A0A087X4T4_POEFO Loading...

Carbohydrate deacetylase

Probably catalyzes the deacetylation of acetylated carbohydrates an important step in the degradation of oligosaccharides.

AlphaFold DB , UniProt , Accession A0A087X4T4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 310 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M54.2Low86.6Confident233 Ų23362 Ų62100%1.14832%0.319SS*.  0143.10-67.7-165.9-83.900107.8
2P66.4Low87.6Confident126 Ų12656.8 Ų56.882%0.81829%0.292SS*.PPolyproline II helixtrans-58.8150.2173.225.5-32.1000110.4
3L75.9Confident88.4Confident137 Ų13752.8 Ų52.872%0.71727%0.272SS*.PPolyproline II helixtrans-60.9142.7175.6-73.6165.2000110.2
4P84.2Confident89.1Confident26 Ų2649.4 Ų49.417%0.16925%0.254CS..PPolyproline II helixtrans-65.3148.8179.428.6-35.6000111.3L7 V248 Q303P4-L7 HydrophobicContact CG-CD2 4.15Å; P4-L7 HydrophobicContact CG-CG 4.38Å; P4-V248 HydrophobicContact CG-CG1 4.27Å; P4-Q303 HydrophobicContact CB-CB 3.65Å; P4-Q303 HydrophobicContact CG-CB 4.19Å
5R88Confident89.7Confident124 Ų12446.1 Ų46.147%0.46824%0.237SC..SBendtrans-84.9-30.3171-64.6174.166.7-163.3-0.6111.2L229 I249 G301R5-L229 HydrophobicContact CB-CD2 4.1Å; R5-I249 PolarHBondContact O-N 3.43Å; R5-G301 PolarHBondContact N-O 3.44Å
6L93.1Very high90.2Very high0 Ų043.3 Ų43.30%022%0.223CC..EExtended strand (participates in β ladder)trans-137.3125.2-177.4-171.271.8000109.5M8 L225 L229 I249 A251 G301 V302 Q303L6-M8 HydrophobicContact CD2-CB 4.22Å; L6-M8 HydrophobicContact CD2-SD 4.03Å; L6-M8 HydrophobicContact CG-CB 4.34Å; L6-L225 HydrophobicContact CD2-CD2 3.66Å; L6-L229 HydrophobicContact CB-CD2 4.45Å; L6-I249 CarbonylContact C-O 3.58Å; L6-I249 WeakPolarHBondContact CA-O 3.38Å; L6-I249 HydrophobicContact CD1-CB 3.62Å; L6-I249 HydrophobicContact CD1-CG2 3.54Å; L6-A251 HydrophobicContact CD1-CB 3.77Å; L6-A251 HydrophobicContact CD2-CB 4.33Å; L6-A251 HydrophobicContact CG-CB 4.27Å; L6-G301 PolarHBondContact N-O 3.09Å; L6-V302 HydrophobicContact CB-CG2 4.27Å; L6-V302 HydrophobicContact CD2-CG1 4.23Å; L6-V302 HydrophobicContact CD2-CG2 3.87Å; L6-V302 WeakPolarHBondContact O-CA 2.86Å; L6-Q303 PolarHBondContact O-N 3.45Å
7L96.4Very high90.5Very high36 Ų3640.8 Ų40.819%0.18821%0.21CC..EExtended strand (participates in β ladder)trans-93.4116.5162.4-75.5168.8000107.5P4 V248 I249 T250 A251 Q303 L310P4-L7 HydrophobicContact CG-CD2 4.15Å; P4-L7 HydrophobicContact CG-CG 4.38Å; L7-V248 HydrophobicContact CB-CG1 4.24Å; L7-V248 HydrophobicContact CD1-CG1 3.98Å; L7-V248 HydrophobicContact CG-CG1 3.71Å; L7-I249 PolarHBondContact N-O 2.81Å; L7-T250 CarbonylContact O-C 3.56Å; L7-T250 VanDerWaalsContact O-CA 3.3Å; L7-T250 WeakPolarHBondContact O-CA 3.39Å; L7-A251 PolarHBondContact O-N 3.02Å; L7-Q303 WeakPolarHBondContact CA-O 3.33Å; L7-Q303 HydrophobicContact CD2-CB 4.03Å; L7-Q303 HydrophobicContact CD2-CG 3.98Å; L7-L310 HydrophobicContact CB-CD2 4.37Å
8M97.9Very high90.8Very high0 Ų038.5 Ų38.50%020%0.198CC..EExtended strand (participates in β ladder)trans-120.5129.3-172.8-169.3167.47400111.2L6 V10 L225 A251 L253 Y297 V302 Q303 L304 C305L6-M8 HydrophobicContact CD2-CB 4.22Å; L6-M8 HydrophobicContact CD2-SD 4.03Å; L6-M8 HydrophobicContact CG-CB 4.34Å; M8-V10 HydrophobicContact CE-CG2 3.58Å; M8-V10 HydrophobicContact CG-CG2 4.22Å; M8-L225 HydrophobicContact CE-CD2 4.46Å; M8-L225 HydrophobicContact SD-CD2 3.89Å; M8-A251 CarbonylContact C-O 3.49Å; M8-A251 WeakPolarHBondContact CA-O 3.41Å; M8-A251 HydrophobicContact CG-CB 4.27Å; M8-L253 HydrophobicContact CE-CD2 4.21Å; M8-L253 HydrophobicContact CG-CB 4.34Å; M8-L253 HydrophobicContact SD-CB 3.99Å; M8-Y297 HydrophobicContact CE-CD1 4.15Å; M8-Y297 HydrophobicContact CE-CE1 3.63Å; M8-Y297 HydrophobicContact CE-CE2 4.12Å; M8-V302 HydrophobicContact CB-CG1 3.68Å; M8-V302 HydrophobicContact CE-CG1 3.66Å; M8-V302 HydrophobicContact SD-CG1 4.2Å; M8-Q303 PolarHBondContact N-O 2.87Å; M8-L304 HydrophobicContact CB-CD2 4.28Å; M8-L304 HydrophobicContact CE-CD2 3.81Å; M8-L304 CarbonylContact O-C 3.55Å; M8-L304 VanDerWaalsContact O-CA 3.29Å; M8-L304 WeakPolarHBondContact O-CA 3.25Å; M8-C305 PolarHBondContact O-N 3.37Å
9V98.6Very high91Very high0 Ų039.4 Ų39.40%021%0.207CC..EExtended strand (participates in β ladder)trans-92.2120.1165.9-174.50000107.4N36 A251 E252 L253 C305 F307 L310V9-N36 HydrophobicContact CG1-CB 3.47Å; V9-N36 VanDerWaalsContact CG1-CB 3.47Å; V9-A251 PolarHBondContact N-O 2.95Å; V9-E252 CarbonylContact O-C 3.58Å; V9-E252 VanDerWaalsContact O-CA 3.28Å; V9-E252 WeakPolarHBondContact O-CA 3.45Å; V9-L253 PolarHBondContact O-N 3.11Å; V9-C305 WeakPolarHBondContact CA-O 3.5Å; V9-F307 HydrophobicContact CB-CE2 4.47Å; V9-F307 HydrophobicContact CG1-CD2 3.81Å; V9-F307 HydrophobicContact CG1-CE2 3.72Å; V9-F307 HydrophobicContact CG1-CG 4.46Å; V9-F307 HydrophobicContact CG1-CZ 4.31Å; V9-F307 HydrophobicContact CG2-CG 4.48Å; V9-L310 HydrophobicContact CG2-CD1 3.68Å; V9-L310 HydrophobicContact CG2-CG 4.25Å
10V98.8Very high91.3Very high0 Ų042.3 Ų42.30%022%0.215CC..EExtended strand (participates in β ladder)trans-102.9108.2172.3-175.10000107.3M8 I34 S35 N36 L253 V255 L304M8-V10 HydrophobicContact CE-CG2 3.58Å; M8-V10 HydrophobicContact CG-CG2 4.22Å; V10-I34 HydrophobicContact CB-CB 4.41Å; V10-I34 HydrophobicContact CG1-CB 4.12Å; V10-I34 HydrophobicContact CG1-CG2 3.72Å; V10-S35 PolarHBondContact N-OG 3.16Å; V10-S35 PolarHBondContact O-N 2.85Å; V10-N36 PolarHBondContact O-N 3.49Å; V10-L253 CarbonylContact C-O 3.16Å; V10-L253 WeakPolarHBondContact CA-O 3.44Å; V10-L253 HydrophobicContact CG1-CB 4.48Å; V10-L253 HydrophobicContact CG1-CD2 4.25Å; V10-L253 HydrophobicContact CG1-CG 4.39Å; V10-L253 HydrophobicContact CG2-CB 4.23Å; V10-L253 HydrophobicContact CG2-CD2 4.28Å; V10-V255 HydrophobicContact CG1-CG1 4.14Å; V10-V255 HydrophobicContact CG1-CG2 3.84Å; V10-L304 HydrophobicContact CG2-CD2 3.66Å
11T98.8Very high91.5Very high0 Ų040.3 Ų40.30%021%0.205CC..EExtended strand (participates in β ladder)trans-99.7114.8-172.5-56.80000110.3D13 N36 S38 E252 L253 V255T11-D13 WeakPolarHBondContact CG2-OD1 3.33Å; T11-D13 PolarHBondContact O-N 3.01Å; T11-N36 CarbonylContact C-O 3.54Å; T11-N36 WeakPolarHBondContact CA-O 3.49Å; T11-N36 PolarHBondContact OG1-ND2 2.96Å; T11-S38 VanDerWaalsContact CG2-OG 3.22Å; T11-S38 WeakPolarHBondContact CG2-OG 3.49Å; T11-E252 WeakPolarHBondContact CB-OE1 3.39Å; T11-E252 PolarHBondContact OG1-OE1 3.33Å; T11-L253 PolarHBondContact N-O 3.02Å; T11-V255 VanDerWaalsContact O-CG2 3.28Å; T11-V255 WeakPolarHBondContact O-CG2 3.39Å; T11-V255 PolarHBondContact O-N 2.77Å
12G98.6Very high93.6Very high0 Ų029.2 Ų29.20%015%0.15CC..EExtended strand (participates in β ladder)trans-76.8108167.100000111.1N36 V37 S38G12-N36 PolarHBondContact N-O 3.18Å; G12-V37 WeakPolarHBondContact O-CA 3.3Å; G12-S38 PolarHBondContact O-N 2.88Å
13D98.6Very high95.1Very high4 Ų427 Ų272%0.02113%0.129CC..EExtended strand (participates in β ladder)trans-80.5158.2179.6-77.712.1000112T11 H63 R160 M254 V255T11-D13 WeakPolarHBondContact CG2-OD1 3.33Å; T11-D13 PolarHBondContact O-N 3.01Å; D13-H63 IonicContact OD2-CE1 2.86Å; D13-H63 PolarHBondContact OD2-CE1 3.29Å; D13-H63 IonicContact OD2-NE2 3.79Å; D13-R160 IonicContact OD1-CZ 3.38Å; D13-R160 IonicContact OD1-NH1 2.91Å; D13-R160 PolarHBondContact OD1-NH1 2.79Å; D13-R160 IonicContact OD1-NH2 3.03Å; D13-R160 PolarHBondContact OD1-NH2 2.82Å; D13-R160 IonicContact OD2-CZ 2.96Å; D13-R160 IonicContact OD2-NH1 3.74Å; D13-R160 PolarHBondContact OD2-NH1 2.71Å; D13-R160 IonicContact OD2-NH2 3.18Å; D13-R160 PolarHBondContact OD2-NH2 3.47Å; D13-M254 VanDerWaalsContact OD2-CG 3.27Å; D13-M254 WeakPolarHBondContact OD2-CG 3.44Å; D13-V255 PolarHBondContact N-O 3.25Å
14D97.4Very high96.1Very high6 Ų620.4 Ų20.43%0.0329%0.094CC..EExtended strand (participates in β ladder)trans63.131.5-179.4-48.1-38.3000115.9G16 Y17 R21 L40 H63 H134 H256 R281D14-G16 PolarHBondContact O-N 3.31Å; D14-Y17 WeakPolarHBondContact O-CB 3.16Å; D14-Y17 PolarHBondContact O-N 3.43Å; D14-R21 VanDerWaalsContact O-CD 3.26Å; D14-R21 WeakPolarHBondContact O-CD 3.44Å; D14-R21 IonicContact OD2-NH1 2.62Å; D14-R21 PolarHBondContact OD2-NH1 2.87Å; D14-L40 HydrophobicContact CB-CD1 3.78Å; D14-H63 IonicContact OD1-CD2 3.46Å; D14-H63 PolarHBondContact OD1-CD2 2.81Å; D14-H63 IonicContact OD1-NE2 3.76Å; D14-H63 PolarHBondContact OD1-NE2 2.95Å; D14-H134 IonicContact OD1-CE1 2.66Å; D14-H134 PolarHBondContact OD1-CE1 2.85Å; D14-H134 VanDerWaalsContact OD1-CE1 3.22Å; D14-H134 IonicContact OD1-ND1 3.85Å; D14-H134 PolarHBondContact OD1-ND1 2.74Å; D14-H256 IonicContact OD2-CD2 3.75Å; D14-R281 IonicContact OD2-CZ 3.68Å; D14-R281 IonicContact OD2-NH2 3.87Å; D14-R281 PolarHBondContact OD2-NH2 3.2Å
15F98.4Very high96.8Very high0 Ų019.2 Ų19.20%09%0.086CC..EExtended strand (participates in β ladder)trans-62.8138.2169.9-164.3-139.5000109.6N22 I25 V26 V37 S38 L39 L40 A49 L52 A53 I60F15-N22 HydrophobicContact CD2-CB 4.26Å; F15-N22 WeakPolarHBondContact CD2-OD1 3.42Å; F15-N22 HydrophobicContact CE2-CB 3.79Å; F15-I25 HydrophobicContact CB-CD1 4Å; F15-I25 HydrophobicContact CD2-CB 4.01Å; F15-I25 HydrophobicContact CD2-CD1 3.88Å; F15-I25 HydrophobicContact CD2-CG2 3.83Å; F15-I25 HydrophobicContact CE2-CB 4.29Å; F15-I25 HydrophobicContact CE2-CG2 4.14Å; F15-I25 HydrophobicContact CG-CD1 4.38Å; F15-I25 HydrophobicContact CG-CG2 4.35Å; F15-V26 HydrophobicContact CE2-CG2 4.29Å; F15-V26 HydrophobicContact CZ-CG2 4.28Å; F15-V37 HydrophobicContact CB-CB 4.21Å; F15-V37 HydrophobicContact CB-CG2 4.45Å; F15-V37 HydrophobicContact CD1-CB 4.19Å; F15-V37 HydrophobicContact CD1-CG2 3.6Å; F15-V37 HydrophobicContact CE1-CG2 4.09Å; F15-V37 HydrophobicContact CG-CB 4.36Å; F15-V37 HydrophobicContact CG-CG2 4.25Å; F15-S38 WeakPolarHBondContact CB-O 3.23Å; F15-S38 PolarHBondContact N-O 3.4Å; F15-L39 HydrophobicContact CD1-CD1 4.31Å; F15-L39 CarbonylContact O-C 3.5Å; F15-L39 WeakPolarHBondContact O-CA 3.39Å; F15-L39 WeakPolarHBondContact O-CD1 3.43Å; F15-L40 PolarHBondContact O-N 2.95Å; F15-A49 HydrophobicContact CD1-CB 3.69Å; F15-A49 HydrophobicContact CD2-CB 3.97Å; F15-A49 VanDerWaalsContact CE1-C 3.49Å; F15-A49 HydrophobicContact CE1-CB 3.59Å; F15-A49 WeakPolarHBondContact CE1-O 3.46Å; F15-A49 HydrophobicContact CE2-CB 3.89Å; F15-A49 HydrophobicContact CG-CB 3.88Å; F15-A49 HydrophobicContact CZ-CB 3.7Å; F15-A49 VanDerWaalsContact CZ-O 3.22Å; F15-A49 WeakPolarHBondContact CZ-O 3.48Å; F15-L52 HydrophobicContact CZ-CB 3.99Å; F15-A53 HydrophobicContact CE1-CB 4Å; F15-I60 HydrophobicContact CD1-CD1 4.02Å; F15-I60 HydrophobicContact CE1-CD1 4.17Å
16G97.6Very high97.3Very high0 Ų013.3 Ų13.30%06%0.064CC..THydrogen-bonded Turntrans96.5-11.1-173.100000115.2D14 C18 N22 A43 A45 A46D14-G16 PolarHBondContact O-N 3.31Å; G16-C18 PolarHBondContact O-N 3.42Å; G16-N22 VanDerWaalsContact CA-OD1 3.27Å; G16-N22 WeakPolarHBondContact CA-OD1 3.4Å; G16-N22 PolarHBondContact N-OD1 2.87Å; G16-A43 WeakPolarHBondContact O-CB 3.29Å; G16-A45 CarbonylContact O-C 3.45Å; G16-A45 VanDerWaalsContact O-CA 3.22Å; G16-A45 WeakPolarHBondContact O-CA 3.46Å; G16-A45 WeakPolarHBondContact O-CB 3.26Å; G16-A45 PolarHBondContact O-N 2.93Å; G16-A46 PolarHBondContact O-N 3.09Å
17Y95.9Very high97.6Very high1 Ų115.1 Ų15.10%0.0047%0.074CC..SBendtrans-59.3-48.1-174.5-159.9-92.4000114.2D14 R21 L40 S44 E68 G266 G267 P272 S276D14-Y17 WeakPolarHBondContact O-CB 3.16Å; D14-Y17 PolarHBondContact O-N 3.43Å; Y17-R21 VanDerWaalsContact CB-CZ 3.47Å; Y17-L40 HydrophobicContact CD2-CD1 3.78Å; Y17-S44 PolarHBondContact O-OG 2.96Å; Y17-E68 WeakPolarHBondContact CE2-OE1 3.23Å; Y17-E68 WeakPolarHBondContact CE2-OE2 3.48Å; Y17-E68 PolarHBondContact OH-OE1 3.22Å; Y17-E68 PolarHBondContact OH-OE2 3.25Å; Y17-G266 WeakPolarHBondContact O-CA 3.46Å; Y17-G267 VanDerWaalsContact CD1-N 3.29Å; Y17-G267 VanDerWaalsContact CE1-CA 3.45Å; Y17-G267 PolarHBondContact O-N 3.15Å; Y17-P272 HydrophobicContact CE1-CB 4.04Å; Y17-P272 WeakPolarHBondContact OH-CA 3.33Å; Y17-S276 WeakPolarHBondContact CE1-OG 3.4Å; Y17-S276 PolarHBondContact OH-OG 2.77Å
18C95.3Very high97.7Very high0 Ų013.4 Ų13.40%07%0.065CC..  trans-159.9162.217771.20000110.1G16 R20 R21 N22G16-C18 PolarHBondContact O-N 3.42Å; C18-R20 VanDerWaalsContact C-N 3.3Å; C18-R20 PolarHBondContact O-N 3.16Å; C18-R21 PolarHBondContact O-N 2.9Å; C18-R21 VanDerWaalsContact SG-CB 3.56Å; C18-R21 PolarHBondContact SG-N 3.07Å; C18-N22 VanDerWaalsContact O-CG 3.24Å; C18-N22 PolarHBondContact O-N 3.04Å; C18-N22 PolarHBondContact O-OD1 2.84Å
19P95.8Very high97.7Very high56 Ų5615.5 Ų15.536%0.3647%0.074SC..Hα-helixtrans-58.5-39.3-178.1-25.935.4000113.3N22 Q23 A45 E48P19-N22 WeakPolarHBondContact O-CB 3.41Å; P19-N22 PolarHBondContact O-N 3.26Å; P19-Q23 PolarHBondContact O-N 2.94Å; P19-A45 HydrophobicContact CG-CB 4.29Å; P19-E48 WeakPolarHBondContact CA-OE2 3.28Å; P19-E48 WeakPolarHBondContact CB-OE2 3.39Å; P19-E48 WeakPolarHBondContact CG-OE2 3.28Å
20R95.4Very high97.7Very high97 Ų9720.5 Ų20.537%0.36610%0.1SC..Hα-helixtrans-64.5-43178.5-65.9-177.666.991.21.8112.1C18 Q23 G24 Y259 P260 H262C18-R20 VanDerWaalsContact C-N 3.3Å; C18-R20 PolarHBondContact O-N 3.16Å; R20-Q23 PolarHBondContact O-N 3.24Å; R20-G24 PolarHBondContact O-N 3.47Å; R20-G24 VanDerWaalsContact O-N 3.09Å; R20-Y259 WeakPolarHBondContact O-CD2 3.47Å; R20-P260 PolarHBondContact NE-O 3.13Å; R20-P260 VanDerWaalsContact NE-O 3.07Å; R20-H262 VanDerWaalsContact CD-CD2 3.5Å; R20-H262 WeakPolarHBondContact CD-CD2 3.34Å; R20-H262 PolarHBondContact NH1-NE2 3.19Å
21R95.4Very high97.6Very high0 Ų022.4 Ų22.40%012%0.116CC..Hα-helixtrans-65.3-43.2175.6-170.2178.1-55.7-175.44.8110.9D14 Y17 C18 Q23 G24 I25 S261 S276D14-R21 VanDerWaalsContact O-CD 3.26Å; D14-R21 WeakPolarHBondContact O-CD 3.44Å; D14-R21 IonicContact OD2-NH1 2.62Å; D14-R21 PolarHBondContact OD2-NH1 2.87Å; Y17-R21 VanDerWaalsContact CB-CZ 3.47Å; C18-R21 PolarHBondContact O-N 2.9Å; C18-R21 VanDerWaalsContact SG-CB 3.56Å; C18-R21 PolarHBondContact SG-N 3.07Å; R21-Q23 VanDerWaalsContact C-N 3.33Å; R21-Q23 PolarHBondContact O-N 2.93Å; R21-G24 PolarHBondContact O-N 3.47Å; R21-I25 HydrophobicContact CG-CD1 3.97Å; R21-I25 WeakPolarHBondContact O-CG1 3.3Å; R21-I25 PolarHBondContact O-N 3.45Å; R21-S261 PolarHBondContact NH2-OG 2.88Å; R21-S276 VanDerWaalsContact NH2-CA 3.33Å; R21-S276 PolarHBondContact NH2-OG 3.4Å
22N98.1Very high97.5Very high0 Ų023.9 Ų23.90%013%0.132CC..Hα-helixtrans-56.1-48.5176.1-68.6-13.4000111.5F15 G16 C18 P19 G24 I25 V26 A45 L52F15-N22 HydrophobicContact CD2-CB 4.26Å; F15-N22 WeakPolarHBondContact CD2-OD1 3.42Å; F15-N22 HydrophobicContact CE2-CB 3.79Å; G16-N22 VanDerWaalsContact CA-OD1 3.27Å; G16-N22 WeakPolarHBondContact CA-OD1 3.4Å; G16-N22 PolarHBondContact N-OD1 2.87Å; C18-N22 VanDerWaalsContact O-CG 3.24Å; C18-N22 PolarHBondContact O-N 3.04Å; C18-N22 PolarHBondContact O-OD1 2.84Å; P19-N22 WeakPolarHBondContact O-CB 3.41Å; P19-N22 PolarHBondContact O-N 3.26Å; N22-G24 PolarHBondContact O-N 2.9Å; N22-I25 PolarHBondContact O-N 3.13Å; N22-V26 WeakPolarHBondContact O-CG2 3.37Å; N22-V26 PolarHBondContact O-N 2.84Å; N22-A45 WeakPolarHBondContact ND2-CB 3.44Å; N22-A45 PolarHBondContact ND2-O 3.18Å; N22-L52 HydrophobicContact CB-CD1 3.83Å
23Q98.3Very high97.4Very high79 Ų7923.9 Ų23.937%0.36913%0.132SC..Hα-helixtrans-60.8-45.5178.8-172.659.453.900111.8P19 R20 R21 I25 V26 D27 Y259P19-Q23 PolarHBondContact O-N 2.94Å; R20-Q23 PolarHBondContact O-N 3.24Å; R21-Q23 VanDerWaalsContact C-N 3.33Å; R21-Q23 PolarHBondContact O-N 2.93Å; Q23-I25 PolarHBondContact O-N 3.4Å; Q23-V26 PolarHBondContact O-N 2.82Å; Q23-D27 PolarHBondContact NE2-OD1 3.23Å; Q23-D27 PolarHBondContact O-N 3.09Å; Q23-Y259 HydrophobicContact CB-CD2 4.48Å; Q23-Y259 HydrophobicContact CG-CE2 4.29Å
24G98.1Very high97.4Very high0 Ų023.9 Ų23.90%013%0.132CC..Hα-helixtrans-63-39.7178.400000113R20 R21 N22 D27 C28 L285R20-G24 PolarHBondContact O-N 3.47Å; R20-G24 VanDerWaalsContact O-N 3.09Å; R21-G24 PolarHBondContact O-N 3.47Å; N22-G24 PolarHBondContact O-N 2.9Å; G24-D27 PolarHBondContact O-N 3.18Å; G24-C28 WeakPolarHBondContact O-CB 3.48Å; G24-C28 PolarHBondContact O-N 3.14Å; G24-L285 WeakPolarHBondContact O-CD1 3.44Å
25I98.6Very high97.5Very high0 Ų024.2 Ų24.20%013%0.134CC..Hα-helixtrans-63.2-43.7174.3-70.6172.4000110.9F15 R21 N22 Q23 C28 F29 I34 V37 P257F15-I25 HydrophobicContact CB-CD1 4Å; F15-I25 HydrophobicContact CD2-CB 4.01Å; F15-I25 HydrophobicContact CD2-CD1 3.88Å; F15-I25 HydrophobicContact CD2-CG2 3.83Å; F15-I25 HydrophobicContact CE2-CB 4.29Å; F15-I25 HydrophobicContact CE2-CG2 4.14Å; F15-I25 HydrophobicContact CG-CD1 4.38Å; F15-I25 HydrophobicContact CG-CG2 4.35Å; R21-I25 HydrophobicContact CG-CD1 3.97Å; R21-I25 WeakPolarHBondContact O-CG1 3.3Å; R21-I25 PolarHBondContact O-N 3.45Å; N22-I25 PolarHBondContact O-N 3.13Å; Q23-I25 PolarHBondContact O-N 3.4Å; I25-C28 WeakPolarHBondContact O-CB 3.32Å; I25-C28 PolarHBondContact O-N 2.89Å; I25-F29 PolarHBondContact O-N 3.42Å; I25-I34 HydrophobicContact CG2-CD1 3.81Å; I25-V37 HydrophobicContact CG2-CB 4.42Å; I25-V37 HydrophobicContact CG2-CG1 3.42Å; I25-V37 VanDerWaalsContact CG2-CG1 3.42Å; I25-P257 HydrophobicContact CG1-CG 4.31Å; I25-P257 VanDerWaalsContact CG1-O 3.23Å; I25-P257 WeakPolarHBondContact CG1-O 3.44Å
26V98.8Very high97.5Very high1 Ų124.3 Ų24.31%0.00614%0.135CC..Hα-helixtrans-61.5-46175.61700000111.2F15 N22 Q23 C28 F29 L30 L52 I58F15-V26 HydrophobicContact CE2-CG2 4.29Å; F15-V26 HydrophobicContact CZ-CG2 4.28Å; N22-V26 WeakPolarHBondContact O-CG2 3.37Å; N22-V26 PolarHBondContact O-N 2.84Å; Q23-V26 PolarHBondContact O-N 2.82Å; V26-C28 VanDerWaalsContact C-N 3.26Å; V26-C28 PolarHBondContact O-N 2.85Å; V26-F29 PolarHBondContact O-N 3.01Å; V26-F29 VanDerWaalsContact O-N 3.16Å; V26-L30 HydrophobicContact CG1-CD1 3.8Å; V26-L30 HydrophobicContact CG1-CG 4.18Å; V26-L30 VanDerWaalsContact O-CG 3.32Å; V26-L30 WeakPolarHBondContact O-CG 3.15Å; V26-L30 PolarHBondContact O-N 3.01Å; V26-L52 HydrophobicContact CG2-CB 3.96Å; V26-L52 HydrophobicContact CG2-CD1 4.15Å; V26-L52 HydrophobicContact CG2-CD2 4.27Å; V26-L52 HydrophobicContact CG2-CG 4.36Å; V26-I58 HydrophobicContact CG2-CD1 4.01Å
27D98.6Very high97.5Very high38 Ų3824.3 Ų24.320%0.20314%0.135CC..Hα-helixtrans-60.7-39.1178-67.7-18.6000111.4Q23 G24 A31 Y259Q23-D27 PolarHBondContact NE2-OD1 3.23Å; Q23-D27 PolarHBondContact O-N 3.09Å; G24-D27 PolarHBondContact O-N 3.18Å; D27-A31 WeakPolarHBondContact O-CB 3.26Å; D27-A31 PolarHBondContact O-N 3.29Å; D27-A31 VanDerWaalsContact O-N 3.09Å; D27-Y259 WeakPolarHBondContact OD2-CE2 3.26Å; D27-Y259 PolarHBondContact OD2-OH 3.32Å
28C98.1Very high97.7Very high0 Ų024.3 Ų24.30%014%0.135CC..Hα-helixtrans-64.9-41.8175.8-156.10000112.2G24 I25 V26 A31 G32 G33 I34 P257 L285 L288G24-C28 WeakPolarHBondContact O-CB 3.48Å; G24-C28 PolarHBondContact O-N 3.14Å; I25-C28 WeakPolarHBondContact O-CB 3.32Å; I25-C28 PolarHBondContact O-N 2.89Å; V26-C28 VanDerWaalsContact C-N 3.26Å; V26-C28 PolarHBondContact O-N 2.85Å; C28-A31 PolarHBondContact O-N 2.95Å; C28-G32 PolarHBondContact O-N 3.12Å; C28-G33 PolarHBondContact O-N 3.2Å; C28-I34 HydrophobicContact CB-CD1 4.21Å; C28-I34 HydrophobicContact CB-CG1 4.25Å; C28-I34 HydrophobicContact CB-CG2 4.49Å; C28-P257 HydrophobicContact CB-CB 4.06Å; C28-P257 HydrophobicContact CB-CG 4.17Å; C28-L285 HydrophobicContact CB-CD1 3.6Å; C28-L288 WeakPolarHBondContact SG-CB 3.44Å
29F98.6Very high97.8Very high44 Ų4424.3 Ų24.319%0.19314%0.135CC..Hα-helixtrans-66.3-46.2176.6177.8-96.6000111.7I25 V26 A31 G32 I34 I58I25-F29 PolarHBondContact O-N 3.42Å; V26-F29 PolarHBondContact O-N 3.01Å; V26-F29 VanDerWaalsContact O-N 3.16Å; F29-A31 PolarHBondContact O-N 2.98Å; F29-G32 PolarHBondContact O-N 2.98Å; F29-I34 HydrophobicContact CB-CD1 4.1Å; F29-I34 HydrophobicContact CB-CG1 3.76Å; F29-I34 HydrophobicContact CD2-CG1 4.29Å; F29-I34 WeakPolarHBondContact CD2-O 3.36Å; F29-I58 HydrophobicContact CB-CD1 4.19Å; F29-I58 HydrophobicContact CD1-CB 4.47Å; F29-I58 HydrophobicContact CD1-CD1 3.94Å; F29-I58 HydrophobicContact CD1-CG1 3.61Å; F29-I58 HydrophobicContact CD1-CG2 4.48Å; F29-I58 HydrophobicContact CD2-CG1 4.42Å; F29-I58 HydrophobicContact CD2-CG2 3.77Å; F29-I58 HydrophobicContact CE1-CB 4.38Å; F29-I58 HydrophobicContact CE1-CG1 3.74Å; F29-I58 HydrophobicContact CE2-CB 4.41Å; F29-I58 HydrophobicContact CE2-CG2 3.94Å; F29-I58 HydrophobicContact CG-CD1 4.05Å; F29-I58 HydrophobicContact CG-CG1 3.96Å; F29-I58 HydrophobicContact CG-CG2 4.04Å; F29-I58 HydrophobicContact CZ-CB 4.34Å; F29-I58 HydrophobicContact CZ-CG1 4.2Å; F29-I58 HydrophobicContact CZ-CG2 4.37Å
30L98.3Very high98Very high104 Ų10421.6 Ų21.655%0.54512%0.117SC..Hα-helixtrans-63.9-26.5179.3-68.4177.6000112.7V26 G32V26-L30 HydrophobicContact CG1-CD1 3.8Å; V26-L30 HydrophobicContact CG1-CG 4.18Å; V26-L30 VanDerWaalsContact O-CG 3.32Å; V26-L30 WeakPolarHBondContact O-CG 3.15Å; V26-L30 PolarHBondContact O-N 3.01Å; L30-G32 VanDerWaalsContact C-N 3.29Å
31A97.4Very high98.1Very high40 Ų4017.2 Ų17.233%0.33110%0.101SC..THydrogen-bonded Turntrans-81.1-4.8172.400000114.1D27 C28 F29 G33 R289D27-A31 WeakPolarHBondContact O-CB 3.26Å; D27-A31 PolarHBondContact O-N 3.29Å; D27-A31 VanDerWaalsContact O-N 3.09Å; C28-A31 PolarHBondContact O-N 2.95Å; F29-A31 PolarHBondContact O-N 2.98Å; A31-G33 VanDerWaalsContact C-N 3.3Å; A31-R289 HydrophobicContact CB-CB 4.27Å; A31-R289 HydrophobicContact CB-CG 3.69Å
32G96.8Very high98.2Very high32 Ų3218.2 Ų18.233%0.3311%0.107SC..THydrogen-bonded Turntrans76.313.6-177.300000114.6C28 F29 L30 L304C28-G32 PolarHBondContact O-N 3.12Å; F29-G32 PolarHBondContact O-N 2.98Å; L30-G32 VanDerWaalsContact C-N 3.29Å; G32-L304 WeakPolarHBondContact O-CD1 3.42Å
33G96.8Very high98Very high0 Ų018.6 Ų18.60%011%0.11CC..SBendtrans-78.5-26.6179.300000113.5C28 A31 L288C28-G33 PolarHBondContact O-N 3.2Å; A31-G33 VanDerWaalsContact C-N 3.3Å; G33-L288 VanDerWaalsContact CA-O 3.24Å; G33-L288 WeakPolarHBondContact CA-O 3.47Å
34I98.4Very high97.8Very high4 Ų419 Ų192%0.02112%0.121CC..  trans-127.2157.5173.266.1175.6000110.9V10 I25 C28 F29 V37 V255 P257 L288V10-I34 HydrophobicContact CB-CB 4.41Å; V10-I34 HydrophobicContact CG1-CB 4.12Å; V10-I34 HydrophobicContact CG1-CG2 3.72Å; I25-I34 HydrophobicContact CG2-CD1 3.81Å; C28-I34 HydrophobicContact CB-CD1 4.21Å; C28-I34 HydrophobicContact CB-CG1 4.25Å; C28-I34 HydrophobicContact CB-CG2 4.49Å; F29-I34 HydrophobicContact CB-CD1 4.1Å; F29-I34 HydrophobicContact CB-CG1 3.76Å; F29-I34 HydrophobicContact CD2-CG1 4.29Å; F29-I34 WeakPolarHBondContact CD2-O 3.36Å; I34-V37 HydrophobicContact CD1-CG1 3.9Å; I34-V255 HydrophobicContact CG2-CG2 3.7Å; I34-P257 HydrophobicContact CG2-CG 4.28Å; I34-L288 HydrophobicContact CG2-CD1 4.08Å
35S98.4Very high97.8Very high13 Ų1319.3 Ų19.39%0.09112%0.124CC..SBendtrans-121.8-8.7-179.361.20000114V10 P59 C305V10-S35 PolarHBondContact N-OG 3.16Å; V10-S35 PolarHBondContact O-N 2.85Å; S35-P59 WeakPolarHBondContact O-CD 3.33Å; S35-P59 VanDerWaalsContact O-CG 3.28Å; S35-P59 WeakPolarHBondContact O-CG 3.2Å; S35-C305 VanDerWaalsContact CB-O 3.25Å; S35-C305 WeakPolarHBondContact CB-O 3.21Å; S35-C305 PolarHBondContact OG-O 3.19Å
36N98.6Very high97.7Very high2 Ų219.5 Ų19.51%0.01113%0.126CC..EExtended strand (participates in β ladder)trans-154159.5-175.4-17072000110.5V9 V10 T11 G12 P59 H130 F307V9-N36 HydrophobicContact CG1-CB 3.47Å; V9-N36 VanDerWaalsContact CG1-CB 3.47Å; V10-N36 PolarHBondContact O-N 3.49Å; T11-N36 CarbonylContact C-O 3.54Å; T11-N36 WeakPolarHBondContact CA-O 3.49Å; T11-N36 PolarHBondContact OG1-ND2 2.96Å; G12-N36 PolarHBondContact N-O 3.18Å; N36-P59 CarbonylContact C-O 3.59Å; N36-P59 WeakPolarHBondContact CA-O 3.33Å; N36-P59 WeakPolarHBondContact OD1-CB 3.48Å; N36-P59 PolarHBondContact OD1-O 3.45Å; N36-H130 PolarHBondContact ND2-CE1 3.01Å; N36-H130 PolarHBondContact ND2-ND1 3.12Å; N36-F307 WeakPolarHBondContact ND2-CD2 3.39Å; N36-F307 WeakPolarHBondContact ND2-CE2 3.3Å
37V98.8Very high97.7Very high0 Ų024.5 Ų24.50%015%0.147CC..EExtended strand (participates in β ladder)trans-137.8151.5175.2-59.20000111.9G12 F15 I25 I34 I58 P59 I60 G61 H130G12-V37 WeakPolarHBondContact O-CA 3.3Å; F15-V37 HydrophobicContact CB-CB 4.21Å; F15-V37 HydrophobicContact CB-CG2 4.45Å; F15-V37 HydrophobicContact CD1-CB 4.19Å; F15-V37 HydrophobicContact CD1-CG2 3.6Å; F15-V37 HydrophobicContact CE1-CG2 4.09Å; F15-V37 HydrophobicContact CG-CB 4.36Å; F15-V37 HydrophobicContact CG-CG2 4.25Å; I25-V37 HydrophobicContact CG2-CB 4.42Å; I25-V37 HydrophobicContact CG2-CG1 3.42Å; I25-V37 VanDerWaalsContact CG2-CG1 3.42Å; I34-V37 HydrophobicContact CD1-CG1 3.9Å; V37-I58 HydrophobicContact CB-CG2 4.46Å; V37-I58 HydrophobicContact CG1-CG2 3.8Å; V37-I58 HydrophobicContact CG2-CG2 3.86Å; V37-P59 PolarHBondContact N-O 3.39Å; V37-I60 HydrophobicContact CG2-CB 3.91Å; V37-I60 HydrophobicContact CG2-CD1 4.11Å; V37-I60 HydrophobicContact CG2-CG1 3.84Å; V37-I60 WeakPolarHBondContact O-CA 3.21Å; V37-G61 PolarHBondContact O-N 3.38Å; V37-H130 PolarHBondContact O-CE1 3.23Å
