A0A087YIV1_POEFO Loading...

Cryptochrome-1

AlphaFold DB , UniProt , Accession A0A087YIV1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 625 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
1M73.5Confident94.7Very high208 Ų20839.2 Ų39.2100%1.02520%0.198SC*.  0130.10-179.8179.7-101.900105.9I3M1-I3 PolarHBondContact O-N 2.9Å
2V91.6Very high95Very high91 Ų9136.2 Ų36.255%0.55218%0.184SC*.  trans-70.5127.3178.2-179.80000108.3D29V2-D29 VanDerWaalsContact CA-OD2 3.28Å; V2-D29 WeakPolarHBondContact CA-OD2 3.44Å; V2-D29 HydrophobicContact CG1-CB 3.87Å
3I96.3Very high95.3Very high37 Ų3733.5 Ų33.519%0.1917%0.171CC..  trans-98.3109.4-178.5-65.6163.7000108.3M1 G27 A28 D29 T30 R95M1-I3 PolarHBondContact O-N 2.9Å; I3-G27 WeakPolarHBondContact CD1-O 3.4Å; I3-A28 HydrophobicContact CG2-CB 4.18Å; I3-D29 PolarHBondContact N-OD2 3.09Å; I3-D29 PolarHBondContact O-N 2.89Å; I3-T30 PolarHBondContact O-N 3.26Å; I3-T30 VanDerWaalsContact O-N 3.08Å; I3-R95 HydrophobicContact CG2-CG 4.32Å
4N97.9Very high95.5Very high23 Ų2331.1 Ų31.112%0.12316%0.159CC..EExtended strand (participates in β ladder)trans-106.7122.2177.2-56.9-50.8000109.5T30 K92 I93 T94 R95N4-T30 WeakPolarHBondContact CA-OG1 3.44Å; N4-T30 PolarHBondContact OD1-OG1 3.22Å; N4-K92 WeakPolarHBondContact CB-O 3.13Å; N4-K92 PolarHBondContact ND2-O 3.46Å; N4-I93 HydrophobicContact CB-CD1 4.02Å; N4-T94 PolarHBondContact N-OG1 3.25Å; N4-T94 PolarHBondContact O-N 3.17Å; N4-T94 PolarHBondContact O-OG1 3.25Å; N4-R95 PolarHBondContact O-N 3.48Å
5T98.1Very high95.7Very high0 Ų029.8 Ų29.80%015%0.152CC..EExtended strand (participates in β ladder)trans-113.6138.5-173.5-61.90000111S24 A28 T30 V31 R32 R95T5-S24 PolarHBondContact OG1-O 3.28Å; T5-A28 WeakPolarHBondContact OG1-CB 3.44Å; T5-T30 WeakPolarHBondContact CB-O 3.46Å; T5-T30 PolarHBondContact N-O 3.08Å; T5-V31 HydrophobicContact CG2-CG2 4.44Å; T5-V31 CarbonylContact O-C 3.51Å; T5-V31 WeakPolarHBondContact O-CA 3.47Å; T5-R32 PolarHBondContact O-N 3.48Å; T5-R95 CarbonylContact C-O 3.57Å; T5-R95 WeakPolarHBondContact CA-O 3.41Å; T5-R95 HydrophobicContact CG2-CB 4.19Å
6I98.7Very high95.9Very high0 Ų028.4 Ų28.40%015%0.145CC..EExtended strand (participates in β ladder)trans-105133.3159.7-68.5176.9000108.8W8 R32 V34 F84 L87 W91 I93 R95 L96 S97I6-W8 HydrophobicContact CG2-CB 4.48Å; I6-R32 WeakPolarHBondContact CA-O 3.33Å; I6-V34 HydrophobicContact CG2-CB 4.04Å; I6-V34 HydrophobicContact CG2-CG2 3.81Å; I6-F84 HydrophobicContact CG2-CE1 4.39Å; I6-L87 HydrophobicContact CD1-CB 4.09Å; I6-L87 HydrophobicContact CD1-CD1 4.17Å; I6-W91 HydrophobicContact CD1-CE3 3.79Å; I6-W91 HydrophobicContact CD1-CZ3 3.95Å; I6-W91 HydrophobicContact CG1-CE3 4.19Å; I6-W91 HydrophobicContact CG1-CZ3 4.35Å; I6-I93 HydrophobicContact CD1-CD1 3.97Å; I6-I93 HydrophobicContact CD1-CG1 3.68Å; I6-I93 HydrophobicContact CD1-CG2 4.42Å; I6-I93 HydrophobicContact CG1-CD1 3.64Å; I6-I93 HydrophobicContact CG1-CG1 3.87Å; I6-I93 HydrophobicContact CG1-CG2 4.26Å; I6-R95 PolarHBondContact N-O 3.42Å; I6-L96 HydrophobicContact CB-CD1 3.97Å; I6-L96 HydrophobicContact CG2-CD1 3.73Å; I6-L96 CarbonylContact O-C 3.52Å; I6-L96 WeakPolarHBondContact O-CA 3.46Å; I6-S97 PolarHBondContact O-N 3.44Å
7H98.8Very high96.1Very high2 Ų226.9 Ų26.91%0.00914%0.137CC..EExtended strand (participates in β ladder)trans-104.4122.2158.4-178.168.7000109.2F9 N18 L21 R32 C33 V34 S97H7-F9 AromaticContact CD2-CD2 3.81Å; H7-F9 AromaticContact CD2-CE1 3.75Å; H7-F9 AromaticContact CD2-CE2 3.46Å; H7-F9 VanDerWaalsContact CD2-CE2 3.46Å; H7-F9 WeakPolarHBondContact CD2-CE2 3.02Å; H7-F9 AromaticContact CD2-CZ 3.43Å; H7-F9 VanDerWaalsContact CD2-CZ 3.43Å; H7-F9 WeakPolarHBondContact CD2-CZ 3.16Å; H7-F9 AromaticContact NE2-CD1 3.82Å; H7-F9 AromaticContact NE2-CE1 3.52Å; H7-F9 AromaticContact NE2-CZ 3.69Å; H7-N18 PolarHBondContact CE1-OD1 3.31Å; H7-N18 PolarHBondContact NE2-ND2 3.09Å; H7-N18 VanDerWaalsContact NE2-ND2 3.19Å; H7-L21 HydrophobicContact CB-CD1 3.64Å; H7-R32 PolarHBondContact N-O 3.28Å; H7-C33 CarbonylContact O-C 3.59Å; H7-C33 WeakPolarHBondContact O-CA 3.27Å; H7-V34 PolarHBondContact O-N 3.27Å; H7-S97 CarbonylContact C-O 3.51Å; H7-S97 WeakPolarHBondContact CA-O 3.4Å; H7-S97 PolarHBondContact ND1-O 2.91Å; H7-S97 PolarHBondContact ND1-OG 3.43Å
8W98.8Very high96.2Very high5 Ų525.6 Ų25.62%0.01913%0.13CC..EExtended strand (participates in β ladder)trans-102.4110.2-176.6174.529.9000111.5I6 R10 V34 P80 F84 L96 S97 Y98 R109 I113I6-W8 HydrophobicContact CG2-CB 4.48Å; W8-R10 HydrophobicContact CD2-CG 4.13Å; W8-R10 VanDerWaalsContact CE2-CD 3.42Å; W8-R10 VanDerWaalsContact CE2-CG 3.45Å; W8-R10 HydrophobicContact CH2-CG 4.47Å; W8-R10 HydrophobicContact CZ2-CG 3.63Å; W8-V34 WeakPolarHBondContact CA-O 3.36Å; W8-P80 HydrophobicContact CH2-CB 3.85Å; W8-P80 HydrophobicContact CH2-CG 4.07Å; W8-P80 HydrophobicContact CZ2-CB 3.9Å; W8-P80 HydrophobicContact CZ2-CG 3.72Å; W8-F84 HydrophobicContact CB-CZ 3.98Å; W8-F84 AromaticContact CD2-CE2 3.68Å; W8-F84 HydrophobicContact CD2-CE2 3.68Å; W8-F84 AromaticContact CD2-CZ 3.44Å; W8-F84 HydrophobicContact CD2-CZ 3.44Å; W8-F84 VanDerWaalsContact CD2-CZ 3.44Å; W8-F84 AromaticContact CE2-CE2 3.96Å; W8-F84 AromaticContact CE3-CE2 3.5Å; W8-F84 HydrophobicContact CE3-CE2 3.5Å; W8-F84 VanDerWaalsContact CE3-CE2 3.5Å; W8-F84 AromaticContact CE3-CZ 3.5Å; W8-F84 HydrophobicContact CE3-CZ 3.5Å; W8-F84 HydrophobicContact CG-CE2 4.36Å; W8-F84 AromaticContact CG-CZ 3.67Å; W8-F84 HydrophobicContact CG-CZ 3.67Å; W8-F84 AromaticContact CH2-CE2 3.9Å; W8-F84 HydrophobicContact CH2-CE2 3.9Å; W8-F84 HydrophobicContact CZ2-CE2 4.11Å; W8-F84 AromaticContact CZ3-CE2 3.58Å; W8-F84 HydrophobicContact CZ3-CE2 3.58Å; W8-F84 HydrophobicContact CZ3-CZ 4.1Å; W8-L96 HydrophobicContact CB-CD1 4.04Å; W8-S97 PolarHBondContact N-O 3.16Å; W8-Y98 AromaticContact CE3-CD1 3.99Å; W8-Y98 HydrophobicContact CE3-CD1 3.99Å; W8-Y98 HydrophobicContact CE3-CG 4.23Å; W8-Y98 WeakPolarHBondContact O-CB 3.37Å; W8-R109 HydrophobicContact CH2-CG 4.35Å; W8-I113 HydrophobicContact CH2-CG1 4.16Å; W8-I113 HydrophobicContact CZ3-CB 4.39Å; W8-I113 HydrophobicContact CZ3-CG1 3.99Å; W8-I113 HydrophobicContact CZ3-CG2 4.19Å
9F98.7Very high96.3Very high3 Ų324.9 Ų24.91%0.01313%0.128CC..EExtended strand (participates in β ladder)trans-79.7136.7172.2-72.2-74.2000111.3H7 G12 L13 L15 N18 L21 C33 V34 Y35 L62 L73H7-F9 AromaticContact CD2-CD2 3.81Å; H7-F9 AromaticContact CD2-CE1 3.75Å; H7-F9 AromaticContact CD2-CE2 3.46Å; H7-F9 VanDerWaalsContact CD2-CE2 3.46Å; H7-F9 WeakPolarHBondContact CD2-CE2 3.02Å; H7-F9 AromaticContact CD2-CZ 3.43Å; H7-F9 VanDerWaalsContact CD2-CZ 3.43Å; H7-F9 WeakPolarHBondContact CD2-CZ 3.16Å; H7-F9 AromaticContact NE2-CD1 3.82Å; H7-F9 AromaticContact NE2-CE1 3.52Å; H7-F9 AromaticContact NE2-CZ 3.69Å; F9-G12 VanDerWaalsContact CD1-O 3.3Å; F9-G12 WeakPolarHBondContact CD1-O 3.47Å; F9-G12 VanDerWaalsContact CE1-O 3.29Å; F9-G12 WeakPolarHBondContact CE1-O 3.09Å; F9-L13 HydrophobicContact CB-CD2 3.89Å; F9-L13 HydrophobicContact CD1-CD2 4.34Å; F9-L13 HydrophobicContact CG-CD2 4.44Å; F9-L15 HydrophobicContact CZ-CD2 4.31Å; F9-N18 WeakPolarHBondContact CE1-ND2 3.39Å; F9-L21 HydrophobicContact CZ-CD2 4.18Å; F9-C33 HydrophobicContact CD2-CB 4.25Å; F9-C33 HydrophobicContact CE2-CB 3.75Å; F9-V34 PolarHBondContact N-O 3.06Å; F9-Y35 HydrophobicContact CB-CD2 4.02Å; F9-Y35 VanDerWaalsContact O-CD2 3.3Å; F9-Y35 WeakPolarHBondContact O-CD2 3.47Å; F9-L62 HydrophobicContact CD1-CD2 4.01Å; F9-L62 HydrophobicContact CD2-CD2 3.73Å; F9-L62 HydrophobicContact CE1-CD1 4.37Å; F9-L62 HydrophobicContact CE1-CD2 4.02Å; F9-L62 HydrophobicContact CE2-CD1 4.38Å; F9-L62 HydrophobicContact CE2-CD2 3.73Å; F9-L62 HydrophobicContact CE2-CG 4.4Å; F9-L62 HydrophobicContact CG-CD2 3.86Å; F9-L62 HydrophobicContact CZ-CD1 3.98Å; F9-L62 HydrophobicContact CZ-CD2 3.89Å; F9-L62 HydrophobicContact CZ-CG 4.44Å; F9-L73 HydrophobicContact CD2-CD1 4.2Å
10R95.4Very high96.4Very high30 Ų3023.7 Ų23.711%0.11312%0.122CC..SBendtrans-136.3-68.5166.9-53.199.966.8113.7-7.8109.8W8 D101 R109 D110W8-R10 HydrophobicContact CD2-CG 4.13Å; W8-R10 VanDerWaalsContact CE2-CD 3.42Å; W8-R10 VanDerWaalsContact CE2-CG 3.45Å; W8-R10 HydrophobicContact CH2-CG 4.47Å; W8-R10 HydrophobicContact CZ2-CG 3.63Å; R10-D101 VanDerWaalsContact NH2-CB 3.31Å; R10-D101 IonicContact NH2-OD2 2.98Å; R10-R109 VanDerWaalsContact CZ-CZ 3.47Å; R10-D110 IonicContact CZ-OD1 2.66Å; R10-D110 IonicContact CZ-OD2 3.17Å; R10-D110 IonicContact NH1-OD1 2.67Å; R10-D110 PolarHBondContact NH1-OD1 2.97Å; R10-D110 IonicContact NH1-OD2 3.42Å; R10-D110 IonicContact NH2-OD1 3.77Å; R10-D110 PolarHBondContact NH2-OD1 2.81Å; R10-D110 IonicContact NH2-OD2 2.77Å; R10-D110 PolarHBondContact NH2-OD2 2.94Å
11K94.4Very high96.4Very high32 Ų3222.7 Ų22.714%0.13912%0.116CC..SBendtrans-88.6-157.5156.2-68.7164.9172.6173.20106.6L13 D101 E103 F257K11-L13 PolarHBondContact O-N 3.4Å; K11-D101 IonicContact NZ-OD1 3.41Å; K11-D101 PolarHBondContact NZ-OD1 3.24Å; K11-E103 IonicContact NZ-OE2 2.69Å; K11-E103 PolarHBondContact NZ-OE2 2.83Å; K11-F257 CarbonylContact C-O 3.52Å
12G97.6Very high97.6Very high3 Ų315.4 Ų15.43%0.0318%0.079CC..  trans53.635.9171.500000114.6F9 R14 E99 F257F9-G12 VanDerWaalsContact CD1-O 3.3Å; F9-G12 WeakPolarHBondContact CD1-O 3.47Å; F9-G12 VanDerWaalsContact CE1-O 3.29Å; F9-G12 WeakPolarHBondContact CE1-O 3.09Å; G12-R14 PolarHBondContact O-N 3.13Å; G12-E99 WeakPolarHBondContact CA-OE2 3.26Å; G12-E99 PolarHBondContact N-OE2 3.23Å; G12-E99 VanDerWaalsContact N-OE2 3.12Å; G12-F257 PolarHBondContact N-O 2.77Å
13L98.7Very high97.8Very high1 Ų112.8 Ų12.81%0.0056%0.062CC..  trans-73.162.6-176.1-57.4-177.5000111.6F9 K11 Y35 L55 L59 F257 G258F9-L13 HydrophobicContact CB-CD2 3.89Å; F9-L13 HydrophobicContact CD1-CD2 4.34Å; F9-L13 HydrophobicContact CG-CD2 4.44Å; K11-L13 PolarHBondContact O-N 3.4Å; L13-Y35 HydrophobicContact CD2-CD2 4.01Å; L13-Y35 HydrophobicContact CD2-CE2 4Å; L13-L55 HydrophobicContact CD1-CD1 3.8Å; L13-L59 HydrophobicContact CD1-CD2 4.24Å; L13-L59 HydrophobicContact CD2-CD2 4.04Å; L13-F257 HydrophobicContact CD1-CB 4.45Å; L13-F257 HydrophobicContact CD1-CD1 4.28Å; L13-F257 PolarHBondContact N-O 3.05Å; L13-G258 PolarHBondContact N-O 3.13Å
14R98.8Very high97.7Very high1 Ų111.1 Ų11.10%0.0045%0.054CC..  trans-155.5155.7-174.363.2177.5-172.6-78.3-9.8112.1G12 H16 D17 N18 E99 S129 E214 G258G12-R14 PolarHBondContact O-N 3.13Å; R14-H16 WeakPolarHBondContact CD-O 3.49Å; R14-H16 VanDerWaalsContact CG-O 3.29Å; R14-H16 WeakPolarHBondContact CG-O 3.38Å; R14-H16 PolarHBondContact NE-O 2.61Å; R14-H16 VanDerWaalsContact NE-O 3.08Å; R14-D17 PolarHBondContact NE-O 3.33Å; R14-D17 PolarHBondContact NH2-O 3.49Å; R14-N18 PolarHBondContact O-ND2 3.29Å; R14-N18 VanDerWaalsContact O-ND2 3.09Å; R14-E99 IonicContact CZ-OE1 3.19Å; R14-E99 IonicContact NH1-OE1 2.63Å; R14-E99 IonicContact NH2-OE1 2.92Å; R14-E99 PolarHBondContact NH2-OE1 3.04Å; R14-S129 PolarHBondContact NH2-O 3.07Å; R14-E214 VanDerWaalsContact CA-OE2 3.28Å; R14-E214 WeakPolarHBondContact CA-OE2 3.38Å; R14-E214 HydrophobicContact CB-CB 4.31Å; R14-E214 HydrophobicContact CB-CG 4.09Å; R14-G258 WeakPolarHBondContact CD-O 3.46Å; R14-G258 WeakPolarHBondContact CG-O 3.44Å; R14-G258 PolarHBondContact NH1-O 2.97Å
15L98.6Very high97.6Very high11 Ų1110.5 Ų10.56%0.0585%0.05CC..SBendtrans-98.2-26.3170.8-57.6-173.5000112.5F9 L21 L62 L66 L69 I170 E214F9-L15 HydrophobicContact CZ-CD2 4.31Å; L15-L21 HydrophobicContact CD2-CD2 3.91Å; L15-L62 HydrophobicContact CD2-CD1 3.75Å; L15-L62 HydrophobicContact CG-CD1 4.02Å; L15-L66 HydrophobicContact CD1-CD2 4.43Å; L15-L66 HydrophobicContact CD2-CD2 4.04Å; L15-L69 HydrophobicContact CD1-CD1 3.98Å; L15-I170 HydrophobicContact CB-CB 4.4Å; L15-I170 PolarHBondContact O-N 3.46Å; L15-E214 VanDerWaalsContact N-CD 3.34Å; L15-E214 PolarHBondContact N-OE1 3Å; L15-E214 PolarHBondContact N-OE2 3.13Å
16H98.6Very high97.4Very high8 Ų815.9 Ų15.94%0.0378%0.078CC..THydrogen-bonded Turntrans-71.6143.9169.977.4-92.1000111.4R14 N18 S169 E214 C259 S261 L264R14-H16 WeakPolarHBondContact CD-O 3.49Å; R14-H16 VanDerWaalsContact CG-O 3.29Å; R14-H16 WeakPolarHBondContact CG-O 3.38Å; R14-H16 PolarHBondContact NE-O 2.61Å; R14-H16 VanDerWaalsContact NE-O 3.08Å; H16-N18 VanDerWaalsContact C-N 3.28Å; H16-N18 PolarHBondContact O-N 3.05Å; H16-S169 WeakPolarHBondContact CA-OG 3.18Å; H16-S169 WeakPolarHBondContact CB-OG 3.4Å; H16-E214 WeakPolarHBondContact CB-OE1 3.4Å; H16-E214 IonicContact CE1-OE1 2.77Å; H16-E214 IonicContact CG-OE1 3.18Å; H16-E214 PolarHBondContact N-OE1 3.48Å; H16-E214 IonicContact ND1-OE1 3.73Å; H16-E214 PolarHBondContact ND1-OE1 3.33Å; H16-C259 PolarHBondContact CE1-O 3.03Å; H16-C259 VanDerWaalsContact CE1-O 3.25Å; H16-S261 WeakPolarHBondContact NE2-CB 3.12Å; H16-S261 PolarHBondContact NE2-N 2.98Å; H16-L264 VanDerWaalsContact CD2-CD2 3.44Å; H16-L264 WeakPolarHBondContact CD2-CD2 3.46Å
17D98.6Very high97.1Very high2 Ų218.7 Ų18.71%0.01111%0.107CC..THydrogen-bonded Turntrans48.648.9174.9-171.336.1000114R14 P19 P166 A167 S261 R263R14-D17 PolarHBondContact NE-O 3.33Å; R14-D17 PolarHBondContact NH2-O 3.49Å; D17-P19 VanDerWaalsContact O-CD 3.29Å; D17-P19 WeakPolarHBondContact O-CD 3.48Å; D17-P166 HydrophobicContact CB-CB 3.95Å; D17-P166 WeakPolarHBondContact OD1-CA 3.21Å; D17-A167 WeakPolarHBondContact CA-O 3.2Å; D17-A167 PolarHBondContact N-O 2.59Å; D17-A167 PolarHBondContact OD1-N 3.25Å; D17-S261 VanDerWaalsContact OD2-CB 3.26Å; D17-S261 WeakPolarHBondContact OD2-CB 3.12Å; D17-S261 PolarHBondContact OD2-OG 2.86Å; D17-R263 IonicContact OD1-CZ 2.68Å; D17-R263 VanDerWaalsContact OD1-CZ 3.24Å; D17-R263 IonicContact OD1-NE 3.69Å; D17-R263 PolarHBondContact OD1-NE 3.38Å; D17-R263 IonicContact OD1-NH2 3.59Å; D17-R263 PolarHBondContact OD1-NH2 3.37Å; D17-R263 IonicContact OD2-CZ 2.63Å; D17-R263 IonicContact OD2-NE 3.98Å; D17-R263 PolarHBondContact OD2-NE 2.82Å; D17-R263 IonicContact OD2-NH2 3.95Å; D17-R263 PolarHBondContact OD2-NH2 2.8Å