38S98.6Very high97.7Very high0 Ų026.2 Ų26.20%015%0.154CC..EExtended strand (participates in β ladder)trans-110.8121.9172.8-64.40000110.1T11 G12 F15 H130 D132T11-S38 VanDerWaalsContact CG2-OG 3.22Å; T11-S38 WeakPolarHBondContact CG2-OG 3.49Å; G12-S38 PolarHBondContact O-N 2.88Å; F15-S38 WeakPolarHBondContact CB-O 3.23Å; F15-S38 PolarHBondContact N-O 3.4Å; S38-H130 PolarHBondContact OG-NE2 3.11Å; S38-D132 WeakPolarHBondContact CB-OD1 3.45Å; S38-D132 PolarHBondContact OG-OD1 3.47Å; S38-D132 PolarHBondContact OG-OD2 2.68Å
39L98.9Very high97.8Very high0 Ų026.2 Ų26.20%015%0.154CC..EExtended strand (participates in β ladder)trans-92.7122.6-174.4178.866.5000112.4F15 V41 A46 A49 A50 I60 G61 H63 F120 L123 T124F15-L39 HydrophobicContact CD1-CD1 4.31Å; F15-L39 CarbonylContact O-C 3.5Å; F15-L39 WeakPolarHBondContact O-CA 3.39Å; F15-L39 WeakPolarHBondContact O-CD1 3.43Å; L39-V41 HydrophobicContact CD2-CG1 3.91Å; L39-V41 HydrophobicContact CG-CG1 4.03Å; L39-V41 PolarHBondContact O-N 3.31Å; L39-A46 HydrophobicContact CD1-CB 4.41Å; L39-A49 HydrophobicContact CD1-CB 3.62Å; L39-A50 HydrophobicContact CD2-CB 4.43Å; L39-I60 HydrophobicContact CB-CD1 3.98Å; L39-I60 HydrophobicContact CB-CG1 4.12Å; L39-I60 HydrophobicContact CD2-CD1 4.09Å; L39-I60 HydrophobicContact CG-CD1 4.46Å; L39-G61 WeakPolarHBondContact CB-O 3.42Å; L39-G61 PolarHBondContact N-O 3.35Å; L39-H63 WeakPolarHBondContact O-CB 3.42Å; L39-H63 PolarHBondContact O-N 3.34Å; L39-F120 HydrophobicContact CB-CD2 4.45Å; L39-F120 HydrophobicContact CB-CE2 4.2Å; L39-F120 HydrophobicContact CD2-CD2 4.01Å; L39-F120 HydrophobicContact CD2-CE2 4.09Å; L39-L123 HydrophobicContact CD2-CD1 4.31Å; L39-T124 HydrophobicContact CD2-CG2 4.42Å
40L98.6Very high97.8Very high0 Ų024.4 Ų24.40%015%0.147CC..  trans-78.2100.9164.7-71.4167.9000109.6D14 F15 Y17 N42 A43 A46 H63 N65 H134D14-L40 HydrophobicContact CB-CD1 3.78Å; F15-L40 PolarHBondContact O-N 2.95Å; Y17-L40 HydrophobicContact CD2-CD1 3.78Å; L40-N42 VanDerWaalsContact C-N 3.31Å; L40-N42 PolarHBondContact O-N 3.35Å; L40-A43 HydrophobicContact CB-CB 3.68Å; L40-A43 WeakPolarHBondContact O-CB 3.42Å; L40-A43 PolarHBondContact O-N 3.41Å; L40-A46 VanDerWaalsContact O-CB 3.29Å; L40-A46 WeakPolarHBondContact O-CB 3.44Å; L40-H63 HydrophobicContact CD2-CB 4.04Å; L40-H63 HydrophobicContact CG-CB 4.17Å; L40-N65 HydrophobicContact CD2-CB 3.76Å; L40-H134 HydrophobicContact CD2-CB 3.99Å
41V98.4Very high97.8Very high5 Ų523 Ų233%0.0314%0.14CC..THydrogen-bonded Turntrans-75.1-18.1-173.7-66.60000114.6L39 L62 V72 Q116 R119 F120 L123L39-V41 HydrophobicContact CD2-CG1 3.91Å; L39-V41 HydrophobicContact CG-CG1 4.03Å; L39-V41 PolarHBondContact O-N 3.31Å; V41-L62 HydrophobicContact CB-CD1 4.26Å; V41-L62 HydrophobicContact CG1-CD1 3.5Å; V41-L62 VanDerWaalsContact CG1-CD1 3.5Å; V41-L62 HydrophobicContact CG2-CD1 3.78Å; V41-V72 HydrophobicContact CG2-CG2 4.27Å; V41-Q116 HydrophobicContact CG2-CB 3.67Å; V41-Q116 HydrophobicContact CG2-CG 3.74Å; V41-R119 HydrophobicContact CB-CB 4.28Å; V41-R119 HydrophobicContact CB-CG 3.86Å; V41-R119 HydrophobicContact CG2-CB 4.31Å; V41-R119 HydrophobicContact CG2-CG 4.3Å; V41-F120 HydrophobicContact CG1-CB 3.95Å; V41-F120 HydrophobicContact CG1-CD2 4.06Å; V41-L123 HydrophobicContact CB-CD1 4.36Å; V41-L123 HydrophobicContact CG1-CD1 4.27Å
42N96.4Very high97.9Very high21 Ų2121.4 Ų21.411%0.11213%0.126CC..THydrogen-bonded Turntrans-92.9-0.5174.172.2-37.8000113.2L40 N65 E68 T70 V72L40-N42 VanDerWaalsContact C-N 3.31Å; L40-N42 PolarHBondContact O-N 3.35Å; N42-N65 PolarHBondContact ND2-ND2 3.31Å; N42-N65 PolarHBondContact OD1-ND2 2.66Å; N42-E68 PolarHBondContact ND2-O 3.04Å; N42-T70 PolarHBondContact ND2-O 3.02Å; N42-T70 VanDerWaalsContact ND2-O 3.08Å; N42-V72 HydrophobicContact CB-CG2 3.71Å
43A95.6Very high97.9Very high8 Ų820.1 Ų20.17%0.06611%0.112CC..SBendtrans-78.1154.5179.800000113.3G16 L40 A45 A46G16-A43 WeakPolarHBondContact O-CB 3.29Å; L40-A43 HydrophobicContact CB-CB 3.68Å; L40-A43 WeakPolarHBondContact O-CB 3.42Å; L40-A43 PolarHBondContact O-N 3.41Å; A43-A45 VanDerWaalsContact C-N 3.26Å; A43-A45 PolarHBondContact O-N 3.01Å; A43-A46 VanDerWaalsContact O-CB 3.28Å; A43-A46 WeakPolarHBondContact O-CB 3.08Å; A43-A46 PolarHBondContact O-N 3.39Å; A43-A46 VanDerWaalsContact O-N 3.13Å
44S93.9Very high98Very high86 Ų8622.9 Ų22.960%0.60114%0.141SC*.THydrogen-bonded Turntrans-56.9-33.9-173.565.40000114.5Y17 G267Y17-S44 PolarHBondContact O-OG 2.96Å; S44-G267 PolarHBondContact N-O 3.08Å; S44-G267 VanDerWaalsContact N-O 3.13Å
45A96.6Very high98Very high8 Ų830.9 Ų30.97%0.06617%0.171CC..THydrogen-bonded Turntrans-108.821.5-178.100000113.1G16 P19 N22 A43 K47 E48 A49G16-A45 CarbonylContact O-C 3.45Å; G16-A45 VanDerWaalsContact O-CA 3.22Å; G16-A45 WeakPolarHBondContact O-CA 3.46Å; G16-A45 WeakPolarHBondContact O-CB 3.26Å; G16-A45 PolarHBondContact O-N 2.93Å; P19-A45 HydrophobicContact CG-CB 4.29Å; N22-A45 WeakPolarHBondContact ND2-CB 3.44Å; N22-A45 PolarHBondContact ND2-O 3.18Å; A43-A45 VanDerWaalsContact C-N 3.26Å; A43-A45 PolarHBondContact O-N 3.01Å; A45-K47 VanDerWaalsContact C-N 3.31Å; A45-K47 PolarHBondContact O-N 2.86Å; A45-E48 PolarHBondContact O-N 2.77Å; A45-A49 WeakPolarHBondContact O-CB 3.27Å; A45-A49 PolarHBondContact O-N 3.39Å
46A98.2Very high98Very high4 Ų433 Ų333%0.03318%0.179CC..Hα-helixtrans-59.5-38.3-178.400000113.3G16 L39 L40 A43 A49 A50 L123G16-A46 PolarHBondContact O-N 3.09Å; L39-A46 HydrophobicContact CD1-CB 4.41Å; L40-A46 VanDerWaalsContact O-CB 3.29Å; L40-A46 WeakPolarHBondContact O-CB 3.44Å; A43-A46 VanDerWaalsContact O-CB 3.28Å; A43-A46 WeakPolarHBondContact O-CB 3.08Å; A43-A46 PolarHBondContact O-N 3.39Å; A43-A46 VanDerWaalsContact O-N 3.13Å; A46-A49 PolarHBondContact O-N 3.28Å; A46-A50 PolarHBondContact O-N 3.42Å; A46-L123 HydrophobicContact CB-CD1 4.01Å
47K98.4Very high98Very high106 Ų10641 Ų4146%0.46121%0.214SC..Hα-helixtrans-65.8-45.8177.9-179.664.817981.40111.9A45 A49 A50 D51 L123A45-K47 VanDerWaalsContact C-N 3.31Å; A45-K47 PolarHBondContact O-N 2.86Å; K47-A49 VanDerWaalsContact C-N 3.33Å; K47-A50 PolarHBondContact O-N 3.3Å; K47-D51 IonicContact NZ-OD1 3.84Å; K47-D51 PolarHBondContact NZ-OD1 3.48Å; K47-D51 IonicContact NZ-OD2 3.63Å; K47-D51 PolarHBondContact NZ-OD2 3.43Å; K47-D51 PolarHBondContact O-N 3.38Å; K47-L123 HydrophobicContact CB-CD2 4.13Å; K47-L123 HydrophobicContact CD-CD2 3.57Å; K47-L123 HydrophobicContact CG-CD2 4.47Å
48E98.5Very high98Very high73 Ų7341.4 Ų41.434%0.34122%0.216SC..Hα-helixtrans-61.4-44.4176.9-174.1-162.5169.600110.9P19 A45 A50 D51 L52P19-E48 WeakPolarHBondContact CA-OE2 3.28Å; P19-E48 WeakPolarHBondContact CB-OE2 3.39Å; P19-E48 WeakPolarHBondContact CG-OE2 3.28Å; A45-E48 PolarHBondContact O-N 2.77Å; E48-A50 PolarHBondContact O-N 2.9Å; E48-D51 PolarHBondContact O-N 2.99Å; E48-L52 HydrophobicContact CG-CD1 4.04Å; E48-L52 WeakPolarHBondContact O-CB 3.41Å; E48-L52 WeakPolarHBondContact O-CG 3.42Å; E48-L52 PolarHBondContact O-N 2.64Å
49A98.7Very high97.9Very high0 Ų042 Ų420%022%0.22CC..Hα-helixtrans-57.5-47.9175.600000112.1F15 L39 A45 A46 K47 D51 L52 A53F15-A49 HydrophobicContact CD1-CB 3.69Å; F15-A49 HydrophobicContact CD2-CB 3.97Å; F15-A49 VanDerWaalsContact CE1-C 3.49Å; F15-A49 HydrophobicContact CE1-CB 3.59Å; F15-A49 WeakPolarHBondContact CE1-O 3.46Å; F15-A49 HydrophobicContact CE2-CB 3.89Å; F15-A49 HydrophobicContact CG-CB 3.88Å; F15-A49 HydrophobicContact CZ-CB 3.7Å; F15-A49 VanDerWaalsContact CZ-O 3.22Å; F15-A49 WeakPolarHBondContact CZ-O 3.48Å; L39-A49 HydrophobicContact CD1-CB 3.62Å; A45-A49 WeakPolarHBondContact O-CB 3.27Å; A45-A49 PolarHBondContact O-N 3.39Å; A46-A49 PolarHBondContact O-N 3.28Å; K47-A49 VanDerWaalsContact C-N 3.33Å; A49-D51 VanDerWaalsContact C-N 3.32Å; A49-D51 PolarHBondContact O-N 2.98Å; A49-L52 WeakPolarHBondContact O-CB 3.34Å; A49-L52 PolarHBondContact O-N 2.98Å; A49-A53 PolarHBondContact O-N 3.33Å
50A98.8Very high97.9Very high7 Ų742.5 Ų42.56%0.05822%0.222CC..Hα-helixtrans-60-41.2176.200000112.4L39 A46 K47 E48 A53 G54 L123 T124L39-A50 HydrophobicContact CD2-CB 4.43Å; A46-A50 PolarHBondContact O-N 3.42Å; K47-A50 PolarHBondContact O-N 3.3Å; E48-A50 PolarHBondContact O-N 2.9Å; A50-A53 PolarHBondContact O-N 2.93Å; A50-G54 PolarHBondContact O-N 2.62Å; A50-L123 HydrophobicContact CB-CB 3.88Å; A50-T124 HydrophobicContact CB-CG2 4.2Å
51D98.8Very high97.9Very high74 Ų7442.5 Ų42.540%0.39622%0.222SC..Hα-helixtrans-64.5-39.6175.8-70.7-27.6000112.4K47 E48 A49 G54 R55K47-D51 IonicContact NZ-OD1 3.84Å; K47-D51 PolarHBondContact NZ-OD1 3.48Å; K47-D51 IonicContact NZ-OD2 3.63Å; K47-D51 PolarHBondContact NZ-OD2 3.43Å; K47-D51 PolarHBondContact O-N 3.38Å; E48-D51 PolarHBondContact O-N 2.99Å; A49-D51 VanDerWaalsContact C-N 3.32Å; A49-D51 PolarHBondContact O-N 2.98Å; D51-G54 PolarHBondContact O-N 2.94Å; D51-R55 VanDerWaalsContact O-CB 3.31Å; D51-R55 WeakPolarHBondContact O-CB 3.35Å; D51-R55 PolarHBondContact O-N 2.99Å
52L98.8Very high97.9Very high7 Ų742.2 Ų42.24%0.03722%0.221CC..Hα-helixtrans-65.6-44.6175.4-75.3166.1000111.7F15 N22 V26 E48 A49 G54 R55 H56F15-L52 HydrophobicContact CZ-CB 3.99Å; N22-L52 HydrophobicContact CB-CD1 3.83Å; V26-L52 HydrophobicContact CG2-CB 3.96Å; V26-L52 HydrophobicContact CG2-CD1 4.15Å; V26-L52 HydrophobicContact CG2-CD2 4.27Å; V26-L52 HydrophobicContact CG2-CG 4.36Å; E48-L52 HydrophobicContact CG-CD1 4.04Å; E48-L52 WeakPolarHBondContact O-CB 3.41Å; E48-L52 WeakPolarHBondContact O-CG 3.42Å; E48-L52 PolarHBondContact O-N 2.64Å; A49-L52 WeakPolarHBondContact O-CB 3.34Å; A49-L52 PolarHBondContact O-N 2.98Å; L52-G54 VanDerWaalsContact C-N 3.33Å; L52-G54 PolarHBondContact O-N 2.91Å; L52-R55 VanDerWaalsContact CD2-NH1 3.29Å; L52-R55 PolarHBondContact O-N 3.24Å; L52-H56 PolarHBondContact O-CD2 3.02Å; L52-H56 VanDerWaalsContact O-CD2 3.28Å; L52-H56 PolarHBondContact O-N 3.5Å
53A98.6Very high98.1Very high4 Ų441.3 Ų41.33%0.03322%0.216CC..Hα-helixtrans-59.8-44.5175.300000111.6F15 A49 A50 K57 I58 I60F15-A53 HydrophobicContact CE1-CB 4Å; A49-A53 PolarHBondContact O-N 3.33Å; A50-A53 PolarHBondContact O-N 2.93Å; A53-K57 CarbonylContact O-C 3.58Å; A53-K57 VanDerWaalsContact O-CA 3.26Å; A53-K57 WeakPolarHBondContact O-CA 3.4Å; A53-K57 PolarHBondContact O-N 2.84Å; A53-I58 HydrophobicContact CB-CB 4.13Å; A53-I58 PolarHBondContact O-N 3.36Å; A53-I60 HydrophobicContact CB-CB 4.29Å; A53-I60 HydrophobicContact CB-CD1 3.62Å; A53-I60 HydrophobicContact CB-CG2 4.35Å
54G98.4Very high98.2Very high58 Ų5841 Ų4160%0.59821%0.213SC*.Hα-helixtrans-60.9-46.8174.900000112.6A50 D51 L52 H56 K57A50-G54 PolarHBondContact O-N 2.62Å; D51-G54 PolarHBondContact O-N 2.94Å; L52-G54 VanDerWaalsContact C-N 3.33Å; L52-G54 PolarHBondContact O-N 2.91Å; G54-H56 PolarHBondContact O-N 2.81Å; G54-K57 PolarHBondContact O-N 2.81Å
55R98.6Very high98.4Very high172 Ų17236.9 Ų36.965%0.64918%0.184SC*.Hα-helixtrans-60.9-44.8179.9-175.3-174.8-59.3144.35.6112.7D51 L52D51-R55 VanDerWaalsContact O-CB 3.31Å; D51-R55 WeakPolarHBondContact O-CB 3.35Å; D51-R55 PolarHBondContact O-N 2.99Å; L52-R55 VanDerWaalsContact CD2-NH1 3.29Å; L52-R55 PolarHBondContact O-N 3.24Å
56H98.4Very high98.5Very high59 Ų5936.5 Ų36.527%0.27318%0.181SC..Hα-helixtrans-95.62.4-176-63.9-71.5000113.4L52 G54 I58L52-H56 PolarHBondContact O-CD2 3.02Å; L52-H56 VanDerWaalsContact O-CD2 3.28Å; L52-H56 PolarHBondContact O-N 3.5Å; G54-H56 PolarHBondContact O-N 2.81Å; H56-I58 HydrophobicContact CB-CD1 4.01Å; H56-I58 HydrophobicContact CB-CG1 3.71Å; H56-I58 PolarHBondContact O-N 3.25Å
57K97.6Very high98.3Very high170 Ų17036.3 Ų36.374%0.73918%0.18SC*.THydrogen-bonded Turntrans55.437.5-177.6-55.4179.8-179.9178.10113.1A53 G54 P59A53-K57 CarbonylContact O-C 3.58Å; A53-K57 VanDerWaalsContact O-CA 3.26Å; A53-K57 WeakPolarHBondContact O-CA 3.4Å; A53-K57 PolarHBondContact O-N 2.84Å; G54-K57 PolarHBondContact O-N 2.81Å; K57-P59 WeakPolarHBondContact O-CD 3.25Å
58I98.2Very high98.1Very high7 Ų732 Ų324%0.03616%0.161CC..  trans-72.6124.4179.6-48-173.2000108.6V26 F29 V37 A53 H56 I60V26-I58 HydrophobicContact CG2-CD1 4.01Å; F29-I58 HydrophobicContact CB-CD1 4.19Å; F29-I58 HydrophobicContact CD1-CB 4.47Å; F29-I58 HydrophobicContact CD1-CD1 3.94Å; F29-I58 HydrophobicContact CD1-CG1 3.61Å; F29-I58 HydrophobicContact CD1-CG2 4.48Å; F29-I58 HydrophobicContact CD2-CG1 4.42Å; F29-I58 HydrophobicContact CD2-CG2 3.77Å; F29-I58 HydrophobicContact CE1-CB 4.38Å; F29-I58 HydrophobicContact CE1-CG1 3.74Å; F29-I58 HydrophobicContact CE2-CB 4.41Å; F29-I58 HydrophobicContact CE2-CG2 3.94Å; F29-I58 HydrophobicContact CG-CD1 4.05Å; F29-I58 HydrophobicContact CG-CG1 3.96Å; F29-I58 HydrophobicContact CG-CG2 4.04Å; F29-I58 HydrophobicContact CZ-CB 4.34Å; F29-I58 HydrophobicContact CZ-CG1 4.2Å; F29-I58 HydrophobicContact CZ-CG2 4.37Å; V37-I58 HydrophobicContact CB-CG2 4.46Å; V37-I58 HydrophobicContact CG1-CG2 3.8Å; V37-I58 HydrophobicContact CG2-CG2 3.86Å; A53-I58 HydrophobicContact CB-CB 4.13Å; A53-I58 PolarHBondContact O-N 3.36Å; H56-I58 HydrophobicContact CB-CD1 4.01Å; H56-I58 HydrophobicContact CB-CG1 3.71Å; H56-I58 PolarHBondContact O-N 3.25Å; I58-I60 PolarHBondContact O-N 3.47Å
59P98.3Very high97.8Very high14 Ų1428.5 Ų28.59%0.09115%0.145CC..  trans-57.3128.2167.7-24.736.9000110.5S35 N36 V37 K57S35-P59 WeakPolarHBondContact O-CD 3.33Å; S35-P59 VanDerWaalsContact O-CG 3.28Å; S35-P59 WeakPolarHBondContact O-CG 3.2Å; N36-P59 CarbonylContact C-O 3.59Å; N36-P59 WeakPolarHBondContact CA-O 3.33Å; N36-P59 WeakPolarHBondContact OD1-CB 3.48Å; N36-P59 PolarHBondContact OD1-O 3.45Å; V37-P59 PolarHBondContact N-O 3.39Å; K57-P59 WeakPolarHBondContact O-CD 3.25Å
60I98.5Very high97.5Very high9 Ų930.9 Ų30.95%0.04616%0.159CC..EExtended strand (participates in β ladder)trans-136.5138.6-169.1-175.9161.2000110.4F15 V37 L39 A53 I58 F120F15-I60 HydrophobicContact CD1-CD1 4.02Å; F15-I60 HydrophobicContact CE1-CD1 4.17Å; V37-I60 HydrophobicContact CG2-CB 3.91Å; V37-I60 HydrophobicContact CG2-CD1 4.11Å; V37-I60 HydrophobicContact CG2-CG1 3.84Å; V37-I60 WeakPolarHBondContact O-CA 3.21Å; L39-I60 HydrophobicContact CB-CD1 3.98Å; L39-I60 HydrophobicContact CB-CG1 4.12Å; L39-I60 HydrophobicContact CD2-CD1 4.09Å; L39-I60 HydrophobicContact CG-CD1 4.46Å; A53-I60 HydrophobicContact CB-CB 4.29Å; A53-I60 HydrophobicContact CB-CD1 3.62Å; A53-I60 HydrophobicContact CB-CG2 4.35Å; I58-I60 PolarHBondContact O-N 3.47Å; I60-F120 HydrophobicContact CG1-CE2 4.02Å; I60-F120 HydrophobicContact CG1-CZ 4.16Å; I60-F120 HydrophobicContact CG2-CZ 4.21Å
61G98.6Very high97.4Very high0 Ų030.7 Ų30.70%016%0.157CC..EExtended strand (participates in β ladder)trans-135.7-173.9169.300000112V37 L39 F120 H130V37-G61 PolarHBondContact O-N 3.38Å; L39-G61 WeakPolarHBondContact CB-O 3.42Å; L39-G61 PolarHBondContact N-O 3.35Å; G61-F120 VanDerWaalsContact C-CE2 3.43Å; G61-F120 VanDerWaalsContact O-CE2 3.32Å; G61-F120 WeakPolarHBondContact O-CE2 3.28Å; G61-H130 WeakPolarHBondContact CA-CE1 3.4Å; G61-H130 WeakPolarHBondContact CA-ND1 3.28Å; G61-H130 WeakPolarHBondContact CA-O 3.11Å; G61-H130 PolarHBondContact N-CE1 2.93Å; G61-H130 VanDerWaalsContact N-CE1 3.29Å
62L98.9Very high97.2Very high0 Ų029 Ų290%015%0.15CC..EExtended strand (participates in β ladder)trans-97.7123.3-170.1174.759.5000111V41 A64 Q116 V117 F120 P128 H130 M131 D132V41-L62 HydrophobicContact CB-CD1 4.26Å; V41-L62 HydrophobicContact CG1-CD1 3.5Å; V41-L62 VanDerWaalsContact CG1-CD1 3.5Å; V41-L62 HydrophobicContact CG2-CD1 3.78Å; L62-A64 PolarHBondContact O-N 2.83Å; L62-Q116 HydrophobicContact CD1-CB 4.41Å; L62-Q116 HydrophobicContact CD2-CB 4.22Å; L62-V117 HydrophobicContact CD2-CB 4.37Å; L62-V117 HydrophobicContact CD2-CG2 3.77Å; L62-F120 HydrophobicContact CB-CD2 3.9Å; L62-F120 HydrophobicContact CB-CE2 4.37Å; L62-F120 HydrophobicContact CB-CG 4.38Å; L62-F120 HydrophobicContact CD1-CB 4.31Å; L62-F120 HydrophobicContact CD1-CD2 4.14Å; L62-F120 HydrophobicContact CD2-CB 4.48Å; L62-P128 HydrophobicContact CB-CB 4.05Å; L62-P128 HydrophobicContact CB-CG 4.06Å; L62-H130 PolarHBondContact N-O 3.12Å; L62-M131 HydrophobicContact CB-CB 4.38Å; L62-M131 HydrophobicContact CB-CG 4.02Å; L62-M131 HydrophobicContact CD2-CE 3.58Å; L62-M131 HydrophobicContact CD2-CG 4.13Å; L62-M131 HydrophobicContact CD2-SD 3.69Å; L62-M131 HydrophobicContact CG-CE 4.14Å; L62-M131 HydrophobicContact CG-CG 4.05Å; L62-M131 HydrophobicContact CG-SD 4.27Å; L62-M131 VanDerWaalsContact O-CA 3.31Å; L62-M131 WeakPolarHBondContact O-CA 3.24Å; L62-D132 PolarHBondContact O-N 2.88Å; L62-D132 VanDerWaalsContact O-N 3.1Å
63H98.8Very high97Very high2 Ų231.7 Ų31.71%0.00916%0.16CC..EExtended strand (participates in β ladder)trans-90.495.2169.7-151.442000109.2D13 D14 L39 L40 N65 D132 H134D13-H63 IonicContact OD2-CE1 2.86Å; D13-H63 PolarHBondContact OD2-CE1 3.29Å; D13-H63 IonicContact OD2-NE2 3.79Å; D14-H63 IonicContact OD1-CD2 3.46Å; D14-H63 PolarHBondContact OD1-CD2 2.81Å; D14-H63 IonicContact OD1-NE2 3.76Å; D14-H63 PolarHBondContact OD1-NE2 2.95Å; L39-H63 WeakPolarHBondContact O-CB 3.42Å; L39-H63 PolarHBondContact O-N 3.34Å; L40-H63 HydrophobicContact CD2-CB 4.04Å; L40-H63 HydrophobicContact CG-CB 4.17Å; H63-N65 PolarHBondContact O-N 2.89Å; H63-D132 WeakPolarHBondContact CA-OD1 3.36Å; H63-D132 IonicContact CE1-OD1 2.88Å; H63-D132 IonicContact CE1-OD2 3.49Å; H63-D132 IonicContact CG-OD1 3.3Å; H63-D132 VanDerWaalsContact ND1-CG 3.32Å; H63-D132 IonicContact ND1-OD1 3.22Å; H63-D132 PolarHBondContact ND1-OD1 3.3Å; H63-D132 IonicContact ND1-OD2 3.12Å; H63-D132 PolarHBondContact ND1-OD2 3.03Å; H63-H134 AromaticContact CD2-ND1 3.67Å; H63-H134 PolarHBondContact CE1-N 2.95Å; H63-H134 VanDerWaalsContact NE2-CA 3.28Å; H63-H134 WeakPolarHBondContact NE2-CA 3.34Å; H63-H134 AromaticContact NE2-CG 3.91Å; H63-H134 AromaticContact NE2-ND1 3.42Å; H63-H134 PolarHBondContact NE2-ND1 3.39Å
64A98.8Very high96.3Very high0 Ų038.8 Ų38.80%019%0.192CC..EExtended strand (participates in β ladder)trans-66.3124.7-176.300000110.6L62 L113 M131 D132 G133 H134 F147L62-A64 PolarHBondContact O-N 2.83Å; A64-L113 HydrophobicContact CB-CD2 3.86Å; A64-M131 HydrophobicContact CB-CE 3.38Å; A64-M131 HydrophobicContact CB-CG 4.34Å; A64-D132 WeakPolarHBondContact CB-O 3.26Å; A64-D132 PolarHBondContact N-O 3.2Å; A64-G133 CarbonylContact O-C 3.58Å; A64-G133 WeakPolarHBondContact O-CA 3.41Å; A64-H134 PolarHBondContact O-N 3.24Å; A64-F147 HydrophobicContact CB-CE2 4Å
65N98.2Very high95.5Very high0 Ų042.7 Ų42.70%020%0.195CC..  trans-118.9122.4-176.1-179.815.6000111.2L40 N42 H63 S67 E68 Q116 H134 C268L40-N65 HydrophobicContact CD2-CB 3.76Å; N42-N65 PolarHBondContact ND2-ND2 3.31Å; N42-N65 PolarHBondContact OD1-ND2 2.66Å; H63-N65 PolarHBondContact O-N 2.89Å; N65-S67 PolarHBondContact OD1-N 2.91Å; N65-S67 PolarHBondContact OD1-OG 3.43Å; N65-E68 PolarHBondContact ND2-O 3.49Å; N65-E68 PolarHBondContact OD1-N 3.26Å; N65-Q116 PolarHBondContact O-NE2 3.02Å; N65-H134 HydrophobicContact CB-CB 4.21Å; N65-C268 PolarHBondContact ND2-SG 3.13Å; N65-C268 VanDerWaalsContact ND2-SG 3.4Å
66L97.7Very high94.7Very high1 Ų134.8 Ų34.81%0.00517%0.165CC..SBendtrans-1248176.1-64.3172.5000112F89 F95 V109 E112 L113 V137 V143L66-F89 VanDerWaalsContact O-CD1 3.29Å; L66-F89 WeakPolarHBondContact O-CD1 3.36Å; L66-F89 WeakPolarHBondContact O-CG 3.31Å; L66-F95 HydrophobicContact CB-CD2 4.19Å; L66-F95 HydrophobicContact CB-CE2 3.68Å; L66-F95 HydrophobicContact CB-CZ 3.96Å; L66-F95 HydrophobicContact CD1-CE2 4.34Å; L66-F95 HydrophobicContact CD1-CZ 3.93Å; L66-F95 WeakPolarHBondContact O-CD2 3.32Å; L66-V109 HydrophobicContact CD1-CG1 3.8Å; L66-E112 HydrophobicContact CD2-CB 4.3Å; L66-E112 HydrophobicContact CD2-CG 3.83Å; L66-L113 HydrophobicContact CD1-CD2 4.35Å; L66-L113 HydrophobicContact CD2-CD2 4.34Å; L66-L113 HydrophobicContact CG-CD2 4.41Å; L66-V137 HydrophobicContact CB-CG2 4.31Å; L66-V137 HydrophobicContact CD1-CG2 4.28Å; L66-V137 HydrophobicContact CG-CG2 4.36Å; L66-V143 HydrophobicContact CD1-CG1 3.99Å
67S94.8Very high93.2Very high0 Ų036.3 Ų36.30%017%0.172CC..SBendtrans-127-26.9-166.454.20000113.9N65 F89 G91 Q135N65-S67 PolarHBondContact OD1-N 2.91Å; N65-S67 PolarHBondContact OD1-OG 3.43Å; S67-F89 VanDerWaalsContact C-CB 3.42Å; S67-F89 WeakPolarHBondContact O-CB 3.24Å; S67-G91 CarbonylContact O-C 3.55Å; S67-G91 WeakPolarHBondContact O-CA 3.49Å; S67-G91 PolarHBondContact O-N 2.99Å; S67-Q135 PolarHBondContact OG-OE1 2.9Å
68E93.9Very high91.8Very high15 Ų1536.7 Ų36.77%0.0718%0.177CC..SBendtrans-120.8133.7-177.2-164.4-168.3126.400112Y17 N42 N65 F89 H134 G267 C268Y17-E68 WeakPolarHBondContact CE2-OE1 3.23Å; Y17-E68 WeakPolarHBondContact CE2-OE2 3.48Å; Y17-E68 PolarHBondContact OH-OE1 3.22Å; Y17-E68 PolarHBondContact OH-OE2 3.25Å; N42-E68 PolarHBondContact ND2-O 3.04Å; N65-E68 PolarHBondContact ND2-O 3.49Å; N65-E68 PolarHBondContact OD1-N 3.26Å; E68-F89 WeakPolarHBondContact O-CD2 3.38Å; E68-H134 IonicContact OE2-NE2 3.23Å; E68-G267 VanDerWaalsContact OE1-CA 3.25Å; E68-G267 WeakPolarHBondContact OE1-CA 3.22Å; E68-C268 HydrophobicContact CB-CB 4.14Å; E68-C268 HydrophobicContact CG-CB 4.01Å; E68-C268 WeakPolarHBondContact O-CB 3.24Å; E68-C268 PolarHBondContact OE1-N 2.89Å
69G92.4Very high90.7Very high0 Ų043.5 Ų43.50%021%0.212CC..SBendtrans80.9-156.1169.300000114.7F88 F89 C268 E270G69-F88 CarbonylContact O-C 3.46Å; G69-F88 VanDerWaalsContact O-CA 3.27Å; G69-F88 WeakPolarHBondContact O-CA 3.43Å; G69-F89 WeakPolarHBondContact O-CD2 3.43Å; G69-F89 PolarHBondContact O-N 3.15Å; G69-C268 CarbonylContact C-O 3.49Å; G69-C268 WeakPolarHBondContact CA-O 3.44Å; G69-E270 PolarHBondContact N-OE2 2.94Å
70T93.4Very high90.3Very high49 Ų4943.8 Ų43.830%0.30121%0.214SC..  trans-96.2147.8-176.763.60000112.6N42 F88 C268N42-T70 PolarHBondContact ND2-O 3.02Å; N42-T70 VanDerWaalsContact ND2-O 3.08Å; T70-F88 HydrophobicContact CG2-CD1 3.62Å; T70-F88 HydrophobicContact CG2-CE1 3.71Å; T70-C268 PolarHBondContact N-O 3.38Å
71P95.3Very high90.2Very high3 Ų345.7 Ų45.72%0.01923%0.226CC..  trans-63.8146173.3-18.529.3000112.3L76 Q77 V83 F89 E112P71-L76 HydrophobicContact CB-CB 4.1Å; P71-L76 HydrophobicContact CB-CD1 4.29Å; P71-L76 HydrophobicContact CG-CB 4.11Å; P71-Q77 PolarHBondContact O-NE2 3.48Å; P71-V83 HydrophobicContact CG-CG1 3.4Å; P71-F89 HydrophobicContact CB-CE1 4.23Å; P71-F89 HydrophobicContact CB-CE2 4.44Å; P71-F89 HydrophobicContact CB-CZ 3.8Å; P71-F89 HydrophobicContact CG-CD1 4.42Å; P71-F89 HydrophobicContact CG-CE1 3.83Å; P71-F89 HydrophobicContact CG-CE2 4.32Å; P71-F89 HydrophobicContact CG-CZ 3.78Å; P71-E112 WeakPolarHBondContact CB-OE2 3.28Å
72V96.1Very high90Very high39 Ų3945.7 Ų45.724%0.23623%0.226CC..SBendtrans-70.8-37.1171178.50000110.7V41 N42 Q74 E112 A115 Q116 R119V41-V72 HydrophobicContact CG2-CG2 4.27Å; N42-V72 HydrophobicContact CB-CG2 3.71Å; V72-Q74 PolarHBondContact O-N 3.28Å; V72-E112 PolarHBondContact N-OE1 2.8Å; V72-E112 PolarHBondContact N-OE2 2.77Å; V72-E112 VanDerWaalsContact N-OE2 3.14Å; V72-A115 HydrophobicContact CB-CB 4.21Å; V72-A115 HydrophobicContact CG1-CB 4.04Å; V72-Q116 HydrophobicContact CB-CG 4.2Å; V72-Q116 HydrophobicContact CG2-CG 3.72Å; V72-R119 HydrophobicContact CG1-CB 3.85Å; V72-R119 HydrophobicContact CG1-CG 4.26Å
73Y93.4Very high89.9Confident63 Ų6346.4 Ų46.425%0.24723%0.231CC..SBendtrans-74.396.1178-169.2-129.2000110.3H75 L76 L111 E112 A115Y73-H75 HydrophobicContact CD1-CB 4.36Å; Y73-H75 HydrophobicContact CE1-CB 3.79Å; Y73-H75 AromaticContact CE2-CD2 3.84Å; Y73-H75 AromaticContact CZ-CD2 3.68Å; Y73-H75 PolarHBondContact O-N 3.37Å; Y73-L76 HydrophobicContact CD1-CD1 3.97Å; Y73-L76 HydrophobicContact CD1-CD2 4.12Å; Y73-L76 HydrophobicContact CD1-CG 3.61Å; Y73-L76 HydrophobicContact CE1-CG 4.44Å; Y73-L76 HydrophobicContact CG-CG 4.38Å; Y73-L76 WeakPolarHBondContact O-CB 3.37Å; Y73-L76 PolarHBondContact O-N 2.77Å; Y73-L111 HydrophobicContact CD1-CB 3.75Å; Y73-L111 HydrophobicContact CD1-CD1 4.46Å; Y73-L111 HydrophobicContact CE1-CB 3.93Å; Y73-L111 HydrophobicContact CE1-CD1 3.89Å; Y73-L111 HydrophobicContact CE1-CD2 4.32Å; Y73-L111 HydrophobicContact CE1-CG 4.28Å; Y73-L111 HydrophobicContact CG-CB 4.46Å; Y73-E112 VanDerWaalsContact CB-OE2 3.31Å; Y73-E112 WeakPolarHBondContact CB-OE2 3.29Å; Y73-E112 PolarHBondContact N-OE2 2.96Å; Y73-A115 HydrophobicContact CD2-CB 4.33Å; Y73-A115 HydrophobicContact CG-CB 4.37Å
74Q83.6Confident89.5Confident153 Ų15348 Ų4872%0.71524%0.239SC*.G310 helixtrans-51-33.4-172.1-66.8-179.1-12.700114.4V72 L76 Q77V72-Q74 PolarHBondContact O-N 3.28Å; Q74-L76 PolarHBondContact O-N 3.15Å; Q74-L76 VanDerWaalsContact O-N 3.16Å; Q74-Q77 PolarHBondContact O-N 2.98Å; Q74-Q77 VanDerWaalsContact O-N 3.12Å
75H82.3Confident89.1Confident141 Ų14154 Ų5465%0.65328%0.279SS*.G310 helixtrans-65.3-15.3178.4-67.9-66.1000114Y73 Q77Y73-H75 HydrophobicContact CD1-CB 4.36Å; Y73-H75 HydrophobicContact CE1-CB 3.79Å; Y73-H75 AromaticContact CE2-CD2 3.84Å; Y73-H75 AromaticContact CZ-CD2 3.68Å; Y73-H75 PolarHBondContact O-N 3.37Å; H75-Q77 VanDerWaalsContact C-N 3.34Å
76L80.9Confident88.6Confident5 Ų560.5 Ų60.53%0.02631%0.309CS..G310 helixtrans-81-10.1174.9-61.5178.8000113.4P71 Y73 Q74 Q78 S80 L82 Q108 E112P71-L76 HydrophobicContact CB-CB 4.1Å; P71-L76 HydrophobicContact CB-CD1 4.29Å; P71-L76 HydrophobicContact CG-CB 4.11Å; Y73-L76 HydrophobicContact CD1-CD1 3.97Å; Y73-L76 HydrophobicContact CD1-CD2 4.12Å; Y73-L76 HydrophobicContact CD1-CG 3.61Å; Y73-L76 HydrophobicContact CE1-CG 4.44Å; Y73-L76 HydrophobicContact CG-CG 4.38Å; Y73-L76 WeakPolarHBondContact O-CB 3.37Å; Y73-L76 PolarHBondContact O-N 2.77Å; Q74-L76 PolarHBondContact O-N 3.15Å; Q74-L76 VanDerWaalsContact O-N 3.16Å; L76-Q78 PolarHBondContact O-N 3.46Å; L76-S80 WeakPolarHBondContact O-CB 3.46Å; L76-L82 HydrophobicContact CD1-CD1 4.09Å; L76-Q108 HydrophobicContact CD2-CB 3.86Å; L76-Q108 HydrophobicContact CD2-CG 3.69Å; L76-E112 HydrophobicContact CD1-CB 3.87Å
77Q67.9Low88.3Confident91 Ų9161 Ų6143%0.42531%0.314SS..G310 helixtrans-76.2-9-176.1-65.5180-9.600113.6P71 Q74 H75P71-Q77 PolarHBondContact O-NE2 3.48Å; Q74-Q77 PolarHBondContact O-N 2.98Å; Q74-Q77 VanDerWaalsContact O-N 3.12Å; H75-Q77 VanDerWaalsContact C-N 3.34Å
78Q67.7Low88.2Confident178 Ų17863.6 Ų63.683%0.83233%0.325SS*.THydrogen-bonded Turntrans-112.4-40.7-173.2-63.9-178.8-1.600114L76L76-Q78 PolarHBondContact O-N 3.46Å
79I75.6Confident88.3Confident151 Ų15162.9 Ų62.977%0.77432%0.322SS*.SBendtrans-144.375179.4-49.5176.5000108.5Q108I79-Q108 PolarHBondContact O-NE2 2.68Å
80S89.9Confident88.4Confident20 Ų2065.8 Ų65.814%0.1434%0.336CS..  trans-123.9141.5179177.20000111.9L76 L82 Q108L76-S80 WeakPolarHBondContact O-CB 3.46Å; S80-L82 WeakPolarHBondContact OG-CB 3.4Å; S80-L82 PolarHBondContact OG-N 3.37Å; S80-Q108 PolarHBondContact OG-OE1 3.48Å
81T95.6Very high88.4Confident49 Ų4964.5 Ų64.530%0.30133%0.332SS..SBendtrans-73.9-16.616960.20000112.1H90 Q103 L104 S105 Q108T81-H90 PolarHBondContact O-CD2 2.93Å; T81-H90 PolarHBondContact O-NE2 2.92Å; T81-Q103 VanDerWaalsContact CB-O 3.31Å; T81-Q103 WeakPolarHBondContact CB-O 3.41Å; T81-L104 WeakPolarHBondContact O-CD2 3.41Å; T81-S105 WeakPolarHBondContact OG1-CB 3.34Å; T81-S105 PolarHBondContact OG1-N 3.19Å; T81-Q108 PolarHBondContact OG1-OE1 2.87Å
82L96.1Very high88.3Confident0 Ų067.6 Ų67.60%035%0.345CS..SBendtrans-84.8-16.1-177.5-49.4-171.3000113.3L76 S80 F89 H90 F95 L104 Q108 V109 E112L76-L82 HydrophobicContact CD1-CD1 4.09Å; S80-L82 WeakPolarHBondContact OG-CB 3.4Å; S80-L82 PolarHBondContact OG-N 3.37Å; L82-F89 HydrophobicContact CB-CD1 4.04Å; L82-F89 HydrophobicContact CB-CE1 4.03Å; L82-F89 HydrophobicContact CD1-CE1 4.27Å; L82-F89 WeakPolarHBondContact O-CA 3.38Å; L82-F89 WeakPolarHBondContact O-CD1 3.48Å; L82-H90 VanDerWaalsContact C-CD2 3.43Å; L82-H90 PolarHBondContact O-CD2 3.42Å; L82-H90 PolarHBondContact O-N 3.28Å; L82-F95 HydrophobicContact CD2-CE2 4.38Å; L82-L104 HydrophobicContact CD2-CB 4.39Å; L82-L104 HydrophobicContact CD2-CD2 4.14Å; L82-Q108 HydrophobicContact CD1-CB 4.09Å; L82-Q108 HydrophobicContact CD2-CB 4.44Å; L82-Q108 HydrophobicContact CG-CB 4.06Å; L82-V109 HydrophobicContact CD1-CG2 4.35Å; L82-V109 HydrophobicContact CD2-CG2 3.74Å; L82-E112 HydrophobicContact CD1-CB 4.29Å
83V94.8Very high88.2Confident15 Ų1570.7 Ų70.79%0.09136%0.358CS..BIsolated β-bridgetrans-118.5152.4-173-54.60000112.5P71 F88 F89 H90P71-V83 HydrophobicContact CG-CG1 3.4Å; V83-F88 CarbonylContact C-O 3.5Å; V83-F88 WeakPolarHBondContact CA-O 3.2Å; V83-F88 WeakPolarHBondContact CB-O 3.37Å; V83-F89 HydrophobicContact CG1-CD1 4.45Å; V83-H90 PolarHBondContact O-CE1 3.48Å; V83-H90 PolarHBondContact O-NE2 3.48Å
84N91.9Very high88.4Confident34 Ų3468.8 Ų68.818%0.18236%0.358CS..  trans-76.3173.6169.96925.7000111.1Q86 G87 F88N84-Q86 PolarHBondContact O-N 3.45Å; N84-Q86 WeakPolarHBondContact OD1-CA 3.48Å; N84-Q86 WeakPolarHBondContact OD1-CB 3.32Å; N84-Q86 PolarHBondContact OD1-N 3.01Å; N84-Q86 PolarHBondContact OD1-OE1 2.93Å; N84-G87 PolarHBondContact O-N 3.11Å; N84-G87 PolarHBondContact OD1-N 3.46Å; N84-F88 VanDerWaalsContact CG-O 3.28Å; N84-F88 PolarHBondContact N-O 3.27Å; N84-F88 PolarHBondContact OD1-N 3.15Å; N84-F88 VanDerWaalsContact OD1-N 3.16Å; N84-F88 PolarHBondContact OD1-O 3.45Å
85P89.8Confident89Confident128 Ų12861.5 Ų61.583%0.83132%0.324SS*.THydrogen-bonded Turntrans-60.5-14.8179.4-25.736.2000115.5
86Q88.3Confident89.7Confident135 Ų13555.6 Ų55.663%0.63130%0.296SS*.THydrogen-bonded Turntrans-89.6-3.8176.1-657037.900112.4N84 F88N84-Q86 PolarHBondContact O-N 3.45Å; N84-Q86 WeakPolarHBondContact OD1-CA 3.48Å; N84-Q86 WeakPolarHBondContact OD1-CB 3.32Å; N84-Q86 PolarHBondContact OD1-N 3.01Å; N84-Q86 PolarHBondContact OD1-OE1 2.93Å; Q86-F88 HydrophobicContact CB-CD2 3.75Å; Q86-F88 HydrophobicContact CB-CE2 4.05Å
87G90.6Very high90.5Very high12 Ų1259.7 Ų59.712%0.12432%0.315CS..SBendtrans85.86.4178.800000114.8N84N84-G87 PolarHBondContact O-N 3.11Å; N84-G87 PolarHBondContact OD1-N 3.46Å
88F92.7Very high91.9Very high54 Ų5455.8 Ų55.824%0.23730%0.298CS..SBendtrans-91.8152.9172.9-58.7-73.8000110.9G69 T70 V83 N84 Q86 G269 E270G69-F88 CarbonylContact O-C 3.46Å; G69-F88 VanDerWaalsContact O-CA 3.27Å; G69-F88 WeakPolarHBondContact O-CA 3.43Å; T70-F88 HydrophobicContact CG2-CD1 3.62Å; T70-F88 HydrophobicContact CG2-CE1 3.71Å; V83-F88 CarbonylContact C-O 3.5Å; V83-F88 WeakPolarHBondContact CA-O 3.2Å; V83-F88 WeakPolarHBondContact CB-O 3.37Å; N84-F88 VanDerWaalsContact CG-O 3.28Å; N84-F88 PolarHBondContact N-O 3.27Å; N84-F88 PolarHBondContact OD1-N 3.15Å; N84-F88 VanDerWaalsContact OD1-N 3.16Å; N84-F88 PolarHBondContact OD1-O 3.45Å; Q86-F88 HydrophobicContact CB-CD2 3.75Å; Q86-F88 HydrophobicContact CB-CE2 4.05Å; F88-G269 VanDerWaalsContact CE1-C 3.45Å; F88-G269 VanDerWaalsContact CE1-O 3.25Å; F88-G269 WeakPolarHBondContact CE1-O 3.46Å; F88-E270 HydrophobicContact CB-CG 3.86Å; F88-E270 HydrophobicContact CD1-CG 3.47Å; F88-E270 VanDerWaalsContact CD1-CG 3.47Å; F88-E270 HydrophobicContact CD2-CG 4.05Å; F88-E270 HydrophobicContact CE1-CG 3.96Å; F88-E270 HydrophobicContact CE2-CG 4.48Å; F88-E270 HydrophobicContact CG-CG 3.52Å; F88-E270 HydrophobicContact CZ-CG 4.43Å
89F95.8Very high93.3Very high0 Ų048 Ų480%026%0.262CS..BIsolated β-bridgetrans-53.4157.7169.4-71.7-63.9000111.4L66 S67 E68 G69 P71 L82 V83 G91 E112L66-F89 VanDerWaalsContact O-CD1 3.29Å; L66-F89 WeakPolarHBondContact O-CD1 3.36Å; L66-F89 WeakPolarHBondContact O-CG 3.31Å; S67-F89 VanDerWaalsContact C-CB 3.42Å; S67-F89 WeakPolarHBondContact O-CB 3.24Å; E68-F89 WeakPolarHBondContact O-CD2 3.38Å; G69-F89 WeakPolarHBondContact O-CD2 3.43Å; G69-F89 PolarHBondContact O-N 3.15Å; P71-F89 HydrophobicContact CB-CE1 4.23Å; P71-F89 HydrophobicContact CB-CE2 4.44Å; P71-F89 HydrophobicContact CB-CZ 3.8Å; P71-F89 HydrophobicContact CG-CD1 4.42Å; P71-F89 HydrophobicContact CG-CE1 3.83Å; P71-F89 HydrophobicContact CG-CE2 4.32Å; P71-F89 HydrophobicContact CG-CZ 3.78Å; L82-F89 HydrophobicContact CB-CD1 4.04Å; L82-F89 HydrophobicContact CB-CE1 4.03Å; L82-F89 HydrophobicContact CD1-CE1 4.27Å; L82-F89 WeakPolarHBondContact O-CA 3.38Å; L82-F89 WeakPolarHBondContact O-CD1 3.48Å; V83-F89 HydrophobicContact CG1-CD1 4.45Å; F89-G91 PolarHBondContact O-N 3.34Å; F89-E112 HydrophobicContact CE1-CG 4.44Å; F89-E112 HydrophobicContact CZ-CG 3.97Å
90H94.8Very high94.3Very high61 Ų6148.6 Ų48.628%0.28226%0.261SS..  trans-68.24.1-175.5-68.7-62000115.4T81 L82 V83 G94T81-H90 PolarHBondContact O-CD2 2.93Å; T81-H90 PolarHBondContact O-NE2 2.92Å; L82-H90 VanDerWaalsContact C-CD2 3.43Å; L82-H90 PolarHBondContact O-CD2 3.42Å; L82-H90 PolarHBondContact O-N 3.28Å; V83-H90 PolarHBondContact O-CE1 3.48Å; V83-H90 PolarHBondContact O-NE2 3.48Å; H90-G94 WeakPolarHBondContact O-CA 3.21Å; H90-G94 PolarHBondContact O-N 2.74Å
91G94.1Very high94.7Very high22 Ų2254.1 Ų54.123%0.22728%0.283CS..Hα-helixtrans76.6167.1-170.200000112.3S67 F89 M93 G94 F95S67-G91 CarbonylContact O-C 3.55Å; S67-G91 WeakPolarHBondContact O-CA 3.49Å; S67-G91 PolarHBondContact O-N 2.99Å; F89-G91 PolarHBondContact O-N 3.34Å; G91-M93 PolarHBondContact O-N 3.36Å; G91-G94 PolarHBondContact O-N 2.94Å; G91-F95 VanDerWaalsContact O-CB 3.28Å; G91-F95 WeakPolarHBondContact O-CB 3.45Å; G91-F95 PolarHBondContact O-N 2.68Å
92K93.3Very high94.7Very high69 Ų6954.9 Ų54.930%0.330%0.301SS..Hα-helixtrans-48.4-55.5178-174.6178.1173.7-178.80113.3R96 Q135K92-R96 WeakPolarHBondContact O-CG 3.35Å; K92-Q135 HydrophobicContact CD-CB 4.36Å; K92-Q135 HydrophobicContact CD-CG 4.2Å; K92-Q135 HydrophobicContact CG-CB 4.24Å; K92-Q135 HydrophobicContact CG-CG 4.33Å
93M94.1Very high94.8Very high103 Ų10360.3 Ų60.351%0.50733%0.326SS..Hα-helixtrans-81.4-34.2-175.3-64.1-53.9-6500111.9G91 R96 Q97G91-M93 PolarHBondContact O-N 3.36Å; M93-R96 PolarHBondContact O-N 2.79Å; M93-Q97 WeakPolarHBondContact O-CB 3.38Å; M93-Q97 VanDerWaalsContact O-CG 3.23Å; M93-Q97 WeakPolarHBondContact O-CG 3.48Å; M93-Q97 PolarHBondContact O-N 2.85Å
94G95.9Very high94.9Very high23 Ų2360.4 Ų60.424%0.23733%0.326CS..Hα-helixtrans-67.7-38.2177.900000112.2H90 G91 Q97 A98H90-G94 WeakPolarHBondContact O-CA 3.21Å; H90-G94 PolarHBondContact O-N 2.74Å; G91-G94 PolarHBondContact O-N 2.94Å; G94-Q97 PolarHBondContact O-N 2.76Å; G94-A98 VanDerWaalsContact O-CB 3.31Å; G94-A98 WeakPolarHBondContact O-CB 3.46Å; G94-A98 PolarHBondContact O-N 2.82Å
95F96.9Very high95.2Very high1 Ų160.6 Ų60.60%0.00433%0.33CS..Hα-helixtrans-60.6-48.5173.5-174.5-86.1000111.3L66 L82 G91 Q97 A98 L99 L104 L140 V143L66-F95 HydrophobicContact CB-CD2 4.19Å; L66-F95 HydrophobicContact CB-CE2 3.68Å; L66-F95 HydrophobicContact CB-CZ 3.96Å; L66-F95 HydrophobicContact CD1-CE2 4.34Å; L66-F95 HydrophobicContact CD1-CZ 3.93Å; L66-F95 WeakPolarHBondContact O-CD2 3.32Å; L82-F95 HydrophobicContact CD2-CE2 4.38Å; G91-F95 VanDerWaalsContact O-CB 3.28Å; G91-F95 WeakPolarHBondContact O-CB 3.45Å; G91-F95 PolarHBondContact O-N 2.68Å; F95-Q97 PolarHBondContact O-N 3.43Å; F95-A98 PolarHBondContact O-N 2.96Å; F95-L99 HydrophobicContact CE1-CD2 4.47Å; F95-L99 WeakPolarHBondContact O-CB 3.32Å; F95-L99 PolarHBondContact O-N 3.16Å; F95-L104 HydrophobicContact CD1-CD1 4.14Å; F95-L104 HydrophobicContact CD2-CD1 3.79Å; F95-L104 HydrophobicContact CE1-CD1 3.85Å; F95-L104 HydrophobicContact CE2-CD1 3.49Å; F95-L104 VanDerWaalsContact CE2-CD1 3.49Å; F95-L104 HydrophobicContact CG-CD1 4.11Å; F95-L104 HydrophobicContact CZ-CD1 3.52Å; F95-L140 HydrophobicContact CD1-CD1 3.84Å; F95-L140 HydrophobicContact CE1-CD1 3.72Å; F95-V143 HydrophobicContact CE1-CG2 4.02Å; F95-V143 HydrophobicContact CZ-CG2 4.02Å
96R97.3Very high95.6Very high16 Ų1656.4 Ų56.46%0.0630%0.3CS..Hα-helixtrans-60.3-45177.7-71.1174.6-179.4-96.7-6.5112.1K92 M93 A98 L99 E100 Q135 L140 D187K92-R96 WeakPolarHBondContact O-CG 3.35Å; M93-R96 PolarHBondContact O-N 2.79Å; R96-A98 PolarHBondContact O-N 3.29Å; R96-L99 WeakPolarHBondContact O-CB 3.47Å; R96-L99 PolarHBondContact O-N 2.97Å; R96-E100 WeakPolarHBondContact O-CG 3.36Å; R96-E100 PolarHBondContact O-N 3.25Å; R96-Q135 PolarHBondContact NH2-O 3.06Å; R96-Q135 VanDerWaalsContact NH2-O 3.08Å; R96-L140 HydrophobicContact CG-CD1 4.17Å; R96-L140 HydrophobicContact CG-CD2 4.31Å; R96-D187 IonicContact NH1-OD2 3.84Å
97Q97.1Very high96Very high92 Ų9255.4 Ų55.443%0.4330%0.299SS..Hα-helixtrans-64.9-40177.4-71.917225.500112.9M93 G94 F95 L99 K101M93-Q97 WeakPolarHBondContact O-CB 3.38Å; M93-Q97 VanDerWaalsContact O-CG 3.23Å; M93-Q97 WeakPolarHBondContact O-CG 3.48Å; M93-Q97 PolarHBondContact O-N 2.85Å; G94-Q97 PolarHBondContact O-N 2.76Å; F95-Q97 PolarHBondContact O-N 3.43Å; Q97-L99 VanDerWaalsContact C-N 3.34Å; Q97-K101 WeakPolarHBondContact O-CB 3.26Å; Q97-K101 WeakPolarHBondContact O-CD 3.23Å; Q97-K101 VanDerWaalsContact O-CG 3.23Å; Q97-K101 WeakPolarHBondContact O-CG 3.45Å; Q97-K101 PolarHBondContact O-N 3.09Å
98A97.1Very high96.4Very high8 Ų856.4 Ų56.47%0.06630%0.3CS..Hα-helixtrans-66.9-38.6176.500000111.2G94 F95 R96 K101 G102 Q103 L104G94-A98 VanDerWaalsContact O-CB 3.31Å; G94-A98 WeakPolarHBondContact O-CB 3.46Å; G94-A98 PolarHBondContact O-N 2.82Å; F95-A98 PolarHBondContact O-N 2.96Å; R96-A98 PolarHBondContact O-N 3.29Å; A98-K101 PolarHBondContact O-N 3.43Å; A98-G102 PolarHBondContact O-N 2.97Å; A98-Q103 HydrophobicContact CB-CB 4.31Å; A98-Q103 WeakPolarHBondContact O-CB 3.43Å; A98-Q103 PolarHBondContact O-N 2.87Å; A98-L104 HydrophobicContact CB-CD1 4.41Å; A98-L104 HydrophobicContact CB-CD2 3.6Å; A98-L104 HydrophobicContact CB-CG 3.87Å
99L97.5Very high96.7Very high15 Ų1553.9 Ų53.98%0.07929%0.289CS..Hα-helixtrans-61.6-51.3175-177.265.3000111.5F95 R96 Q97 K101 G102 L104 M106 L140 P141 D142 V143F95-L99 HydrophobicContact CE1-CD2 4.47Å; F95-L99 WeakPolarHBondContact O-CB 3.32Å; F95-L99 PolarHBondContact O-N 3.16Å; R96-L99 WeakPolarHBondContact O-CB 3.47Å; R96-L99 PolarHBondContact O-N 2.97Å; Q97-L99 VanDerWaalsContact C-N 3.34Å; L99-K101 PolarHBondContact O-N 2.9Å; L99-G102 PolarHBondContact O-N 3.41Å; L99-L104 HydrophobicContact CB-CD1 3.77Å; L99-L104 HydrophobicContact CB-CG 4.47Å; L99-L104 HydrophobicContact CD1-CD1 4.17Å; L99-M106 HydrophobicContact CD1-CE 3.83Å; L99-L140 HydrophobicContact CD2-CB 3.73Å; L99-L140 HydrophobicContact CD2-CD1 4.07Å; L99-L140 HydrophobicContact CD2-CG 4.36Å; L99-P141 WeakPolarHBondContact CD2-O 3.28Å; L99-D142 HydrophobicContact CD1-CB 4.45Å; L99-V143 HydrophobicContact CD1-CG2 4.29Å; L99-V143 HydrophobicContact CD2-CG2 4.27Å
100E96.9Very high96.8Very high163 Ų16356.7 Ų56.776%0.76230%0.302SS*.Hα-helixtrans-57.9-32.3177.9-74.3170.7-173.300112.9R96 G102R96-E100 WeakPolarHBondContact O-CG 3.36Å; R96-E100 PolarHBondContact O-N 3.25Å; E100-G102 VanDerWaalsContact C-N 3.28Å; E100-G102 PolarHBondContact O-N 3.46Å
101K97.7Very high97Very high136 Ų13657 Ų5759%0.59131%0.306SS*.THydrogen-bonded Turntrans-82.9-0.2177-68170.1-172.8169.30113.5Q97 A98 L99 Q103Q97-K101 WeakPolarHBondContact O-CB 3.26Å; Q97-K101 WeakPolarHBondContact O-CD 3.23Å; Q97-K101 VanDerWaalsContact O-CG 3.23Å; Q97-K101 WeakPolarHBondContact O-CG 3.45Å; Q97-K101 PolarHBondContact O-N 3.09Å; A98-K101 PolarHBondContact O-N 3.43Å; L99-K101 PolarHBondContact O-N 2.9Å; K101-Q103 VanDerWaalsContact C-N 3.25Å; K101-Q103 HydrophobicContact CB-CG 3.69Å; K101-Q103 PolarHBondContact O-N 2.99Å
102G97.3Very high97.2Very high65 Ų6556 Ų5667%0.6730%0.295SS*.THydrogen-bonded Turntrans64.828.2-175.700000113.4A98 L99 E100A98-G102 PolarHBondContact O-N 2.97Å; L99-G102 PolarHBondContact O-N 3.41Å; E100-G102 VanDerWaalsContact C-N 3.28Å; E100-G102 PolarHBondContact O-N 3.46Å
103Q97.1Very high97.5Very high114 Ų11452.8 Ų52.853%0.53328%0.281SS..  trans-92.5-7.5-174.7-65.4176.9-33.100113.3T81 A98 K101T81-Q103 VanDerWaalsContact CB-O 3.31Å; T81-Q103 WeakPolarHBondContact CB-O 3.41Å; A98-Q103 HydrophobicContact CB-CB 4.31Å; A98-Q103 WeakPolarHBondContact O-CB 3.43Å; A98-Q103 PolarHBondContact O-N 2.87Å; K101-Q103 VanDerWaalsContact C-N 3.25Å; K101-Q103 HydrophobicContact CB-CG 3.69Å; K101-Q103 PolarHBondContact O-N 2.99Å
104L97.6Very high97.7Very high17 Ų1750.6 Ų50.69%0.08927%0.267CS..SBendtrans-95.8137.3-179.9-58.5-175000111.6T81 L82 F95 A98 L99 M106T81-L104 WeakPolarHBondContact O-CD2 3.41Å; L82-L104 HydrophobicContact CD2-CB 4.39Å; L82-L104 HydrophobicContact CD2-CD2 4.14Å; F95-L104 HydrophobicContact CD1-CD1 4.14Å; F95-L104 HydrophobicContact CD2-CD1 3.79Å; F95-L104 HydrophobicContact CE1-CD1 3.85Å; F95-L104 HydrophobicContact CE2-CD1 3.49Å; F95-L104 VanDerWaalsContact CE2-CD1 3.49Å; F95-L104 HydrophobicContact CG-CD1 4.11Å; F95-L104 HydrophobicContact CZ-CD1 3.52Å; A98-L104 HydrophobicContact CB-CD1 4.41Å; A98-L104 HydrophobicContact CB-CD2 3.6Å; A98-L104 HydrophobicContact CB-CG 3.87Å; L99-L104 HydrophobicContact CB-CD1 3.77Å; L99-L104 HydrophobicContact CB-CG 4.47Å; L99-L104 HydrophobicContact CD1-CD1 4.17Å; L104-M106 HydrophobicContact CB-CE 3.79Å
105S97.6Very high97.8Very high39 Ų3949.7 Ų49.727%0.27326%0.258SS..  trans-86.3113.3172.6-178.90000110.5T81 N107 Q108 V109T81-S105 WeakPolarHBondContact OG1-CB 3.34Å; T81-S105 PolarHBondContact OG1-N 3.19Å; S105-N107 PolarHBondContact O-N 3.44Å; S105-Q108 WeakPolarHBondContact O-CB 3.37Å; S105-Q108 PolarHBondContact O-N 3.42Å; S105-V109 PolarHBondContact O-N 2.97Å
106M98.2Very high97.9Very high40 Ų4049.7 Ų49.720%0.19726%0.258CS..Hα-helixtrans-62.6-28.6175.9-71.7-51.810500113.2L99 L104 Q108 V109 E110 D142 V143 V146L99-M106 HydrophobicContact CD1-CE 3.83Å; L104-M106 HydrophobicContact CB-CE 3.79Å; M106-Q108 VanDerWaalsContact C-N 3.31Å; M106-Q108 PolarHBondContact O-N 3.1Å; M106-V109 HydrophobicContact CE-CG2 3.8Å; M106-V109 WeakPolarHBondContact O-CB 3.4Å; M106-V109 PolarHBondContact O-N 2.97Å; M106-V109 HydrophobicContact SD-CB 4.45Å; M106-V109 HydrophobicContact SD-CG2 4.15Å; M106-E110 PolarHBondContact O-N 3.2Å; M106-D142 HydrophobicContact CE-CB 4.47Å; M106-D142 HydrophobicContact CG-CB 4.01Å; M106-D142 HydrophobicContact SD-CB 3.71Å; M106-V143 HydrophobicContact CE-CG2 4.42Å; M106-V143 HydrophobicContact SD-CG2 4.28Å; M106-V146 HydrophobicContact CB-CG2 3.82Å; M106-V146 HydrophobicContact CG-CG2 4.21Å; M106-V146 HydrophobicContact SD-CG2 4.09Å
107N97.6Very high98Very high113 Ų11349.1 Ų49.160%0.60426%0.256SS*.Hα-helixtrans-63.6-37.8171.2-67.1-3.6000111.6S105 E110 L111S105-N107 PolarHBondContact O-N 3.44Å; N107-E110 PolarHBondContact O-N 3.41Å; N107-L111 VanDerWaalsContact O-CG 3.25Å; N107-L111 WeakPolarHBondContact O-CG 3.15Å; N107-L111 PolarHBondContact O-N 3.02Å
108Q97.9Very high98.1Very high34 Ų3450.8 Ų50.816%0.15926%0.258CS..Hα-helixtrans-71-37.3176-67.1-177.4-19.400111.4L76 I79 S80 T81 L82 S105 M106 E110 L111 E112L76-Q108 HydrophobicContact CD2-CB 3.86Å; L76-Q108 HydrophobicContact CD2-CG 3.69Å; I79-Q108 PolarHBondContact O-NE2 2.68Å; S80-Q108 PolarHBondContact OG-OE1 3.48Å; T81-Q108 PolarHBondContact OG1-OE1 2.87Å; L82-Q108 HydrophobicContact CD1-CB 4.09Å; L82-Q108 HydrophobicContact CD2-CB 4.44Å; L82-Q108 HydrophobicContact CG-CB 4.06Å; S105-Q108 WeakPolarHBondContact O-CB 3.37Å; S105-Q108 PolarHBondContact O-N 3.42Å; M106-Q108 VanDerWaalsContact C-N 3.31Å; M106-Q108 PolarHBondContact O-N 3.1Å; Q108-E110 VanDerWaalsContact C-N 3.32Å; Q108-E110 PolarHBondContact O-N 2.81Å; Q108-L111 PolarHBondContact O-N 2.99Å; Q108-E112 WeakPolarHBondContact O-CB 3.33Å; Q108-E112 PolarHBondContact O-N 3.31Å
109V98.6Very high98.1Very high0 Ų054.6 Ų54.60%027%0.271CS..Hα-helixtrans-57.3-47.6171.2175.10000110.1L66 L82 S105 M106 L111 E112 L113 V143 V146L66-V109 HydrophobicContact CD1-CG1 3.8Å; L82-V109 HydrophobicContact CD1-CG2 4.35Å; L82-V109 HydrophobicContact CD2-CG2 3.74Å; S105-V109 PolarHBondContact O-N 2.97Å; M106-V109 HydrophobicContact CE-CG2 3.8Å; M106-V109 WeakPolarHBondContact O-CB 3.4Å; M106-V109 PolarHBondContact O-N 2.97Å; M106-V109 HydrophobicContact SD-CB 4.45Å; M106-V109 HydrophobicContact SD-CG2 4.15Å; V109-L111 PolarHBondContact O-N 3.49Å; V109-E112 PolarHBondContact O-N 3.43Å; V109-L113 HydrophobicContact CG1-CD1 3.82Å; V109-L113 HydrophobicContact CG1-CG 4.22Å; V109-L113 WeakPolarHBondContact O-CB 3.31Å; V109-L113 VanDerWaalsContact O-CG 3.29Å; V109-L113 WeakPolarHBondContact O-CG 3.22Å; V109-L113 PolarHBondContact O-N 2.79Å; V109-V143 HydrophobicContact CG1-CG1 4.25Å; V109-V146 HydrophobicContact CB-CG1 4.49Å; V109-V146 HydrophobicContact CG1-CB 4.48Å; V109-V146 HydrophobicContact CG1-CG1 4.12Å
110E98.7Very high98.2Very high60 Ų6053.9 Ų53.928%0.2827%0.267SS..Hα-helixtrans-59.1-49.3178.2-166.2-165.6155.300112M106 N107 Q108 E112 L113 R114 V146 V150M106-E110 PolarHBondContact O-N 3.2Å; N107-E110 PolarHBondContact O-N 3.41Å; Q108-E110 VanDerWaalsContact C-N 3.32Å; Q108-E110 PolarHBondContact O-N 2.81Å; E110-E112 VanDerWaalsContact C-N 3.28Å; E110-E112 PolarHBondContact O-N 2.99Å; E110-L113 PolarHBondContact O-N 2.89Å; E110-R114 WeakPolarHBondContact O-CB 3.37Å; E110-R114 WeakPolarHBondContact O-CG 3.35Å; E110-R114 PolarHBondContact O-N 3.12Å; E110-R114 IonicContact OE1-CZ 3.23Å; E110-R114 VanDerWaalsContact OE1-CZ 3.23Å; E110-R114 IonicContact OE1-NE 2.79Å; E110-R114 PolarHBondContact OE1-NE 2.91Å; E110-R114 IonicContact OE1-NH2 2.76Å; E110-R114 PolarHBondContact OE1-NH2 2.91Å; E110-V146 VanDerWaalsContact CA-CG1 3.46Å; E110-V146 HydrophobicContact CB-CG1 3.5Å; E110-V146 VanDerWaalsContact CB-CG1 3.5Å; E110-V146 HydrophobicContact CG-CG1 3.94Å; E110-V150 HydrophobicContact CG-CG2 3.87Å
111L98.2Very high98.3Very high68 Ų6849.2 Ų49.236%0.35625%0.247SC..Hα-helixtrans-59.1-41.2-180-72.7167.3000111.8Y73 N107 Q108 V109 A115Y73-L111 HydrophobicContact CD1-CB 3.75Å; Y73-L111 HydrophobicContact CD1-CD1 4.46Å; Y73-L111 HydrophobicContact CE1-CB 3.93Å; Y73-L111 HydrophobicContact CE1-CD1 3.89Å; Y73-L111 HydrophobicContact CE1-CD2 4.32Å; Y73-L111 HydrophobicContact CE1-CG 4.28Å; Y73-L111 HydrophobicContact CG-CB 4.46Å; N107-L111 VanDerWaalsContact O-CG 3.25Å; N107-L111 WeakPolarHBondContact O-CG 3.15Å; N107-L111 PolarHBondContact O-N 3.02Å; Q108-L111 PolarHBondContact O-N 2.99Å; V109-L111 PolarHBondContact O-N 3.49Å; L111-A115 WeakPolarHBondContact O-CB 3.45Å; L111-A115 PolarHBondContact O-N 3.25Å
112E98.6Very high98.3Very high0 Ų048.9 Ų48.90%025%0.248CC..Hα-helixtrans-68.3-48.8177.3178.554.3-159.300112.1L66 P71 V72 Y73 L76 L82 F89 Q108 V109 E110 R114 A115 Q116L66-E112 HydrophobicContact CD2-CB 4.3Å; L66-E112 HydrophobicContact CD2-CG 3.83Å; P71-E112 WeakPolarHBondContact CB-OE2 3.28Å; V72-E112 PolarHBondContact N-OE1 2.8Å; V72-E112 PolarHBondContact N-OE2 2.77Å; V72-E112 VanDerWaalsContact N-OE2 3.14Å; Y73-E112 VanDerWaalsContact CB-OE2 3.31Å; Y73-E112 WeakPolarHBondContact CB-OE2 3.29Å; Y73-E112 PolarHBondContact N-OE2 2.96Å; L76-E112 HydrophobicContact CD1-CB 3.87Å; L82-E112 HydrophobicContact CD1-CB 4.29Å; F89-E112 HydrophobicContact CE1-CG 4.44Å; F89-E112 HydrophobicContact CZ-CG 3.97Å; Q108-E112 WeakPolarHBondContact O-CB 3.33Å; Q108-E112 PolarHBondContact O-N 3.31Å; V109-E112 PolarHBondContact O-N 3.43Å; E110-E112 VanDerWaalsContact C-N 3.28Å; E110-E112 PolarHBondContact O-N 2.99Å; E112-R114 VanDerWaalsContact C-N 3.3Å; E112-R114 PolarHBondContact O-N 3.46Å; E112-A115 CarbonylContact O-C 3.09Å; E112-A115 WeakPolarHBondContact O-CA 3.34Å; E112-A115 WeakPolarHBondContact O-CB 3.29Å; E112-A115 PolarHBondContact O-N 3.37Å; E112-Q116 PolarHBondContact O-N 2.68Å; E112-Q116 WeakPolarHBondContact OE1-CG 3.43Å; E112-Q116 PolarHBondContact OE1-NE2 3.45Å
113L98.8Very high98.4Very high1 Ų146.6 Ų46.61%0.00522%0.22CC..Hα-helixtrans-58.6-42.6178.3-69.3176.1000111.5A64 L66 V109 E110 A115 Q116 V117 M131 V146 F147 V150A64-L113 HydrophobicContact CB-CD2 3.86Å; L66-L113 HydrophobicContact CD1-CD2 4.35Å; L66-L113 HydrophobicContact CD2-CD2 4.34Å; L66-L113 HydrophobicContact CG-CD2 4.41Å; V109-L113 HydrophobicContact CG1-CD1 3.82Å; V109-L113 HydrophobicContact CG1-CG 4.22Å; V109-L113 WeakPolarHBondContact O-CB 3.31Å; V109-L113 VanDerWaalsContact O-CG 3.29Å; V109-L113 WeakPolarHBondContact O-CG 3.22Å; V109-L113 PolarHBondContact O-N 2.79Å; E110-L113 PolarHBondContact O-N 2.89Å; L113-A115 VanDerWaalsContact C-N 3.35Å; L113-A115 PolarHBondContact O-N 3.19Å; L113-Q116 PolarHBondContact O-N 3.18Å; L113-V117 VanDerWaalsContact O-CG2 3.23Å; L113-V117 WeakPolarHBondContact O-CG2 3.32Å; L113-V117 PolarHBondContact O-N 3.18Å; L113-M131 HydrophobicContact CB-CE 4.49Å; L113-M131 HydrophobicContact CD2-CE 3.85Å; L113-V146 HydrophobicContact CD1-CG1 4.28Å; L113-F147 HydrophobicContact CD1-CB 4.2Å; L113-F147 HydrophobicContact CD1-CD2 4.13Å; L113-F147 HydrophobicContact CD2-CD2 4.34Å; L113-V150 HydrophobicContact CB-CG1 4.42Å; L113-V150 HydrophobicContact CB-CG2 4.36Å
114R98.8Very high98.5Very high57 Ų5742.7 Ų42.722%0.21520%0.204CC..Hα-helixtrans-65.7-36.4174.1-69.2-175.9-172.5-75.13.7112.4E110 E112 V117 R118 V150 D153E110-R114 WeakPolarHBondContact O-CB 3.37Å; E110-R114 WeakPolarHBondContact O-CG 3.35Å; E110-R114 PolarHBondContact O-N 3.12Å; E110-R114 IonicContact OE1-CZ 3.23Å; E110-R114 VanDerWaalsContact OE1-CZ 3.23Å; E110-R114 IonicContact OE1-NE 2.79Å; E110-R114 PolarHBondContact OE1-NE 2.91Å; E110-R114 IonicContact OE1-NH2 2.76Å; E110-R114 PolarHBondContact OE1-NH2 2.91Å; E112-R114 VanDerWaalsContact C-N 3.3Å; E112-R114 PolarHBondContact O-N 3.46Å; R114-V117 PolarHBondContact O-N 2.86Å; R114-R118 WeakPolarHBondContact O-CG 3.38Å; R114-R118 PolarHBondContact O-N 3.1Å; R114-R118 PolarHBondContact O-NE 2.94Å; R114-V150 HydrophobicContact CG-CG1 4.08Å; R114-V150 HydrophobicContact CG-CG2 3.9Å; R114-D153 IonicContact CZ-OD2 3.49Å; R114-D153 IonicContact NH1-OD2 3.43Å; R114-D153 PolarHBondContact NH1-OD2 2.89Å; R114-D153 IonicContact NH2-OD2 2.68Å; R114-D153 PolarHBondContact NH2-OD2 3.01Å