18N98.6Very high96.9Very high3 Ų319 Ų192%0.01611%0.11CC..  trans-115.580.8178.3-168.2-24.5000109.9H7 F9 R14 H16 S20 L21 K22H7-N18 PolarHBondContact CE1-OD1 3.31Å; H7-N18 PolarHBondContact NE2-ND2 3.09Å; H7-N18 VanDerWaalsContact NE2-ND2 3.19Å; F9-N18 WeakPolarHBondContact CE1-ND2 3.39Å; R14-N18 PolarHBondContact O-ND2 3.29Å; R14-N18 VanDerWaalsContact O-ND2 3.09Å; H16-N18 VanDerWaalsContact C-N 3.28Å; H16-N18 PolarHBondContact O-N 3.05Å; N18-S20 VanDerWaalsContact C-N 3.34Å; N18-S20 PolarHBondContact O-N 3.35Å; N18-L21 HydrophobicContact CB-CB 4.07Å; N18-L21 VanDerWaalsContact CG-CB 3.4Å; N18-L21 PolarHBondContact O-N 2.92Å; N18-L21 VanDerWaalsContact OD1-CB 3.3Å; N18-L21 WeakPolarHBondContact OD1-CB 3.17Å; N18-L21 PolarHBondContact OD1-N 3.09Å; N18-K22 WeakPolarHBondContact O-CB 3.13Å; N18-K22 PolarHBondContact O-N 2.94Å
19P98.3Very high96.9Very high14 Ų1422.2 Ų22.29%0.09113%0.128CC..Hα-helixtrans-65-34.9-17626.1-35.4000112.9D17 K22 D23 R127 A167 R263D17-P19 VanDerWaalsContact O-CD 3.29Å; D17-P19 WeakPolarHBondContact O-CD 3.48Å; P19-K22 PolarHBondContact O-N 3.03Å; P19-D23 WeakPolarHBondContact O-CB 3.43Å; P19-D23 VanDerWaalsContact O-CG 3.24Å; P19-D23 PolarHBondContact O-N 2.85Å; P19-R127 HydrophobicContact CB-CB 4.02Å; P19-R127 HydrophobicContact CB-CG 4.1Å; P19-R127 HydrophobicContact CG-CB 3.74Å; P19-R127 HydrophobicContact CG-CG 4.39Å; P19-A167 HydrophobicContact CB-CB 4.18Å; P19-R263 VanDerWaalsContact CD-NH2 3.31Å
20S97.6Very high96.8Very high0 Ų022.7 Ų22.70%013%0.131CC..Hα-helixtrans-62.8-43.4176-66.50000112N18 S24 S97 Y98 R127N18-S20 VanDerWaalsContact C-N 3.34Å; N18-S20 PolarHBondContact O-N 3.35Å; S20-S24 VanDerWaalsContact O-CB 3.28Å; S20-S24 WeakPolarHBondContact O-CB 3.09Å; S20-S24 PolarHBondContact O-N 2.89Å; S20-S24 PolarHBondContact O-OG 3.21Å; S20-S97 WeakPolarHBondContact O-CB 3.37Å; S20-S97 PolarHBondContact O-OG 2.91Å; S20-Y98 WeakPolarHBondContact CB-O 3.44Å; S20-Y98 VanDerWaalsContact OG-C 3.27Å; S20-Y98 PolarHBondContact OG-O 2.7Å; S20-R127 VanDerWaalsContact OG-CB 3.28Å; S20-R127 WeakPolarHBondContact OG-CB 3.38Å; S20-R127 PolarHBondContact OG-N 2.73Å
21L97.9Very high97Very high2 Ų221.3 Ų21.31%0.0113%0.126CC..Hα-helixtrans-65.6-51.6175.3177.851.8000110.4H7 F9 L15 N18 D23 S24 L25 V31 I170H7-L21 HydrophobicContact CB-CD1 3.64Å; F9-L21 HydrophobicContact CZ-CD2 4.18Å; L15-L21 HydrophobicContact CD2-CD2 3.91Å; N18-L21 HydrophobicContact CB-CB 4.07Å; N18-L21 VanDerWaalsContact CG-CB 3.4Å; N18-L21 PolarHBondContact O-N 2.92Å; N18-L21 VanDerWaalsContact OD1-CB 3.3Å; N18-L21 WeakPolarHBondContact OD1-CB 3.17Å; N18-L21 PolarHBondContact OD1-N 3.09Å; L21-D23 PolarHBondContact O-N 3.34Å; L21-S24 PolarHBondContact O-N 3.2Å; L21-S24 PolarHBondContact O-OG 2.76Å; L21-L25 HydrophobicContact CD1-CD1 4.44Å; L21-L25 HydrophobicContact CD1-CD2 4.49Å; L21-L25 HydrophobicContact CD1-CG 4.34Å; L21-L25 HydrophobicContact CG-CD1 4.49Å; L21-L25 WeakPolarHBondContact O-CG 3.46Å; L21-L25 PolarHBondContact O-N 3.48Å; L21-V31 HydrophobicContact CD1-CG2 4.46Å; L21-I170 HydrophobicContact CD2-CD1 4.46Å; L21-I170 HydrophobicContact CD2-CG1 3.71Å; L21-I170 HydrophobicContact CG-CD1 4.13Å; L21-I170 HydrophobicContact CG-CG1 3.92Å
22K97.4Very high97.2Very high55 Ų5521.1 Ų21.124%0.23913%0.125CC..Hα-helixtrans-51.6-52.8179.6176.8-178.9166.3167.90112.2N18 P19 S24 L25 A167 E168 I170N18-K22 WeakPolarHBondContact O-CB 3.13Å; N18-K22 PolarHBondContact O-N 2.94Å; P19-K22 PolarHBondContact O-N 3.03Å; K22-S24 PolarHBondContact O-N 3.43Å; K22-L25 PolarHBondContact O-N 3.47Å; K22-A167 HydrophobicContact CD-CB 4.4Å; K22-E168 HydrophobicContact CD-CG 3.97Å; K22-E168 WeakPolarHBondContact CE-OE1 3.46Å; K22-E168 IonicContact NZ-OE1 3.03Å; K22-E168 PolarHBondContact NZ-OE1 3.2Å; K22-I170 HydrophobicContact CB-CD1 3.81Å
23D96.2Very high97.2Very high36 Ų3621.1 Ų21.119%0.19312%0.124CC..Hα-helixtrans-64.1-33.9-178.1-71.4-10.7000112.1P19 L21 L25 L26 T125 R127P19-D23 WeakPolarHBondContact O-CB 3.43Å; P19-D23 VanDerWaalsContact O-CG 3.24Å; P19-D23 PolarHBondContact O-N 2.85Å; L21-D23 PolarHBondContact O-N 3.34Å; D23-L25 PolarHBondContact O-N 2.82Å; D23-L26 WeakPolarHBondContact O-CB 3.28Å; D23-L26 PolarHBondContact O-N 2.87Å; D23-T125 HydrophobicContact CB-CG2 4.2Å; D23-R127 IonicContact OD1-NH2 3.41Å; D23-R127 IonicContact OD2-CZ 3.37Å; D23-R127 IonicContact OD2-NE 2.85Å; D23-R127 PolarHBondContact OD2-NE 3.3Å; D23-R127 IonicContact OD2-NH2 3.24Å; D23-R127 PolarHBondContact OD2-NH2 3.21Å
24S94.5Very high97.2Very high2 Ų221 Ų211%0.01412%0.123CC..Hα-helixtrans-72-19.3-178.8760000113.9T5 S20 L21 K22 A28 S97T5-S24 PolarHBondContact OG1-O 3.28Å; S20-S24 VanDerWaalsContact O-CB 3.28Å; S20-S24 WeakPolarHBondContact O-CB 3.09Å; S20-S24 PolarHBondContact O-N 2.89Å; S20-S24 PolarHBondContact O-OG 3.21Å; L21-S24 PolarHBondContact O-N 3.2Å; L21-S24 PolarHBondContact O-OG 2.76Å; K22-S24 PolarHBondContact O-N 3.43Å; S24-A28 WeakPolarHBondContact O-CB 3.49Å; S24-S97 VanDerWaalsContact CB-CB 3.45Å; S24-S97 WeakPolarHBondContact CB-OG 3.3Å; S24-S97 PolarHBondContact OG-OG 3.49Å
25L95.4Very high97.2Very high10 Ų1022.4 Ų22.45%0.05213%0.129CC..Hα-helixtrans-77.7-20.9173.9-64.8171.4000112.4L21 K22 D23 G27 A28 V31 I170 V174 M175 C178L21-L25 HydrophobicContact CD1-CD1 4.44Å; L21-L25 HydrophobicContact CD1-CD2 4.49Å; L21-L25 HydrophobicContact CD1-CG 4.34Å; L21-L25 HydrophobicContact CG-CD1 4.49Å; L21-L25 WeakPolarHBondContact O-CG 3.46Å; L21-L25 PolarHBondContact O-N 3.48Å; K22-L25 PolarHBondContact O-N 3.47Å; D23-L25 PolarHBondContact O-N 2.82Å; L25-G27 PolarHBondContact O-N 3.4Å; L25-A28 PolarHBondContact O-N 3.46Å; L25-A28 VanDerWaalsContact O-N 3.08Å; L25-V31 HydrophobicContact CD2-CB 3.82Å; L25-V31 HydrophobicContact CD2-CG1 3.72Å; L25-V31 HydrophobicContact CD2-CG2 3.88Å; L25-I170 HydrophobicContact CD1-CD1 4.09Å; L25-I170 HydrophobicContact CD1-CG2 3.88Å; L25-V174 HydrophobicContact CD1-CG1 4.03Å; L25-M175 HydrophobicContact CD1-SD 3.75Å; L25-M175 HydrophobicContact CD2-SD 3.77Å; L25-M175 HydrophobicContact CG-SD 4.43Å; L25-C178 HydrophobicContact CD2-CB 4.42Å
26L93.4Very high97.1Very high113 Ų11322.7 Ų22.759%0.59213%0.13SC*.THydrogen-bonded Turntrans-64109.6-177.1-65.4175.5000111.3D23 A28 R95D23-L26 WeakPolarHBondContact O-CB 3.28Å; D23-L26 PolarHBondContact O-N 2.87Å; L26-A28 PolarHBondContact O-N 3.28Å; L26-R95 PolarHBondContact O-NH1 3.04Å
27G92.4Very high96.8Very high59 Ų5922.4 Ų22.461%0.60813%0.129SC*.THydrogen-bonded Turntrans7016.7-178.300000114.3I3 L25I3-G27 WeakPolarHBondContact CD1-O 3.4Å; L25-G27 PolarHBondContact O-N 3.4Å
28A96.1Very high95.9Very high8 Ų823.4 Ų23.47%0.06613%0.134CC..  trans-82.9136.2173.300000111.2I3 T5 S24 L25 L26 C178I3-A28 HydrophobicContact CG2-CB 4.18Å; T5-A28 WeakPolarHBondContact OG1-CB 3.44Å; S24-A28 WeakPolarHBondContact O-CB 3.49Å; L25-A28 PolarHBondContact O-N 3.46Å; L25-A28 VanDerWaalsContact O-N 3.08Å; L26-A28 PolarHBondContact O-N 3.28Å; A28-C178 WeakPolarHBondContact O-CB 3.37Å; A28-C178 PolarHBondContact O-SG 3.4Å
29D97.1Very high94.1Very high73 Ų7325.6 Ų25.639%0.3915%0.148SC..SBendtrans-82.7-39.1172.9-62.7-68.7000110.6V2 I3 T179V2-D29 VanDerWaalsContact CA-OD2 3.28Å; V2-D29 WeakPolarHBondContact CA-OD2 3.44Å; V2-D29 HydrophobicContact CG1-CB 3.87Å; I3-D29 PolarHBondContact N-OD2 3.09Å; I3-D29 PolarHBondContact O-N 2.89Å; D29-T179 PolarHBondContact O-N 3.35Å; D29-T179 PolarHBondContact O-OG1 3.12Å