115A98.6Very high98.5Very high5 Ų545.1 Ų45.14%0.04123%0.233CC..Hα-helixtrans-64.9-41174.100000111.8V72 Y73 L111 E112 L113 R118 R119V72-A115 HydrophobicContact CB-CB 4.21Å; V72-A115 HydrophobicContact CG1-CB 4.04Å; Y73-A115 HydrophobicContact CD2-CB 4.33Å; Y73-A115 HydrophobicContact CG-CB 4.37Å; L111-A115 WeakPolarHBondContact O-CB 3.45Å; L111-A115 PolarHBondContact O-N 3.25Å; E112-A115 CarbonylContact O-C 3.09Å; E112-A115 WeakPolarHBondContact O-CA 3.34Å; E112-A115 WeakPolarHBondContact O-CB 3.29Å; E112-A115 PolarHBondContact O-N 3.37Å; L113-A115 VanDerWaalsContact C-N 3.35Å; L113-A115 PolarHBondContact O-N 3.19Å; A115-R118 PolarHBondContact O-N 3.2Å; A115-R119 WeakPolarHBondContact O-CB 3.24Å; A115-R119 PolarHBondContact O-N 3.15Å
116Q98.8Very high98.5Very high0 Ų046.8 Ų46.80%024%0.236CC..Hα-helixtrans-64.1-40.4174.6-71.1-176.732.800112.5V41 L62 N65 V72 E112 L113 R119 F120V41-Q116 HydrophobicContact CG2-CB 3.67Å; V41-Q116 HydrophobicContact CG2-CG 3.74Å; L62-Q116 HydrophobicContact CD1-CB 4.41Å; L62-Q116 HydrophobicContact CD2-CB 4.22Å; N65-Q116 PolarHBondContact O-NE2 3.02Å; V72-Q116 HydrophobicContact CB-CG 4.2Å; V72-Q116 HydrophobicContact CG2-CG 3.72Å; E112-Q116 PolarHBondContact O-N 2.68Å; E112-Q116 WeakPolarHBondContact OE1-CG 3.43Å; E112-Q116 PolarHBondContact OE1-NE2 3.45Å; L113-Q116 PolarHBondContact O-N 3.18Å; Q116-R119 PolarHBondContact O-N 3.04Å; Q116-F120 WeakPolarHBondContact O-CB 3.35Å; Q116-F120 PolarHBondContact O-N 3.04Å
117V98.9Very high98.5Very high4 Ų448.6 Ų48.62%0.02425%0.246CC..Hα-helixtrans-60.7-46.3172.8176.30000110.9L62 L113 R114 R119 F120 I121 L127 M131 V150 V154 I156L62-V117 HydrophobicContact CD2-CB 4.37Å; L62-V117 HydrophobicContact CD2-CG2 3.77Å; L113-V117 VanDerWaalsContact O-CG2 3.23Å; L113-V117 WeakPolarHBondContact O-CG2 3.32Å; L113-V117 PolarHBondContact O-N 3.18Å; R114-V117 PolarHBondContact O-N 2.86Å; V117-R119 VanDerWaalsContact C-N 3.33Å; V117-R119 PolarHBondContact O-N 3.24Å; V117-F120 WeakPolarHBondContact O-CB 3.18Å; V117-F120 PolarHBondContact O-N 2.62Å; V117-I121 HydrophobicContact CG1-CD1 4.3Å; V117-I121 WeakPolarHBondContact O-CG1 3.3Å; V117-I121 PolarHBondContact O-N 3.36Å; V117-I121 VanDerWaalsContact O-N 3.11Å; V117-L127 HydrophobicContact CG1-CD2 4.24Å; V117-M131 HydrophobicContact CG2-CE 4.27Å; V117-M131 HydrophobicContact CG2-SD 4.05Å; V117-V150 HydrophobicContact CG2-CG1 4.22Å; V117-V154 HydrophobicContact CG1-CG2 4.14Å; V117-I156 HydrophobicContact CG1-CD1 4.36Å; V117-I156 HydrophobicContact CG2-CD1 4.17Å
118R98.8Very high98.5Very high127 Ų12743.4 Ų43.448%0.47922%0.219SC..Hα-helixtrans-59.8-44.7175.6-74.2-179.6-68.3-144.1-1.8111.6R114 A115 F120 I121 E122R114-R118 WeakPolarHBondContact O-CG 3.38Å; R114-R118 PolarHBondContact O-N 3.1Å; R114-R118 PolarHBondContact O-NE 2.94Å; A115-R118 PolarHBondContact O-N 3.2Å; R118-F120 VanDerWaalsContact C-N 3.32Å; R118-F120 PolarHBondContact O-N 3.42Å; R118-I121 WeakPolarHBondContact O-CB 3.48Å; R118-I121 PolarHBondContact O-N 3.05Å; R118-I121 VanDerWaalsContact O-N 3.15Å; R118-E122 WeakPolarHBondContact O-CG 3.39Å; R118-E122 PolarHBondContact O-N 3.39Å
119R98.8Very high98.4Very high89 Ų8945.6 Ų45.634%0.33623%0.228SC..Hα-helixtrans-63-38.9177.9-17758.2177.8165.90.1112.2V41 V72 A115 Q116 V117 I121 E122 L123V41-R119 HydrophobicContact CB-CB 4.28Å; V41-R119 HydrophobicContact CB-CG 3.86Å; V41-R119 HydrophobicContact CG2-CB 4.31Å; V41-R119 HydrophobicContact CG2-CG 4.3Å; V72-R119 HydrophobicContact CG1-CB 3.85Å; V72-R119 HydrophobicContact CG1-CG 4.26Å; A115-R119 WeakPolarHBondContact O-CB 3.24Å; A115-R119 PolarHBondContact O-N 3.15Å; Q116-R119 PolarHBondContact O-N 3.04Å; V117-R119 VanDerWaalsContact C-N 3.33Å; V117-R119 PolarHBondContact O-N 3.24Å; R119-I121 VanDerWaalsContact C-N 3.32Å; R119-I121 PolarHBondContact O-N 3.23Å; R119-E122 VanDerWaalsContact CD-OE2 3.25Å; R119-E122 WeakPolarHBondContact CD-OE2 3.45Å; R119-E122 IonicContact CZ-OE2 3.95Å; R119-E122 IonicContact NH1-OE2 3.56Å; R119-E122 PolarHBondContact NH1-OE2 3.02Å; R119-E122 WeakPolarHBondContact O-CB 3.42Å; R119-E122 PolarHBondContact O-N 3.47Å; R119-L123 HydrophobicContact CG-CD1 4.19Å; R119-L123 HydrophobicContact CG-CG 4.49Å; R119-L123 VanDerWaalsContact O-CG 3.28Å; R119-L123 WeakPolarHBondContact O-CG 3.25Å; R119-L123 PolarHBondContact O-N 2.75Å
120F98.9Very high98.4Very high0 Ų045.6 Ų45.60%023%0.229CC..Hα-helixtrans-57.4-47.1172.9-175.1-84000111.3L39 V41 I60 G61 L62 Q116 V117 R118 E122 L123 T124 H126 P128L39-F120 HydrophobicContact CB-CD2 4.45Å; L39-F120 HydrophobicContact CB-CE2 4.2Å; L39-F120 HydrophobicContact CD2-CD2 4.01Å; L39-F120 HydrophobicContact CD2-CE2 4.09Å; V41-F120 HydrophobicContact CG1-CB 3.95Å; V41-F120 HydrophobicContact CG1-CD2 4.06Å; I60-F120 HydrophobicContact CG1-CE2 4.02Å; I60-F120 HydrophobicContact CG1-CZ 4.16Å; I60-F120 HydrophobicContact CG2-CZ 4.21Å; G61-F120 VanDerWaalsContact C-CE2 3.43Å; G61-F120 VanDerWaalsContact O-CE2 3.32Å; G61-F120 WeakPolarHBondContact O-CE2 3.28Å; L62-F120 HydrophobicContact CB-CD2 3.9Å; L62-F120 HydrophobicContact CB-CE2 4.37Å; L62-F120 HydrophobicContact CB-CG 4.38Å; L62-F120 HydrophobicContact CD1-CB 4.31Å; L62-F120 HydrophobicContact CD1-CD2 4.14Å; L62-F120 HydrophobicContact CD2-CB 4.48Å; Q116-F120 WeakPolarHBondContact O-CB 3.35Å; Q116-F120 PolarHBondContact O-N 3.04Å; V117-F120 WeakPolarHBondContact O-CB 3.18Å; V117-F120 PolarHBondContact O-N 2.62Å; R118-F120 VanDerWaalsContact C-N 3.32Å; R118-F120 PolarHBondContact O-N 3.42Å; F120-E122 PolarHBondContact O-N 2.54Å; F120-L123 PolarHBondContact O-N 2.87Å; F120-T124 HydrophobicContact CD1-CG2 4.24Å; F120-T124 WeakPolarHBondContact CD1-OG1 3.27Å; F120-T124 HydrophobicContact CD2-CG2 4.43Å; F120-T124 HydrophobicContact CE1-CG2 3.86Å; F120-T124 WeakPolarHBondContact CE1-OG1 3.5Å; F120-T124 HydrophobicContact CE2-CG2 4.07Å; F120-T124 HydrophobicContact CZ-CG2 3.78Å; F120-T124 WeakPolarHBondContact O-CB 3.37Å; F120-T124 WeakPolarHBondContact O-CG2 3.39Å; F120-T124 PolarHBondContact O-N 2.95Å; F120-T124 PolarHBondContact O-OG1 3.06Å; F120-H126 WeakPolarHBondContact CD1-O 3.36Å; F120-H126 AromaticContact CE1-CE1 3.96Å; F120-P128 HydrophobicContact CD1-CB 3.9Å; F120-P128 HydrophobicContact CD1-CG 4.05Å; F120-P128 HydrophobicContact CD2-CB 4.44Å; F120-P128 HydrophobicContact CE1-CB 3.58Å; F120-P128 HydrophobicContact CE1-CG 4.21Å; F120-P128 HydrophobicContact CE2-CB 4.15Å; F120-P128 HydrophobicContact CG-CB 4.33Å; F120-P128 HydrophobicContact CG-CG 4.41Å; F120-P128 HydrophobicContact CZ-CB 3.7Å
121I98.8Very high98.4Very high64 Ų6442.8 Ų42.833%0.32822%0.215SC..Hα-helixtrans-63.1-42.3178.5-60.9162.2000110.8V117 R118 R119 L123 T124 G125 L127V117-I121 HydrophobicContact CG1-CD1 4.3Å; V117-I121 WeakPolarHBondContact O-CG1 3.3Å; V117-I121 PolarHBondContact O-N 3.36Å; V117-I121 VanDerWaalsContact O-N 3.11Å; R118-I121 WeakPolarHBondContact O-CB 3.48Å; R118-I121 PolarHBondContact O-N 3.05Å; R118-I121 VanDerWaalsContact O-N 3.15Å; R119-I121 VanDerWaalsContact C-N 3.32Å; R119-I121 PolarHBondContact O-N 3.23Å; I121-L123 VanDerWaalsContact C-N 3.27Å; I121-L123 PolarHBondContact O-N 2.9Å; I121-T124 PolarHBondContact O-N 3.34Å; I121-G125 VanDerWaalsContact O-CA 3.24Å; I121-G125 WeakPolarHBondContact O-CA 3.46Å; I121-G125 PolarHBondContact O-N 2.87Å; I121-L127 HydrophobicContact CD1-CD2 3.61Å; I121-L127 HydrophobicContact CD1-CG 4.34Å; I121-L127 HydrophobicContact CG1-CD2 4.05Å
122E98.7Very high98.5Very high130 Ų13039.5 Ų39.561%0.60720%0.198SC*.Hα-helixtrans-59.2-39175.7-70.3168.1-169.300112.5R118 R119 F120R118-E122 WeakPolarHBondContact O-CG 3.39Å; R118-E122 PolarHBondContact O-N 3.39Å; R119-E122 VanDerWaalsContact CD-OE2 3.25Å; R119-E122 WeakPolarHBondContact CD-OE2 3.45Å; R119-E122 IonicContact CZ-OE2 3.95Å; R119-E122 IonicContact NH1-OE2 3.56Å; R119-E122 PolarHBondContact NH1-OE2 3.02Å; R119-E122 WeakPolarHBondContact O-CB 3.42Å; R119-E122 PolarHBondContact O-N 3.47Å; F120-E122 PolarHBondContact O-N 2.54Å
123L98.8Very high98.5Very high16 Ų1639.5 Ų39.58%0.08420%0.198CC..Hα-helixtrans-78.5-35.7-177.6-70177.7000113L39 V41 A46 K47 A50 R119 F120 I121L39-L123 HydrophobicContact CD2-CD1 4.31Å; V41-L123 HydrophobicContact CB-CD1 4.36Å; V41-L123 HydrophobicContact CG1-CD1 4.27Å; A46-L123 HydrophobicContact CB-CD1 4.01Å; K47-L123 HydrophobicContact CB-CD2 4.13Å; K47-L123 HydrophobicContact CD-CD2 3.57Å; K47-L123 HydrophobicContact CG-CD2 4.47Å; A50-L123 HydrophobicContact CB-CB 3.88Å; R119-L123 HydrophobicContact CG-CD1 4.19Å; R119-L123 HydrophobicContact CG-CG 4.49Å; R119-L123 VanDerWaalsContact O-CG 3.28Å; R119-L123 WeakPolarHBondContact O-CG 3.25Å; R119-L123 PolarHBondContact O-N 2.75Å; F120-L123 PolarHBondContact O-N 2.87Å; I121-L123 VanDerWaalsContact C-N 3.27Å; I121-L123 PolarHBondContact O-N 2.9Å
124T98.6Very high98.4Very high33 Ų3340 Ų4020%0.20220%0.201CC..Hα-helixtrans-110.4-18.8-169.563.40000114.2L39 A50 F120 I121 H126L39-T124 HydrophobicContact CD2-CG2 4.42Å; A50-T124 HydrophobicContact CB-CG2 4.2Å; F120-T124 HydrophobicContact CD1-CG2 4.24Å; F120-T124 WeakPolarHBondContact CD1-OG1 3.27Å; F120-T124 HydrophobicContact CD2-CG2 4.43Å; F120-T124 HydrophobicContact CE1-CG2 3.86Å; F120-T124 WeakPolarHBondContact CE1-OG1 3.5Å; F120-T124 HydrophobicContact CE2-CG2 4.07Å; F120-T124 HydrophobicContact CZ-CG2 3.78Å; F120-T124 WeakPolarHBondContact O-CB 3.37Å; F120-T124 WeakPolarHBondContact O-CG2 3.39Å; F120-T124 PolarHBondContact O-N 2.95Å; F120-T124 PolarHBondContact O-OG1 3.06Å; I121-T124 PolarHBondContact O-N 3.34Å; T124-H126 VanDerWaalsContact C-N 3.3Å; T124-H126 PolarHBondContact O-CD2 3.31Å; T124-H126 PolarHBondContact OG1-N 3.21Å; T124-H126 PolarHBondContact OG1-O 3.41Å
125G98.4Very high98.3Very high67 Ų6739.2 Ų39.269%0.69120%0.199SC*.SBendtrans78.54.6-175.700000115I121I121-G125 VanDerWaalsContact O-CA 3.24Å; I121-G125 WeakPolarHBondContact O-CA 3.46Å; I121-G125 PolarHBondContact O-N 2.87Å
126H97.9Very high98.3Very high75 Ų7539.6 Ų39.635%0.34720%0.2SC..SBendtrans-146.5168.1179.863.879.6000112.5F120 T124F120-H126 WeakPolarHBondContact CD1-O 3.36Å; F120-H126 AromaticContact CE1-CE1 3.96Å; T124-H126 VanDerWaalsContact C-N 3.3Å; T124-H126 PolarHBondContact O-CD2 3.31Å; T124-H126 PolarHBondContact OG1-N 3.21Å; T124-H126 PolarHBondContact OG1-O 3.41Å
127L98Very high98.2Very high78 Ų7839.8 Ų39.841%0.40820%0.201SC..  trans-71.6146.8170.6-76.9165.7000110.7V117 I121V117-L127 HydrophobicContact CG1-CD2 4.24Å; I121-L127 HydrophobicContact CD1-CD2 3.61Å; I121-L127 HydrophobicContact CD1-CG 4.34Å; I121-L127 HydrophobicContact CG1-CD2 4.05Å
128P97.8Very high98.2Very high4 Ų439.7 Ų39.73%0.02620%0.201CC..  trans-69.3144.3173.630.6-33.4000110.3L62 F120 H130 I156L62-P128 HydrophobicContact CB-CB 4.05Å; L62-P128 HydrophobicContact CB-CG 4.06Å; F120-P128 HydrophobicContact CD1-CB 3.9Å; F120-P128 HydrophobicContact CD1-CG 4.05Å; F120-P128 HydrophobicContact CD2-CB 4.44Å; F120-P128 HydrophobicContact CE1-CB 3.58Å; F120-P128 HydrophobicContact CE1-CG 4.21Å; F120-P128 HydrophobicContact CE2-CB 4.15Å; F120-P128 HydrophobicContact CG-CB 4.33Å; F120-P128 HydrophobicContact CG-CG 4.41Å; F120-P128 HydrophobicContact CZ-CB 3.7Å; P128-H130 WeakPolarHBondContact CB-O 3.3Å; P128-I156 HydrophobicContact CG-CD1 3.53Å; P128-I156 HydrophobicContact CG-CG1 3.91Å
129H96Very high98.2Very high79 Ų7933.6 Ų33.637%0.36618%0.178SC..SBendtrans-80.1-25.4176.3-6686.4000112.3P157H129-P157 WeakPolarHBondContact O-CD 3.4Å; H129-P157 WeakPolarHBondContact O-CG 3.44Å
130H98.6Very high98.2Very high1 Ų129.6 Ų29.61%0.00516%0.163CC..BIsolated β-bridgetrans-138.4154.3172.779.2-73.5000110.1N36 V37 S38 G61 L62 P128 F158 F307N36-H130 PolarHBondContact ND2-CE1 3.01Å; N36-H130 PolarHBondContact ND2-ND1 3.12Å; V37-H130 PolarHBondContact O-CE1 3.23Å; S38-H130 PolarHBondContact OG-NE2 3.11Å; G61-H130 WeakPolarHBondContact CA-CE1 3.4Å; G61-H130 WeakPolarHBondContact CA-ND1 3.28Å; G61-H130 WeakPolarHBondContact CA-O 3.11Å; G61-H130 PolarHBondContact N-CE1 2.93Å; G61-H130 VanDerWaalsContact N-CE1 3.29Å; L62-H130 PolarHBondContact N-O 3.12Å; P128-H130 WeakPolarHBondContact CB-O 3.3Å; H130-F158 VanDerWaalsContact CA-O 3.28Å; H130-F158 WeakPolarHBondContact CA-O 3.5Å; H130-F158 HydrophobicContact CB-CB 3.82Å; H130-F307 HydrophobicContact CB-CB 4.06Å; H130-F307 HydrophobicContact CB-CD1 4.02Å; H130-F307 HydrophobicContact CB-CD2 3.54Å; H130-F307 HydrophobicContact CB-CE1 4.31Å; H130-F307 HydrophobicContact CB-CE2 3.87Å; H130-F307 HydrophobicContact CB-CG 3.61Å; H130-F307 HydrophobicContact CB-CZ 4.25Å; H130-F307 AromaticContact CD2-CD2 3.83Å; H130-F307 AromaticContact CD2-CE2 3.48Å; H130-F307 VanDerWaalsContact CD2-CE2 3.48Å; H130-F307 WeakPolarHBondContact CD2-CE2 3.2Å; H130-F307 AromaticContact CE1-CD2 3.95Å; H130-F307 AromaticContact CG-CD2 3.25Å; H130-F307 AromaticContact CG-CE2 3.42Å; H130-F307 VanDerWaalsContact CG-CE2 3.42Å; H130-F307 AromaticContact CG-CG 3.9Å; H130-F307 AromaticContact ND1-CD2 3.34Å; H130-F307 VanDerWaalsContact ND1-CD2 3.34Å; H130-F307 WeakPolarHBondContact ND1-CD2 3.27Å; H130-F307 AromaticContact ND1-CE2 3.81Å; H130-F307 AromaticContact NE2-CE2 3.89Å
131M98.8Very high98.2Very high0 Ų032 Ų320%018%0.179CC..EExtended strand (participates in β ladder)trans-134.6127169.4-175.5174.617800108.3L62 A64 L113 V117 F147 L151 I156 F158 T159L62-M131 HydrophobicContact CB-CB 4.38Å; L62-M131 HydrophobicContact CB-CG 4.02Å; L62-M131 HydrophobicContact CD2-CE 3.58Å; L62-M131 HydrophobicContact CD2-CG 4.13Å; L62-M131 HydrophobicContact CD2-SD 3.69Å; L62-M131 HydrophobicContact CG-CE 4.14Å; L62-M131 HydrophobicContact CG-CG 4.05Å; L62-M131 HydrophobicContact CG-SD 4.27Å; L62-M131 VanDerWaalsContact O-CA 3.31Å; L62-M131 WeakPolarHBondContact O-CA 3.24Å; A64-M131 HydrophobicContact CB-CE 3.38Å; A64-M131 HydrophobicContact CB-CG 4.34Å; L113-M131 HydrophobicContact CB-CE 4.49Å; L113-M131 HydrophobicContact CD2-CE 3.85Å; V117-M131 HydrophobicContact CG2-CE 4.27Å; V117-M131 HydrophobicContact CG2-SD 4.05Å; M131-F147 HydrophobicContact CB-CZ 4.16Å; M131-F147 HydrophobicContact CE-CD2 4.34Å; M131-F147 HydrophobicContact CE-CE2 3.83Å; M131-F147 HydrophobicContact CG-CE2 3.77Å; M131-F147 HydrophobicContact CG-CZ 3.77Å; M131-F147 WeakPolarHBondContact O-CZ 3.45Å; M131-F147 HydrophobicContact SD-CE2 4.01Å; M131-F147 HydrophobicContact SD-CZ 4.35Å; M131-L151 HydrophobicContact CB-CD1 4.15Å; M131-L151 HydrophobicContact CB-CD2 4.42Å; M131-L151 HydrophobicContact CB-CG 4.35Å; M131-L151 HydrophobicContact CG-CD1 4.21Å; M131-L151 HydrophobicContact SD-CD1 3.58Å; M131-L151 VanDerWaalsContact SD-CD1 3.58Å; M131-I156 HydrophobicContact CB-CD1 4.41Å; M131-I156 HydrophobicContact CB-CG2 4.04Å; M131-I156 HydrophobicContact SD-CD1 4.11Å; M131-F158 PolarHBondContact N-O 2.91Å; M131-T159 VanDerWaalsContact O-CA 3.29Å; M131-T159 WeakPolarHBondContact O-CA 3.5Å; M131-T159 VanDerWaalsContact O-CB 3.28Å; M131-T159 WeakPolarHBondContact O-CB 3.43Å; M131-T159 PolarHBondContact O-OG1 3.35Å
132D98.8Very high98.1Very high0 Ų033.7 Ų33.70%019%0.188CC..EExtended strand (participates in β ladder)trans-120.9-176.6172.663.3-2000109.4S38 L62 H63 A64 R160S38-D132 WeakPolarHBondContact CB-OD1 3.45Å; S38-D132 PolarHBondContact OG-OD1 3.47Å; S38-D132 PolarHBondContact OG-OD2 2.68Å; L62-D132 PolarHBondContact O-N 2.88Å; L62-D132 VanDerWaalsContact O-N 3.1Å; H63-D132 WeakPolarHBondContact CA-OD1 3.36Å; H63-D132 IonicContact CE1-OD1 2.88Å; H63-D132 IonicContact CE1-OD2 3.49Å; H63-D132 IonicContact CG-OD1 3.3Å; H63-D132 VanDerWaalsContact ND1-CG 3.32Å; H63-D132 IonicContact ND1-OD1 3.22Å; H63-D132 PolarHBondContact ND1-OD1 3.3Å; H63-D132 IonicContact ND1-OD2 3.12Å; H63-D132 PolarHBondContact ND1-OD2 3.03Å; A64-D132 WeakPolarHBondContact CB-O 3.26Å; A64-D132 PolarHBondContact N-O 3.2Å; D132-R160 HydrophobicContact CB-CB 3.85Å; D132-R160 IonicContact OD2-CZ 3.92Å; D132-R160 IonicContact OD2-NE 3.51Å; D132-R160 IonicContact OD2-NH1 3.38Å; D132-R160 PolarHBondContact OD2-NH1 3.06Å; D132-R160 IonicContact OD2-NH2 2.79Å; D132-R160 PolarHBondContact OD2-NH2 3.38Å; D132-R160 VanDerWaalsContact OD2-NH2 3.12Å
133G98.4Very high98.2Very high0 Ų027.5 Ų27.50%016%0.159CC..EExtended strand (participates in β ladder)trans-119.7129.8-178.600000112.2A64 Q135 H136 H138A64-G133 CarbonylContact O-C 3.58Å; A64-G133 WeakPolarHBondContact O-CA 3.41Å; G133-Q135 PolarHBondContact O-N 2.91Å; G133-H136 WeakPolarHBondContact O-CA 3.24Å; G133-H136 PolarHBondContact O-N 3.3Å; G133-H138 WeakPolarHBondContact CA-ND1 3.49Å; G133-H138 PolarHBondContact N-ND1 3.05Å; G133-H138 VanDerWaalsContact N-ND1 3.18Å
134H98Very high98.1Very high12 Ų1227.7 Ų27.76%0.05616%0.159CC..G310 helixtrans-55.5130.5166.4-173.962.2000109.5D14 L40 H63 A64 N65 E68 H136 V137D14-H134 IonicContact OD1-CE1 2.66Å; D14-H134 PolarHBondContact OD1-CE1 2.85Å; D14-H134 VanDerWaalsContact OD1-CE1 3.22Å; D14-H134 IonicContact OD1-ND1 3.85Å; D14-H134 PolarHBondContact OD1-ND1 2.74Å; L40-H134 HydrophobicContact CD2-CB 3.99Å; H63-H134 AromaticContact CD2-ND1 3.67Å; H63-H134 PolarHBondContact CE1-N 2.95Å; H63-H134 VanDerWaalsContact NE2-CA 3.28Å; H63-H134 WeakPolarHBondContact NE2-CA 3.34Å; H63-H134 AromaticContact NE2-CG 3.91Å; H63-H134 AromaticContact NE2-ND1 3.42Å; H63-H134 PolarHBondContact NE2-ND1 3.39Å; A64-H134 PolarHBondContact O-N 3.24Å; N65-H134 HydrophobicContact CB-CB 4.21Å; E68-H134 IonicContact OE2-NE2 3.23Å; H134-H136 PolarHBondContact O-N 3.49Å; H134-V137 WeakPolarHBondContact O-CG1 3.25Å; H134-V137 WeakPolarHBondContact O-CG2 3.43Å; H134-V137 PolarHBondContact O-N 3.22Å
135Q95.9Very high98.2Very high39 Ų3929.8 Ų29.818%0.18217%0.166CC..G310 helixtrans54.825.2-174.8-57.1165.6-1300114S67 K92 R96 G133 V137S67-Q135 PolarHBondContact OG-OE1 2.9Å; K92-Q135 HydrophobicContact CD-CB 4.36Å; K92-Q135 HydrophobicContact CD-CG 4.2Å; K92-Q135 HydrophobicContact CG-CB 4.24Å; K92-Q135 HydrophobicContact CG-CG 4.33Å; R96-Q135 PolarHBondContact NH2-O 3.06Å; R96-Q135 VanDerWaalsContact NH2-O 3.08Å; G133-Q135 PolarHBondContact O-N 2.91Å; Q135-V137 VanDerWaalsContact C-N 3.27Å; Q135-V137 PolarHBondContact O-N 3.02Å
136H98.1Very high98.2Very high14 Ų1427.5 Ų27.57%0.06514%0.139CC..G310 helixtrans58.432.4-179.4-46.4-59.2000114.1G133 H134 H138 V139 P162 V184 Y206G133-H136 WeakPolarHBondContact O-CA 3.24Å; G133-H136 PolarHBondContact O-N 3.3Å; H134-H136 PolarHBondContact O-N 3.49Å; H136-H138 PolarHBondContact O-N 2.62Å; H136-H138 VanDerWaalsContact O-N 3.17Å; H136-V139 HydrophobicContact CB-CG2 4.23Å; H136-V139 VanDerWaalsContact O-CG2 3.32Å; H136-V139 WeakPolarHBondContact O-CG2 3.4Å; H136-V139 PolarHBondContact O-N 3.39Å; H136-P162 HydrophobicContact CB-CG 4.47Å; H136-V184 HydrophobicContact CB-CG1 3.98Å; H136-V184 HydrophobicContact CB-CG2 4.43Å; H136-Y206 PolarHBondContact CE1-OH 2.82Å
137V98.1Very high98.2Very high4 Ų424 Ų242%0.02412%0.123CC..G310 helixtrans-60.3-25179.5-68.70000113.4L66 H134 Q135 V139 L140 V143L66-V137 HydrophobicContact CB-CG2 4.31Å; L66-V137 HydrophobicContact CD1-CG2 4.28Å; L66-V137 HydrophobicContact CG-CG2 4.36Å; H134-V137 WeakPolarHBondContact O-CG1 3.25Å; H134-V137 WeakPolarHBondContact O-CG2 3.43Å; H134-V137 PolarHBondContact O-N 3.22Å; Q135-V137 VanDerWaalsContact C-N 3.27Å; Q135-V137 PolarHBondContact O-N 3.02Å; V137-V139 VanDerWaalsContact C-N 3.3Å; V137-V139 PolarHBondContact O-N 3.4Å; V137-L140 HydrophobicContact CB-CD1 4.19Å; V137-L140 HydrophobicContact CG1-CD1 4.25Å; V137-L140 WeakPolarHBondContact O-CB 3.41Å; V137-L140 WeakPolarHBondContact O-CG 3.26Å; V137-L140 PolarHBondContact O-N 3.2Å; V137-V143 VanDerWaalsContact O-CG1 3.27Å; V137-V143 WeakPolarHBondContact O-CG1 3.5Å
138H98.8Very high98.3Very high1 Ų120.3 Ų20.31%0.00510%0.103CC..G310 helixtrans-72.6-16.8-174.167.1-59.1000114.5G133 H136 R144 F147 T159 R160G133-H138 WeakPolarHBondContact CA-ND1 3.49Å; G133-H138 PolarHBondContact N-ND1 3.05Å; G133-H138 VanDerWaalsContact N-ND1 3.18Å; H136-H138 PolarHBondContact O-N 2.62Å; H136-H138 VanDerWaalsContact O-N 3.17Å; H138-R144 VanDerWaalsContact O-CA 3.3Å; H138-R144 WeakPolarHBondContact O-CA 3.22Å; H138-F147 HydrophobicContact CB-CD1 3.95Å; H138-F147 HydrophobicContact CB-CD2 3.6Å; H138-F147 HydrophobicContact CB-CE1 3.88Å; H138-F147 HydrophobicContact CB-CE2 3.5Å; H138-F147 HydrophobicContact CB-CG 3.81Å; H138-F147 HydrophobicContact CB-CZ 3.65Å; H138-F147 AromaticContact CD2-CE1 3.96Å; H138-T159 PolarHBondContact CD2-OG1 2.91Å; H138-R160 PolarHBondContact NE2-O 3.2Å
139V98.7Very high98.3Very high0 Ų023.2 Ų23.20%012%0.117CC..G310 helixtrans-97.4-3.7175.9-63.80000113.5H136 V137 R144 P162 D187 A188 F195H136-V139 HydrophobicContact CB-CG2 4.23Å; H136-V139 VanDerWaalsContact O-CG2 3.32Å; H136-V139 WeakPolarHBondContact O-CG2 3.4Å; H136-V139 PolarHBondContact O-N 3.39Å; V137-V139 VanDerWaalsContact C-N 3.3Å; V137-V139 PolarHBondContact O-N 3.4Å; V139-R144 PolarHBondContact O-NE 2.75Å; V139-R144 PolarHBondContact O-NH2 2.88Å; V139-P162 HydrophobicContact CG1-CG 4.48Å; V139-P162 HydrophobicContact CG2-CG 4.32Å; V139-D187 HydrophobicContact CB-CB 4.37Å; V139-D187 HydrophobicContact CG2-CB 3.96Å; V139-A188 HydrophobicContact CG1-CB 4.33Å; V139-F195 HydrophobicContact CG1-CE2 4.23Å; V139-F195 HydrophobicContact CG1-CZ 4.29Å
140L98.7Very high98.5Very high4 Ų419.5 Ų19.52%0.02110%0.099CC..SBendtrans-60.6154-178.4-71.5177.9000112.5F95 R96 L99 V137 V143 R144 D187F95-L140 HydrophobicContact CD1-CD1 3.84Å; F95-L140 HydrophobicContact CE1-CD1 3.72Å; R96-L140 HydrophobicContact CG-CD1 4.17Å; R96-L140 HydrophobicContact CG-CD2 4.31Å; L99-L140 HydrophobicContact CD2-CB 3.73Å; L99-L140 HydrophobicContact CD2-CD1 4.07Å; L99-L140 HydrophobicContact CD2-CG 4.36Å; V137-L140 HydrophobicContact CB-CD1 4.19Å; V137-L140 HydrophobicContact CG1-CD1 4.25Å; V137-L140 WeakPolarHBondContact O-CB 3.41Å; V137-L140 WeakPolarHBondContact O-CG 3.26Å; V137-L140 PolarHBondContact O-N 3.2Å; L140-V143 HydrophobicContact CB-CB 4.12Å; L140-V143 HydrophobicContact CB-CG2 4.17Å; L140-V143 PolarHBondContact O-N 3Å; L140-R144 WeakPolarHBondContact O-CB 3.01Å; L140-R144 PolarHBondContact O-N 2.84Å; L140-R144 PolarHBondContact O-NE 3.44Å; L140-D187 WeakPolarHBondContact CD2-OD2 3.48Å
141P98.4Very high98.5Very high52 Ų5219.5 Ų19.534%0.33810%0.099SC..THydrogen-bonded Turntrans-48.6141.2170.7-25.534.1000111.8L99 V143 R144L99-P141 WeakPolarHBondContact CD2-O 3.28Å; P141-V143 PolarHBondContact O-N 2.85Å; P141-R144 VanDerWaalsContact CA-NH2 3.28Å
142D97.8Very high98.5Very high98 Ų9821.6 Ų21.652%0.52411%0.114SC..THydrogen-bonded Turntrans62.3-43.7-175.9-50.4-40.1000115.8L99 M106 R144 E145 V146L99-D142 HydrophobicContact CD1-CB 4.45Å; M106-D142 HydrophobicContact CE-CB 4.47Å; M106-D142 HydrophobicContact CG-CB 4.01Å; M106-D142 HydrophobicContact SD-CB 3.71Å; D142-R144 VanDerWaalsContact C-N 3.3Å; D142-R144 PolarHBondContact O-N 3.28Å; D142-E145 PolarHBondContact O-N 3Å; D142-V146 PolarHBondContact O-N 2.81Å
143V98.8Very high98.5Very high0 Ų025.3 Ų25.30%013%0.134CC..Hα-helixtrans-59.7-40.5177.2-179.40000111.2L66 F95 L99 M106 V109 V137 L140 P141 E145 V146 F147L66-V143 HydrophobicContact CD1-CG1 3.99Å; F95-V143 HydrophobicContact CE1-CG2 4.02Å; F95-V143 HydrophobicContact CZ-CG2 4.02Å; L99-V143 HydrophobicContact CD1-CG2 4.29Å; L99-V143 HydrophobicContact CD2-CG2 4.27Å; M106-V143 HydrophobicContact CE-CG2 4.42Å; M106-V143 HydrophobicContact SD-CG2 4.28Å; V109-V143 HydrophobicContact CG1-CG1 4.25Å; V137-V143 VanDerWaalsContact O-CG1 3.27Å; V137-V143 WeakPolarHBondContact O-CG1 3.5Å; L140-V143 HydrophobicContact CB-CB 4.12Å; L140-V143 HydrophobicContact CB-CG2 4.17Å; L140-V143 PolarHBondContact O-N 3Å; P141-V143 PolarHBondContact O-N 2.85Å; V143-E145 PolarHBondContact O-N 3.43Å; V143-V146 PolarHBondContact O-N 2.99Å; V143-F147 WeakPolarHBondContact O-CB 3.33Å; V143-F147 PolarHBondContact O-N 2.85Å
144R98.7Very high98.4Very high21 Ų2127 Ų278%0.07915%0.145CC..Hα-helixtrans-55.2-35.7178.770.8-170.583.5-161.35.1113.8H138 V139 L140 P141 D142 A148 D187 D190 S191 V194 F195H138-R144 VanDerWaalsContact O-CA 3.3Å; H138-R144 WeakPolarHBondContact O-CA 3.22Å; V139-R144 PolarHBondContact O-NE 2.75Å; V139-R144 PolarHBondContact O-NH2 2.88Å; L140-R144 WeakPolarHBondContact O-CB 3.01Å; L140-R144 PolarHBondContact O-N 2.84Å; L140-R144 PolarHBondContact O-NE 3.44Å; P141-R144 VanDerWaalsContact CA-NH2 3.28Å; D142-R144 VanDerWaalsContact C-N 3.3Å; D142-R144 PolarHBondContact O-N 3.28Å; R144-A148 WeakPolarHBondContact O-CB 3.35Å; R144-A148 PolarHBondContact O-N 3.01Å; R144-D187 PolarHBondContact NH1-O 3.29Å; R144-D187 IonicContact NH2-OD1 3.69Å; R144-D190 PolarHBondContact NH1-O 2.65Å; R144-S191 VanDerWaalsContact NH1-N 3.16Å; R144-V194 HydrophobicContact CG-CG1 4.43Å; R144-V194 HydrophobicContact CG-CG2 4.22Å; R144-F195 HydrophobicContact CB-CE1 4.41Å
145E98.8Very high98.4Very high76 Ų7636.8 Ų36.836%0.35518%0.181SC..Hα-helixtrans-71.4-51.1-179.5-172.870.2-160.400109.8D142 V143 F147 A148 Q149 V194 Y198D142-E145 PolarHBondContact O-N 3Å; V143-E145 PolarHBondContact O-N 3.43Å; E145-F147 VanDerWaalsContact C-N 3.32Å; E145-F147 PolarHBondContact O-N 2.87Å; E145-A148 PolarHBondContact O-N 3.28Å; E145-Q149 WeakPolarHBondContact O-CB 3.45Å; E145-Q149 PolarHBondContact O-N 3.47Å; E145-V194 VanDerWaalsContact OE2-CG1 3.26Å; E145-V194 WeakPolarHBondContact OE2-CG1 3.27Å; E145-Y198 WeakPolarHBondContact OE1-CE2 3.08Å; E145-Y198 PolarHBondContact OE1-OH 3.13Å
146V98.8Very high98.6Very high20 Ų2035 Ų3512%0.12117%0.173CC..Hα-helixtrans-60.2-45177.4-178.90000111M106 V109 E110 L113 D142 V143 Q149 V150M106-V146 HydrophobicContact CB-CG2 3.82Å; M106-V146 HydrophobicContact CG-CG2 4.21Å; M106-V146 HydrophobicContact SD-CG2 4.09Å; V109-V146 HydrophobicContact CB-CG1 4.49Å; V109-V146 HydrophobicContact CG1-CB 4.48Å; V109-V146 HydrophobicContact CG1-CG1 4.12Å; E110-V146 VanDerWaalsContact CA-CG1 3.46Å; E110-V146 HydrophobicContact CB-CG1 3.5Å; E110-V146 VanDerWaalsContact CB-CG1 3.5Å; E110-V146 HydrophobicContact CG-CG1 3.94Å; L113-V146 HydrophobicContact CD1-CG1 4.28Å; D142-V146 PolarHBondContact O-N 2.81Å; V143-V146 PolarHBondContact O-N 2.99Å; V146-Q149 PolarHBondContact O-N 3.31Å; V146-V150 WeakPolarHBondContact O-CG2 3.39Å; V146-V150 PolarHBondContact O-N 2.95Å
147F98.9Very high98.5Very high1 Ų136.6 Ų36.60%0.00418%0.184CC..Hα-helixtrans-59.4-51.4177.9-178-90.8000110.8A64 L113 M131 H138 V143 E145 Q149 V150 L151 T159 F195A64-F147 HydrophobicContact CB-CE2 4Å; L113-F147 HydrophobicContact CD1-CB 4.2Å; L113-F147 HydrophobicContact CD1-CD2 4.13Å; L113-F147 HydrophobicContact CD2-CD2 4.34Å; M131-F147 HydrophobicContact CB-CZ 4.16Å; M131-F147 HydrophobicContact CE-CD2 4.34Å; M131-F147 HydrophobicContact CE-CE2 3.83Å; M131-F147 HydrophobicContact CG-CE2 3.77Å; M131-F147 HydrophobicContact CG-CZ 3.77Å; M131-F147 WeakPolarHBondContact O-CZ 3.45Å; M131-F147 HydrophobicContact SD-CE2 4.01Å; M131-F147 HydrophobicContact SD-CZ 4.35Å; H138-F147 HydrophobicContact CB-CD1 3.95Å; H138-F147 HydrophobicContact CB-CD2 3.6Å; H138-F147 HydrophobicContact CB-CE1 3.88Å; H138-F147 HydrophobicContact CB-CE2 3.5Å; H138-F147 HydrophobicContact CB-CG 3.81Å; H138-F147 HydrophobicContact CB-CZ 3.65Å; H138-F147 AromaticContact CD2-CE1 3.96Å; V143-F147 WeakPolarHBondContact O-CB 3.33Å; V143-F147 PolarHBondContact O-N 2.85Å; E145-F147 VanDerWaalsContact C-N 3.32Å; E145-F147 PolarHBondContact O-N 2.87Å; F147-Q149 PolarHBondContact O-N 3.5Å; F147-V150 PolarHBondContact O-N 2.98Å; F147-L151 HydrophobicContact CD1-CD1 3.72Å; F147-L151 HydrophobicContact CD1-CD2 4.26Å; F147-L151 HydrophobicContact CD2-CD1 4.11Å; F147-L151 HydrophobicContact CE1-CD1 3.45Å; F147-L151 VanDerWaalsContact CE1-CD1 3.45Å; F147-L151 HydrophobicContact CE1-CD2 3.56Å; F147-L151 HydrophobicContact CE1-CG 4.16Å; F147-L151 HydrophobicContact CE2-CD1 3.89Å; F147-L151 HydrophobicContact CG-CD1 4.04Å; F147-L151 HydrophobicContact CZ-CD1 3.55Å; F147-L151 HydrophobicContact CZ-CD2 4.08Å; F147-L151 HydrophobicContact CZ-CG 4.47Å; F147-L151 WeakPolarHBondContact O-CD1 3.47Å; F147-L151 PolarHBondContact O-N 3.32Å; F147-T159 VanDerWaalsContact CE1-OG1 3.32Å; F147-T159 WeakPolarHBondContact CE1-OG1 3.37Å; F147-F195 HydrophobicContact CD1-CE1 4.1Å; F147-F195 HydrophobicContact CD1-CZ 4.31Å
148A98.9Very high98.5Very high0 Ų036.7 Ų36.70%018%0.184CC..Hα-helixtrans-61.4-41.7179.500000112.9R144 E145 L151 S152 V194 F195 Y198R144-A148 WeakPolarHBondContact O-CB 3.35Å; R144-A148 PolarHBondContact O-N 3.01Å; E145-A148 PolarHBondContact O-N 3.28Å; A148-L151 PolarHBondContact O-N 2.86Å; A148-S152 WeakPolarHBondContact O-CB 3.48Å; A148-S152 PolarHBondContact O-N 3.36Å; A148-V194 HydrophobicContact CB-CG1 3.77Å; A148-F195 HydrophobicContact CB-CD1 3.75Å; A148-F195 HydrophobicContact CB-CE1 4.07Å; A148-Y198 HydrophobicContact CB-CD2 3.36Å; A148-Y198 HydrophobicContact CB-CE2 4.02Å; A148-Y198 HydrophobicContact CB-CG 3.79Å
149Q98.8Very high98.5Very high65 Ų6536.7 Ų36.730%0.30418%0.184SC..Hα-helixtrans-58.5-47.2174-179.97074.100111.2E145 V146 F147 S152 D153 Y198E145-Q149 WeakPolarHBondContact O-CB 3.45Å; E145-Q149 PolarHBondContact O-N 3.47Å; V146-Q149 PolarHBondContact O-N 3.31Å; F147-Q149 PolarHBondContact O-N 3.5Å; Q149-S152 PolarHBondContact O-N 3.33Å; Q149-D153 PolarHBondContact NE2-OD1 3.39Å; Q149-D153 PolarHBondContact NE2-OD2 2.85Å; Q149-D153 WeakPolarHBondContact O-CB 3.47Å; Q149-D153 PolarHBondContact O-N 3.29Å; Q149-Y198 HydrophobicContact CB-CE1 3.9Å; Q149-Y198 HydrophobicContact CG-CE1 4.35Å; Q149-Y198 PolarHBondContact OE1-OH 3.17Å
150V98.9Very high98.5Very high1 Ų136.7 Ų36.71%0.00618%0.184CC..Hα-helixtrans-60.9-47.6178.4170.10000111.1E110 L113 R114 V117 V146 F147 S152 D153 V154E110-V150 HydrophobicContact CG-CG2 3.87Å; L113-V150 HydrophobicContact CB-CG1 4.42Å; L113-V150 HydrophobicContact CB-CG2 4.36Å; R114-V150 HydrophobicContact CG-CG1 4.08Å; R114-V150 HydrophobicContact CG-CG2 3.9Å; V117-V150 HydrophobicContact CG2-CG1 4.22Å; V146-V150 WeakPolarHBondContact O-CG2 3.39Å; V146-V150 PolarHBondContact O-N 2.95Å; F147-V150 PolarHBondContact O-N 2.98Å; V150-S152 VanDerWaalsContact C-N 3.31Å; V150-S152 PolarHBondContact O-N 3.22Å; V150-D153 PolarHBondContact O-N 2.96Å; V150-V154 WeakPolarHBondContact O-CG2 3.43Å; V150-V154 PolarHBondContact O-N 3.38Å; V150-V154 VanDerWaalsContact O-N 3.09Å
151L98.8Very high98.5Very high1 Ų136.9 Ų36.91%0.00519%0.186CC..Hα-helixtrans-58.4-44.2177.3-89.667.3000111.2M131 F147 A148 R155 I156 I200M131-L151 HydrophobicContact CB-CD1 4.15Å; M131-L151 HydrophobicContact CB-CD2 4.42Å; M131-L151 HydrophobicContact CB-CG 4.35Å; M131-L151 HydrophobicContact CG-CD1 4.21Å; M131-L151 HydrophobicContact SD-CD1 3.58Å; M131-L151 VanDerWaalsContact SD-CD1 3.58Å; F147-L151 HydrophobicContact CD1-CD1 3.72Å; F147-L151 HydrophobicContact CD1-CD2 4.26Å; F147-L151 HydrophobicContact CD2-CD1 4.11Å; F147-L151 HydrophobicContact CE1-CD1 3.45Å; F147-L151 VanDerWaalsContact CE1-CD1 3.45Å; F147-L151 HydrophobicContact CE1-CD2 3.56Å; F147-L151 HydrophobicContact CE1-CG 4.16Å; F147-L151 HydrophobicContact CE2-CD1 3.89Å; F147-L151 HydrophobicContact CG-CD1 4.04Å; F147-L151 HydrophobicContact CZ-CD1 3.55Å; F147-L151 HydrophobicContact CZ-CD2 4.08Å; F147-L151 HydrophobicContact CZ-CG 4.47Å; F147-L151 WeakPolarHBondContact O-CD1 3.47Å; F147-L151 PolarHBondContact O-N 3.32Å; A148-L151 PolarHBondContact O-N 2.86Å; L151-R155 CarbonylContact O-C 3.57Å; L151-R155 WeakPolarHBondContact O-CA 3.41Å; L151-R155 PolarHBondContact O-N 3.48Å; L151-I156 HydrophobicContact CB-CB 4.3Å; L151-I156 HydrophobicContact CD2-CG2 4.37Å; L151-I156 HydrophobicContact CG-CB 3.99Å; L151-I156 HydrophobicContact CG-CG2 4.12Å; L151-I156 PolarHBondContact O-N 3.5Å; L151-I200 HydrophobicContact CB-CD1 3.64Å; L151-I200 HydrophobicContact CB-CG1 4.27Å; L151-I200 HydrophobicContact CD2-CD1 4.45Å; L151-I200 HydrophobicContact CD2-CG2 3.82Å
152S98.7Very high98.5Very high45 Ų4534.4 Ų34.432%0.31517%0.17SC..Hα-helixtrans-63.5-48.6179.6-157.60000111.7A148 Q149 V150 V154 R155 Y198A148-S152 WeakPolarHBondContact O-CB 3.48Å; A148-S152 PolarHBondContact O-N 3.36Å; Q149-S152 PolarHBondContact O-N 3.33Å; V150-S152 VanDerWaalsContact C-N 3.31Å; V150-S152 PolarHBondContact O-N 3.22Å; S152-V154 VanDerWaalsContact C-N 3.35Å; S152-V154 PolarHBondContact O-N 3.04Å; S152-R155 PolarHBondContact O-N 3.35Å; S152-Y198 PolarHBondContact OG-O 2.96Å
153D98.6Very high98.5Very high77 Ų7731.7 Ų31.741%0.41216%0.155SC..Hα-helixtrans-61.4-42-178.2-72-15.7000112.8R114 Q149 V150 R155R114-D153 IonicContact CZ-OD2 3.49Å; R114-D153 IonicContact NH1-OD2 3.43Å; R114-D153 PolarHBondContact NH1-OD2 2.89Å; R114-D153 IonicContact NH2-OD2 2.68Å; R114-D153 PolarHBondContact NH2-OD2 3.01Å; Q149-D153 PolarHBondContact NE2-OD1 3.39Å; Q149-D153 PolarHBondContact NE2-OD2 2.85Å; Q149-D153 WeakPolarHBondContact O-CB 3.47Å; Q149-D153 PolarHBondContact O-N 3.29Å; V150-D153 PolarHBondContact O-N 2.96Å; D153-R155 VanDerWaalsContact C-N 3.35Å
154V98.1Very high98.4Very high37 Ų3731.8 Ų31.822%0.22416%0.155CC..Hα-helixtrans-93.23.4-179-55.50000113.2V117 V150 S152 I156V117-V154 HydrophobicContact CG1-CG2 4.14Å; V150-V154 WeakPolarHBondContact O-CG2 3.43Å; V150-V154 PolarHBondContact O-N 3.38Å; V150-V154 VanDerWaalsContact O-N 3.09Å; S152-V154 VanDerWaalsContact C-N 3.35Å; S152-V154 PolarHBondContact O-N 3.04Å; V154-I156 HydrophobicContact CG2-CD1 3.47Å; V154-I156 VanDerWaalsContact CG2-CD1 3.47Å; V154-I156 HydrophobicContact CG2-CG1 3.67Å
155R97.9Very high98.3Very high217 Ų21732.2 Ų32.282%0.81916%0.16SC*.THydrogen-bonded Turntrans59.542.4176.9-53.3-179.4-177.3174.20.1114.3L151 S152 D153 P157L151-R155 CarbonylContact O-C 3.57Å; L151-R155 WeakPolarHBondContact O-CA 3.41Å; L151-R155 PolarHBondContact O-N 3.48Å; S152-R155 PolarHBondContact O-N 3.35Å; D153-R155 VanDerWaalsContact C-N 3.35Å; R155-P157 WeakPolarHBondContact O-CD 3.19Å
156I98.4Very high98Very high1 Ų129.7 Ų29.71%0.00516%0.155CC..  trans-84.5113.9167.6-62.2166.1000107.5V117 P128 M131 L151 V154V117-I156 HydrophobicContact CG1-CD1 4.36Å; V117-I156 HydrophobicContact CG2-CD1 4.17Å; P128-I156 HydrophobicContact CG-CD1 3.53Å; P128-I156 HydrophobicContact CG-CG1 3.91Å; M131-I156 HydrophobicContact CB-CD1 4.41Å; M131-I156 HydrophobicContact CB-CG2 4.04Å; M131-I156 HydrophobicContact SD-CD1 4.11Å; L151-I156 HydrophobicContact CB-CB 4.3Å; L151-I156 HydrophobicContact CD2-CG2 4.37Å; L151-I156 HydrophobicContact CG-CB 3.99Å; L151-I156 HydrophobicContact CG-CG2 4.12Å; L151-I156 PolarHBondContact O-N 3.5Å; V154-I156 HydrophobicContact CG2-CD1 3.47Å; V154-I156 VanDerWaalsContact CG2-CD1 3.47Å; V154-I156 HydrophobicContact CG2-CG1 3.67Å
157P96.9Very high97.8Very high47 Ų4728.7 Ų28.731%0.30515%0.149SC..  trans-82-22-165.830.2-35.7000114.5H129 R155 R201H129-P157 WeakPolarHBondContact O-CD 3.4Å; H129-P157 WeakPolarHBondContact O-CG 3.44Å; R155-P157 WeakPolarHBondContact O-CD 3.19Å; P157-R201 WeakPolarHBondContact O-CB 3.4Å; P157-R201 PolarHBondContact O-N 3.44Å
158F98.6Very high97.4Very high7 Ų734.7 Ų34.73%0.03118%0.176CC..BIsolated β-bridgetrans-122.6143.7-171.1-76.2-76.6000113.9H130 M131 R201 F307 L310H130-F158 VanDerWaalsContact CA-O 3.28Å; H130-F158 WeakPolarHBondContact CA-O 3.5Å; H130-F158 HydrophobicContact CB-CB 3.82Å; M131-F158 PolarHBondContact N-O 2.91Å; F158-R201 CarbonylContact C-O 3.59Å; F158-R201 VanDerWaalsContact CA-O 3.27Å; F158-R201 WeakPolarHBondContact CA-O 3.29Å; F158-R201 HydrophobicContact CD1-CB 3.62Å; F158-R201 HydrophobicContact CE1-CB 3.49Å; F158-R201 VanDerWaalsContact CE1-CB 3.49Å; F158-R201 HydrophobicContact CG-CB 4.43Å; F158-R201 HydrophobicContact CZ-CB 4.24Å; F158-F307 HydrophobicContact CB-CD1 3.74Å; F158-F307 HydrophobicContact CB-CE1 4.22Å; F158-F307 HydrophobicContact CB-CG 4.4Å; F158-F307 HydrophobicContact CD1-CD1 4.07Å; F158-F307 HydrophobicContact CD2-CB 4.27Å; F158-F307 HydrophobicContact CD2-CD1 4.27Å; F158-F307 VanDerWaalsContact CE2-O 3.23Å; F158-F307 WeakPolarHBondContact CE2-O 3.41Å; F158-F307 AromaticContact CG-CD1 3.8Å; F158-F307 HydrophobicContact CG-CD1 3.8Å; F158-L310 HydrophobicContact CE1-CB 4.11Å; F158-L310 HydrophobicContact CE2-CB 4.04Å; F158-L310 WeakPolarHBondContact CE2-O 3.34Å; F158-L310 HydrophobicContact CZ-CB 3.47Å; F158-L310 VanDerWaalsContact CZ-CB 3.47Å; F158-L310 WeakPolarHBondContact CZ-O 3.36Å
159T98.8Very high97.1Very high0 Ų040.7 Ų40.70%021%0.209CC..  trans-137.1177.2164.8-162.10000111.7M131 H138 F147 F195 I200 R201 W202M131-T159 VanDerWaalsContact O-CA 3.29Å; M131-T159 WeakPolarHBondContact O-CA 3.5Å; M131-T159 VanDerWaalsContact O-CB 3.28Å; M131-T159 WeakPolarHBondContact O-CB 3.43Å; M131-T159 PolarHBondContact O-OG1 3.35Å; H138-T159 PolarHBondContact CD2-OG1 2.91Å; F147-T159 VanDerWaalsContact CE1-OG1 3.32Å; F147-T159 WeakPolarHBondContact CE1-OG1 3.37Å; T159-F195 HydrophobicContact CG2-CD2 3.69Å; T159-F195 HydrophobicContact CG2-CE2 3.64Å; T159-F195 HydrophobicContact CG2-CG 4.25Å; T159-F195 HydrophobicContact CG2-CZ 4.18Å; T159-I200 HydrophobicContact CG2-CG2 3.65Å; T159-R201 PolarHBondContact N-O 3.14Å; T159-W202 WeakPolarHBondContact O-CA 3.41Å; T159-W202 WeakPolarHBondContact O-CB 3.16Å
160R98.6Very high96.7Very high1 Ų138 Ų380%0.00420%0.197CC..  trans-97.7135.9175.6173.8-179.6-69163.9-8.3110.1D13 D132 H138 Y206 E252D13-R160 IonicContact OD1-CZ 3.38Å; D13-R160 IonicContact OD1-NH1 2.91Å; D13-R160 PolarHBondContact OD1-NH1 2.79Å; D13-R160 IonicContact OD1-NH2 3.03Å; D13-R160 PolarHBondContact OD1-NH2 2.82Å; D13-R160 IonicContact OD2-CZ 2.96Å; D13-R160 IonicContact OD2-NH1 3.74Å; D13-R160 PolarHBondContact OD2-NH1 2.71Å; D13-R160 IonicContact OD2-NH2 3.18Å; D13-R160 PolarHBondContact OD2-NH2 3.47Å; D132-R160 HydrophobicContact CB-CB 3.85Å; D132-R160 IonicContact OD2-CZ 3.92Å; D132-R160 IonicContact OD2-NE 3.51Å; D132-R160 IonicContact OD2-NH1 3.38Å; D132-R160 PolarHBondContact OD2-NH1 3.06Å; D132-R160 IonicContact OD2-NH2 2.79Å; D132-R160 PolarHBondContact OD2-NH2 3.38Å; D132-R160 VanDerWaalsContact OD2-NH2 3.12Å; H138-R160 PolarHBondContact NE2-O 3.2Å; R160-Y206 VanDerWaalsContact CD-CE2 3.43Å; R160-Y206 HydrophobicContact CG-CD2 3.78Å; R160-Y206 HydrophobicContact CG-CE2 3.74Å; R160-E252 WeakPolarHBondContact CB-OE2 3.46Å; R160-E252 VanDerWaalsContact CG-OE2 3.25Å; R160-E252 WeakPolarHBondContact CG-OE2 3.35Å; R160-E252 IonicContact CZ-OE1 3.65Å; R160-E252 IonicContact CZ-OE2 2.75Å; R160-E252 VanDerWaalsContact NE-CD 3.28Å; R160-E252 IonicContact NE-OE1 3.47Å; R160-E252 PolarHBondContact NE-OE1 2.87Å; R160-E252 IonicContact NE-OE2 2.71Å; R160-E252 PolarHBondContact NE-OE2 2.98Å; R160-E252 IonicContact NH2-OE1 3.69Å; R160-E252 PolarHBondContact NH2-OE1 3.1Å
161V98.6Very high96.4Very high8 Ų843.7 Ų43.75%0.04823%0.234CC..  trans-119.5100.1169.1178.20000107.7I163 A188 I192 F195 W202 Y206V161-I163 VanDerWaalsContact C-N 3.25Å; V161-I163 HydrophobicContact CG1-CD1 3.52Å; V161-I163 HydrophobicContact CG1-CG1 3.91Å; V161-I163 PolarHBondContact O-N 3.33Å; V161-A188 HydrophobicContact CG1-CB 4.08Å; V161-I192 HydrophobicContact CG1-CD1 4.44Å; V161-I192 HydrophobicContact CG1-CG1 4.09Å; V161-F195 HydrophobicContact CG2-CD2 3.77Å; V161-F195 HydrophobicContact CG2-CE2 3.97Å; V161-W202 HydrophobicContact CB-CG 4.08Å; V161-W202 HydrophobicContact CG2-CB 3.98Å; V161-W202 HydrophobicContact CG2-CD2 3.59Å; V161-W202 HydrophobicContact CG2-CE3 4.12Å; V161-W202 HydrophobicContact CG2-CG 3.5Å; V161-Y206 VanDerWaalsContact O-CB 3.23Å; V161-Y206 WeakPolarHBondContact O-CB 3.23Å
162P98Very high96.1Very high0 Ų047 Ų470%025%0.247CC..  trans-78.468.2-16931.2-34.9000113.3H136 V139 V184 A188 Y206H136-P162 HydrophobicContact CB-CG 4.47Å; V139-P162 HydrophobicContact CG1-CG 4.48Å; V139-P162 HydrophobicContact CG2-CG 4.32Å; P162-V184 HydrophobicContact CB-CG1 3.89Å; P162-V184 HydrophobicContact CG-CG1 3.53Å; P162-A188 HydrophobicContact CG-CB 3.8Å; P162-Y206 HydrophobicContact CB-CD1 3.97Å; P162-Y206 HydrophobicContact CB-CE1 3.54Å; P162-Y206 HydrophobicContact CB-CE2 4.24Å; P162-Y206 HydrophobicContact CB-CG 4.41Å
163I97.8Very high95.8Very high41 Ų4145.3 Ų45.321%0.2123%0.234CC..  trans-111.7112.1173.8-60.2166.1000107.4V161 E185 A188 L189 I192V161-I163 VanDerWaalsContact C-N 3.25Å; V161-I163 HydrophobicContact CG1-CD1 3.52Å; V161-I163 HydrophobicContact CG1-CG1 3.91Å; V161-I163 PolarHBondContact O-N 3.33Å; I163-E185 HydrophobicContact CB-CG 4.4Å; I163-E185 HydrophobicContact CG1-CG 4.26Å; I163-E185 HydrophobicContact CG2-CG 4.15Å; I163-E185 WeakPolarHBondContact CG2-OE1 3.5Å; I163-A188 HydrophobicContact CD1-CB 4.36Å; I163-A188 HydrophobicContact CG1-CB 3.77Å; I163-L189 HydrophobicContact CD1-CB 4.44Å; I163-L189 HydrophobicContact CD1-CD2 3.54Å; I163-L189 HydrophobicContact CD1-CG 3.7Å; I163-L189 HydrophobicContact CG1-CD2 4.38Å; I163-L189 HydrophobicContact CG1-CG 4.13Å; I163-I192 HydrophobicContact CD1-CD1 3.72Å; I163-I192 HydrophobicContact CD1-CG1 4.49Å
164E97.1Very high95.5Very high2 Ų243.8 Ų43.81%0.00923%0.228CC..  trans-107.7112.9-172.7-179170.3168.900111.9G166 L167 E185 Y206 L207 G208 L209 S210E164-G166 PolarHBondContact O-N 3.31Å; E164-G166 VanDerWaalsContact O-N 3.15Å; E164-L167 HydrophobicContact CB-CB 4.14Å; E164-L167 HydrophobicContact CB-CD2 4.4Å; E164-L167 HydrophobicContact CG-CB 4.46Å; E164-L167 VanDerWaalsContact O-CB 3.24Å; E164-L167 WeakPolarHBondContact O-CB 3.38Å; E164-L167 PolarHBondContact O-N 2.91Å; E164-L167 VanDerWaalsContact O-N 3.11Å; E164-E185 PolarHBondContact N-OE1 3.03Å; E164-Y206 WeakPolarHBondContact CA-O 3.44Å; E164-Y206 HydrophobicContact CB-CD1 4.26Å; E164-L207 HydrophobicContact CG-CD2 4.25Å; E164-G208 PolarHBondContact OE2-N 3.28Å; E164-G208 VanDerWaalsContact OE2-N 3.1Å; E164-L209 WeakPolarHBondContact OE2-CA 3.35Å; E164-L209 VanDerWaalsContact OE2-CB 3.3Å; E164-L209 WeakPolarHBondContact OE2-CB 3.15Å; E164-L209 PolarHBondContact OE2-N 3.41Å; E164-S210 VanDerWaalsContact OE1-CB 3.24Å; E164-S210 WeakPolarHBondContact OE1-CB 3.44Å; E164-S210 PolarHBondContact OE1-OG 3.01Å; E164-S210 PolarHBondContact OE2-N 3.16Å
165P95.6Very high95.3Very high29 Ų2945.8 Ų45.819%0.18825%0.249CC..THydrogen-bonded Turntrans-57121.3176.9-26.435.6000112.7V205 Q227 T231P165-V205 HydrophobicContact CG-CG1 3.79Å; P165-Q227 HydrophobicContact CB-CB 4.06Å; P165-Q227 WeakPolarHBondContact O-CB 3.41Å; P165-T231 HydrophobicContact CB-CG2 3.7Å; P165-T231 HydrophobicContact CG-CG2 3.43Å; P165-T231 VanDerWaalsContact CG-CG2 3.43Å
166G93.2Very high94.9Very high23 Ų2341.8 Ų41.824%0.23724%0.239CC..THydrogen-bonded Turntrans89.73.1177.600000115E164 H168 N169 C170E164-G166 PolarHBondContact O-N 3.31Å; E164-G166 VanDerWaalsContact O-N 3.15Å; G166-H168 PolarHBondContact O-N 3.48Å; G166-N169 PolarHBondContact O-N 3.22Å; G166-C170 PolarHBondContact O-SG 3.18Å; G166-C170 VanDerWaalsContact O-SG 3.35Å
167L93.8Very high94.6Very high0 Ų043.9 Ų43.90%025%0.25CS..G310 helixtrans-56-33.1178.5-175.763000113.7E164 N169 H178 Y181 M182 L209E164-L167 HydrophobicContact CB-CB 4.14Å; E164-L167 HydrophobicContact CB-CD2 4.4Å; E164-L167 HydrophobicContact CG-CB 4.46Å; E164-L167 VanDerWaalsContact O-CB 3.24Å; E164-L167 WeakPolarHBondContact O-CB 3.38Å; E164-L167 PolarHBondContact O-N 2.91Å; E164-L167 VanDerWaalsContact O-N 3.11Å; L167-N169 PolarHBondContact O-N 3.17Å; L167-H178 PolarHBondContact O-NE2 3.49Å; L167-H178 VanDerWaalsContact O-NE2 3.08Å; L167-Y181 HydrophobicContact CD1-CD2 4.29Å; L167-M182 HydrophobicContact CB-CE 4.05Å; L167-M182 HydrophobicContact CD2-CE 3.22Å; L167-M182 HydrophobicContact CG-CE 3.34Å; L167-L209 HydrophobicContact CD1-CB 3.99Å; L167-L209 HydrophobicContact CD2-CB 4.49Å; L167-L209 HydrophobicContact CD2-CD1 3.84Å
168H91.7Very high94.5Very high126 Ų12643.8 Ų43.858%0.58325%0.245SC*.G310 helixtrans-62.8-18.2174-58.8-67.3000114G166 M182 E185G166-H168 PolarHBondContact O-N 3.48Å; H168-M182 PolarHBondContact CE1-SD 2.95Å; H168-M182 PolarHBondContact ND1-SD 3.38Å; H168-E185 IonicContact CE1-OE2 3.45Å; H168-E185 IonicContact NE2-OE2 2.68Å
169N92.2Very high94.3Very high126 Ų12647.2 Ų47.267%0.67427%0.267SS*.G310 helixtrans-114.941.6-175.1-64.4-48.4000112.1G166 L167 P171G166-N169 PolarHBondContact O-N 3.22Å; L167-N169 PolarHBondContact O-N 3.17Å; N169-P171 VanDerWaalsContact O-CD 3.26Å; N169-P171 WeakPolarHBondContact O-CD 3.45Å
170C91.4Very high94.1Very high9 Ų948.3 Ų48.36%0.06127%0.272CS..  trans-115.773.9-177.7-64.10000112.3G166 W172 V173 S210G166-C170 PolarHBondContact O-SG 3.18Å; G166-C170 VanDerWaalsContact O-SG 3.35Å; C170-W172 HydrophobicContact CB-CD2 4.31Å; C170-W172 HydrophobicContact CB-CE3 4.47Å; C170-W172 HydrophobicContact CB-CH2 3.75Å; C170-W172 HydrophobicContact CB-CZ2 3.64Å; C170-W172 HydrophobicContact CB-CZ3 4.19Å; C170-W172 PolarHBondContact O-N 3.49Å; C170-W172 WeakPolarHBondContact SG-CH2 3.27Å; C170-W172 WeakPolarHBondContact SG-CZ2 3.39Å; C170-V173 HydrophobicContact CB-CB 4.45Å; C170-V173 HydrophobicContact CB-CG2 3.79Å; C170-V173 PolarHBondContact O-N 2.68Å; C170-S210 VanDerWaalsContact SG-CB 3.56Å
171P91Very high94Very high121 Ų12148.6 Ų48.679%0.78627%0.273SS*.THydrogen-bonded Turntrans-65.2-11.9-175.427.2-37.5000114.9N169N169-P171 VanDerWaalsContact O-CD 3.26Å; N169-P171 WeakPolarHBondContact O-CD 3.45Å
172W93.2Very high93.9Very high71 Ų7150.1 Ų50.127%0.26928%0.28SS..THydrogen-bonded Turntrans-81.3-17174.960.488.2000112.8C170 P174 S210 R223C170-W172 HydrophobicContact CB-CD2 4.31Å; C170-W172 HydrophobicContact CB-CE3 4.47Å; C170-W172 HydrophobicContact CB-CH2 3.75Å; C170-W172 HydrophobicContact CB-CZ2 3.64Å; C170-W172 HydrophobicContact CB-CZ3 4.19Å; C170-W172 PolarHBondContact O-N 3.49Å; C170-W172 WeakPolarHBondContact SG-CH2 3.27Å; C170-W172 WeakPolarHBondContact SG-CZ2 3.39Å; W172-P174 WeakPolarHBondContact O-CD 3.4Å; W172-S210 PolarHBondContact NE1-O 2.76Å; W172-R223 VanDerWaalsContact CH2-CD 3.49Å
173V92.9Very high93.9Very high9 Ų954.7 Ų54.76%0.05530%0.301CS..SBendtrans-76.8123.7176.1179.40000108.4C170 L177 H178 Y181C170-V173 HydrophobicContact CB-CB 4.45Å; C170-V173 HydrophobicContact CB-CG2 3.79Å; C170-V173 PolarHBondContact O-N 2.68Å; V173-L177 HydrophobicContact CG1-CB 3.9Å; V173-H178 HydrophobicContact CG1-CB 4.06Å; V173-Y181 HydrophobicContact CG1-CD2 3.95Å; V173-Y181 HydrophobicContact CG1-CE2 3.82Å
174P92.8Very high93.9Very high44 Ų4452.7 Ų52.729%0.28629%0.291SS..  trans-54.5141176.1-26.634.3000112.1W172 H176 L177 H178W172-P174 WeakPolarHBondContact O-CD 3.4Å; P174-H176 VanDerWaalsContact C-N 3.26Å; P174-H176 PolarHBondContact O-N 3.45Å; P174-H176 VanDerWaalsContact O-N 3.11Å; P174-L177 HydrophobicContact CG-CD1 4.23Å; P174-L177 PolarHBondContact O-N 3.42Å; P174-H178 PolarHBondContact O-N 2.89Å
175A92.4Very high93.9Very high79 Ų7953.4 Ų53.465%0.65330%0.295SS*.Hα-helixtrans-53.8-38.8-17300000114.1H178 T179A175-H178 PolarHBondContact O-N 3.23Å; A175-T179 PolarHBondContact O-N 2.92Å; A175-T179 PolarHBondContact O-OG1 2.71Å; A175-T179 VanDerWaalsContact O-OG1 3.1Å
176H90.4Very high94Very high134 Ų13458.3 Ų58.362%0.6231%0.313SS*.Hα-helixtrans-67.7-38.4178.767-86.3000112.7P174 F180P174-H176 VanDerWaalsContact C-N 3.26Å; P174-H176 PolarHBondContact O-N 3.45Å; P174-H176 VanDerWaalsContact O-N 3.11Å; H176-F180 PolarHBondContact O-N 3.04Å
177L92.2Very high94.3Very high45 Ų4558.2 Ų58.224%0.23631%0.307CS..Hα-helixtrans-70.1-39.6173.1-66.6-177.3000110.7V173 P174 T179 F180 Y181V173-L177 HydrophobicContact CG1-CB 3.9Å; P174-L177 HydrophobicContact CG-CD1 4.23Å; P174-L177 PolarHBondContact O-N 3.42Å; L177-T179 PolarHBondContact O-N 3.38Å; L177-F180 PolarHBondContact O-N 2.72Å; L177-Y181 HydrophobicContact CB-CE2 4.08Å; L177-Y181 WeakPolarHBondContact O-CB 3.38Å; L177-Y181 WeakPolarHBondContact O-CD1 3.36Å; L177-Y181 WeakPolarHBondContact O-CD2 3.14Å; L177-Y181 PolarHBondContact O-N 3.29Å
178H94.3Very high94.5Very high44 Ų4458.2 Ų58.220%0.20431%0.307CS..Hα-helixtrans-58.3-50.3177.1-169.1-91.4000111.1L167 V173 P174 A175 F180 Y181 M182L167-H178 PolarHBondContact O-NE2 3.49Å; L167-H178 VanDerWaalsContact O-NE2 3.08Å; V173-H178 HydrophobicContact CG1-CB 4.06Å; P174-H178 PolarHBondContact O-N 2.89Å; A175-H178 PolarHBondContact O-N 3.23Å; H178-F180 VanDerWaalsContact C-N 3.33Å; H178-F180 PolarHBondContact O-N 3.46Å; H178-Y181 PolarHBondContact O-N 3.26Å; H178-Y181 VanDerWaalsContact O-N 3.11Å; H178-M182 VanDerWaalsContact O-CG 3.26Å; H178-M182 WeakPolarHBondContact O-CG 3.27Å; H178-M182 PolarHBondContact O-N 3.35Å
179T94.8Very high94.8Very high80 Ų8056.4 Ų56.449%0.49130%0.301SS..Hα-helixtrans-54.5-48174.7-58.60000111.9A175 L177 Y181 M182 E183A175-T179 PolarHBondContact O-N 2.92Å; A175-T179 PolarHBondContact O-OG1 2.71Å; A175-T179 VanDerWaalsContact O-OG1 3.1Å; L177-T179 PolarHBondContact O-N 3.38Å; T179-Y181 VanDerWaalsContact C-N 3.34Å; T179-Y181 PolarHBondContact O-N 3.37Å; T179-M182 PolarHBondContact O-N 3.35Å; T179-E183 PolarHBondContact O-N 3.43Å; T179-E183 VanDerWaalsContact O-N 3.1Å
180F94.7Very high95.1Very high22 Ų2254.4 Ų54.410%0.09629%0.29CS..Hα-helixtrans-61.4-41.4177.7175.2-103.8000112.2H176 L177 H178 E183 V184H176-F180 PolarHBondContact O-N 3.04Å; L177-F180 PolarHBondContact O-N 2.72Å; H178-F180 VanDerWaalsContact C-N 3.33Å; H178-F180 PolarHBondContact O-N 3.46Å; F180-E183 WeakPolarHBondContact O-CB 3.28Å; F180-E183 PolarHBondContact O-N 3.03Å; F180-V184 HydrophobicContact CD1-CG2 4.35Å; F180-V184 HydrophobicContact CE1-CG2 3.78Å; F180-V184 HydrophobicContact CE2-CG2 4.14Å; F180-V184 HydrophobicContact CZ-CG2 3.63Å; F180-V184 WeakPolarHBondContact O-CG2 3.31Å; F180-V184 PolarHBondContact O-N 3.16Å