30T97.9Very high92.3Very high14 Ų1434 Ų349%0.08618%0.179CC..EExtended strand (participates in β ladder)trans-131.8147.9174.9760000113.7I3 N4 T5 T179 P181I3-T30 PolarHBondContact O-N 3.26Å; I3-T30 VanDerWaalsContact O-N 3.08Å; N4-T30 WeakPolarHBondContact CA-OG1 3.44Å; N4-T30 PolarHBondContact OD1-OG1 3.22Å; T5-T30 WeakPolarHBondContact CB-O 3.46Å; T5-T30 PolarHBondContact N-O 3.08Å; T30-T179 CarbonylContact C-O 3.58Å; T30-T179 WeakPolarHBondContact CA-O 3.07Å; T30-T179 WeakPolarHBondContact CB-O 3.05Å; T30-P181 HydrophobicContact CG2-CG 3.9Å
31V98Very high90.3Very high1 Ų139.3 Ų39.31%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-132.1135.9173.665.50000110.8T5 L21 L25 M175 C178 T179 T180T5-V31 HydrophobicContact CG2-CG2 4.44Å; T5-V31 CarbonylContact O-C 3.51Å; T5-V31 WeakPolarHBondContact O-CA 3.47Å; L21-V31 HydrophobicContact CD1-CG2 4.46Å; L25-V31 HydrophobicContact CD2-CB 3.82Å; L25-V31 HydrophobicContact CD2-CG1 3.72Å; L25-V31 HydrophobicContact CD2-CG2 3.88Å; V31-M175 HydrophobicContact CG1-CE 3.64Å; V31-M175 HydrophobicContact CG1-SD 4.4Å; V31-C178 PolarHBondContact N-SG 2.97Å; V31-T179 PolarHBondContact N-O 3.05Å; V31-T180 WeakPolarHBondContact O-CB 3.49Å; V31-T180 WeakPolarHBondContact O-CG2 3.47Å; V31-T180 PolarHBondContact O-OG1 3.22Å
32R98.5Very high88.1Confident28 Ų2839.6 Ų39.611%0.10621%0.205CC..EExtended strand (participates in β ladder)trans-121.2120.9167.1-69.8-177.5-178.981.9-6109.8T5 I6 H7 V34 F74 W91 T180T5-R32 PolarHBondContact O-N 3.48Å; I6-R32 WeakPolarHBondContact CA-O 3.33Å; H7-R32 PolarHBondContact N-O 3.28Å; R32-V34 HydrophobicContact CB-CG2 4.44Å; R32-F74 HydrophobicContact CB-CD2 4.11Å; R32-F74 HydrophobicContact CB-CE2 4.11Å; R32-F74 HydrophobicContact CG-CD2 4.31Å; R32-F74 HydrophobicContact CG-CE2 3.84Å; R32-F74 HydrophobicContact CG-CZ 3.99Å; R32-W91 HydrophobicContact CB-CZ3 4.28Å; R32-W91 VanDerWaalsContact CD-CE3 3.44Å; R32-T180 HydrophobicContact CG-CG2 4.5Å
33C98.6Very high85.4Confident2 Ų240.3 Ų40.31%0.01423%0.227CC..EExtended strand (participates in β ladder)trans-85.2116.2172.7-74.80000108.7H7 F9 L66 L73 F74H7-C33 CarbonylContact O-C 3.59Å; H7-C33 WeakPolarHBondContact O-CA 3.27Å; F9-C33 HydrophobicContact CD2-CB 4.25Å; F9-C33 HydrophobicContact CE2-CB 3.75Å; C33-L66 HydrophobicContact CB-CD1 3.62Å; C33-L66 HydrophobicContact CB-CD2 4.39Å; C33-L73 HydrophobicContact CB-CD1 4.45Å; C33-F74 PolarHBondContact O-N 2.68Å
34V98.8Very high82.9Confident0 Ų043 Ų430%025%0.249CC..EExtended strand (participates in β ladder)trans-116.5137.2-172.7173.80000110.4I6 H7 W8 F9 R32 I36 F74 I76 W91I6-V34 HydrophobicContact CG2-CB 4.04Å; I6-V34 HydrophobicContact CG2-CG2 3.81Å; H7-V34 PolarHBondContact O-N 3.27Å; W8-V34 WeakPolarHBondContact CA-O 3.36Å; F9-V34 PolarHBondContact N-O 3.06Å; R32-V34 HydrophobicContact CB-CG2 4.44Å; V34-I36 HydrophobicContact CG1-CG1 3.86Å; V34-F74 WeakPolarHBondContact CA-O 3.4Å; V34-F74 HydrophobicContact CG2-CB 4.02Å; V34-I76 HydrophobicContact CG1-CD1 3.52Å; V34-I76 HydrophobicContact CG1-CG1 4.1Å; V34-I76 HydrophobicContact CG2-CD1 4.17Å; V34-W91 HydrophobicContact CG2-CH2 4.27Å; V34-W91 HydrophobicContact CG2-CZ3 3.84Å
35Y98.6Very high81Confident30 Ų3044.5 Ų44.512%0.11826%0.26CS..EExtended strand (participates in β ladder)trans-116.9129.2160.5-171.4-86.1000108.6F9 L13 L37 L55 L59 F74 V75 I76F9-Y35 HydrophobicContact CB-CD2 4.02Å; F9-Y35 VanDerWaalsContact O-CD2 3.3Å; F9-Y35 WeakPolarHBondContact O-CD2 3.47Å; L13-Y35 HydrophobicContact CD2-CD2 4.01Å; L13-Y35 HydrophobicContact CD2-CE2 4Å; Y35-L37 HydrophobicContact CD1-CB 4.22Å; Y35-L37 HydrophobicContact CD1-CD1 4.2Å; Y35-L37 HydrophobicContact CE1-CB 4.24Å; Y35-L37 HydrophobicContact CE1-CD1 3.62Å; Y35-L55 HydrophobicContact CE1-CD2 4.48Å; Y35-L55 HydrophobicContact CE2-CD1 4.19Å; Y35-L55 WeakPolarHBondContact OH-CD1 3.48Å; Y35-L59 HydrophobicContact CD1-CD1 3.78Å; Y35-L59 HydrophobicContact CD1-CD2 4.25Å; Y35-L59 HydrophobicContact CD2-CD2 3.53Å; Y35-L59 HydrophobicContact CE1-CD1 4.05Å; Y35-L59 HydrophobicContact CE2-CD2 3.96Å; Y35-L59 HydrophobicContact CG-CD1 4.05Å; Y35-L59 HydrophobicContact CG-CD2 3.69Å; Y35-F74 PolarHBondContact N-O 2.74Å; Y35-V75 CarbonylContact O-C 3.42Å; Y35-V75 WeakPolarHBondContact O-CA 3.46Å; Y35-I76 PolarHBondContact O-N 3.17Å
36I96.8Very high79.6Confident16 Ų1648.7 Ų48.78%0.08228%0.282CS..EExtended strand (participates in β ladder)trans-98.5107.3177.3-57.8179.7000107.7V34 I76 G78 P80 V83 F84V34-I36 HydrophobicContact CG1-CG1 3.86Å; I36-I76 CarbonylContact C-O 3.49Å; I36-I76 WeakPolarHBondContact CA-O 3.47Å; I36-G78 WeakPolarHBondContact CG2-O 3.07Å; I36-P80 HydrophobicContact CD1-CB 4.13Å; I36-P80 HydrophobicContact CD1-CG 4.32Å; I36-P80 HydrophobicContact CG2-CG 4.17Å; I36-V83 HydrophobicContact CD1-CB 4.17Å; I36-V83 HydrophobicContact CD1-CG1 3.83Å; I36-V83 HydrophobicContact CG1-CG1 4.3Å; I36-V83 HydrophobicContact CG2-CG2 4.37Å; I36-F84 HydrophobicContact CD1-CD2 4.04Å; I36-F84 HydrophobicContact CD1-CE1 4.35Å; I36-F84 HydrophobicContact CD1-CE2 3.51Å; I36-F84 HydrophobicContact CD1-CZ 3.68Å
37L92.4Very high79.2Confident2 Ų244.2 Ų44.21%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-92.4116.1178.1-163.876.6000108.2Y35 P39 W52 L55 V75 I76 R77 G78 P193 L198Y35-L37 HydrophobicContact CD1-CB 4.22Å; Y35-L37 HydrophobicContact CD1-CD1 4.2Å; Y35-L37 HydrophobicContact CE1-CB 4.24Å; Y35-L37 HydrophobicContact CE1-CD1 3.62Å; L37-P39 WeakPolarHBondContact O-CD 3.44Å; L37-W52 HydrophobicContact CD1-CZ3 3.77Å; L37-W52 HydrophobicContact CG-CZ3 4.46Å; L37-L55 HydrophobicContact CD1-CD2 4.15Å; L37-V75 HydrophobicContact CB-CG1 3.92Å; L37-V75 HydrophobicContact CD2-CG1 4.35Å; L37-I76 PolarHBondContact N-O 3.1Å; L37-R77 CarbonylContact O-C 3.57Å; L37-R77 VanDerWaalsContact O-CA 3.25Å; L37-R77 WeakPolarHBondContact O-CA 3.33Å; L37-G78 PolarHBondContact O-N 2.51Å; L37-P193 HydrophobicContact CD2-CG 3.47Å; L37-P193 VanDerWaalsContact CD2-CG 3.47Å; L37-L198 HydrophobicContact CD2-CD2 4.02Å
38D80.4Confident79Confident23 Ų2342 Ų4212%0.12324%0.236CC..  trans-85.3107.1172.3178.117.4000109.6W40 F41 Q79D38-W40 PolarHBondContact O-N 3.34Å; D38-W40 WeakPolarHBondContact OD1-CB 3.49Å; D38-W40 PolarHBondContact OD1-N 3.21Å; D38-W40 VanDerWaalsContact OD1-N 3.13Å; D38-F41 HydrophobicContact CB-CB 4.2Å; D38-F41 WeakPolarHBondContact O-CB 3.15Å; D38-F41 PolarHBondContact O-N 2.79Å; D38-F41 VanDerWaalsContact O-N 3.15Å; D38-Q79 PolarHBondContact OD1-NE2 3.33Å; D38-Q79 PolarHBondContact OD2-NE2 3.44Å
39P60.6Low78.9Confident49 Ų4943.8 Ų43.832%0.31824%0.244SC..Hα-helixtrans-69.1-23.4-178.230.2-35.7000112.3L37 F41 A42 R77L37-P39 WeakPolarHBondContact O-CD 3.44Å; P39-F41 PolarHBondContact O-N 3.35Å; P39-A42 PolarHBondContact O-N 3.43Å; P39-R77 HydrophobicContact CG-CB 4.41Å
40W60.4Low78.8Confident192 Ų19240.9 Ų40.973%0.72723%0.229SC*.Hα-helixtrans-67.5-25.5175.5-61.2100.5000111.5D38 S44D38-W40 PolarHBondContact O-N 3.34Å; D38-W40 WeakPolarHBondContact OD1-CB 3.49Å; D38-W40 PolarHBondContact OD1-N 3.21Å; D38-W40 VanDerWaalsContact OD1-N 3.13Å; W40-S44 WeakPolarHBondContact O-CB 3.46Å; W40-S44 PolarHBondContact O-N 2.82Å; W40-S44 VanDerWaalsContact O-N 3.1Å; W40-S44 PolarHBondContact O-OG 2.83Å