181Y96.8Very high95.5Very high7 Ų754 Ų543%0.02729%0.288CS..Hα-helixtrans-67.9-34.3178.1-61.3-21.2000112.7L167 V173 L177 H178 T179 E183 V184 E185 L209 M212L167-Y181 HydrophobicContact CD1-CD2 4.29Å; V173-Y181 HydrophobicContact CG1-CD2 3.95Å; V173-Y181 HydrophobicContact CG1-CE2 3.82Å; L177-Y181 HydrophobicContact CB-CE2 4.08Å; L177-Y181 WeakPolarHBondContact O-CB 3.38Å; L177-Y181 WeakPolarHBondContact O-CD1 3.36Å; L177-Y181 WeakPolarHBondContact O-CD2 3.14Å; L177-Y181 PolarHBondContact O-N 3.29Å; H178-Y181 PolarHBondContact O-N 3.26Å; H178-Y181 VanDerWaalsContact O-N 3.11Å; T179-Y181 VanDerWaalsContact C-N 3.34Å; T179-Y181 PolarHBondContact O-N 3.37Å; Y181-E183 VanDerWaalsContact C-N 3.33Å; Y181-V184 PolarHBondContact O-N 3.01Å; Y181-E185 WeakPolarHBondContact O-CB 3.42Å; Y181-E185 PolarHBondContact O-N 3.43Å; Y181-L209 HydrophobicContact CD1-CB 4.36Å; Y181-L209 HydrophobicContact CD1-CD2 3.65Å; Y181-L209 HydrophobicContact CD1-CG 4.45Å; Y181-L209 HydrophobicContact CD2-CB 3.87Å; Y181-L209 HydrophobicContact CE1-CD2 3.83Å; Y181-L209 HydrophobicContact CE2-CB 4.09Å; Y181-L209 WeakPolarHBondContact CE2-O 3.28Å; Y181-L209 HydrophobicContact CG-CB 4.01Å; Y181-L209 HydrophobicContact CG-CD2 4.1Å; Y181-L209 HydrophobicContact CG-CG 4.42Å; Y181-M212 WeakPolarHBondContact OH-CE 3.45Å
182M96.6Very high95.8Very high41 Ų4149.9 Ų49.920%0.20226%0.259CS..Hα-helixtrans-64.6-37.7172.5-62.5-66.987.900112.2L167 H168 H178 T179 E185 K186L167-M182 HydrophobicContact CB-CE 4.05Å; L167-M182 HydrophobicContact CD2-CE 3.22Å; L167-M182 HydrophobicContact CG-CE 3.34Å; H168-M182 PolarHBondContact CE1-SD 2.95Å; H168-M182 PolarHBondContact ND1-SD 3.38Å; H178-M182 VanDerWaalsContact O-CG 3.26Å; H178-M182 WeakPolarHBondContact O-CG 3.27Å; H178-M182 PolarHBondContact O-N 3.35Å; T179-M182 PolarHBondContact O-N 3.35Å; M182-E185 WeakPolarHBondContact CE-OE2 3.19Å; M182-K186 WeakPolarHBondContact O-CB 3.27Å; M182-K186 PolarHBondContact O-N 2.91Å
183E96.9Very high96.1Very high95 Ų9550.6 Ų50.644%0.44427%0.272SS..Hα-helixtrans-65.1-44.6173.3-70.1171.4-177.900111.3T179 F180 Y181 E185 K186 D187T179-E183 PolarHBondContact O-N 3.43Å; T179-E183 VanDerWaalsContact O-N 3.1Å; F180-E183 WeakPolarHBondContact O-CB 3.28Å; F180-E183 PolarHBondContact O-N 3.03Å; Y181-E183 VanDerWaalsContact C-N 3.33Å; E183-E185 PolarHBondContact O-N 3.34Å; E183-K186 PolarHBondContact O-N 3.43Å; E183-D187 PolarHBondContact O-N 3.3Å
184V97.7Very high96.4Very high0 Ų051.2 Ų51.20%028%0.276CS..Hα-helixtrans-59.4-45.1175.2169.50000111.6H136 P162 F180 Y181 K186 D187 A188H136-V184 HydrophobicContact CB-CG1 3.98Å; H136-V184 HydrophobicContact CB-CG2 4.43Å; P162-V184 HydrophobicContact CB-CG1 3.89Å; P162-V184 HydrophobicContact CG-CG1 3.53Å; F180-V184 HydrophobicContact CD1-CG2 4.35Å; F180-V184 HydrophobicContact CE1-CG2 3.78Å; F180-V184 HydrophobicContact CE2-CG2 4.14Å; F180-V184 HydrophobicContact CZ-CG2 3.63Å; F180-V184 WeakPolarHBondContact O-CG2 3.31Å; F180-V184 PolarHBondContact O-N 3.16Å; Y181-V184 PolarHBondContact O-N 3.01Å; V184-K186 PolarHBondContact O-N 3.02Å; V184-D187 PolarHBondContact O-N 2.78Å; V184-A188 VanDerWaalsContact O-CB 3.27Å; V184-A188 WeakPolarHBondContact O-CB 3.5Å; V184-A188 PolarHBondContact O-N 2.92Å
185E97.6Very high96.7Very high16 Ų1649.1 Ų49.18%0.07526%0.263CS..Hα-helixtrans-64.8-39.4179.2-177.9168.4-140.700111.7I163 E164 H168 Y181 M182 E183 A188 L189I163-E185 HydrophobicContact CB-CG 4.4Å; I163-E185 HydrophobicContact CG1-CG 4.26Å; I163-E185 HydrophobicContact CG2-CG 4.15Å; I163-E185 WeakPolarHBondContact CG2-OE1 3.5Å; E164-E185 PolarHBondContact N-OE1 3.03Å; H168-E185 IonicContact CE1-OE2 3.45Å; H168-E185 IonicContact NE2-OE2 2.68Å; Y181-E185 WeakPolarHBondContact O-CB 3.42Å; Y181-E185 PolarHBondContact O-N 3.43Å; M182-E185 WeakPolarHBondContact CE-OE2 3.19Å; E183-E185 PolarHBondContact O-N 3.34Å; E185-A188 WeakPolarHBondContact O-CB 3.36Å; E185-A188 PolarHBondContact O-N 3.35Å; E185-L189 HydrophobicContact CG-CD1 4.43Å; E185-L189 WeakPolarHBondContact O-CG 3.32Å; E185-L189 PolarHBondContact O-N 3.47Å
186K98.1Very high96.9Very high133 Ų13352.2 Ų52.258%0.57826%0.261SS*.Hα-helixtrans-61.6-50.7173.2-178-167.9170.8-160.10111.4M182 E183 V184 A188 L189 D190M182-K186 WeakPolarHBondContact O-CB 3.27Å; M182-K186 PolarHBondContact O-N 2.91Å; E183-K186 PolarHBondContact O-N 3.43Å; V184-K186 PolarHBondContact O-N 3.02Å; K186-A188 PolarHBondContact O-N 3.31Å; K186-L189 PolarHBondContact O-N 2.89Å; K186-D190 PolarHBondContact O-N 3.01Å
187D98.5Very high97.3Very high20 Ų2052.6 Ų52.611%0.10726%0.263CS..Hα-helixtrans-58.7-40.5177.9-79.6-26.6000111.3R96 V139 L140 R144 E183 V184 D190 S191R96-D187 IonicContact NH1-OD2 3.84Å; V139-D187 HydrophobicContact CB-CB 4.37Å; V139-D187 HydrophobicContact CG2-CB 3.96Å; L140-D187 WeakPolarHBondContact CD2-OD2 3.48Å; R144-D187 PolarHBondContact NH1-O 3.29Å; R144-D187 IonicContact NH2-OD1 3.69Å; E183-D187 PolarHBondContact O-N 3.3Å; V184-D187 PolarHBondContact O-N 2.78Å; D187-D190 PolarHBondContact O-N 3.33Å; D187-S191 PolarHBondContact O-N 2.84Å
188A98.5Very high97.6Very high0 Ų052.1 Ų52.10%026%0.259CS..Hα-helixtrans-63.5-45.3175.900000113V139 V161 P162 I163 V184 E185 K186 D190 S191 I192V139-A188 HydrophobicContact CG1-CB 4.33Å; V161-A188 HydrophobicContact CG1-CB 4.08Å; P162-A188 HydrophobicContact CG-CB 3.8Å; I163-A188 HydrophobicContact CD1-CB 4.36Å; I163-A188 HydrophobicContact CG1-CB 3.77Å; V184-A188 VanDerWaalsContact O-CB 3.27Å; V184-A188 WeakPolarHBondContact O-CB 3.5Å; V184-A188 PolarHBondContact O-N 2.92Å; E185-A188 WeakPolarHBondContact O-CB 3.36Å; E185-A188 PolarHBondContact O-N 3.35Å; K186-A188 PolarHBondContact O-N 3.31Å; A188-D190 VanDerWaalsContact C-N 3.3Å; A188-D190 PolarHBondContact O-N 3.41Å; A188-S191 WeakPolarHBondContact O-CB 3.32Å; A188-S191 PolarHBondContact O-N 2.96Å; A188-S191 PolarHBondContact O-OG 3.02Å; A188-I192 PolarHBondContact O-N 3.1Å
189L98.3Very high97.8Very high89 Ų8952.8 Ų52.847%0.46628%0.277SS..Hα-helixtrans-57.1-46174.5-78.9164000111.2I163 E185 K186 S191 I192I163-L189 HydrophobicContact CD1-CB 4.44Å; I163-L189 HydrophobicContact CD1-CD2 3.54Å; I163-L189 HydrophobicContact CD1-CG 3.7Å; I163-L189 HydrophobicContact CG1-CD2 4.38Å; I163-L189 HydrophobicContact CG1-CG 4.13Å; E185-L189 HydrophobicContact CG-CD1 4.43Å; E185-L189 WeakPolarHBondContact O-CG 3.32Å; E185-L189 PolarHBondContact O-N 3.47Å; K186-L189 PolarHBondContact O-N 2.89Å; L189-S191 PolarHBondContact O-N 3.5Å; L189-I192 HydrophobicContact CD2-CD1 4.36Å; L189-I192 WeakPolarHBondContact O-CB 2.96Å; L189-I192 PolarHBondContact O-N 3.27Å
190D98.5Very high98Very high83 Ų8349.4 Ų49.444%0.44426%0.256SS..Hα-helixtrans-68.9-16.4179.4-70.1-18.6000111.9R144 K186 D187 A188R144-D190 PolarHBondContact NH1-O 2.65Å; K186-D190 PolarHBondContact O-N 3.01Å; D187-D190 PolarHBondContact O-N 3.33Å; A188-D190 VanDerWaalsContact C-N 3.3Å; A188-D190 PolarHBondContact O-N 3.41Å
191S98.7Very high98.2Very high0 Ų053.7 Ų53.70%027%0.271CS..Hα-helixtrans-83.5-23176.978.80000114R144 D187 A188 L189 V194 F195R144-S191 VanDerWaalsContact NH1-N 3.16Å; D187-S191 PolarHBondContact O-N 2.84Å; A188-S191 WeakPolarHBondContact O-CB 3.32Å; A188-S191 PolarHBondContact O-N 2.96Å; A188-S191 PolarHBondContact O-OG 3.02Å; L189-S191 PolarHBondContact O-N 3.5Å; S191-V194 WeakPolarHBondContact O-CB 3.48Å; S191-V194 PolarHBondContact O-N 2.91Å; S191-V194 VanDerWaalsContact O-N 3.12Å; S191-F195 WeakPolarHBondContact O-CG 3.39Å; S191-F195 PolarHBondContact O-N 3.08Å; S191-F195 VanDerWaalsContact OG-CE2 3.24Å; S191-F195 WeakPolarHBondContact OG-CE2 3.25Å
192I98.7Very high98.2Very high36 Ų3656.2 Ų56.219%0.18528%0.281CS..Hα-helixtrans-51.8-51.3-179.5-69.9174.9000113.6V161 I163 A188 L189 V194 F195 K196 W202V161-I192 HydrophobicContact CG1-CD1 4.44Å; V161-I192 HydrophobicContact CG1-CG1 4.09Å; I163-I192 HydrophobicContact CD1-CD1 3.72Å; I163-I192 HydrophobicContact CD1-CG1 4.49Å; A188-I192 PolarHBondContact O-N 3.1Å; L189-I192 HydrophobicContact CD2-CD1 4.36Å; L189-I192 WeakPolarHBondContact O-CB 2.96Å; L189-I192 PolarHBondContact O-N 3.27Å; I192-V194 VanDerWaalsContact C-N 3.25Å; I192-V194 PolarHBondContact O-N 3.17Å; I192-F195 PolarHBondContact O-N 3.05Å; I192-K196 HydrophobicContact CG2-CD 4.1Å; I192-K196 HydrophobicContact CG2-CG 4.45Å; I192-K196 WeakPolarHBondContact O-CG 3.47Å; I192-K196 PolarHBondContact O-N 3.28Å; I192-W202 HydrophobicContact CB-CH2 4.46Å; I192-W202 HydrophobicContact CB-CZ2 4.36Å; I192-W202 HydrophobicContact CG1-CZ2 4.02Å; I192-W202 HydrophobicContact CG2-CH2 4.03Å; I192-W202 HydrophobicContact CG2-CZ2 3.92Å
193P98.6Very high98.3Very high85 Ų8554.7 Ų54.755%0.55227%0.274SS*.Hα-helixtrans-62.2-35-178.922.9-33.4000112.5H197P193-H197 WeakPolarHBondContact O-CB 3.4Å; P193-H197 PolarHBondContact O-N 3.47Å
194V98.8Very high98.2Very high22 Ų2255.4 Ų55.413%0.13328%0.281CS..Hα-helixtrans-66.7-52.3176.6175.40000110.2R144 E145 A148 S191 I192 K196 H197 Y198R144-V194 HydrophobicContact CG-CG1 4.43Å; R144-V194 HydrophobicContact CG-CG2 4.22Å; E145-V194 VanDerWaalsContact OE2-CG1 3.26Å; E145-V194 WeakPolarHBondContact OE2-CG1 3.27Å; A148-V194 HydrophobicContact CB-CG1 3.77Å; S191-V194 WeakPolarHBondContact O-CB 3.48Å; S191-V194 PolarHBondContact O-N 2.91Å; S191-V194 VanDerWaalsContact O-N 3.12Å; I192-V194 VanDerWaalsContact C-N 3.25Å; I192-V194 PolarHBondContact O-N 3.17Å; V194-K196 VanDerWaalsContact C-N 3.28Å; V194-K196 PolarHBondContact O-N 3.35Å; V194-H197 WeakPolarHBondContact O-CB 3.41Å; V194-H197 PolarHBondContact O-N 3.01Å; V194-Y198 HydrophobicContact CG1-CD2 4.01Å; V194-Y198 HydrophobicContact CG1-CE2 4.08Å; V194-Y198 WeakPolarHBondContact O-CD2 3.47Å; V194-Y198 PolarHBondContact O-N 2.96Å; V194-Y198 VanDerWaalsContact O-N 3.13Å
195F98.8Very high98.2Very high0 Ų055.7 Ų55.70%028%0.282CS..Hα-helixtrans-61.6-36.9179.6-63.9-16.1000112.2V139 R144 F147 A148 T159 V161 S191 I192 Y198 G199 I200 W202V139-F195 HydrophobicContact CG1-CE2 4.23Å; V139-F195 HydrophobicContact CG1-CZ 4.29Å; R144-F195 HydrophobicContact CB-CE1 4.41Å; F147-F195 HydrophobicContact CD1-CE1 4.1Å; F147-F195 HydrophobicContact CD1-CZ 4.31Å; A148-F195 HydrophobicContact CB-CD1 3.75Å; A148-F195 HydrophobicContact CB-CE1 4.07Å; T159-F195 HydrophobicContact CG2-CD2 3.69Å; T159-F195 HydrophobicContact CG2-CE2 3.64Å; T159-F195 HydrophobicContact CG2-CG 4.25Å; T159-F195 HydrophobicContact CG2-CZ 4.18Å; V161-F195 HydrophobicContact CG2-CD2 3.77Å; V161-F195 HydrophobicContact CG2-CE2 3.97Å; S191-F195 WeakPolarHBondContact O-CG 3.39Å; S191-F195 PolarHBondContact O-N 3.08Å; S191-F195 VanDerWaalsContact OG-CE2 3.24Å; S191-F195 WeakPolarHBondContact OG-CE2 3.25Å; I192-F195 PolarHBondContact O-N 3.05Å; F195-Y198 PolarHBondContact O-N 3.34Å; F195-G199 PolarHBondContact O-N 2.98Å; F195-I200 HydrophobicContact CB-CB 4.2Å; F195-I200 PolarHBondContact O-N 3.32Å; F195-W202 HydrophobicContact CB-CE3 4.08Å; F195-W202 HydrophobicContact CB-CH2 4.08Å; F195-W202 HydrophobicContact CB-CZ3 3.4Å; F195-W202 VanDerWaalsContact CB-CZ3 3.4Å; F195-W202 HydrophobicContact CD2-CE3 4.49Å; F195-W202 HydrophobicContact CD2-CZ3 4.44Å; F195-W202 HydrophobicContact CG-CZ3 4.44Å
196K98.4Very high98.2Very high144 Ų14455.2 Ų55.263%0.62628%0.28SS*.Hα-helixtrans-62-43.4171-73.8-178.4-179.8172.80112.5I192 V194 Y198 G199 W202I192-K196 HydrophobicContact CG2-CD 4.1Å; I192-K196 HydrophobicContact CG2-CG 4.45Å; I192-K196 WeakPolarHBondContact O-CG 3.47Å; I192-K196 PolarHBondContact O-N 3.28Å; V194-K196 VanDerWaalsContact C-N 3.28Å; V194-K196 PolarHBondContact O-N 3.35Å; K196-Y198 VanDerWaalsContact C-N 3.28Å; K196-Y198 PolarHBondContact O-N 3.26Å; K196-G199 PolarHBondContact O-N 3.37Å; K196-G199 VanDerWaalsContact O-N 3.14Å; K196-W202 HydrophobicContact CG-CH2 3.8Å; K196-W202 HydrophobicContact CG-CZ3 4.46Å
197H98.6Very high98.2Very high143 Ų14348.9 Ų48.966%0.66225%0.253SS*.Hα-helixtrans-58-42.6179.8179.570.5000111.7P193 V194 G199P193-H197 WeakPolarHBondContact O-CB 3.4Å; P193-H197 PolarHBondContact O-N 3.47Å; V194-H197 WeakPolarHBondContact O-CB 3.41Å; V194-H197 PolarHBondContact O-N 3.01Å; H197-G199 VanDerWaalsContact C-N 3.31Å; H197-G199 PolarHBondContact O-N 3.47Å
198Y98.6Very high98.2Very high35 Ų3548 Ų4814%0.13725%0.247CC..THydrogen-bonded Turntrans-84.41.1179.1-73.6-76.2000114.9E145 A148 Q149 S152 V194 F195 K196 I200E145-Y198 WeakPolarHBondContact OE1-CE2 3.08Å; E145-Y198 PolarHBondContact OE1-OH 3.13Å; A148-Y198 HydrophobicContact CB-CD2 3.36Å; A148-Y198 HydrophobicContact CB-CE2 4.02Å; A148-Y198 HydrophobicContact CB-CG 3.79Å; Q149-Y198 HydrophobicContact CB-CE1 3.9Å; Q149-Y198 HydrophobicContact CG-CE1 4.35Å; Q149-Y198 PolarHBondContact OE1-OH 3.17Å; S152-Y198 PolarHBondContact OG-O 2.96Å; V194-Y198 HydrophobicContact CG1-CD2 4.01Å; V194-Y198 HydrophobicContact CG1-CE2 4.08Å; V194-Y198 WeakPolarHBondContact O-CD2 3.47Å; V194-Y198 PolarHBondContact O-N 2.96Å; V194-Y198 VanDerWaalsContact O-N 3.13Å; F195-Y198 PolarHBondContact O-N 3.34Å; K196-Y198 VanDerWaalsContact C-N 3.28Å; K196-Y198 PolarHBondContact O-N 3.26Å; Y198-I200 VanDerWaalsContact C-N 3.31Å; Y198-I200 PolarHBondContact O-N 2.82Å
199G98.1Very high98.1Very high57 Ų5748 Ų4859%0.58825%0.248SC*.THydrogen-bonded Turntrans70.922.7179.800000114.4F195 K196 H197F195-G199 PolarHBondContact O-N 2.98Å; K196-G199 PolarHBondContact O-N 3.37Å; K196-G199 VanDerWaalsContact O-N 3.14Å; H197-G199 VanDerWaalsContact C-N 3.31Å; H197-G199 PolarHBondContact O-N 3.47Å
200I98.6Very high98Very high9 Ų944 Ų445%0.04623%0.227CC..  trans-80.8134.6178.9-49.9-50.8000109.2L151 T159 F195 Y198 W202L151-I200 HydrophobicContact CB-CD1 3.64Å; L151-I200 HydrophobicContact CB-CG1 4.27Å; L151-I200 HydrophobicContact CD2-CD1 4.45Å; L151-I200 HydrophobicContact CD2-CG2 3.82Å; T159-I200 HydrophobicContact CG2-CG2 3.65Å; F195-I200 HydrophobicContact CB-CB 4.2Å; F195-I200 PolarHBondContact O-N 3.32Å; Y198-I200 VanDerWaalsContact C-N 3.31Å; Y198-I200 PolarHBondContact O-N 2.82Å; I200-W202 VanDerWaalsContact O-CE3 3.3Å; I200-W202 WeakPolarHBondContact O-CZ3 3.41Å
201R98.1Very high97.9Very high113 Ų11340 Ų4043%0.42621%0.206SC..BIsolated β-bridgetrans-98159.7178.7-57.6-168.9-68149.4-3.1110.8P157 F158 T159 L310P157-R201 WeakPolarHBondContact O-CB 3.4Å; P157-R201 PolarHBondContact O-N 3.44Å; F158-R201 CarbonylContact C-O 3.59Å; F158-R201 VanDerWaalsContact CA-O 3.27Å; F158-R201 WeakPolarHBondContact CA-O 3.29Å; F158-R201 HydrophobicContact CD1-CB 3.62Å; F158-R201 HydrophobicContact CE1-CB 3.49Å; F158-R201 VanDerWaalsContact CE1-CB 3.49Å; F158-R201 HydrophobicContact CG-CB 4.43Å; F158-R201 HydrophobicContact CZ-CB 4.24Å; T159-R201 PolarHBondContact N-O 3.14Å; R201-L310 PolarHBondContact NH1-O 2.93Å; R201-L310 PolarHBondContact NH1-OXT 2.88Å; R201-L310 PolarHBondContact NH2-O 3.04Å
202W98.3Very high97.8Very high60 Ų6041.6 Ų41.623%0.22721%0.214CC..  trans-153161170.958.395.7000108.8T159 V161 I192 F195 K196 I200T159-W202 WeakPolarHBondContact O-CA 3.41Å; T159-W202 WeakPolarHBondContact O-CB 3.16Å; V161-W202 HydrophobicContact CB-CG 4.08Å; V161-W202 HydrophobicContact CG2-CB 3.98Å; V161-W202 HydrophobicContact CG2-CD2 3.59Å; V161-W202 HydrophobicContact CG2-CE3 4.12Å; V161-W202 HydrophobicContact CG2-CG 3.5Å; I192-W202 HydrophobicContact CB-CH2 4.46Å; I192-W202 HydrophobicContact CB-CZ2 4.36Å; I192-W202 HydrophobicContact CG1-CZ2 4.02Å; I192-W202 HydrophobicContact CG2-CH2 4.03Å; I192-W202 HydrophobicContact CG2-CZ2 3.92Å; F195-W202 HydrophobicContact CB-CE3 4.08Å; F195-W202 HydrophobicContact CB-CH2 4.08Å; F195-W202 HydrophobicContact CB-CZ3 3.4Å; F195-W202 VanDerWaalsContact CB-CZ3 3.4Å; F195-W202 HydrophobicContact CD2-CE3 4.49Å; F195-W202 HydrophobicContact CD2-CZ3 4.44Å; F195-W202 HydrophobicContact CG-CZ3 4.44Å; K196-W202 HydrophobicContact CG-CH2 3.8Å; K196-W202 HydrophobicContact CG-CZ3 4.46Å; I200-W202 VanDerWaalsContact O-CE3 3.3Å; I200-W202 WeakPolarHBondContact O-CZ3 3.41Å
203P97.1Very high97.5Very high8 Ų839.9 Ų39.95%0.05221%0.205CC..  trans-64.4152175.8-25.138.7000112.4V205 T250 E252 F307 L310P203-V205 PolarHBondContact O-N 3.39Å; P203-T250 WeakPolarHBondContact CA-OG1 3.34Å; P203-E252 HydrophobicContact CG-CB 4.08Å; P203-F307 HydrophobicContact CG-CE1 3.83Å; P203-L310 HydrophobicContact CG-CD1 4.06Å
204D95.8Very high97.3Very high111 Ų11141.6 Ų41.659%0.59421%0.206SC*.SBendtrans-59.7-32.4-176.8-57.1-64.2000113.1I249 T250D204-I249 HydrophobicContact CB-CG2 4.11Å; D204-T250 WeakPolarHBondContact CB-O 3.39Å; D204-T250 VanDerWaalsContact CG-OG1 3.3Å; D204-T250 PolarHBondContact N-O 3.11Å; D204-T250 PolarHBondContact N-OG1 3.5Å; D204-T250 PolarHBondContact OD2-N 2.76Å; D204-T250 PolarHBondContact OD2-OG1 3.04Å
205V96.9Very high97.2Very high5 Ų541.9 Ų41.93%0.0321%0.206CC..EExtended strand (participates in β ladder)trans-130.5141.2-179.9-178.60000110.9P165 P203 L207 A228 T231 I249 T250 A251 E252P165-V205 HydrophobicContact CG-CG1 3.79Å; P203-V205 PolarHBondContact O-N 3.39Å; V205-L207 HydrophobicContact CG1-CD2 3.96Å; V205-L207 HydrophobicContact CG1-CG 4.23Å; V205-A228 HydrophobicContact CB-CB 4.33Å; V205-A228 HydrophobicContact CG1-CB 3.75Å; V205-A228 HydrophobicContact CG2-CB 4.33Å; V205-T231 HydrophobicContact CG2-CG2 4.34Å; V205-I249 HydrophobicContact CG2-CG2 4.08Å; V205-T250 PolarHBondContact N-O 2.83Å; V205-T250 VanDerWaalsContact N-O 3.12Å; V205-A251 HydrophobicContact CB-CB 4.16Å; V205-A251 CarbonylContact O-C 3.57Å; V205-A251 WeakPolarHBondContact O-CA 3.42Å; V205-E252 PolarHBondContact O-N 3.25Å
206Y98.4Very high97.1Very high6 Ų642 Ų422%0.02421%0.207CC..EExtended strand (participates in β ladder)trans-113141.3167.9168-91.3000110.8H136 R160 V161 P162 E164 L209 E252 M254H136-Y206 PolarHBondContact CE1-OH 2.82Å; R160-Y206 VanDerWaalsContact CD-CE2 3.43Å; R160-Y206 HydrophobicContact CG-CD2 3.78Å; R160-Y206 HydrophobicContact CG-CE2 3.74Å; V161-Y206 VanDerWaalsContact O-CB 3.23Å; V161-Y206 WeakPolarHBondContact O-CB 3.23Å; P162-Y206 HydrophobicContact CB-CD1 3.97Å; P162-Y206 HydrophobicContact CB-CE1 3.54Å; P162-Y206 HydrophobicContact CB-CE2 4.24Å; P162-Y206 HydrophobicContact CB-CG 4.41Å; E164-Y206 WeakPolarHBondContact CA-O 3.44Å; E164-Y206 HydrophobicContact CB-CD1 4.26Å; Y206-L209 HydrophobicContact CE1-CD1 3.9Å; Y206-L209 HydrophobicContact CE1-CG 3.8Å; Y206-E252 CarbonylContact C-O 3.49Å; Y206-E252 WeakPolarHBondContact CA-O 3.4Å; Y206-E252 HydrophobicContact CD2-CB 4.47Å; Y206-M254 HydrophobicContact CE2-CB 3.74Å; Y206-M254 WeakPolarHBondContact OH-CE 3.12Å
207L98.4Very high97Very high1 Ų136.8 Ų36.81%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-133.6149.2176.4-55.9176.2000108.8E164 V205 A224 L225 A228 E252 L253 M254E164-L207 HydrophobicContact CG-CD2 4.25Å; V205-L207 HydrophobicContact CG1-CD2 3.96Å; V205-L207 HydrophobicContact CG1-CG 4.23Å; L207-A224 HydrophobicContact CD1-CB 4.2Å; L207-A224 HydrophobicContact CD2-CB 4.03Å; L207-L225 HydrophobicContact CD1-CD2 4.25Å; L207-A228 HydrophobicContact CD1-CB 4.36Å; L207-A228 HydrophobicContact CD2-CB 4.37Å; L207-E252 PolarHBondContact N-O 3.34Å; L207-L253 HydrophobicContact CB-CB 4.46Å; L207-L253 HydrophobicContact CB-CD1 3.72Å; L207-L253 WeakPolarHBondContact O-CA 3.44Å; L207-M254 PolarHBondContact O-N 3.01Å
208G97.3Very high97Very high0 Ų032.5 Ų32.50%017%0.172CC..  trans145-21.4167.400000115.4E164 T211 M212E164-G208 PolarHBondContact OE2-N 3.28Å; E164-G208 VanDerWaalsContact OE2-N 3.1Å; G208-T211 WeakPolarHBondContact CA-OG1 3.35Å; G208-M212 WeakPolarHBondContact O-CB 3.48Å; G208-M212 PolarHBondContact O-N 3.43Å; G208-M212 VanDerWaalsContact O-N 3.16Å
209L97.3Very high96.9Very high1 Ų134.4 Ų34.41%0.00519%0.191CC..THydrogen-bonded Turntrans-69.1-45.2178.1-62.6165.8000110.5E164 L167 Y181 Y206 T211 M254E164-L209 WeakPolarHBondContact OE2-CA 3.35Å; E164-L209 VanDerWaalsContact OE2-CB 3.3Å; E164-L209 WeakPolarHBondContact OE2-CB 3.15Å; E164-L209 PolarHBondContact OE2-N 3.41Å; L167-L209 HydrophobicContact CD1-CB 3.99Å; L167-L209 HydrophobicContact CD2-CB 4.49Å; L167-L209 HydrophobicContact CD2-CD1 3.84Å; Y181-L209 HydrophobicContact CD1-CB 4.36Å; Y181-L209 HydrophobicContact CD1-CD2 3.65Å; Y181-L209 HydrophobicContact CD1-CG 4.45Å; Y181-L209 HydrophobicContact CD2-CB 3.87Å; Y181-L209 HydrophobicContact CE1-CD2 3.83Å; Y181-L209 HydrophobicContact CE2-CB 4.09Å; Y181-L209 WeakPolarHBondContact CE2-O 3.28Å; Y181-L209 HydrophobicContact CG-CB 4.01Å; Y181-L209 HydrophobicContact CG-CD2 4.1Å; Y181-L209 HydrophobicContact CG-CG 4.42Å; Y206-L209 HydrophobicContact CE1-CD1 3.9Å; Y206-L209 HydrophobicContact CE1-CG 3.8Å; L209-T211 VanDerWaalsContact C-N 3.28Å; L209-T211 PolarHBondContact O-N 3.46Å; L209-M254 HydrophobicContact CD2-CE 4.24Å
210S96.7Very high96.8Very high5 Ų531.9 Ų31.94%0.03516%0.164CC..THydrogen-bonded Turntrans-77.3-13.8-178.581.30000114.1E164 C170 W172E164-S210 VanDerWaalsContact OE1-CB 3.24Å; E164-S210 WeakPolarHBondContact OE1-CB 3.44Å; E164-S210 PolarHBondContact OE1-OG 3.01Å; E164-S210 PolarHBondContact OE2-N 3.16Å; C170-S210 VanDerWaalsContact SG-CB 3.56Å; W172-S210 PolarHBondContact NE1-O 2.76Å
211T96.9Very high96.7Very high0 Ų031.6 Ų31.60%016%0.163CC..THydrogen-bonded Turntrans-110-0-176.559.70000113.6G208 L209 N215 M216 L221 A224G208-T211 WeakPolarHBondContact CA-OG1 3.35Å; L209-T211 VanDerWaalsContact C-N 3.28Å; L209-T211 PolarHBondContact O-N 3.46Å; T211-N215 CarbonylContact O-C 3.56Å; T211-M216 VanDerWaalsContact O-CA 3.25Å; T211-M216 WeakPolarHBondContact O-CA 3.29Å; T211-M216 VanDerWaalsContact O-CB 3.27Å; T211-M216 WeakPolarHBondContact O-CB 3.45Å; T211-M216 PolarHBondContact O-N 3.47Å; T211-L221 HydrophobicContact CG2-CD2 4.27Å; T211-A224 HydrophobicContact CG2-CB 4.36Å
212M94.8Very high96.6Very high33 Ų3328.9 Ų28.916%0.16316%0.155CC..SBendtrans-62.6141.5-175.6-164.2179.981.900112.8Y181 G208 N215 H256 F275Y181-M212 WeakPolarHBondContact OH-CE 3.45Å; G208-M212 WeakPolarHBondContact O-CB 3.48Å; G208-M212 PolarHBondContact O-N 3.43Å; G208-M212 VanDerWaalsContact O-N 3.16Å; M212-N215 WeakPolarHBondContact O-CB 3.35Å; M212-N215 PolarHBondContact O-N 3.45Å; M212-N215 PolarHBondContact O-ND2 2.95Å; M212-H256 VanDerWaalsContact SD-CE1 3.58Å; M212-F275 HydrophobicContact CE-CE2 4.36Å; M212-F275 HydrophobicContact CE-CZ 4.43Å; M212-F275 HydrophobicContact CG-CZ 4.23Å; M212-F275 HydrophobicContact SD-CZ 4.41Å
213G93.7Very high96.5Very high0 Ų031.5 Ų31.50%017%0.165CC..G310 helixtrans61.2-132173.900000112.5N215 M216 E280 H283 E284G213-N215 PolarHBondContact O-N 3.44Å; G213-M216 WeakPolarHBondContact O-CB 3.37Å; G213-M216 PolarHBondContact O-N 3.24Å; G213-E280 WeakPolarHBondContact CA-OE2 3.25Å; G213-H283 PolarHBondContact O-CD2 3.33Å; G213-H283 VanDerWaalsContact O-CD2 3.29Å; G213-E284 WeakPolarHBondContact CA-OE1 3.44Å; G213-E284 PolarHBondContact N-OE1 2.76Å
214Q93.9Very high96.5Very high121 Ų12131.4 Ų31.457%0.56516%0.164SC*.G310 helixtrans-57.7-16.9178.561.8-178.2000114.3M216 E280Q214-M216 PolarHBondContact O-N 3.09Å; Q214-E280 HydrophobicContact CB-CG 4.03Å; Q214-E280 VanDerWaalsContact CD-OE1 3.31Å; Q214-E280 HydrophobicContact CG-CG 4.42Å; Q214-E280 WeakPolarHBondContact CG-OE1 3.18Å
215N95.9Very high96.5Very high28 Ų2826.2 Ų26.215%0.1514%0.137CC..G310 helixtrans-78.3-8.1178.2-58.2-57.8000113.1T211 M212 G213 S217 S220T211-N215 CarbonylContact O-C 3.56Å; M212-N215 WeakPolarHBondContact O-CB 3.35Å; M212-N215 PolarHBondContact O-N 3.45Å; M212-N215 PolarHBondContact O-ND2 2.95Å; G213-N215 PolarHBondContact O-N 3.44Å; N215-S217 PolarHBondContact O-N 3.43Å; N215-S220 WeakPolarHBondContact O-CB 3.31Å; N215-S220 PolarHBondContact O-OG 2.96Å
216M97.6Very high96.4Very high1 Ų131.2 Ų31.21%0.00516%0.158CC..  trans-72118.9176.6-167.4174.7-72.900110.1T211 G213 Q214 L221 V255 H283 E284 M287 L288T211-M216 VanDerWaalsContact O-CA 3.25Å; T211-M216 WeakPolarHBondContact O-CA 3.29Å; T211-M216 VanDerWaalsContact O-CB 3.27Å; T211-M216 WeakPolarHBondContact O-CB 3.45Å; T211-M216 PolarHBondContact O-N 3.47Å; G213-M216 WeakPolarHBondContact O-CB 3.37Å; G213-M216 PolarHBondContact O-N 3.24Å; Q214-M216 PolarHBondContact O-N 3.09Å; M216-L221 HydrophobicContact CG-CD1 4.1Å; M216-L221 HydrophobicContact CG-CG 4.35Å; M216-V255 HydrophobicContact CE-CB 4.16Å; M216-V255 HydrophobicContact CE-CG1 3.55Å; M216-H283 PolarHBondContact O-NE2 3.41Å; M216-E284 HydrophobicContact CB-CG 4.18Å; M216-E284 HydrophobicContact CE-CB 4.08Å; M216-E284 HydrophobicContact CE-CG 3.68Å; M216-E284 WeakPolarHBondContact CE-OE2 3.39Å; M216-E284 HydrophobicContact SD-CB 4.06Å; M216-E284 HydrophobicContact SD-CG 4.02Å; M216-M287 HydrophobicContact CB-CG 4.46Å; M216-M287 HydrophobicContact CG-CB 3.97Å; M216-M287 HydrophobicContact CG-CG 4.26Å; M216-M287 HydrophobicContact SD-CB 3.76Å; M216-L288 HydrophobicContact CE-CD1 4.33Å; M216-L288 HydrophobicContact CE-CD2 4.43Å; M216-L288 HydrophobicContact CE-CG 4.36Å; M216-L288 HydrophobicContact SD-CD1 4.27Å; M216-L288 HydrophobicContact SD-CD2 4.07Å; M216-L288 HydrophobicContact SD-CG 3.77Å