41F54.9Low78.6Confident110 Ų11041.6 Ų41.648%0.48223%0.23SC..Hα-helixtrans-66.3-37.3169.5-122.5-95.2000111.5D38 P39 G43 S45 V47 W52D38-F41 HydrophobicContact CB-CB 4.2Å; D38-F41 WeakPolarHBondContact O-CB 3.15Å; D38-F41 PolarHBondContact O-N 2.79Å; D38-F41 VanDerWaalsContact O-N 3.15Å; P39-F41 PolarHBondContact O-N 3.35Å; F41-G43 PolarHBondContact O-N 3.3Å; F41-S45 WeakPolarHBondContact CD1-OG 3.35Å; F41-S45 WeakPolarHBondContact O-CB 3.25Å; F41-S45 PolarHBondContact O-N 2.95Å; F41-S45 PolarHBondContact O-OG 3.35Å; F41-V47 HydrophobicContact CD1-CG2 4.5Å; F41-V47 HydrophobicContact CE1-CG2 4.49Å; F41-W52 HydrophobicContact CB-CH2 4.28Å; F41-W52 HydrophobicContact CB-CZ2 4.18Å
42A52.2Low78.5Confident9 Ų942.2 Ų42.27%0.07423%0.232CC..Hα-helixtrans-68.1-38.5-177.500000113.6P39 W52 L198 F200P39-A42 PolarHBondContact O-N 3.43Å; A42-W52 HydrophobicContact CB-CD2 4.43Å; A42-W52 HydrophobicContact CB-CH2 3.87Å; A42-W52 HydrophobicContact CB-CZ2 3.64Å; A42-W52 HydrophobicContact CB-CZ3 4.36Å; A42-L198 HydrophobicContact CB-CB 4.32Å; A42-L198 HydrophobicContact CB-CD1 4.45Å; A42-F200 HydrophobicContact CB-CE2 4.29Å; A42-F200 HydrophobicContact CB-CZ 4.5Å
43G40.6Very low78.4Confident69 Ų6942.1 Ų42.171%0.71123%0.232SC*.Hα-helixtrans-94.1-17.2-178.700000116.1F41F41-G43 PolarHBondContact O-N 3.3Å
44S42.4Very low78.4Confident94 Ų9442.1 Ų42.166%0.65723%0.232SC*.Hα-helixtrans-123.5-4.1-171.4-29.90000114.6W40W40-S44 WeakPolarHBondContact O-CB 3.46Å; W40-S44 PolarHBondContact O-N 2.82Å; W40-S44 VanDerWaalsContact O-N 3.1Å; W40-S44 PolarHBondContact O-OG 2.83Å
45S54.9Low78.3Confident33 Ų3342.7 Ų42.723%0.23124%0.235CC..SBendtrans-99.9151.6179.978.30000112.2F41 V47F41-S45 WeakPolarHBondContact CD1-OG 3.35Å; F41-S45 WeakPolarHBondContact O-CB 3.25Å; F41-S45 PolarHBondContact O-N 2.95Å; F41-S45 PolarHBondContact O-OG 3.35Å; S45-V47 PolarHBondContact O-N 3Å; S45-V47 WeakPolarHBondContact OG-CB 3.41Å; S45-V47 VanDerWaalsContact OG-CG2 3.23Å; S45-V47 WeakPolarHBondContact OG-CG2 3.39Å
46N67Low78.3Confident98 Ų9841.5 Ų41.552%0.52423%0.23SC..SBendtrans-69.451.9169.8-70.7-14000111E383N46-E383 WeakPolarHBondContact O-CA 3.34Å; N46-E383 VanDerWaalsContact O-CB 3.29Å; N46-E383 WeakPolarHBondContact O-CB 3.33Å; N46-E383 PolarHBondContact O-N 3.43Å
47V84.1Confident78.4Confident19 Ų1943.3 Ų43.312%0.11524%0.238CC..  trans-118.4115.2179.1-179.80000109.3F41 S45 R51 W52F41-V47 HydrophobicContact CD1-CG2 4.5Å; F41-V47 HydrophobicContact CE1-CG2 4.49Å; S45-V47 PolarHBondContact O-N 3Å; S45-V47 WeakPolarHBondContact OG-CB 3.41Å; S45-V47 VanDerWaalsContact OG-CG2 3.23Å; S45-V47 WeakPolarHBondContact OG-CG2 3.39Å; V47-R51 HydrophobicContact CG1-CB 3.64Å; V47-R51 HydrophobicContact CG1-CG 4.45Å; V47-W52 HydrophobicContact CG1-CG 4.45Å; V47-W52 PolarHBondContact O-NE1 3.47Å
48G88.9Confident78.7Confident12 Ų1243.2 Ų43.212%0.12424%0.238CC..  trans-71.6157.5-177.800000113.5N50 R51 W52 E383G48-N50 PolarHBondContact O-N 2.88Å; G48-N50 VanDerWaalsContact O-N 3.1Å; G48-R51 PolarHBondContact O-N 3.13Å; G48-W52 PolarHBondContact O-N 3.35Å; G48-E383 WeakPolarHBondContact CA-O 3.11Å; G48-E383 PolarHBondContact N-O 2.86Å
49I93Very high79.5Confident45 Ų4542.1 Ų42.123%0.23123%0.232CC..Hα-helixtrans-53.3-33.9-177.1-167.6170.3000113.7R51 W52 R53 L195 F200 L205I49-R51 PolarHBondContact O-N 2.65Å; I49-W52 PolarHBondContact O-N 3.34Å; I49-R53 VanDerWaalsContact O-CB 3.3Å; I49-R53 WeakPolarHBondContact O-CB 3.47Å; I49-R53 PolarHBondContact O-N 2.99Å; I49-L195 HydrophobicContact CD1-CD1 4.49Å; I49-L195 HydrophobicContact CG1-CD1 4.31Å; I49-L195 HydrophobicContact CG1-CD2 4.32Å; I49-F200 HydrophobicContact CB-CD1 4.27Å; I49-F200 HydrophobicContact CD1-CB 4.04Å; I49-F200 HydrophobicContact CD1-CD1 4.38Å; I49-F200 HydrophobicContact CD1-CG 4.39Å; I49-F200 HydrophobicContact CG1-CB 4.41Å; I49-F200 HydrophobicContact CG1-CD1 4.17Å; I49-F200 HydrophobicContact CG1-CG 4.27Å; I49-L205 HydrophobicContact CD1-CD1 4.29Å; I49-L205 HydrophobicContact CD1-CD2 3.9Å; I49-L205 HydrophobicContact CG1-CD2 4.44Å; I49-L205 HydrophobicContact CG2-CD1 4.48Å
50N95.5Very high81.4Confident13 Ų1344.3 Ų44.37%0.0724%0.238CC..Hα-helixtrans-62.8-40.3178.7-82-33000112.6G48 R53 F54 R348 Q349 L386G48-N50 PolarHBondContact O-N 2.88Å; G48-N50 VanDerWaalsContact O-N 3.1Å; N50-R53 PolarHBondContact OD1-NH2 2.89Å; N50-F54 WeakPolarHBondContact O-CB 3.46Å; N50-F54 PolarHBondContact O-N 3.49Å; N50-R348 PolarHBondContact ND2-O 3.02Å; N50-Q349 PolarHBondContact ND2-O 3.12Å; N50-L386 HydrophobicContact CB-CD2 4.29Å; N50-L386 WeakPolarHBondContact O-CD2 3.11Å
51R94.9Very high83.2Confident29 Ų2936.4 Ų36.411%0.10921%0.21CC..Hα-helixtrans-68.8-41.2177.1-76.2-173.556.6-164.6-15.1111.5V47 G48 I49 F54 L55 R256 E382 L386V47-R51 HydrophobicContact CG1-CB 3.64Å; V47-R51 HydrophobicContact CG1-CG 4.45Å; G48-R51 PolarHBondContact O-N 3.13Å; I49-R51 PolarHBondContact O-N 2.65Å; R51-F54 PolarHBondContact O-N 2.86Å; R51-L55 WeakPolarHBondContact O-CB 3.33Å; R51-L55 PolarHBondContact O-N 2.88Å; R51-R256 VanDerWaalsContact CZ-NH2 3.25Å; R51-E382 WeakPolarHBondContact CD-O 3.35Å; R51-E382 PolarHBondContact NH1-O 2.95Å; R51-L386 HydrophobicContact CB-CD2 4.49Å; R51-L386 HydrophobicContact CG-CD2 4.02Å
52W94.6Very high85.3Confident13 Ų1331.2 Ų31.25%0.04919%0.188CC..Hα-helixtrans-62.2-48.5174.5-79.5109.2000111.7L37 F41 A42 V47 G48 I49 F54 L55 L56 L195 L198 F200L37-W52 HydrophobicContact CD1-CZ3 3.77Å; L37-W52 HydrophobicContact CG-CZ3 4.46Å; F41-W52 HydrophobicContact CB-CH2 4.28Å; F41-W52 HydrophobicContact CB-CZ2 4.18Å; A42-W52 HydrophobicContact CB-CD2 4.43Å; A42-W52 HydrophobicContact CB-CH2 3.87Å; A42-W52 HydrophobicContact CB-CZ2 3.64Å; A42-W52 HydrophobicContact CB-CZ3 4.36Å; V47-W52 HydrophobicContact CG1-CG 4.45Å; V47-W52 PolarHBondContact O-NE1 3.47Å; G48-W52 PolarHBondContact O-N 3.35Å; I49-W52 PolarHBondContact O-N 3.34Å; W52-F54 VanDerWaalsContact C-N 3.35Å; W52-F54 PolarHBondContact O-N 3.08Å; W52-L55 HydrophobicContact CE3-CD2 4.1Å; W52-L55 HydrophobicContact CZ3-CD2 3.93Å; W52-L55 WeakPolarHBondContact O-CB 3.36Å; W52-L55 PolarHBondContact O-N 2.84Å; W52-L55 VanDerWaalsContact O-N 3.16Å; W52-L56 WeakPolarHBondContact O-CG 3.45Å; W52-L56 PolarHBondContact O-N 3.08Å; W52-L195 HydrophobicContact CB-CD2 3.97Å; W52-L198 HydrophobicContact CE3-CD1 3.87Å; W52-L198 HydrophobicContact CZ3-CD1 4.22Å; W52-F200 HydrophobicContact CB-CE2 4.02Å; W52-F200 HydrophobicContact CB-CZ 4.29Å; W52-F200 AromaticContact CD1-CE2 3.71Å; W52-F200 AromaticContact CD1-CZ 3.21Å; W52-F200 HydrophobicContact CD2-CE2 4.2Å; W52-F200 HydrophobicContact CD2-CZ 4.35Å; W52-F200 AromaticContact CG-CE2 3.7Å; W52-F200 HydrophobicContact CG-CE2 3.7Å; W52-F200 AromaticContact CG-CZ 3.71Å; W52-F200 HydrophobicContact CG-CZ 3.71Å; W52-F200 AromaticContact NE1-CZ 3.61Å