217S97Very high96.1Very high36 Ų3635.2 Ų35.225%0.25218%0.177SC..  trans-151.8163.1175.672.40000109.1N215 S219 S220 L221N215-S217 PolarHBondContact O-N 3.43Å; S217-S219 PolarHBondContact O-N 3.28Å; S217-S219 PolarHBondContact OG-N 2.98Å; S217-S219 PolarHBondContact OG-OG 3.45Å; S217-S220 PolarHBondContact N-OG 3.25Å; S217-S220 PolarHBondContact O-N 2.71Å; S217-S220 PolarHBondContact O-OG 3.07Å; S217-S220 VanDerWaalsContact O-OG 3.12Å; S217-S220 PolarHBondContact OG-N 2.98Å; S217-S220 PolarHBondContact OG-OG 3.43Å; S217-L221 WeakPolarHBondContact O-CB 3.11Å; S217-L221 WeakPolarHBondContact O-CG 3.27Å; S217-L221 PolarHBondContact O-N 3.04Å
218V97.2Very high95.9Very high52 Ų5235.1 Ų35.132%0.31518%0.177SC..Hα-helixtrans-54.9-39.2173.4-178.50000110.9Q222 M287 V293 L296V218-Q222 WeakPolarHBondContact O-CB 3.42Å; V218-Q222 PolarHBondContact O-N 3.3Å; V218-M287 HydrophobicContact CG2-CE 3.98Å; V218-V293 HydrophobicContact CG2-CG2 4.38Å; V218-L296 HydrophobicContact CG1-CD2 4.21Å
219S96.1Very high95.6Very high75 Ų7536.1 Ų36.152%0.52418%0.182SC..Hα-helixtrans-72.6-39.2-177.269.90000113.6S217 R223S217-S219 PolarHBondContact O-N 3.28Å; S217-S219 PolarHBondContact OG-N 2.98Å; S217-S219 PolarHBondContact OG-OG 3.45Å; S219-R223 WeakPolarHBondContact O-CB 3.43Å; S219-R223 PolarHBondContact O-N 2.88Å
220S96.3Very high95Very high5 Ų537.4 Ų37.44%0.03520%0.195CC..Hα-helixtrans-70.9-41.9176.155.10000111.2N215 S217 R223 A224N215-S220 WeakPolarHBondContact O-CB 3.31Å; N215-S220 PolarHBondContact O-OG 2.96Å; S217-S220 PolarHBondContact N-OG 3.25Å; S217-S220 PolarHBondContact O-N 2.71Å; S217-S220 PolarHBondContact O-OG 3.07Å; S217-S220 VanDerWaalsContact O-OG 3.12Å; S217-S220 PolarHBondContact OG-N 2.98Å; S217-S220 PolarHBondContact OG-OG 3.43Å; S220-R223 WeakPolarHBondContact O-CB 3.41Å; S220-R223 PolarHBondContact O-N 2.66Å; S220-A224 WeakPolarHBondContact O-CB 3.44Å; S220-A224 PolarHBondContact O-N 2.86Å
221L97.3Very high94.1Very high2 Ų239.2 Ų39.21%0.0121%0.206CC..Hα-helixtrans-61.7-44.7172.7-71.1171.1000111.8T211 M216 S217 R223 A224 L225 L253 V293 L296T211-L221 HydrophobicContact CG2-CD2 4.27Å; M216-L221 HydrophobicContact CG-CD1 4.1Å; M216-L221 HydrophobicContact CG-CG 4.35Å; S217-L221 WeakPolarHBondContact O-CB 3.11Å; S217-L221 WeakPolarHBondContact O-CG 3.27Å; S217-L221 PolarHBondContact O-N 3.04Å; L221-R223 VanDerWaalsContact C-N 3.3Å; L221-R223 PolarHBondContact O-N 3.22Å; L221-A224 PolarHBondContact O-N 3.09Å; L221-L225 WeakPolarHBondContact O-CB 3.44Å; L221-L225 VanDerWaalsContact O-CG 3.29Å; L221-L225 WeakPolarHBondContact O-CG 3.26Å; L221-L225 PolarHBondContact O-N 3.14Å; L221-L253 HydrophobicContact CD2-CD1 4.34Å; L221-L253 HydrophobicContact CD2-CD2 3.91Å; L221-V293 HydrophobicContact CD1-CG1 4.1Å; L221-V293 HydrophobicContact CD1-CG2 3.77Å; L221-L296 HydrophobicContact CB-CD2 3.76Å
222Q96.8Very high92.4Very high57 Ų5742.4 Ų42.427%0.26622%0.218SC..Hα-helixtrans-61.4-40.6177.1-175.817536.100111.5V218 K226 L296 E300V218-Q222 WeakPolarHBondContact O-CB 3.42Å; V218-Q222 PolarHBondContact O-N 3.3Å; Q222-K226 HydrophobicContact CG-CD 4.18Å; Q222-K226 VanDerWaalsContact NE2-NZ 3.12Å; Q222-K226 WeakPolarHBondContact O-CB 3.49Å; Q222-K226 VanDerWaalsContact O-CG 3.32Å; Q222-K226 WeakPolarHBondContact O-CG 3.42Å; Q222-K226 PolarHBondContact O-N 3.04Å; Q222-L296 HydrophobicContact CB-CD1 3.71Å; Q222-L296 HydrophobicContact CB-CD2 4.08Å; Q222-L296 HydrophobicContact CG-CD1 3.79Å; Q222-E300 PolarHBondContact NE2-OE1 3.33Å
223R95.8Very high90.3Very high115 Ų11546.1 Ų46.143%0.43424%0.243SC..Hα-helixtrans-61.9-48.8175.5-178.2-176.1-69.4131.8-1110.9W172 S219 S220 L221 L225 K226 Q227W172-R223 VanDerWaalsContact CH2-CD 3.49Å; S219-R223 WeakPolarHBondContact O-CB 3.43Å; S219-R223 PolarHBondContact O-N 2.88Å; S220-R223 WeakPolarHBondContact O-CB 3.41Å; S220-R223 PolarHBondContact O-N 2.66Å; L221-R223 VanDerWaalsContact C-N 3.3Å; L221-R223 PolarHBondContact O-N 3.22Å; R223-L225 PolarHBondContact O-N 3.29Å; R223-K226 PolarHBondContact O-N 3.21Å; R223-Q227 WeakPolarHBondContact O-CG 3.37Å; R223-Q227 PolarHBondContact O-N 3.13Å
224A96.2Very high88Confident5 Ų551 Ų514%0.04128%0.277CS..Hα-helixtrans-57.8-47.6178.400000111.8L207 T211 S220 L221 K226 Q227 A228L207-A224 HydrophobicContact CD1-CB 4.2Å; L207-A224 HydrophobicContact CD2-CB 4.03Å; T211-A224 HydrophobicContact CG2-CB 4.36Å; S220-A224 WeakPolarHBondContact O-CB 3.44Å; S220-A224 PolarHBondContact O-N 2.86Å; L221-A224 PolarHBondContact O-N 3.09Å; A224-K226 PolarHBondContact O-N 3.08Å; A224-Q227 PolarHBondContact O-N 3.08Å; A224-A228 PolarHBondContact O-N 3.03Å
225L95.9Very high85.6Confident3 Ų350 Ų502%0.01628%0.284CS..Hα-helixtrans-61.6-41.5176.5-69.3172.8000112.5L6 M8 L207 L221 R223 A228 L229 L296 Y297 E300 V302L6-L225 HydrophobicContact CD2-CD2 3.66Å; M8-L225 HydrophobicContact CE-CD2 4.46Å; M8-L225 HydrophobicContact SD-CD2 3.89Å; L207-L225 HydrophobicContact CD1-CD2 4.25Å; L221-L225 WeakPolarHBondContact O-CB 3.44Å; L221-L225 VanDerWaalsContact O-CG 3.29Å; L221-L225 WeakPolarHBondContact O-CG 3.26Å; L221-L225 PolarHBondContact O-N 3.14Å; R223-L225 PolarHBondContact O-N 3.29Å; L225-A228 WeakPolarHBondContact O-CB 3.44Å; L225-A228 PolarHBondContact O-N 2.86Å; L225-L229 WeakPolarHBondContact O-CB 3.47Å; L225-L229 VanDerWaalsContact O-CG 3.3Å; L225-L229 WeakPolarHBondContact O-CG 3.38Å; L225-L229 PolarHBondContact O-N 3.23Å; L225-L296 HydrophobicContact CD1-CD2 4.11Å; L225-L296 HydrophobicContact CD1-CG 4.06Å; L225-Y297 HydrophobicContact CD1-CD1 4.06Å; L225-Y297 HydrophobicContact CD1-CE1 4.24Å; L225-E300 HydrophobicContact CD1-CB 4.36Å; L225-E300 HydrophobicContact CD1-CG 4.24Å; L225-V302 HydrophobicContact CD1-CG2 4.26Å; L225-V302 HydrophobicContact CD2-CG2 4.01Å
226K94.1Very high82.8Confident110 Ų11053.4 Ų53.448%0.47831%0.305SS..Hα-helixtrans-64.6-39.1176-76.6176.8-179.7172.70112.3Q222 R223 A224 G230 E300Q222-K226 HydrophobicContact CG-CD 4.18Å; Q222-K226 VanDerWaalsContact NE2-NZ 3.12Å; Q222-K226 WeakPolarHBondContact O-CB 3.49Å; Q222-K226 VanDerWaalsContact O-CG 3.32Å; Q222-K226 WeakPolarHBondContact O-CG 3.42Å; Q222-K226 PolarHBondContact O-N 3.04Å; R223-K226 PolarHBondContact O-N 3.21Å; A224-K226 PolarHBondContact O-N 3.08Å; K226-G230 PolarHBondContact O-N 3.44Å; K226-E300 WeakPolarHBondContact CE-OE1 3.42Å
227Q93.9Very high79.9Confident89 Ų8960.7 Ų60.742%0.41634%0.343SS..Hα-helixtrans-64.7-45.9174.2-67.1-65.7-8.900111.1P165 R223 A224 L229 G230 T231P165-Q227 HydrophobicContact CB-CB 4.06Å; P165-Q227 WeakPolarHBondContact O-CB 3.41Å; R223-Q227 WeakPolarHBondContact O-CG 3.37Å; R223-Q227 PolarHBondContact O-N 3.13Å; A224-Q227 PolarHBondContact O-N 3.08Å; Q227-L229 PolarHBondContact O-N 2.91Å; Q227-G230 CarbonylContact O-C 3.6Å; Q227-G230 WeakPolarHBondContact O-CA 3.4Å; Q227-G230 PolarHBondContact O-N 3.37Å; Q227-T231 WeakPolarHBondContact O-CG2 3.31Å; Q227-T231 PolarHBondContact O-N 3.12Å
228A92.8Very high77Confident0 Ų063.4 Ų63.40%036%0.362CS..Hα-helixtrans-54.7-50175.600000111.8V205 L207 A224 L225 G230 T231V205-A228 HydrophobicContact CB-CB 4.33Å; V205-A228 HydrophobicContact CG1-CB 3.75Å; V205-A228 HydrophobicContact CG2-CB 4.33Å; L207-A228 HydrophobicContact CD1-CB 4.36Å; L207-A228 HydrophobicContact CD2-CB 4.37Å; A224-A228 PolarHBondContact O-N 3.03Å; L225-A228 WeakPolarHBondContact O-CB 3.44Å; L225-A228 PolarHBondContact O-N 2.86Å; A228-G230 PolarHBondContact O-N 3Å; A228-T231 PolarHBondContact O-N 3.31Å; A228-T231 PolarHBondContact O-OG1 2.98Å
229L90.8Very high74.4Confident21 Ų2172.7 Ų72.711%0.1139%0.391CS..Hα-helixtrans-65-29176.8-68.4168.7000112.7R5 L6 L225 Q227 I249R5-L229 HydrophobicContact CB-CD2 4.1Å; L6-L229 HydrophobicContact CB-CD2 4.45Å; L225-L229 WeakPolarHBondContact O-CB 3.47Å; L225-L229 VanDerWaalsContact O-CG 3.3Å; L225-L229 WeakPolarHBondContact O-CG 3.38Å; L225-L229 PolarHBondContact O-N 3.23Å; Q227-L229 PolarHBondContact O-N 2.91Å; L229-I249 HydrophobicContact CD2-CD1 3.92Å
230G86.1Confident71.7Confident27 Ų2780.3 Ų80.328%0.27841%0.408SS..Hα-helixtrans-73.9-28177.400000114.4K226 Q227 A228 R232 T233K226-G230 PolarHBondContact O-N 3.44Å; Q227-G230 CarbonylContact O-C 3.6Å; Q227-G230 WeakPolarHBondContact O-CA 3.4Å; Q227-G230 PolarHBondContact O-N 3.37Å; A228-G230 PolarHBondContact O-N 3Å; G230-R232 PolarHBondContact O-N 3.29Å; G230-R232 VanDerWaalsContact O-N 3.07Å; G230-T233 WeakPolarHBondContact O-CB 3.34Å; G230-T233 PolarHBondContact O-N 3.17Å; G230-T233 PolarHBondContact O-OG1 2.87Å
231T76.2Confident69.3Low43 Ų4384.1 Ų84.126%0.26444%0.44SS..THydrogen-bonded Turntrans-55.2-29.7-179.661.30000113.7P165 V205 Q227 A228 T233 S234 S235P165-T231 HydrophobicContact CB-CG2 3.7Å; P165-T231 HydrophobicContact CG-CG2 3.43Å; P165-T231 VanDerWaalsContact CG-CG2 3.43Å; V205-T231 HydrophobicContact CG2-CG2 4.34Å; Q227-T231 WeakPolarHBondContact O-CG2 3.31Å; Q227-T231 PolarHBondContact O-N 3.12Å; A228-T231 PolarHBondContact O-N 3.31Å; A228-T231 PolarHBondContact O-OG1 2.98Å; T231-T233 PolarHBondContact O-N 3.08Å; T231-T233 VanDerWaalsContact O-N 3.16Å; T231-S234 PolarHBondContact O-N 2.72Å; T231-S234 VanDerWaalsContact O-N 3.15Å; T231-S235 PolarHBondContact O-N 3.23Å; T231-S235 PolarHBondContact O-OG 2.9Å
232R61.7Low66.6Low67 Ų6790.2 Ų90.225%0.25348%0.48SS..Hα-helixtrans-54.5-30.2172.2-76.917662.8170.4-4.5114.5G230 S234 T236 I249G230-R232 PolarHBondContact O-N 3.29Å; G230-R232 VanDerWaalsContact O-N 3.07Å; R232-S234 VanDerWaalsContact C-N 3.3Å; R232-T236 PolarHBondContact O-OG1 3.28Å; R232-I249 VanDerWaalsContact CD-CG1 3.42Å; R232-I249 HydrophobicContact CG-CD1 3.59Å; R232-I249 HydrophobicContact CG-CG1 3.79Å
233T51.5Low64.1Low112 Ų11294.2 Ų94.269%0.68750%0.503SS*.Hα-helixtrans-77.5-18.1-176.263.60000112.8G230 T231G230-T233 WeakPolarHBondContact O-CB 3.34Å; G230-T233 PolarHBondContact O-N 3.17Å; G230-T233 PolarHBondContact O-OG1 2.87Å; T231-T233 PolarHBondContact O-N 3.08Å; T231-T233 VanDerWaalsContact O-N 3.16Å
234S46.1Very low61.9Low103 Ų10396.4 Ų96.472%0.7252%0.522SS*.Hα-helixtrans-103.3-34.8-174.4-164.60000113.3T231 R232T231-S234 PolarHBondContact O-N 2.72Å; T231-S234 VanDerWaalsContact O-N 3.15Å; R232-S234 VanDerWaalsContact C-N 3.3Å
235S42.1Very low60Low100 Ų100103.3 Ų103.370%0.69955%0.554SS**Hα-helixtrans-87.4-5.9-177.3580000115T231T231-S235 PolarHBondContact O-N 3.23Å; T231-S235 PolarHBondContact O-OG 2.9Å
236T36.8Very low58.2Low99 Ų99110 Ų11061%0.60758%0.584SS**  trans-128.349.4-176.117.20000114.4R232 S238R232-T236 PolarHBondContact O-OG1 3.28Å; T236-S238 PolarHBondContact O-N 3.19Å
237I37.7Very low57Low154 Ų154109.8 Ų109.879%0.7960%0.595SS**  trans-88.345.8154.9-45.4179.8000109.5
238S36.1Very low56.7Low93 Ų93108.1 Ų108.165%0.6559%0.59SS**SBendtrans-103.6109.2155.6-172.10000106.6T236 R240T236-S238 PolarHBondContact O-N 3.19Å; S238-R240 PolarHBondContact O-N 3.26Å
239R41.9Very low56.7Low247 Ų247108.5 Ų108.593%0.93259%0.592SS**  trans-49.798.2177.2-70.6172.8169.7172.5-3.8110.1
240R40.7Very low56.9Low235 Ų235108.8 Ų108.889%0.88760%0.595SS**  trans-121.4143.5156.5-80-169.8175.7-164.90.3109.2S238S238-R240 PolarHBondContact O-N 3.26Å
241A44.7Very low57.5Low84 Ų84107.5 Ų107.569%0.69458%0.582SS**  trans-50.5155.7-178.900000111.8D243A241-D243 VanDerWaalsContact C-N 3.31Å; A241-D243 PolarHBondContact O-N 3.36Å
242P40.7Very low58.5Low131 Ų131105.5 Ų105.585%0.85157%0.569SS**  trans-67.490.8179.228.4-32.6000109.4
243D44.2Very low60.3Low141 Ų141102.4 Ų102.475%0.75456%0.558SS**  trans-73.7132.4167.9-135.8-15.4000108.4A241 H245A241-D243 VanDerWaalsContact C-N 3.31Å; A241-D243 PolarHBondContact O-N 3.36Å; D243-H245 PolarHBondContact O-N 3.23Å
244L50.4Low62.5Low161 Ų16197.2 Ų97.284%0.84353%0.526SS*.SBendtrans-69.1-0.6-168.7-91.2142.7000114.5
245H55.6Low65Low150 Ų15092.3 Ų92.369%0.69449%0.492SS*.SBendtrans-132.2100.3175.6-65-66.1000109.8D243D243-H245 PolarHBondContact O-N 3.23Å
246Q57.5Low67.7Low142 Ų14288.5 Ų88.566%0.66446%0.462SS*.PPolyproline II helixtrans-66.3133.4173.9-69-177.5-9.900110.1
247P68.9Low70.6Confident107 Ų10783.8 Ų83.870%0.69543%0.434SS*.PPolyproline II helixtrans-63.5139.4178.224.1-31.1000110.8
248V87.5Confident73.4Confident53 Ų5376.4 Ų76.432%0.32140%0.396SS..PPolyproline II helixtrans-74132179.2-175.80000108.7P4 L7P4-V248 HydrophobicContact CG-CG1 4.27Å; L7-V248 HydrophobicContact CB-CG1 4.24Å; L7-V248 HydrophobicContact CD1-CG1 3.98Å; L7-V248 HydrophobicContact CG-CG1 3.71Å
249I92.6Very high76.2Confident9 Ų974.7 Ų74.75%0.04638%0.375CS..EExtended strand (participates in β ladder)trans-73.8138.1175.1-59.8161.7000108.2R5 L6 L7 D204 V205 L229 R232R5-I249 PolarHBondContact O-N 3.43Å; L6-I249 CarbonylContact C-O 3.58Å; L6-I249 WeakPolarHBondContact CA-O 3.38Å; L6-I249 HydrophobicContact CD1-CB 3.62Å; L6-I249 HydrophobicContact CD1-CG2 3.54Å; L7-I249 PolarHBondContact N-O 2.81Å; D204-I249 HydrophobicContact CB-CG2 4.11Å; V205-I249 HydrophobicContact CG2-CG2 4.08Å; L229-I249 HydrophobicContact CD2-CD1 3.92Å; R232-I249 VanDerWaalsContact CD-CG1 3.42Å; R232-I249 HydrophobicContact CG-CD1 3.59Å; R232-I249 HydrophobicContact CG-CG1 3.79Å
250T96.3Very high78.5Confident27 Ų2764 Ų6417%0.16634%0.338CS..EExtended strand (participates in β ladder)trans-97.6138.5167.260.90000110.2L7 P203 D204 V205 L310L7-T250 CarbonylContact O-C 3.56Å; L7-T250 VanDerWaalsContact O-CA 3.3Å; L7-T250 WeakPolarHBondContact O-CA 3.39Å; P203-T250 WeakPolarHBondContact CA-OG1 3.34Å; D204-T250 WeakPolarHBondContact CB-O 3.39Å; D204-T250 VanDerWaalsContact CG-OG1 3.3Å; D204-T250 PolarHBondContact N-O 3.11Å; D204-T250 PolarHBondContact N-OG1 3.5Å; D204-T250 PolarHBondContact OD2-N 2.76Å; D204-T250 PolarHBondContact OD2-OG1 3.04Å; V205-T250 PolarHBondContact N-O 2.83Å; V205-T250 VanDerWaalsContact N-O 3.12Å; T250-L310 HydrophobicContact CG2-CD2 3.81Å
251A97.7Very high80.8Confident0 Ų053 Ų530%030%0.298CS..EExtended strand (participates in β ladder)trans-138.7153.3176.300000112.6L6 L7 M8 V9 V205L6-A251 HydrophobicContact CD1-CB 3.77Å; L6-A251 HydrophobicContact CD2-CB 4.33Å; L6-A251 HydrophobicContact CG-CB 4.27Å; L7-A251 PolarHBondContact O-N 3.02Å; M8-A251 CarbonylContact C-O 3.49Å; M8-A251 WeakPolarHBondContact CA-O 3.41Å; M8-A251 HydrophobicContact CG-CB 4.27Å; V9-A251 PolarHBondContact N-O 2.95Å; V205-A251 HydrophobicContact CB-CB 4.16Å; V205-A251 CarbonylContact O-C 3.57Å; V205-A251 WeakPolarHBondContact O-CA 3.42Å
252E98.6Very high82.8Confident1 Ų153 Ų531%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-109.6134.6161.1-176.8177-156.100109.9V9 T11 R160 P203 V205 Y206 L207 F307V9-E252 CarbonylContact O-C 3.58Å; V9-E252 VanDerWaalsContact O-CA 3.28Å; V9-E252 WeakPolarHBondContact O-CA 3.45Å; T11-E252 WeakPolarHBondContact CB-OE1 3.39Å; T11-E252 PolarHBondContact OG1-OE1 3.33Å; R160-E252 WeakPolarHBondContact CB-OE2 3.46Å; R160-E252 VanDerWaalsContact CG-OE2 3.25Å; R160-E252 WeakPolarHBondContact CG-OE2 3.35Å; R160-E252 IonicContact CZ-OE1 3.65Å; R160-E252 IonicContact CZ-OE2 2.75Å; R160-E252 VanDerWaalsContact NE-CD 3.28Å; R160-E252 IonicContact NE-OE1 3.47Å; R160-E252 PolarHBondContact NE-OE1 2.87Å; R160-E252 IonicContact NE-OE2 2.71Å; R160-E252 PolarHBondContact NE-OE2 2.98Å; R160-E252 IonicContact NH2-OE1 3.69Å; R160-E252 PolarHBondContact NH2-OE1 3.1Å; P203-E252 HydrophobicContact CG-CB 4.08Å; V205-E252 PolarHBondContact O-N 3.25Å; Y206-E252 CarbonylContact C-O 3.49Å; Y206-E252 WeakPolarHBondContact CA-O 3.4Å; Y206-E252 HydrophobicContact CD2-CB 4.47Å; L207-E252 PolarHBondContact N-O 3.34Å; E252-F307 HydrophobicContact CG-CZ 4.39Å
253L98.8Very high84.6Confident2 Ų250.7 Ų50.71%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-111.6111.7164.1174.163.1000108.4M8 V9 V10 T11 L207 L221 V255 Y297M8-L253 HydrophobicContact CE-CD2 4.21Å; M8-L253 HydrophobicContact CG-CB 4.34Å; M8-L253 HydrophobicContact SD-CB 3.99Å; V9-L253 PolarHBondContact O-N 3.11Å; V10-L253 CarbonylContact C-O 3.16Å; V10-L253 WeakPolarHBondContact CA-O 3.44Å; V10-L253 HydrophobicContact CG1-CB 4.48Å; V10-L253 HydrophobicContact CG1-CD2 4.25Å; V10-L253 HydrophobicContact CG1-CG 4.39Å; V10-L253 HydrophobicContact CG2-CB 4.23Å; V10-L253 HydrophobicContact CG2-CD2 4.28Å; T11-L253 PolarHBondContact N-O 3.02Å; L207-L253 HydrophobicContact CB-CB 4.46Å; L207-L253 HydrophobicContact CB-CD1 3.72Å; L207-L253 WeakPolarHBondContact O-CA 3.44Å; L221-L253 HydrophobicContact CD2-CD1 4.34Å; L221-L253 HydrophobicContact CD2-CD2 3.91Å; L253-V255 HydrophobicContact CD1-CG1 4.44Å; L253-V255 HydrophobicContact CD2-CG1 4.25Å; L253-V255 HydrophobicContact CG-CG1 3.9Å; L253-Y297 WeakPolarHBondContact CD2-OH 3.3Å
254M98.6Very high86.2Confident3 Ų351.8 Ų51.82%0.01527%0.274CS..EExtended strand (participates in β ladder)trans-82.2133.1174.5172.6-84.8-69.200110.1D13 Y206 L207 L209 H256D13-M254 VanDerWaalsContact OD2-CG 3.27Å; D13-M254 WeakPolarHBondContact OD2-CG 3.44Å; Y206-M254 HydrophobicContact CE2-CB 3.74Å; Y206-M254 WeakPolarHBondContact OH-CE 3.12Å; L207-M254 PolarHBondContact O-N 3.01Å; L209-M254 HydrophobicContact CD2-CE 4.24Å; M254-H256 PolarHBondContact SD-CE1 3.16Å
255V98.6Very high87.4Confident0 Ų048.5 Ų48.50%025%0.254CS..EExtended strand (participates in β ladder)trans-143.2157.4-177.8-61.80000111.3V10 T11 D13 I34 M216 L253 P257 E284 L288V10-V255 HydrophobicContact CG1-CG1 4.14Å; V10-V255 HydrophobicContact CG1-CG2 3.84Å; T11-V255 VanDerWaalsContact O-CG2 3.28Å; T11-V255 WeakPolarHBondContact O-CG2 3.39Å; T11-V255 PolarHBondContact O-N 2.77Å; D13-V255 PolarHBondContact N-O 3.25Å; I34-V255 HydrophobicContact CG2-CG2 3.7Å; M216-V255 HydrophobicContact CE-CB 4.16Å; M216-V255 HydrophobicContact CE-CG1 3.55Å; L253-V255 HydrophobicContact CD1-CG1 4.44Å; L253-V255 HydrophobicContact CD2-CG1 4.25Å; L253-V255 HydrophobicContact CG-CG1 3.9Å; V255-P257 HydrophobicContact CG2-CG 4.18Å; V255-P257 WeakPolarHBondContact O-CD 3.36Å; V255-E284 WeakPolarHBondContact CA-OE2 3.41Å; V255-E284 WeakPolarHBondContact CB-OE2 3.34Å; V255-L288 HydrophobicContact CB-CD1 3.9Å; V255-L288 HydrophobicContact CG1-CD1 4.05Å; V255-L288 HydrophobicContact CG1-CD2 4.29Å; V255-L288 HydrophobicContact CG2-CD1 3.85Å
256H98.1Very high88.2Confident19 Ų1942.2 Ų42.29%0.08823%0.23CC..  trans-124.151.1179.9-57.396.5000112.5D14 M212 M254 F275 R281 E284D14-H256 IonicContact OD2-CD2 3.75Å; M212-H256 VanDerWaalsContact SD-CE1 3.58Å; M254-H256 PolarHBondContact SD-CE1 3.16Å; H256-F275 HydrophobicContact CB-CE1 3.91Å; H256-F275 HydrophobicContact CB-CZ 3.95Å; H256-F275 AromaticContact CD2-CE1 3.98Å; H256-F275 AromaticContact CG-CE1 3.8Å; H256-R281 VanDerWaalsContact C-NH1 3.28Å; H256-R281 HydrophobicContact CB-CG 4.43Å; H256-R281 WeakPolarHBondContact O-CA 3.48Å; H256-R281 VanDerWaalsContact O-CB 3.31Å; H256-R281 WeakPolarHBondContact O-CB 3.4Å; H256-R281 WeakPolarHBondContact O-CG 3.45Å; H256-R281 PolarHBondContact O-NH1 2.78Å; H256-E284 PolarHBondContact N-OE2 3.12Å; H256-E284 IonicContact ND1-OE1 2.91Å
257P97.7Very high89.2Confident0 Ų035.5 Ų35.50%020%0.199CC..  trans-64.4145.3176.429.2-34.1000110.1I25 C28 I34 V255 R281 L285 L288I25-P257 HydrophobicContact CG1-CG 4.31Å; I25-P257 VanDerWaalsContact CG1-O 3.23Å; I25-P257 WeakPolarHBondContact CG1-O 3.44Å; C28-P257 HydrophobicContact CB-CB 4.06Å; C28-P257 HydrophobicContact CB-CG 4.17Å; I34-P257 HydrophobicContact CG2-CG 4.28Å; V255-P257 HydrophobicContact CG2-CG 4.18Å; V255-P257 WeakPolarHBondContact O-CD 3.36Å; P257-R281 PolarHBondContact O-NH1 3.41Å; P257-R281 VanDerWaalsContact O-NH1 3.09Å; P257-L285 HydrophobicContact CB-CB 4.03Å; P257-L285 HydrophobicContact CB-CD1 4.25Å; P257-L288 HydrophobicContact CB-CD1 4.07Å; P257-L288 HydrophobicContact CG-CD1 4.12Å
258G96Very high89.7Confident0 Ų030.6 Ų30.60%017%0.167CC..  trans165.1158.8174.100000112.5R281 E282G258-R281 PolarHBondContact N-O 3.17Å; G258-R281 VanDerWaalsContact N-O 3.14Å; G258-R281 CarbonylContact O-C 3.55Å; G258-R281 WeakPolarHBondContact O-CB 3.37Å; G258-E282 WeakPolarHBondContact O-CA 3.48Å; G258-E282 PolarHBondContact O-N 2.93Å; G258-E282 VanDerWaalsContact O-N 3.08Å
259Y95.3Very high88.9Confident56 Ų5630.2 Ų30.222%0.2217%0.174CC..PPolyproline II helixtrans-74.7144.7166.4-63.1-63.8000110R20 Q23 D27 S261 L285R20-Y259 WeakPolarHBondContact O-CD2 3.47Å; Q23-Y259 HydrophobicContact CB-CD2 4.48Å; Q23-Y259 HydrophobicContact CG-CE2 4.29Å; D27-Y259 WeakPolarHBondContact OD2-CE2 3.26Å; D27-Y259 PolarHBondContact OD2-OH 3.32Å; Y259-S261 PolarHBondContact O-N 2.93Å; Y259-L285 HydrophobicContact CD1-CD2 4.14Å; Y259-L285 HydrophobicContact CE1-CD2 3.73Å; Y259-L285 HydrophobicContact CE2-CD2 4.28Å
260P91Very high87.9Confident23 Ų2334.3 Ų34.315%0.14919%0.193CC..PPolyproline II helixtrans-56140.2176.3-25.535.5000111.4R20 E282R20-P260 PolarHBondContact NE-O 3.13Å; R20-P260 VanDerWaalsContact NE-O 3.07Å; P260-E282 HydrophobicContact CG-CB 4.5Å
261S88.1Confident86.9Confident5 Ų534.3 Ų34.34%0.03520%0.199CC..PPolyproline II helixtrans-74.8147.1176-42.60000109.3R21 Y259 S276R21-S261 PolarHBondContact NH2-OG 2.88Å; Y259-S261 PolarHBondContact O-N 2.93Å; S261-S276 WeakPolarHBondContact CB-O 3.34Å; S261-S276 PolarHBondContact N-O 2.95Å; S261-S276 PolarHBondContact OG-O 2.96Å
262H85.9Confident86.1Confident84 Ų8435 Ų3539%0.38920%0.203SC..PPolyproline II helixtrans-81.7149.6170.2-70.6-57.2000109.7R20 D264 E265 P272R20-H262 VanDerWaalsContact CD-CD2 3.5Å; R20-H262 WeakPolarHBondContact CD-CD2 3.34Å; R20-H262 PolarHBondContact NH1-NE2 3.19Å; H262-D264 PolarHBondContact O-N 3.08Å; H262-E265 HydrophobicContact CB-CB 4.17Å; H262-E265 HydrophobicContact CB-CG 4.36Å; H262-E265 IonicContact CD2-OE2 3.59Å; H262-E265 CarbonylContact O-C 3.39Å; H262-E265 PolarHBondContact O-N 3.06Å; H262-P272 WeakPolarHBondContact O-CG 3.42Å
263P78.8Confident85.2Confident82 Ų8238 Ų3853%0.53222%0.219SC..THydrogen-bonded Turntrans-52.3-33-178.3-27.934000114.6P272P263-P272 VanDerWaalsContact O-CD 3.3Å; P263-P272 WeakPolarHBondContact O-CD 3.37Å
264D78.3Confident84.5Confident164 Ų16445.1 Ų45.188%0.87726%0.257SS*.THydrogen-bonded Turntrans-94.4-0.6-178.9-55.1-46.6000113.5H262H262-D264 PolarHBondContact O-N 3.08Å
265E75.1Confident83.7Confident91 Ų9147 Ų4743%0.42527%0.265SS..SBendtrans-127.6116.1-175.9-65.2-175.2171.300112H262H262-E265 HydrophobicContact CB-CB 4.17Å; H262-E265 HydrophobicContact CB-CG 4.36Å; H262-E265 IonicContact CD2-OE2 3.59Å; H262-E265 CarbonylContact O-C 3.39Å; H262-E265 PolarHBondContact O-N 3.06Å
266G73.1Confident82.9Confident18 Ų1847.2 Ų47.219%0.18627%0.266CS..  trans122.7-171.2167.400000114.4Y17Y17-G266 WeakPolarHBondContact O-CA 3.46Å
267G78.3Confident82.3Confident1 Ų149.8 Ų49.81%0.0128%0.279CS..SBendtrans87.2179.9-178.200000113.4Y17 S44 E68 G269Y17-G267 VanDerWaalsContact CD1-N 3.29Å; Y17-G267 VanDerWaalsContact CE1-CA 3.45Å; Y17-G267 PolarHBondContact O-N 3.15Å; S44-G267 PolarHBondContact N-O 3.08Å; S44-G267 VanDerWaalsContact N-O 3.13Å; E68-G267 VanDerWaalsContact OE1-CA 3.25Å; E68-G267 WeakPolarHBondContact OE1-CA 3.22Å; G267-G269 VanDerWaalsContact C-N 3.35Å
268C79.1Confident82Confident4 Ų451.1 Ų51.13%0.02729%0.288CS..SBendtrans-95.57.2177.1-56.60000112.7N65 E68 G69 T70N65-C268 PolarHBondContact ND2-SG 3.13Å; N65-C268 VanDerWaalsContact ND2-SG 3.4Å; E68-C268 HydrophobicContact CB-CB 4.14Å; E68-C268 HydrophobicContact CG-CB 4.01Å; E68-C268 WeakPolarHBondContact O-CB 3.24Å; E68-C268 PolarHBondContact OE1-N 2.89Å; G69-C268 CarbonylContact C-O 3.49Å; G69-C268 WeakPolarHBondContact CA-O 3.44Å; T70-C268 PolarHBondContact N-O 3.38Å
269G70.1Confident81.8Confident46 Ų4655.9 Ų55.947%0.47432%0.317SS..SBendtrans139.9-18.9175.600000114.8F88 G267F88-G269 VanDerWaalsContact CE1-C 3.45Å; F88-G269 VanDerWaalsContact CE1-O 3.25Å; F88-G269 WeakPolarHBondContact CE1-O 3.46Å; G267-G269 VanDerWaalsContact C-N 3.35Å
270E72.3Confident81.8Confident94 Ų9455.3 Ų55.344%0.43932%0.317SS..SBendtrans-95.9-4.5-178.6-65.6175.595.100113.3G69 F88G69-E270 PolarHBondContact N-OE2 2.94Å; F88-E270 HydrophobicContact CB-CG 3.86Å; F88-E270 HydrophobicContact CD1-CG 3.47Å; F88-E270 VanDerWaalsContact CD1-CG 3.47Å; F88-E270 HydrophobicContact CD2-CG 4.05Å; F88-E270 HydrophobicContact CE1-CG 3.96Å; F88-E270 HydrophobicContact CE2-CG 4.48Å; F88-E270 HydrophobicContact CG-CG 3.52Å; F88-E270 HydrophobicContact CZ-CG 4.43Å
271G75.8Confident82Confident28 Ų2854.2 Ų54.229%0.28931%0.31SS..  trans88.8172.3-16900000112.5
272P80.7Confident82.4Confident15 Ų1557.2 Ų57.210%0.09732%0.323CS..  trans-75.3137.1-176.531.2-35.7000113.2Y17 H262 P263 Q277Y17-P272 HydrophobicContact CE1-CB 4.04Å; Y17-P272 WeakPolarHBondContact OH-CA 3.33Å; H262-P272 WeakPolarHBondContact O-CG 3.42Å; P263-P272 VanDerWaalsContact O-CD 3.3Å; P263-P272 WeakPolarHBondContact O-CD 3.37Å; P272-Q277 HydrophobicContact CB-CG 3.91Å; P272-Q277 HydrophobicContact CG-CG 3.92Å; P272-Q277 PolarHBondContact O-NE2 2.98Å
273D79.9Confident83Confident64 Ų6456.4 Ų56.434%0.34232%0.319SS..  trans-75.2174.6170.975.9-7.9000113.2F275 S276 Q277D273-F275 VanDerWaalsContact C-N 3.26Å; D273-F275 PolarHBondContact O-N 3.29Å; D273-F275 PolarHBondContact OD1-N 3.17Å; D273-S276 VanDerWaalsContact O-CB 3.32Å; D273-S276 WeakPolarHBondContact O-CB 3.39Å; D273-S276 PolarHBondContact O-N 2.69Å; D273-S276 VanDerWaalsContact O-N 3.12Å; D273-S276 WeakPolarHBondContact OD1-CB 2.99Å; D273-S276 PolarHBondContact OD1-N 3.34Å; D273-S276 PolarHBondContact OD1-OG 3.41Å; D273-Q277 PolarHBondContact O-N 3.02Å
274D83Confident83.9Confident150 Ų15052.6 Ų52.680%0.80229%0.294SS*.THydrogen-bonded Turntrans-57.7-39.5-178.8-71.6-13.7000112.1Q277 S278D274-Q277 PolarHBondContact O-N 3.14Å; D274-S278 WeakPolarHBondContact O-CB 3.41Å; D274-S278 PolarHBondContact O-N 3.2Å; D274-S278 VanDerWaalsContact O-N 3.11Å
275F82.2Confident84.8Confident44 Ų4444.8 Ų44.819%0.19325%0.252CS..THydrogen-bonded Turntrans-69-36.7178.8-175.2-113.8000111.7M212 H256 D273 Q277 S278 E280 R281M212-F275 HydrophobicContact CE-CE2 4.36Å; M212-F275 HydrophobicContact CE-CZ 4.43Å; M212-F275 HydrophobicContact CG-CZ 4.23Å; M212-F275 HydrophobicContact SD-CZ 4.41Å; H256-F275 HydrophobicContact CB-CE1 3.91Å; H256-F275 HydrophobicContact CB-CZ 3.95Å; H256-F275 AromaticContact CD2-CE1 3.98Å; H256-F275 AromaticContact CG-CE1 3.8Å; D273-F275 VanDerWaalsContact C-N 3.26Å; D273-F275 PolarHBondContact O-N 3.29Å; D273-F275 PolarHBondContact OD1-N 3.17Å; F275-Q277 PolarHBondContact O-N 3.29Å; F275-S278 VanDerWaalsContact O-CB 3.25Å; F275-S278 WeakPolarHBondContact O-CB 3.46Å; F275-S278 PolarHBondContact O-N 3.21Å; F275-S278 VanDerWaalsContact O-N 3.09Å; F275-E280 HydrophobicContact CE2-CB 4.2Å; F275-R281 HydrophobicContact CE1-CG 4.25Å; F275-R281 HydrophobicContact CZ-CG 4.21Å
276S82.1Confident85.9Confident3 Ų344.6 Ų44.62%0.02125%0.254CS..THydrogen-bonded Turntrans-63.7-27.8176.4-68.80000113.9Y17 R21 S261 D273Y17-S276 WeakPolarHBondContact CE1-OG 3.4Å; Y17-S276 PolarHBondContact OH-OG 2.77Å; R21-S276 VanDerWaalsContact NH2-CA 3.33Å; R21-S276 PolarHBondContact NH2-OG 3.4Å; S261-S276 WeakPolarHBondContact CB-O 3.34Å; S261-S276 PolarHBondContact N-O 2.95Å; S261-S276 PolarHBondContact OG-O 2.96Å; D273-S276 VanDerWaalsContact O-CB 3.32Å; D273-S276 WeakPolarHBondContact O-CB 3.39Å; D273-S276 PolarHBondContact O-N 2.69Å; D273-S276 VanDerWaalsContact O-N 3.12Å; D273-S276 WeakPolarHBondContact OD1-CB 2.99Å; D273-S276 PolarHBondContact OD1-N 3.34Å; D273-S276 PolarHBondContact OD1-OG 3.41Å
277Q86.3Confident87.1Confident74 Ų7445.2 Ų45.235%0.34625%0.253SS..THydrogen-bonded Turntrans-96.2-3.8176.5-59.8178.662.400112.4P272 D273 D274 F275P272-Q277 HydrophobicContact CB-CG 3.91Å; P272-Q277 HydrophobicContact CG-CG 3.92Å; P272-Q277 PolarHBondContact O-NE2 2.98Å; D273-Q277 PolarHBondContact O-N 3.02Å; D274-Q277 PolarHBondContact O-N 3.14Å; F275-Q277 PolarHBondContact O-N 3.29Å
278S89.8Confident88Confident28 Ų2845.2 Ų45.220%0.19625%0.252CS..  trans-75.9143.4-174.5-176.30000112.5D274 F275 E280 R281D274-S278 WeakPolarHBondContact O-CB 3.41Å; D274-S278 PolarHBondContact O-N 3.2Å; D274-S278 VanDerWaalsContact O-N 3.11Å; F275-S278 VanDerWaalsContact O-CB 3.25Å; F275-S278 WeakPolarHBondContact O-CB 3.46Å; F275-S278 PolarHBondContact O-N 3.21Å; F275-S278 VanDerWaalsContact O-N 3.09Å; S278-E280 PolarHBondContact O-N 2.6Å; S278-E280 WeakPolarHBondContact OG-CB 3.47Å; S278-E280 VanDerWaalsContact OG-CG 3.3Å; S278-E280 WeakPolarHBondContact OG-CG 3.36Å; S278-E280 PolarHBondContact OG-N 2.8Å; S278-E280 VanDerWaalsContact OG-N 3.09Å; S278-R281 PolarHBondContact O-N 3.3Å
279T93Very high88.8Confident100 Ų10050 Ų5061%0.61327%0.27SS*.THydrogen-bonded Turntrans-66.4-10.3168.554.80000112.5R281 E282 H283T279-R281 VanDerWaalsContact C-N 3.28Å; T279-R281 PolarHBondContact O-N 3.23Å; T279-E282 WeakPolarHBondContact O-CB 3.11Å; T279-E282 PolarHBondContact O-N 3.37Å; T279-E282 VanDerWaalsContact O-N 3.13Å; T279-H283 PolarHBondContact O-N 2.96Å
280E94.8Very high90.1Very high44 Ų4448.9 Ų48.921%0.20626%0.255CS..Hα-helixtrans-61-34.3175.2-71.7-169.2-173.700113.1G213 Q214 F275 S278 E282 H283 E284G213-E280 WeakPolarHBondContact CA-OE2 3.25Å; Q214-E280 HydrophobicContact CB-CG 4.03Å; Q214-E280 VanDerWaalsContact CD-OE1 3.31Å; Q214-E280 HydrophobicContact CG-CG 4.42Å; Q214-E280 WeakPolarHBondContact CG-OE1 3.18Å; F275-E280 HydrophobicContact CE2-CB 4.2Å; S278-E280 PolarHBondContact O-N 2.6Å; S278-E280 WeakPolarHBondContact OG-CB 3.47Å; S278-E280 VanDerWaalsContact OG-CG 3.3Å; S278-E280 WeakPolarHBondContact OG-CG 3.36Å; S278-E280 PolarHBondContact OG-N 2.8Å; S278-E280 VanDerWaalsContact OG-N 3.09Å; E280-E282 VanDerWaalsContact C-N 3.33Å; E280-H283 WeakPolarHBondContact O-CB 3.29Å; E280-H283 PolarHBondContact O-N 2.83Å; E280-E284 PolarHBondContact O-N 2.92Å
281R95.4Very high91.3Very high0 Ų048.6 Ų48.60%026%0.261CS..Hα-helixtrans-67.4-36.5174.3-66.9-173.1133.2-85.74.7112.1D14 H256 P257 G258 F275 S278 T279 L285D14-R281 IonicContact OD2-CZ 3.68Å; D14-R281 IonicContact OD2-NH2 3.87Å; D14-R281 PolarHBondContact OD2-NH2 3.2Å; H256-R281 VanDerWaalsContact C-NH1 3.28Å; H256-R281 HydrophobicContact CB-CG 4.43Å; H256-R281 WeakPolarHBondContact O-CA 3.48Å; H256-R281 VanDerWaalsContact O-CB 3.31Å; H256-R281 WeakPolarHBondContact O-CB 3.4Å; H256-R281 WeakPolarHBondContact O-CG 3.45Å; H256-R281 PolarHBondContact O-NH1 2.78Å; P257-R281 PolarHBondContact O-NH1 3.41Å; P257-R281 VanDerWaalsContact O-NH1 3.09Å; G258-R281 PolarHBondContact N-O 3.17Å; G258-R281 VanDerWaalsContact N-O 3.14Å; G258-R281 CarbonylContact O-C 3.55Å; G258-R281 WeakPolarHBondContact O-CB 3.37Å; F275-R281 HydrophobicContact CE1-CG 4.25Å; F275-R281 HydrophobicContact CZ-CG 4.21Å; S278-R281 PolarHBondContact O-N 3.3Å; T279-R281 VanDerWaalsContact C-N 3.28Å; T279-R281 PolarHBondContact O-N 3.23Å; R281-L285 WeakPolarHBondContact O-CB 3.32Å; R281-L285 PolarHBondContact O-N 3.49Å
282E96.6Very high92.3Very high67 Ų6750.1 Ų50.131%0.31327%0.268SS..Hα-helixtrans-71.6-34.7175.3-174.8168.8-147.800111.1G258 P260 T279 E280 L285 N286G258-E282 WeakPolarHBondContact O-CA 3.48Å; G258-E282 PolarHBondContact O-N 2.93Å; G258-E282 VanDerWaalsContact O-N 3.08Å; P260-E282 HydrophobicContact CG-CB 4.5Å; T279-E282 WeakPolarHBondContact O-CB 3.11Å; T279-E282 PolarHBondContact O-N 3.37Å; T279-E282 VanDerWaalsContact O-N 3.13Å; E280-E282 VanDerWaalsContact C-N 3.33Å; E282-L285 WeakPolarHBondContact O-CB 3.07Å; E282-L285 PolarHBondContact O-N 3.12Å; E282-N286 WeakPolarHBondContact O-CB 3.44Å; E282-N286 VanDerWaalsContact O-CG 3.22Å; E282-N286 PolarHBondContact O-N 3.09Å; E282-N286 PolarHBondContact O-ND2 2.65Å; E282-N286 VanDerWaalsContact O-ND2 3.12Å
283H97.6Very high93Very high68 Ų6849.4 Ų49.432%0.31526%0.263SS..Hα-helixtrans-60.4-49.1171.7176.580.3000111.7G213 M216 T279 E280 L285 N286 M287G213-H283 PolarHBondContact O-CD2 3.33Å; G213-H283 VanDerWaalsContact O-CD2 3.29Å; M216-H283 PolarHBondContact O-NE2 3.41Å; T279-H283 PolarHBondContact O-N 2.96Å; E280-H283 WeakPolarHBondContact O-CB 3.29Å; E280-H283 PolarHBondContact O-N 2.83Å; H283-L285 VanDerWaalsContact C-N 3.34Å; H283-L285 PolarHBondContact O-N 3.32Å; H283-N286 PolarHBondContact O-N 3.46Å; H283-M287 WeakPolarHBondContact O-CB 3.31Å; H283-M287 WeakPolarHBondContact O-CG 3.21Å; H283-M287 PolarHBondContact O-N 3.37Å
284E97.8Very high93.6Very high1 Ų149.7 Ų49.71%0.00526%0.264CS..Hα-helixtrans-58.6-45.4174.4-72.2-162.2-143.600112G213 M216 V255 H256 E280 N286 M287 L288G213-E284 WeakPolarHBondContact CA-OE1 3.44Å; G213-E284 PolarHBondContact N-OE1 2.76Å; M216-E284 HydrophobicContact CB-CG 4.18Å; M216-E284 HydrophobicContact CE-CB 4.08Å; M216-E284 HydrophobicContact CE-CG 3.68Å; M216-E284 WeakPolarHBondContact CE-OE2 3.39Å; M216-E284 HydrophobicContact SD-CB 4.06Å; M216-E284 HydrophobicContact SD-CG 4.02Å; V255-E284 WeakPolarHBondContact CA-OE2 3.41Å; V255-E284 WeakPolarHBondContact CB-OE2 3.34Å; H256-E284 PolarHBondContact N-OE2 3.12Å; H256-E284 IonicContact ND1-OE1 2.91Å; E280-E284 PolarHBondContact O-N 2.92Å; E284-N286 VanDerWaalsContact C-N 3.32Å; E284-N286 PolarHBondContact O-N 3.39Å; E284-M287 PolarHBondContact O-N 3.2Å; E284-L288 WeakPolarHBondContact O-CB 3.25Å; E284-L288 VanDerWaalsContact O-CG 3.31Å; E284-L288 WeakPolarHBondContact O-CG 3.47Å; E284-L288 PolarHBondContact O-N 3.09Å
285L97.7Very high94.2Very high0 Ų047.8 Ų47.80%025%0.25CS..Hα-helixtrans-54.4-48175.3173.862000111.6G24 C28 P257 Y259 R281 E282 H283 R289G24-L285 WeakPolarHBondContact O-CD1 3.44Å; C28-L285 HydrophobicContact CB-CD1 3.6Å; P257-L285 HydrophobicContact CB-CB 4.03Å; P257-L285 HydrophobicContact CB-CD1 4.25Å; Y259-L285 HydrophobicContact CD1-CD2 4.14Å; Y259-L285 HydrophobicContact CE1-CD2 3.73Å; Y259-L285 HydrophobicContact CE2-CD2 4.28Å; R281-L285 WeakPolarHBondContact O-CB 3.32Å; R281-L285 PolarHBondContact O-N 3.49Å; E282-L285 WeakPolarHBondContact O-CB 3.07Å; E282-L285 PolarHBondContact O-N 3.12Å; H283-L285 VanDerWaalsContact C-N 3.34Å; H283-L285 PolarHBondContact O-N 3.32Å; L285-R289 VanDerWaalsContact CD1-CD 3.47Å; L285-R289 HydrophobicContact CD1-CG 4.2Å; L285-R289 WeakPolarHBondContact O-CB 3.14Å; L285-R289 WeakPolarHBondContact O-CD 3.31Å; L285-R289 WeakPolarHBondContact O-CG 3.39Å; L285-R289 PolarHBondContact O-N 2.86Å; L285-R289 VanDerWaalsContact O-N 3.16Å
286N97.9Very high94.9Very high87 Ų8745.9 Ų45.947%0.46524%0.242SC..Hα-helixtrans-67-39.8-179.8-70.6-31.5000112E282 H283 E284 R289 S290E282-N286 WeakPolarHBondContact O-CB 3.44Å; E282-N286 VanDerWaalsContact O-CG 3.22Å; E282-N286 PolarHBondContact O-N 3.09Å; E282-N286 PolarHBondContact O-ND2 2.65Å; E282-N286 VanDerWaalsContact O-ND2 3.12Å; H283-N286 PolarHBondContact O-N 3.46Å; E284-N286 VanDerWaalsContact C-N 3.32Å; E284-N286 PolarHBondContact O-N 3.39Å; N286-R289 PolarHBondContact O-N 3.39Å; N286-S290 PolarHBondContact O-N 2.9Å
287M98Very high95.5Very high32 Ų3246.1 Ų46.116%0.15824%0.243CC..Hα-helixtrans-63.3-49.1176.7-78.1-57.3-44.800112.1M216 V218 H283 E284 R289 S290 V293M216-M287 HydrophobicContact CB-CG 4.46Å; M216-M287 HydrophobicContact CG-CB 3.97Å; M216-M287 HydrophobicContact CG-CG 4.26Å; M216-M287 HydrophobicContact SD-CB 3.76Å; V218-M287 HydrophobicContact CG2-CE 3.98Å; H283-M287 WeakPolarHBondContact O-CB 3.31Å; H283-M287 WeakPolarHBondContact O-CG 3.21Å; H283-M287 PolarHBondContact O-N 3.37Å; E284-M287 PolarHBondContact O-N 3.2Å; M287-R289 PolarHBondContact O-N 3.3Å; M287-S290 VanDerWaalsContact O-CB 3.27Å; M287-S290 WeakPolarHBondContact O-CB 3.11Å; M287-S290 PolarHBondContact O-N 3.3Å; M287-S290 PolarHBondContact O-OG 3.37Å; M287-V293 HydrophobicContact CE-CG2 3.74Å; M287-V293 WeakPolarHBondContact O-CG2 2.95Å
288L97.6Very high95.8Very high0 Ų047.6 Ų47.60%026%0.26CS..Hα-helixtrans-67.2-24.8-178.4-69.4165.3000112.9C28 G33 I34 M216 V255 P257 E284C28-L288 WeakPolarHBondContact SG-CB 3.44Å; G33-L288 VanDerWaalsContact CA-O 3.24Å; G33-L288 WeakPolarHBondContact CA-O 3.47Å; I34-L288 HydrophobicContact CG2-CD1 4.08Å; M216-L288 HydrophobicContact CE-CD1 4.33Å; M216-L288 HydrophobicContact CE-CD2 4.43Å; M216-L288 HydrophobicContact CE-CG 4.36Å; M216-L288 HydrophobicContact SD-CD1 4.27Å; M216-L288 HydrophobicContact SD-CD2 4.07Å; M216-L288 HydrophobicContact SD-CG 3.77Å; V255-L288 HydrophobicContact CB-CD1 3.9Å; V255-L288 HydrophobicContact CG1-CD1 4.05Å; V255-L288 HydrophobicContact CG1-CD2 4.29Å; V255-L288 HydrophobicContact CG2-CD1 3.85Å; P257-L288 HydrophobicContact CB-CD1 4.07Å; P257-L288 HydrophobicContact CG-CD1 4.12Å; E284-L288 WeakPolarHBondContact O-CB 3.25Å; E284-L288 VanDerWaalsContact O-CG 3.31Å; E284-L288 WeakPolarHBondContact O-CG 3.47Å; E284-L288 PolarHBondContact O-N 3.09Å
289R96.8Very high96Very high105 Ų10552.8 Ų52.840%0.39628%0.281SS..THydrogen-bonded Turntrans-86.2-8.3173.5-67.5172.161.2-165.52.3113.5A31 L285 N286 M287A31-R289 HydrophobicContact CB-CB 4.27Å; A31-R289 HydrophobicContact CB-CG 3.69Å; L285-R289 VanDerWaalsContact CD1-CD 3.47Å; L285-R289 HydrophobicContact CD1-CG 4.2Å; L285-R289 WeakPolarHBondContact O-CB 3.14Å; L285-R289 WeakPolarHBondContact O-CD 3.31Å; L285-R289 WeakPolarHBondContact O-CG 3.39Å; L285-R289 PolarHBondContact O-N 2.86Å; L285-R289 VanDerWaalsContact O-N 3.16Å; N286-R289 PolarHBondContact O-N 3.39Å; M287-R289 PolarHBondContact O-N 3.3Å
290S97.2Very high96Very high23 Ų2349 Ų4916%0.16126%0.256CS..SBendtrans-73.8139.8-175.275.40000111.2N286 M287 S292 V293 L294N286-S290 PolarHBondContact O-N 2.9Å; M287-S290 VanDerWaalsContact O-CB 3.27Å; M287-S290 WeakPolarHBondContact O-CB 3.11Å; M287-S290 PolarHBondContact O-N 3.3Å; M287-S290 PolarHBondContact O-OG 3.37Å; S290-S292 PolarHBondContact O-N 2.9Å; S290-S292 VanDerWaalsContact O-N 3.15Å; S290-V293 PolarHBondContact O-N 3.49Å; S290-V293 PolarHBondContact OG-N 3.42Å; S290-L294 PolarHBondContact O-N 2.95Å
291P96.4Very high95.9Very high88 Ų8848 Ų4857%0.57126%0.258SS*.Hα-helixtrans-54.5-33.9173.1-27.335.2000112.8V293 L294 E295P291-V293 PolarHBondContact O-N 3.31Å; P291-L294 PolarHBondContact O-N 3.34Å; P291-E295 WeakPolarHBondContact O-CB 3.44Å; P291-E295 WeakPolarHBondContact O-CG 3.28Å; P291-E295 PolarHBondContact O-N 3.49Å
292S97.1Very high95.9Very high60 Ų6048.8 Ų48.842%0.4226%0.263SS..Hα-helixtrans-64.7-33.8-178.5-530000113.8S290 L296S290-S292 PolarHBondContact O-N 2.9Å; S290-S292 VanDerWaalsContact O-N 3.15Å; S292-L296 WeakPolarHBondContact O-CB 3.4Å; S292-L296 PolarHBondContact O-N 2.95Å
293V96Very high95.9Very high0 Ų050.3 Ų50.30%027%0.27CS..Hα-helixtrans-73.2-40.5174.8169.20000110.9V218 L221 M287 S290 P291 E295 L296 Y297V218-V293 HydrophobicContact CG2-CG2 4.38Å; L221-V293 HydrophobicContact CD1-CG1 4.1Å; L221-V293 HydrophobicContact CD1-CG2 3.77Å; M287-V293 HydrophobicContact CE-CG2 3.74Å; M287-V293 WeakPolarHBondContact O-CG2 2.95Å; S290-V293 PolarHBondContact O-N 3.49Å; S290-V293 PolarHBondContact OG-N 3.42Å; P291-V293 PolarHBondContact O-N 3.31Å; V293-E295 PolarHBondContact O-N 3.47Å; V293-L296 WeakPolarHBondContact O-CB 3.23Å; V293-L296 PolarHBondContact O-N 2.89Å; V293-Y297 HydrophobicContact CG1-CD2 4.44Å; V293-Y297 HydrophobicContact CG1-CE1 3.94Å; V293-Y297 HydrophobicContact CG1-CE2 3.85Å; V293-Y297 PolarHBondContact O-N 3.42Å
294L92.9Very high95.8Very high70 Ų7049.5 Ų49.537%0.36627%0.268SS..Hα-helixtrans-65.1-40176.3-59.9178.9000111.8S290 P291 Y297 C298S290-L294 PolarHBondContact O-N 2.95Å; P291-L294 PolarHBondContact O-N 3.34Å; L294-Y297 PolarHBondContact O-N 3.39Å; L294-C298 PolarHBondContact O-N 3.25Å; L294-C298 VanDerWaalsContact O-N 3.09Å
295E95.8Very high95.8Very high110 Ų11050 Ų5051%0.51427%0.271SS..Hα-helixtrans-62.6-42.4172.4-76.6173.6-166.400111.7P291 V293 Y297 C298 Q299P291-E295 WeakPolarHBondContact O-CB 3.44Å; P291-E295 WeakPolarHBondContact O-CG 3.28Å; P291-E295 PolarHBondContact O-N 3.49Å; V293-E295 PolarHBondContact O-N 3.47Å; E295-Y297 VanDerWaalsContact C-N 3.35Å; E295-Y297 PolarHBondContact O-N 3.2Å; E295-C298 WeakPolarHBondContact O-CB 3.35Å; E295-C298 PolarHBondContact O-N 2.89Å; E295-Q299 WeakPolarHBondContact O-CB 3.23Å; E295-Q299 VanDerWaalsContact O-CG 3.26Å; E295-Q299 WeakPolarHBondContact O-CG 3.49Å; E295-Q299 PolarHBondContact O-N 3.42Å
296L96.4Very high95.7Very high4 Ų450 Ų502%0.02127%0.271CS..Hα-helixtrans-58.6-45.6174.817265.9000111.5V218 L221 Q222 L225 S292 V293 C298 Q299 E300V218-L296 HydrophobicContact CG1-CD2 4.21Å; L221-L296 HydrophobicContact CB-CD2 3.76Å; Q222-L296 HydrophobicContact CB-CD1 3.71Å; Q222-L296 HydrophobicContact CB-CD2 4.08Å; Q222-L296 HydrophobicContact CG-CD1 3.79Å; L225-L296 HydrophobicContact CD1-CD2 4.11Å; L225-L296 HydrophobicContact CD1-CG 4.06Å; S292-L296 WeakPolarHBondContact O-CB 3.4Å; S292-L296 PolarHBondContact O-N 2.95Å; V293-L296 WeakPolarHBondContact O-CB 3.23Å; V293-L296 PolarHBondContact O-N 2.89Å; L296-C298 VanDerWaalsContact C-N 3.31Å; L296-C298 PolarHBondContact O-N 3.04Å; L296-Q299 PolarHBondContact O-N 3.5Å; L296-E300 HydrophobicContact CD1-CG 3.8Å; L296-E300 PolarHBondContact O-N 3.07Å
297Y94.9Very high95.6Very high8 Ų845.9 Ų45.93%0.03125%0.249CC..Hα-helixtrans-59.5-43176.6-67.9-11.6000111.7M8 L225 L253 V293 L294 E295 G301 V302 L304M8-Y297 HydrophobicContact CE-CD1 4.15Å; M8-Y297 HydrophobicContact CE-CE1 3.63Å; M8-Y297 HydrophobicContact CE-CE2 4.12Å; L225-Y297 HydrophobicContact CD1-CD1 4.06Å; L225-Y297 HydrophobicContact CD1-CE1 4.24Å; L253-Y297 WeakPolarHBondContact CD2-OH 3.3Å; V293-Y297 HydrophobicContact CG1-CD2 4.44Å; V293-Y297 HydrophobicContact CG1-CE1 3.94Å; V293-Y297 HydrophobicContact CG1-CE2 3.85Å; V293-Y297 PolarHBondContact O-N 3.42Å; L294-Y297 PolarHBondContact O-N 3.39Å; E295-Y297 VanDerWaalsContact C-N 3.35Å; E295-Y297 PolarHBondContact O-N 3.2Å; Y297-G301 PolarHBondContact O-N 3.16Å; Y297-G301 VanDerWaalsContact O-N 3.16Å; Y297-V302 HydrophobicContact CG-CB 4.4Å; Y297-V302 HydrophobicContact CG-CG1 4.46Å; Y297-V302 WeakPolarHBondContact O-CB 3.25Å; Y297-V302 PolarHBondContact O-N 2.95Å; Y297-L304 HydrophobicContact CD2-CD1 4.41Å; Y297-L304 HydrophobicContact CD2-CD2 4.19Å; Y297-L304 HydrophobicContact CD2-CG 4.49Å; Y297-L304 HydrophobicContact CE2-CD1 4.36Å; Y297-L304 HydrophobicContact CE2-CD2 4.17Å
298C92.6Very high95.2Very high104 Ų10451.2 Ų51.270%0.70327%0.267SS*.Hα-helixtrans-61.7-46.7174.8-173.10000112.1L294 E295 L296 E300 G301L294-C298 PolarHBondContact O-N 3.25Å; L294-C298 VanDerWaalsContact O-N 3.09Å; E295-C298 WeakPolarHBondContact O-CB 3.35Å; E295-C298 PolarHBondContact O-N 2.89Å; L296-C298 VanDerWaalsContact C-N 3.31Å; L296-C298 PolarHBondContact O-N 3.04Å; C298-E300 PolarHBondContact O-N 2.75Å; C298-G301 PolarHBondContact O-N 2.76Å
299Q93.8Very high94.9Very high137 Ų13755.8 Ų55.864%0.6429%0.292SS*.Hα-helixtrans-62.4-40.1-179.4-73.1170.69.800112.9E295 L296 G301E295-Q299 WeakPolarHBondContact O-CB 3.23Å; E295-Q299 VanDerWaalsContact O-CG 3.26Å; E295-Q299 WeakPolarHBondContact O-CG 3.49Å; E295-Q299 PolarHBondContact O-N 3.42Å; L296-Q299 PolarHBondContact O-N 3.5Å; Q299-G301 VanDerWaalsContact C-N 3.28Å; Q299-G301 PolarHBondContact O-N 2.97Å
300E92.4Very high94.5Very high20 Ų2053.2 Ų53.29%0.09329%0.286CS..Hα-helixtrans-84.6-2-180-61.6-65.9170.100112.7Q222 L225 K226 L296 C298 V302Q222-E300 PolarHBondContact NE2-OE1 3.33Å; L225-E300 HydrophobicContact CD1-CB 4.36Å; L225-E300 HydrophobicContact CD1-CG 4.24Å; K226-E300 WeakPolarHBondContact CE-OE1 3.42Å; L296-E300 HydrophobicContact CD1-CG 3.8Å; L296-E300 PolarHBondContact O-N 3.07Å; C298-E300 PolarHBondContact O-N 2.75Å; E300-V302 HydrophobicContact CB-CG2 4.1Å
301G93.1Very high94.4Very high23 Ų2354.8 Ų54.824%0.23729%0.292CS..THydrogen-bonded Turntrans72.335.6178.600000113.1R5 L6 Y297 C298 Q299R5-G301 PolarHBondContact N-O 3.44Å; L6-G301 PolarHBondContact N-O 3.09Å; Y297-G301 PolarHBondContact O-N 3.16Å; Y297-G301 VanDerWaalsContact O-N 3.16Å; C298-G301 PolarHBondContact O-N 2.76Å; Q299-G301 VanDerWaalsContact C-N 3.28Å; Q299-G301 PolarHBondContact O-N 2.97Å
302V95.4Very high94.3Very high17 Ų1753 Ų5310%0.10328%0.278CS..EExtended strand (participates in β ladder)trans-86.2130.4177.8-176.90000109.8L6 M8 L225 Y297 E300 L304L6-V302 HydrophobicContact CB-CG2 4.27Å; L6-V302 HydrophobicContact CD2-CG1 4.23Å; L6-V302 HydrophobicContact CD2-CG2 3.87Å; L6-V302 WeakPolarHBondContact O-CA 2.86Å; M8-V302 HydrophobicContact CB-CG1 3.68Å; M8-V302 HydrophobicContact CE-CG1 3.66Å; M8-V302 HydrophobicContact SD-CG1 4.2Å; L225-V302 HydrophobicContact CD1-CG2 4.26Å; L225-V302 HydrophobicContact CD2-CG2 4.01Å; Y297-V302 HydrophobicContact CG-CB 4.4Å; Y297-V302 HydrophobicContact CG-CG1 4.46Å; Y297-V302 WeakPolarHBondContact O-CB 3.25Å; Y297-V302 PolarHBondContact O-N 2.95Å; E300-V302 HydrophobicContact CB-CG2 4.1Å; V302-L304 HydrophobicContact CG1-CD2 4.16Å
303Q96Very high94.1Very high99 Ų9952.6 Ų52.646%0.46327%0.27SS..EExtended strand (participates in β ladder)trans-114.5123.4169.1174.7179.6-4000109P4 L6 L7 M8P4-Q303 HydrophobicContact CB-CB 3.65Å; P4-Q303 HydrophobicContact CG-CB 4.19Å; L6-Q303 PolarHBondContact O-N 3.45Å; L7-Q303 WeakPolarHBondContact CA-O 3.33Å; L7-Q303 HydrophobicContact CD2-CB 4.03Å; L7-Q303 HydrophobicContact CD2-CG 3.98Å; M8-Q303 PolarHBondContact N-O 2.87Å
304L96.8Very high94Very high52 Ų5255.7 Ų55.727%0.27229%0.286SS..EExtended strand (participates in β ladder)trans-74.3141.8176.6-58.6-169.7000111.2M8 V10 G32 Y297 V302M8-L304 HydrophobicContact CB-CD2 4.28Å; M8-L304 HydrophobicContact CE-CD2 3.81Å; M8-L304 CarbonylContact O-C 3.55Å; M8-L304 VanDerWaalsContact O-CA 3.29Å; M8-L304 WeakPolarHBondContact O-CA 3.25Å; V10-L304 HydrophobicContact CG2-CD2 3.66Å; G32-L304 WeakPolarHBondContact O-CD1 3.42Å; Y297-L304 HydrophobicContact CD2-CD1 4.41Å; Y297-L304 HydrophobicContact CD2-CD2 4.19Å; Y297-L304 HydrophobicContact CD2-CG 4.49Å; Y297-L304 HydrophobicContact CE2-CD1 4.36Å; Y297-L304 HydrophobicContact CE2-CD2 4.17Å; V302-L304 HydrophobicContact CG1-CD2 4.16Å
305C96.5Very high94.1Very high11 Ų1154.8 Ų54.87%0.07428%0.28CS..  trans-150.4168.7178.361.90000110.8M8 V9 S35 D309M8-C305 PolarHBondContact O-N 3.37Å; V9-C305 WeakPolarHBondContact CA-O 3.5Å; S35-C305 VanDerWaalsContact CB-O 3.25Å; S35-C305 WeakPolarHBondContact CB-O 3.21Å; S35-C305 PolarHBondContact OG-O 3.19Å; C305-D309 HydrophobicContact CB-CB 4.05Å
306G95.9Very high94Very high1 Ų151.1 Ų51.11%0.0127%0.265CS..  trans-100.3167.2168.800000111.5R308 D309G306-R308 PolarHBondContact O-N 3.29Å; G306-R308 VanDerWaalsContact O-N 3.13Å; G306-D309 PolarHBondContact N-OD2 2.94Å; G306-D309 WeakPolarHBondContact O-CB 3.06Å; G306-D309 PolarHBondContact O-N 3.11Å
307F96.3Very high93.8Very high0 Ų054.5 Ų54.50%028%0.282CS..G310 helixtrans-57.7-28.6176.8-78.9-77.6000114.1V9 N36 H130 F158 P203 E252 D309 L310V9-F307 HydrophobicContact CB-CE2 4.47Å; V9-F307 HydrophobicContact CG1-CD2 3.81Å; V9-F307 HydrophobicContact CG1-CE2 3.72Å; V9-F307 HydrophobicContact CG1-CG 4.46Å; V9-F307 HydrophobicContact CG1-CZ 4.31Å; V9-F307 HydrophobicContact CG2-CG 4.48Å; N36-F307 WeakPolarHBondContact ND2-CD2 3.39Å; N36-F307 WeakPolarHBondContact ND2-CE2 3.3Å; H130-F307 HydrophobicContact CB-CB 4.06Å; H130-F307 HydrophobicContact CB-CD1 4.02Å; H130-F307 HydrophobicContact CB-CD2 3.54Å; H130-F307 HydrophobicContact CB-CE1 4.31Å; H130-F307 HydrophobicContact CB-CE2 3.87Å; H130-F307 HydrophobicContact CB-CG 3.61Å; H130-F307 HydrophobicContact CB-CZ 4.25Å; H130-F307 AromaticContact CD2-CD2 3.83Å; H130-F307 AromaticContact CD2-CE2 3.48Å; H130-F307 VanDerWaalsContact CD2-CE2 3.48Å; H130-F307 WeakPolarHBondContact CD2-CE2 3.2Å; H130-F307 AromaticContact CE1-CD2 3.95Å; H130-F307 AromaticContact CG-CD2 3.25Å; H130-F307 AromaticContact CG-CE2 3.42Å; H130-F307 VanDerWaalsContact CG-CE2 3.42Å; H130-F307 AromaticContact CG-CG 3.9Å; H130-F307 AromaticContact ND1-CD2 3.34Å; H130-F307 VanDerWaalsContact ND1-CD2 3.34Å; H130-F307 WeakPolarHBondContact ND1-CD2 3.27Å; H130-F307 AromaticContact ND1-CE2 3.81Å; H130-F307 AromaticContact NE2-CE2 3.89Å; F158-F307 HydrophobicContact CB-CD1 3.74Å; F158-F307 HydrophobicContact CB-CE1 4.22Å; F158-F307 HydrophobicContact CB-CG 4.4Å; F158-F307 HydrophobicContact CD1-CD1 4.07Å; F158-F307 HydrophobicContact CD2-CB 4.27Å; F158-F307 HydrophobicContact CD2-CD1 4.27Å; F158-F307 VanDerWaalsContact CE2-O 3.23Å; F158-F307 WeakPolarHBondContact CE2-O 3.41Å; F158-F307 AromaticContact CG-CD1 3.8Å; F158-F307 HydrophobicContact CG-CD1 3.8Å; P203-F307 HydrophobicContact CG-CE1 3.83Å; E252-F307 HydrophobicContact CG-CZ 4.39Å; F307-D309 PolarHBondContact O-N 3.17Å; F307-L310 HydrophobicContact CD1-CD1 4.19Å; F307-L310 PolarHBondContact O-N 3.4Å
308R89.9Confident93.7Very high143 Ų14358.1 Ų58.154%0.5430%0.302SS..G310 helixtrans-66-17.7175.970.5-179.6176.3-155-6.3113.8G306G306-R308 PolarHBondContact O-N 3.29Å; G306-R308 VanDerWaalsContact O-N 3.13Å
309D90.6Very high93.8Very high97 Ų9754.3 Ų54.352%0.51927%0.268SS..G310 helixtrans-94.9-0.5-178.7-49.6-49.9000111.7C305 G306 F307C305-D309 HydrophobicContact CB-CB 4.05Å; G306-D309 PolarHBondContact N-OD2 2.94Å; G306-D309 WeakPolarHBondContact O-CB 3.06Å; G306-D309 PolarHBondContact O-N 3.11Å; F307-D309 PolarHBondContact O-N 3.17Å
310L89.1Confident93.8Very high51 Ų5146.7 Ų46.727%0.26723%0.234SC..  trans-102.50-179-59.8-173.3000114.5L7 V9 F158 R201 P203 T250 F307L7-L310 HydrophobicContact CB-CD2 4.37Å; V9-L310 HydrophobicContact CG2-CD1 3.68Å; V9-L310 HydrophobicContact CG2-CG 4.25Å; F158-L310 HydrophobicContact CE1-CB 4.11Å; F158-L310 HydrophobicContact CE2-CB 4.04Å; F158-L310 WeakPolarHBondContact CE2-O 3.34Å; F158-L310 HydrophobicContact CZ-CB 3.47Å; F158-L310 VanDerWaalsContact CZ-CB 3.47Å; F158-L310 WeakPolarHBondContact CZ-O 3.36Å; R201-L310 PolarHBondContact NH1-O 2.93Å; R201-L310 PolarHBondContact NH1-OXT 2.88Å; R201-L310 PolarHBondContact NH2-O 3.04Å; P203-L310 HydrophobicContact CG-CD1 4.06Å; T250-L310 HydrophobicContact CG2-CD2 3.81Å; F307-L310 HydrophobicContact CD1-CD1 4.19Å; F307-L310 PolarHBondContact O-N 3.4Å

Retrieved 310 of 310 residues in 657.9 ms (Link to these results)

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