53R96.5Very high87.5Confident26 Ų2631.4 Ų31.410%0.09819%0.187CC..Hα-helixtrans-57.4-46.4176.4-177.1167.258.8170.3-1.5112.2I49 N50 L55 L56 Q57 L195 S206I49-R53 VanDerWaalsContact O-CB 3.3Å; I49-R53 WeakPolarHBondContact O-CB 3.47Å; I49-R53 PolarHBondContact O-N 2.99Å; N50-R53 PolarHBondContact OD1-NH2 2.89Å; R53-L55 VanDerWaalsContact C-N 3.33Å; R53-L55 PolarHBondContact O-N 3.41Å; R53-L56 PolarHBondContact O-N 3.38Å; R53-Q57 WeakPolarHBondContact O-CB 3.42Å; R53-Q57 VanDerWaalsContact O-CG 3.27Å; R53-Q57 WeakPolarHBondContact O-CG 3.31Å; R53-Q57 PolarHBondContact O-N 3.2Å; R53-L195 HydrophobicContact CB-CD1 4.01Å; R53-L195 HydrophobicContact CB-CD2 4.4Å; R53-L195 HydrophobicContact CG-CD1 4.18Å; R53-S206 PolarHBondContact NH1-O 3.4Å
54F98.4Very high90.2Very high2 Ų230.8 Ų30.81%0.00917%0.172CC..Hα-helixtrans-62.1-41.2177.5-169.6-78.9000111.8N50 R51 W52 S58 W210 P253 Y254 F257 L386N50-F54 WeakPolarHBondContact O-CB 3.46Å; N50-F54 PolarHBondContact O-N 3.49Å; R51-F54 PolarHBondContact O-N 2.86Å; W52-F54 VanDerWaalsContact C-N 3.35Å; W52-F54 PolarHBondContact O-N 3.08Å; F54-S58 WeakPolarHBondContact O-CB 3.48Å; F54-S58 PolarHBondContact O-N 2.95Å; F54-S58 PolarHBondContact O-OG 3.45Å; F54-W210 HydrophobicContact CD2-CB 4.24Å; F54-W210 WeakPolarHBondContact CD2-O 3.47Å; F54-W210 HydrophobicContact CE2-CB 4.25Å; F54-P253 HydrophobicContact CD2-CB 4.45Å; F54-P253 HydrophobicContact CE1-CB 4.48Å; F54-P253 HydrophobicContact CE2-CB 3.72Å; F54-P253 HydrophobicContact CZ-CB 3.73Å; F54-Y254 HydrophobicContact CE2-CD1 4.38Å; F54-Y254 AromaticContact CE2-CE1 3.95Å; F54-Y254 HydrophobicContact CE2-CE1 3.95Å; F54-Y254 AromaticContact CZ-CD1 3.71Å; F54-Y254 HydrophobicContact CZ-CD1 3.71Å; F54-Y254 AromaticContact CZ-CE1 3.71Å; F54-Y254 HydrophobicContact CZ-CE1 3.71Å; F54-Y254 HydrophobicContact CZ-CG 4.28Å; F54-F257 HydrophobicContact CB-CE2 4.45Å; F54-F257 HydrophobicContact CB-CZ 4.38Å; F54-F257 HydrophobicContact CD1-CD1 4.21Å; F54-F257 AromaticContact CD1-CD2 3.39Å; F54-F257 HydrophobicContact CD1-CD2 3.39Å; F54-F257 HydrophobicContact CD1-CE1 4.19Å; F54-F257 AromaticContact CD1-CE2 3.37Å; F54-F257 HydrophobicContact CD1-CE2 3.37Å; F54-F257 AromaticContact CD1-CG 3.81Å; F54-F257 HydrophobicContact CD1-CG 3.81Å; F54-F257 AromaticContact CD1-CZ 3.76Å; F54-F257 HydrophobicContact CD1-CZ 3.76Å; F54-F257 HydrophobicContact CE1-CB 4Å; F54-F257 AromaticContact CE1-CD2 3.38Å; F54-F257 HydrophobicContact CE1-CD2 3.38Å; F54-F257 AromaticContact CE1-CE2 3.86Å; F54-F257 HydrophobicContact CE1-CE2 3.86Å; F54-F257 AromaticContact CE1-CG 3.73Å; F54-F257 HydrophobicContact CE1-CG 3.73Å; F54-F257 HydrophobicContact CG-CD2 4.44Å; F54-F257 HydrophobicContact CG-CE2 4.07Å; F54-F257 HydrophobicContact CG-CZ 4.41Å; F54-F257 HydrophobicContact CZ-CD2 4.4Å; F54-L386 HydrophobicContact CB-CD2 3.79Å; F54-L386 HydrophobicContact CD2-CD1 4.27Å; F54-L386 HydrophobicContact CD2-CD2 4.38Å; F54-L386 HydrophobicContact CG-CD2 4.22Å
55L97.6Very high92.9Very high13 Ų1327 Ų277%0.06815%0.145CC..Hα-helixtrans-60.6-54.4175.617659.7000110.9L13 Y35 L37 R51 W52 R53 Q57 S58 L59 F257L13-L55 HydrophobicContact CD1-CD1 3.8Å; Y35-L55 HydrophobicContact CE1-CD2 4.48Å; Y35-L55 HydrophobicContact CE2-CD1 4.19Å; Y35-L55 WeakPolarHBondContact OH-CD1 3.48Å; L37-L55 HydrophobicContact CD1-CD2 4.15Å; R51-L55 WeakPolarHBondContact O-CB 3.33Å; R51-L55 PolarHBondContact O-N 2.88Å; W52-L55 HydrophobicContact CE3-CD2 4.1Å; W52-L55 HydrophobicContact CZ3-CD2 3.93Å; W52-L55 WeakPolarHBondContact O-CB 3.36Å; W52-L55 PolarHBondContact O-N 2.84Å; W52-L55 VanDerWaalsContact O-N 3.16Å; R53-L55 VanDerWaalsContact C-N 3.33Å; R53-L55 PolarHBondContact O-N 3.41Å; L55-Q57 PolarHBondContact O-N 3.46Å; L55-S58 CarbonylContact O-C 3.58Å; L55-S58 WeakPolarHBondContact O-CA 3.27Å; L55-S58 WeakPolarHBondContact O-CB 3.41Å; L55-S58 PolarHBondContact O-N 2.86Å; L55-L59 HydrophobicContact CD1-CD1 4.31Å; L55-L59 HydrophobicContact CD1-CD2 4.31Å; L55-L59 HydrophobicContact CD1-CG 4.14Å; L55-L59 HydrophobicContact CG-CD1 4.27Å; L55-L59 HydrophobicContact CG-CG 4.44Å; L55-L59 WeakPolarHBondContact O-CG 3.31Å; L55-L59 PolarHBondContact O-N 3.02Å; L55-F257 HydrophobicContact CB-CE1 3.91Å; L55-F257 HydrophobicContact CD1-CD1 4.28Å; L55-F257 HydrophobicContact CD1-CE1 4.15Å
56L97.6Very high95Very high5 Ų525.5 Ų25.53%0.02614%0.135CC..Hα-helixtrans-59-45.7-177.8-65.4178.2000111.6W52 R53 S58 L59 E60 V192 P193 L195 L198W52-L56 WeakPolarHBondContact O-CG 3.45Å; W52-L56 PolarHBondContact O-N 3.08Å; R53-L56 PolarHBondContact O-N 3.38Å; L56-S58 PolarHBondContact O-N 2.97Å; L56-L59 PolarHBondContact O-N 3.33Å; L56-E60 WeakPolarHBondContact O-CG 3.24Å; L56-E60 PolarHBondContact O-N 3.29Å; L56-V192 HydrophobicContact CB-CG1 4.39Å; L56-V192 HydrophobicContact CD2-CG1 3.92Å; L56-P193 WeakPolarHBondContact CD1-O 3.47Å; L56-P193 HydrophobicContact CD2-CG 4.04Å; L56-P193 WeakPolarHBondContact CD2-O 3.41Å; L56-L195 HydrophobicContact CD1-CD2 3.75Å; L56-L195 HydrophobicContact CD1-CG 3.97Å; L56-L198 HydrophobicContact CD1-CD1 4.01Å; L56-L198 HydrophobicContact CD2-CD1 4.26Å
57Q98.6Very high96.4Very high53 Ų5326.4 Ų26.425%0.24813%0.131CC..Hα-helixtrans-59.5-35.2173.7-72.1174.2-1200112.5R53 L55 D61R53-Q57 WeakPolarHBondContact O-CB 3.42Å; R53-Q57 VanDerWaalsContact O-CG 3.27Å; R53-Q57 WeakPolarHBondContact O-CG 3.31Å; R53-Q57 PolarHBondContact O-N 3.2Å; L55-Q57 PolarHBondContact O-N 3.46Å; Q57-D61 WeakPolarHBondContact O-CB 3.44Å; Q57-D61 PolarHBondContact O-N 2.8Å
58S98.8Very high97Very high0 Ų032.7 Ų32.70%016%0.157CC..Hα-helixtrans-70.3-35175.3-550000112.5F54 L55 L56 L62 G213 C259F54-S58 WeakPolarHBondContact O-CB 3.48Å; F54-S58 PolarHBondContact O-N 2.95Å; F54-S58 PolarHBondContact O-OG 3.45Å; L55-S58 CarbonylContact O-C 3.58Å; L55-S58 WeakPolarHBondContact O-CA 3.27Å; L55-S58 WeakPolarHBondContact O-CB 3.41Å; L55-S58 PolarHBondContact O-N 2.86Å; L56-S58 PolarHBondContact O-N 2.97Å; S58-L62 WeakPolarHBondContact O-CB 3.46Å; S58-L62 PolarHBondContact O-N 2.92Å; S58-L62 VanDerWaalsContact O-N 3.08Å; S58-G213 PolarHBondContact OG-N 3.39Å; S58-C259 PolarHBondContact OG-SG 2.81Å
59L98.7Very high97.4Very high0 Ų033.5 Ų33.50%016%0.158CC..Hα-helixtrans-72-38.2174.7-60.9-177.8000111.8L13 Y35 L55 L56 L62 D63 L73 V192L13-L59 HydrophobicContact CD1-CD2 4.24Å; L13-L59 HydrophobicContact CD2-CD2 4.04Å; Y35-L59 HydrophobicContact CD1-CD1 3.78Å; Y35-L59 HydrophobicContact CD1-CD2 4.25Å; Y35-L59 HydrophobicContact CD2-CD2 3.53Å; Y35-L59 HydrophobicContact CE1-CD1 4.05Å; Y35-L59 HydrophobicContact CE2-CD2 3.96Å; Y35-L59 HydrophobicContact CG-CD1 4.05Å; Y35-L59 HydrophobicContact CG-CD2 3.69Å; L55-L59 HydrophobicContact CD1-CD1 4.31Å; L55-L59 HydrophobicContact CD1-CD2 4.31Å; L55-L59 HydrophobicContact CD1-CG 4.14Å; L55-L59 HydrophobicContact CG-CD1 4.27Å; L55-L59 HydrophobicContact CG-CG 4.44Å; L55-L59 WeakPolarHBondContact O-CG 3.31Å; L55-L59 PolarHBondContact O-N 3.02Å; L56-L59 PolarHBondContact O-N 3.33Å; L59-L62 PolarHBondContact O-N 3.1Å; L59-D63 PolarHBondContact O-N 3.37Å; L59-L73 HydrophobicContact CB-CD2 3.83Å; L59-L73 HydrophobicContact CD2-CD2 4.09Å; L59-L73 HydrophobicContact CG-CD2 4.45Å; L59-L73 WeakPolarHBondContact O-CD2 3.1Å; L59-V192 HydrophobicContact CB-CG1 3.94Å; L59-V192 HydrophobicContact CB-CG2 3.91Å
60E98.7Very high97.5Very high95 Ų9538.1 Ų38.144%0.44418%0.183SC..Hα-helixtrans-62.2-43.8173.4-73.9171.9-17400111.9L56 L62 D63 S64 V192L56-E60 WeakPolarHBondContact O-CG 3.24Å; L56-E60 PolarHBondContact O-N 3.29Å; E60-L62 VanDerWaalsContact C-N 3.33Å; E60-D63 PolarHBondContact O-N 3.37Å; E60-S64 VanDerWaalsContact O-CB 3.31Å; E60-S64 WeakPolarHBondContact O-CB 3.43Å; E60-S64 PolarHBondContact O-N 3.31Å; E60-S64 PolarHBondContact O-OG 2.69Å; E60-V192 HydrophobicContact CG-CB 4.19Å; E60-V192 HydrophobicContact CG-CG1 4.03Å; E60-V192 HydrophobicContact CG-CG2 4.4Å
61D98.9Very high97.6Very high27 Ų2737.6 Ų37.614%0.14418%0.181CC..Hα-helixtrans-64.3-39.4175.7-178.562.6000111.8Q57 S64 S65 G213 E214 T215Q57-D61 WeakPolarHBondContact O-CB 3.44Å; Q57-D61 PolarHBondContact O-N 2.8Å; D61-S64 PolarHBondContact O-N 2.95Å; D61-S65 WeakPolarHBondContact O-CB 3.5Å; D61-S65 PolarHBondContact O-N 2.77Å; D61-S65 PolarHBondContact O-OG 3.43Å; D61-G213 WeakPolarHBondContact OD2-CA 3.43Å; D61-E214 WeakPolarHBondContact OD2-CA 3.18Å; D61-E214 WeakPolarHBondContact OD2-CB 3.36Å; D61-E214 PolarHBondContact OD2-N 3.46Å; D61-T215 WeakPolarHBondContact OD1-CB 3.3Å; D61-T215 PolarHBondContact OD1-OG1 2.84Å; D61-T215 PolarHBondContact OD2-N 3.13Å
62L98.8Very high97.7Very high1 Ų137.2 Ų37.21%0.00518%0.179CC..Hα-helixtrans-66.3-44.8175.7-17461.2000112F9 L15 S58 L59 E60 S64 S65 L66 L73F9-L62 HydrophobicContact CD1-CD2 4.01Å; F9-L62 HydrophobicContact CD2-CD2 3.73Å; F9-L62 HydrophobicContact CE1-CD1 4.37Å; F9-L62 HydrophobicContact CE1-CD2 4.02Å; F9-L62 HydrophobicContact CE2-CD1 4.38Å; F9-L62 HydrophobicContact CE2-CD2 3.73Å; F9-L62 HydrophobicContact CE2-CG 4.4Å; F9-L62 HydrophobicContact CG-CD2 3.86Å; F9-L62 HydrophobicContact CZ-CD1 3.98Å; F9-L62 HydrophobicContact CZ-CD2 3.89Å; F9-L62 HydrophobicContact CZ-CG 4.44Å; L15-L62 HydrophobicContact CD2-CD1 3.75Å; L15-L62 HydrophobicContact CG-CD1 4.02Å; S58-L62 WeakPolarHBondContact O-CB 3.46Å; S58-L62 PolarHBondContact O-N 2.92Å; S58-L62 VanDerWaalsContact O-N 3.08Å; L59-L62 PolarHBondContact O-N 3.1Å; E60-L62 VanDerWaalsContact C-N 3.33Å; L62-S64 VanDerWaalsContact C-N 3.33Å; L62-S64 PolarHBondContact O-N 3.08Å; L62-S65 PolarHBondContact O-N 3.32Å; L62-L66 HydrophobicContact CG-CD1 4.23Å; L62-L66 WeakPolarHBondContact O-CB 3.48Å; L62-L66 WeakPolarHBondContact O-CG 3.42Å; L62-L66 PolarHBondContact O-N 3.26Å; L62-L73 HydrophobicContact CD2-CD1 4.06Å; L62-L73 HydrophobicContact CD2-CD2 4.47Å
63D98.7Very high97.9Very high12 Ų1236.7 Ų36.76%0.06418%0.177CC..Hα-helixtrans-59.9-44.4173.2-17356000111L59 E60 S65 L66 R67 R72 L73L59-D63 PolarHBondContact O-N 3.37Å; E60-D63 PolarHBondContact O-N 3.37Å; D63-S65 VanDerWaalsContact C-N 3.29Å; D63-S65 PolarHBondContact O-N 2.95Å; D63-L66 PolarHBondContact O-N 3.14Å; D63-R67 VanDerWaalsContact O-CG 3.3Å; D63-R67 WeakPolarHBondContact O-CG 3.38Å; D63-R67 PolarHBondContact O-N 3.15Å; D63-R67 IonicContact OD2-CZ 3.57Å; D63-R67 IonicContact OD2-NE 3.19Å; D63-R67 PolarHBondContact OD2-NE 3.28Å; D63-R67 IonicContact OD2-NH2 3.46Å; D63-R67 PolarHBondContact OD2-NH2 2.92Å; D63-R72 IonicContact OD1-CZ 3.08Å; D63-R72 IonicContact OD1-NE 3.68Å; D63-R72 PolarHBondContact OD1-NE 3.5Å; D63-R72 IonicContact OD1-NH2 3.64Å; D63-R72 PolarHBondContact OD1-NH2 2.93Å; D63-R72 IonicContact OD2-CZ 3.39Å; D63-R72 IonicContact OD2-NE 3.78Å; D63-R72 PolarHBondContact OD2-NE 3.04Å; D63-R72 IonicContact OD2-NH2 2.61Å; D63-R72 PolarHBondContact OD2-NH2 2.81Å; D63-L73 HydrophobicContact CB-CB 3.81Å; D63-L73 PolarHBondContact OD1-N 3.4Å
64S98.6Very high98Very high56 Ų5635.7 Ų35.739%0.39217%0.174SC..Hα-helixtrans-60.9-37.6177.1-63.40000112.5E60 D61 L62E60-S64 VanDerWaalsContact O-CB 3.31Å; E60-S64 WeakPolarHBondContact O-CB 3.43Å; E60-S64 PolarHBondContact O-N 3.31Å; E60-S64 PolarHBondContact O-OG 2.69Å; D61-S64 PolarHBondContact O-N 2.95Å; L62-S64 VanDerWaalsContact C-N 3.33Å; L62-S64 PolarHBondContact O-N 3.08Å
65S98.3Very high98Very high14 Ų1435.8 Ų35.810%0.09818%0.175CC..Hα-helixtrans-73.2-38.6176.5-64.30000112.1D61 L62 D63 K68D61-S65 WeakPolarHBondContact O-CB 3.5Å; D61-S65 PolarHBondContact O-N 2.77Å; D61-S65 PolarHBondContact O-OG 3.43Å; L62-S65 PolarHBondContact O-N 3.32Å; D63-S65 VanDerWaalsContact C-N 3.29Å; D63-S65 PolarHBondContact O-N 2.95Å; S65-K68 WeakPolarHBondContact O-CB 3.41Å; S65-K68 PolarHBondContact O-N 2.9Å
66L98Very high97.9Very high3 Ų335.6 Ų35.62%0.01617%0.173CC..Hα-helixtrans-66.3-35.3173.7-72.2168.2000112.5L15 C33 L62 D63 K68 L69 N70 S71 L73L15-L66 HydrophobicContact CD1-CD2 4.43Å; L15-L66 HydrophobicContact CD2-CD2 4.04Å; C33-L66 HydrophobicContact CB-CD1 3.62Å; C33-L66 HydrophobicContact CB-CD2 4.39Å; L62-L66 HydrophobicContact CG-CD1 4.23Å; L62-L66 WeakPolarHBondContact O-CB 3.48Å; L62-L66 WeakPolarHBondContact O-CG 3.42Å; L62-L66 PolarHBondContact O-N 3.26Å; D63-L66 PolarHBondContact O-N 3.14Å; L66-K68 VanDerWaalsContact C-N 3.27Å; L66-K68 PolarHBondContact O-N 3.34Å; L66-L69 CarbonylContact O-C 3.59Å; L66-L69 WeakPolarHBondContact O-CA 3.27Å; L66-L69 WeakPolarHBondContact O-CB 3.37Å; L66-L69 PolarHBondContact O-N 2.98Å; L66-N70 PolarHBondContact O-N 3.19Å; L66-S71 CarbonylContact C-O 3.56Å; L66-S71 VanDerWaalsContact C-O 3.26Å; L66-S71 CarbonylContact O-C 3.4Å; L66-S71 WeakPolarHBondContact O-CA 3.32Å; L66-S71 PolarHBondContact O-N 3.27Å; L66-L73 HydrophobicContact CD1-CB 4.06Å; L66-L73 HydrophobicContact CD1-CD1 4.44Å
67R97.3Very high97.7Very high116 Ų11641.1 Ų41.144%0.43819%0.194SC..Hα-helixtrans-57.5-39173.8-77.3173.7-173.4-110.514.1112.3D63 L69 N70 S71 R72 D187D63-R67 VanDerWaalsContact O-CG 3.3Å; D63-R67 WeakPolarHBondContact O-CG 3.38Å; D63-R67 PolarHBondContact O-N 3.15Å; D63-R67 IonicContact OD2-CZ 3.57Å; D63-R67 IonicContact OD2-NE 3.19Å; D63-R67 PolarHBondContact OD2-NE 3.28Å; D63-R67 IonicContact OD2-NH2 3.46Å; D63-R67 PolarHBondContact OD2-NH2 2.92Å; R67-L69 PolarHBondContact O-N 3.42Å; R67-L69 VanDerWaalsContact O-N 3.16Å; R67-N70 PolarHBondContact O-N 2.82Å; R67-N70 VanDerWaalsContact O-N 3.07Å; R67-S71 VanDerWaalsContact CA-O 3.27Å; R67-S71 WeakPolarHBondContact CA-O 3.17Å; R67-S71 PolarHBondContact N-O 3.25Å; R67-R72 VanDerWaalsContact CG-CD 3.41Å; R67-D187 IonicContact NH2-OD1 2.6Å; R67-D187 IonicContact NH2-OD2 2.99Å
68K97.1Very high97.4Very high151 Ų15139.4 Ų39.466%0.65719%0.19SC*.THydrogen-bonded Turntrans-63.7-18.1175.3-61.9168-170.7166.20112.8S65 L66S65-K68 WeakPolarHBondContact O-CB 3.41Å; S65-K68 PolarHBondContact O-N 2.9Å; L66-K68 VanDerWaalsContact C-N 3.27Å; L66-K68 PolarHBondContact O-N 3.34Å
69L96.3Very high97Very high29 Ų2943 Ų4315%0.15221%0.207CC..THydrogen-bonded Turntrans-104.418.1177.8-56.1179.9000112.5L15 L66 R67 S71 I170 A172 M175L15-L69 HydrophobicContact CD1-CD1 3.98Å; L66-L69 CarbonylContact O-C 3.59Å; L66-L69 WeakPolarHBondContact O-CA 3.27Å; L66-L69 WeakPolarHBondContact O-CB 3.37Å; L66-L69 PolarHBondContact O-N 2.98Å; R67-L69 PolarHBondContact O-N 3.42Å; R67-L69 VanDerWaalsContact O-N 3.16Å; L69-S71 PolarHBondContact O-N 2.94Å; L69-I170 HydrophobicContact CD1-CG2 4.05Å; L69-A172 HydrophobicContact CD2-CB 4.39Å; L69-M175 HydrophobicContact CD1-CG 4.35Å
70N95.6Very high96.8Very high143 Ų14343.8 Ų43.877%0.76521%0.212SC*.THydrogen-bonded Turntrans55.133.7-174.7-58.3-47.4000113.3L66 R67L66-N70 PolarHBondContact O-N 3.19Å; R67-N70 PolarHBondContact O-N 2.82Å; R67-N70 VanDerWaalsContact O-N 3.07Å
71S96.9Very high96.6Very high2 Ų242.1 Ų42.11%0.01421%0.209CC..  trans-126.3-179176.6-168.80000110.2L66 R67 L69 T180L66-S71 CarbonylContact C-O 3.56Å; L66-S71 VanDerWaalsContact C-O 3.26Å; L66-S71 CarbonylContact O-C 3.4Å; L66-S71 WeakPolarHBondContact O-CA 3.32Å; L66-S71 PolarHBondContact O-N 3.27Å; R67-S71 VanDerWaalsContact CA-O 3.27Å; R67-S71 WeakPolarHBondContact CA-O 3.17Å; R67-S71 PolarHBondContact N-O 3.25Å; L69-S71 PolarHBondContact O-N 2.94Å; S71-T180 WeakPolarHBondContact CB-OG1 3.37Å; S71-T180 WeakPolarHBondContact OG-CB 3.38Å; S71-T180 PolarHBondContact OG-OG1 3.34Å
72R97.9Very high96.3Very high21 Ų2146.4 Ų46.48%0.07923%0.231CC..  trans-146.7155177.5-65.2-62.8-55.4-75.9-9.2110.3D63 R67 F74 L182 H186 D187D63-R72 IonicContact OD1-CZ 3.08Å; D63-R72 IonicContact OD1-NE 3.68Å; D63-R72 PolarHBondContact OD1-NE 3.5Å; D63-R72 IonicContact OD1-NH2 3.64Å; D63-R72 PolarHBondContact OD1-NH2 2.93Å; D63-R72 IonicContact OD2-CZ 3.39Å; D63-R72 IonicContact OD2-NE 3.78Å; D63-R72 PolarHBondContact OD2-NE 3.04Å; D63-R72 IonicContact OD2-NH2 2.61Å; D63-R72 PolarHBondContact OD2-NH2 2.81Å; R67-R72 VanDerWaalsContact CG-CD 3.41Å; R72-F74 WeakPolarHBondContact O-CD2 3.21Å; R72-L182 HydrophobicContact CB-CD2 3.67Å; R72-L182 HydrophobicContact CG-CD1 3.65Å; R72-L182 HydrophobicContact CG-CD2 3.46Å; R72-L182 VanDerWaalsContact CG-CD2 3.46Å; R72-L182 HydrophobicContact CG-CG 4.2Å; R72-H186 VanDerWaalsContact CB-CE1 3.49Å; R72-H186 WeakPolarHBondContact CB-CE1 3.28Å; R72-H186 PolarHBondContact NH1-CD2 3.34Å; R72-H186 VanDerWaalsContact NH1-CD2 3.32Å; R72-H186 PolarHBondContact NH2-CD2 3.41Å; R72-H186 VanDerWaalsContact NH2-CD2 3.34Å; R72-D187 IonicContact CZ-OD1 2.77Å; R72-D187 IonicContact NH1-OD1 3.79Å; R72-D187 PolarHBondContact NH1-OD1 3.37Å; R72-D187 IonicContact NH2-OD1 4Å; R72-D187 PolarHBondContact NH2-OD1 2.74Å
73L98.6Very high96.2Very high1 Ų146.5 Ų46.51%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-78.6138165.2-175.164.7000109.6F9 C33 L59 L62 D63 L66 V75 H186 V192F9-L73 HydrophobicContact CD2-CD1 4.2Å; C33-L73 HydrophobicContact CB-CD1 4.45Å; L59-L73 HydrophobicContact CB-CD2 3.83Å; L59-L73 HydrophobicContact CD2-CD2 4.09Å; L59-L73 HydrophobicContact CG-CD2 4.45Å; L59-L73 WeakPolarHBondContact O-CD2 3.1Å; L62-L73 HydrophobicContact CD2-CD1 4.06Å; L62-L73 HydrophobicContact CD2-CD2 4.47Å; D63-L73 HydrophobicContact CB-CB 3.81Å; D63-L73 PolarHBondContact OD1-N 3.4Å; L66-L73 HydrophobicContact CD1-CB 4.06Å; L66-L73 HydrophobicContact CD1-CD1 4.44Å; L73-V75 HydrophobicContact CD2-CG2 3.74Å; L73-V75 HydrophobicContact CG-CG2 3.97Å; L73-H186 PolarHBondContact O-CE1 3.31Å; L73-H186 PolarHBondContact O-NE2 3.16Å; L73-V192 HydrophobicContact CD2-CG2 4.29Å
74F98.7Very high96.2Very high5 Ų546 Ų462%0.02223%0.229CC..EExtended strand (participates in β ladder)trans-106.797.9173.3-68.6-104.8000109.2R32 C33 V34 Y35 R72 W91 T180 L182 H186 F190R32-F74 HydrophobicContact CB-CD2 4.11Å; R32-F74 HydrophobicContact CB-CE2 4.11Å; R32-F74 HydrophobicContact CG-CD2 4.31Å; R32-F74 HydrophobicContact CG-CE2 3.84Å; R32-F74 HydrophobicContact CG-CZ 3.99Å; C33-F74 PolarHBondContact O-N 2.68Å; V34-F74 WeakPolarHBondContact CA-O 3.4Å; V34-F74 HydrophobicContact CG2-CB 4.02Å; Y35-F74 PolarHBondContact N-O 2.74Å; R72-F74 WeakPolarHBondContact O-CD2 3.21Å; F74-W91 HydrophobicContact CB-CH2 4.47Å; F74-W91 AromaticContact CD1-CH2 3.98Å; F74-W91 HydrophobicContact CD1-CH2 3.98Å; F74-W91 HydrophobicContact CD1-CZ2 4.21Å; F74-W91 HydrophobicContact CG-CH2 4.37Å; F74-T180 HydrophobicContact CE2-CG2 3.65Å; F74-T180 HydrophobicContact CZ-CG2 4.02Å; F74-L182 HydrophobicContact CE2-CD2 4.26Å; F74-L182 HydrophobicContact CZ-CD2 3.89Å; F74-H186 AromaticContact CD1-CE1 3.76Å; F74-H186 AromaticContact CE1-CE1 3.64Å; F74-H186 AromaticContact CE1-ND1 3.74Å; F74-H186 AromaticContact CE2-CE1 3.92Å; F74-H186 AromaticContact CG-CE1 3.96Å; F74-H186 AromaticContact CZ-CE1 3.73Å; F74-H186 AromaticContact CZ-ND1 3.9Å; F74-F190 HydrophobicContact CB-CB 4.36Å; F74-F190 HydrophobicContact CB-CG 4.49Å; F74-F190 HydrophobicContact CD1-CB 4.13Å; F74-F190 HydrophobicContact CD1-CD1 4.16Å; F74-F190 AromaticContact CD1-CD2 3.59Å; F74-F190 HydrophobicContact CD1-CD2 3.59Å; F74-F190 HydrophobicContact CD1-CE1 4.48Å; F74-F190 AromaticContact CD1-CE2 3.96Å; F74-F190 HydrophobicContact CD1-CE2 3.96Å; F74-F190 AromaticContact CD1-CG 3.7Å; F74-F190 HydrophobicContact CD1-CG 3.7Å; F74-F190 HydrophobicContact CD1-CZ 4.39Å; F74-F190 AromaticContact CE1-CD2 3.89Å; F74-F190 HydrophobicContact CE1-CD2 3.89Å; F74-F190 HydrophobicContact CE1-CE2 4.08Å; F74-F190 HydrophobicContact CE1-CG 4.45Å; F74-F190 HydrophobicContact CG-CG 4.49Å
75V98.1Very high96.2Very high5 Ų545.9 Ų45.93%0.0323%0.228CC..EExtended strand (participates in β ladder)trans-86.3115.4175.4-174.70000109.2Y35 L37 L73 F190 V192Y35-V75 CarbonylContact O-C 3.42Å; Y35-V75 WeakPolarHBondContact O-CA 3.46Å; L37-V75 HydrophobicContact CB-CG1 3.92Å; L37-V75 HydrophobicContact CD2-CG1 4.35Å; L73-V75 HydrophobicContact CD2-CG2 3.74Å; L73-V75 HydrophobicContact CG-CG2 3.97Å; V75-F190 WeakPolarHBondContact CB-O 3.38Å; V75-F190 PolarHBondContact N-O 3.09Å; V75-F190 WeakPolarHBondContact O-CA 3.3Å; V75-V192 HydrophobicContact CG2-CB 4.47Å; V75-V192 HydrophobicContact CG2-CG2 3.87Å
76I96.8Very high96.1Very high8 Ų851 Ų514%0.04125%0.245CC..EExtended strand (participates in β ladder)trans-114.8126.4-173.1-55.2175.1000109.1V34 Y35 I36 L37 V83 L87 W91 F190V34-I76 HydrophobicContact CG1-CD1 3.52Å; V34-I76 HydrophobicContact CG1-CG1 4.1Å; V34-I76 HydrophobicContact CG2-CD1 4.17Å; Y35-I76 PolarHBondContact O-N 3.17Å; I36-I76 CarbonylContact C-O 3.49Å; I36-I76 WeakPolarHBondContact CA-O 3.47Å; L37-I76 PolarHBondContact N-O 3.1Å; I76-V83 HydrophobicContact CB-CG1 4.42Å; I76-V83 HydrophobicContact CD1-CG1 4.38Å; I76-V83 HydrophobicContact CG2-CG1 3.67Å; I76-V83 HydrophobicContact CG2-CG2 4.06Å; I76-L87 HydrophobicContact CD1-CD1 3.4Å; I76-L87 HydrophobicContact CD1-CD2 3.98Å; I76-L87 HydrophobicContact CD1-CG 4.27Å; I76-W91 HydrophobicContact CD1-CH2 3.8Å; I76-W91 HydrophobicContact CD1-CZ3 4.36Å; I76-F190 HydrophobicContact CG1-CD1 4.12Å; I76-F190 HydrophobicContact CG1-CE1 4.37Å
77R92.6Very high96.1Very high121 Ų12151 Ų5146%0.45725%0.245SC..EExtended strand (participates in β ladder)trans-81.4127.9178.8-62.7179.7-180112-8.3111L37 P39 E197L37-R77 CarbonylContact O-C 3.57Å; L37-R77 VanDerWaalsContact O-CA 3.25Å; L37-R77 WeakPolarHBondContact O-CA 3.33Å; P39-R77 HydrophobicContact CG-CB 4.41Å; R77-E197 IonicContact NH2-OE2 3.95Å; R77-E197 PolarHBondContact NH2-OE2 2.9Å; R77-E197 VanDerWaalsContact NH2-OE2 3.08Å
78G91.9Very high96.2Very high17 Ų1746.1 Ų46.118%0.17523%0.227CC..SBendtrans137.9-170171.600000114.7I36 L37I36-G78 WeakPolarHBondContact CG2-O 3.07Å; L37-G78 PolarHBondContact O-N 2.51Å
79Q91.1Very high96.2Very high77 Ų7747.4 Ų47.436%0.3623%0.232SC..  trans-86.7140.4176.4-66.7-62.5-2000111.4D38 T81 D82 V83D38-Q79 PolarHBondContact OD1-NE2 3.33Å; D38-Q79 PolarHBondContact OD2-NE2 3.44Å; Q79-T81 VanDerWaalsContact C-N 3.25Å; Q79-T81 PolarHBondContact O-N 2.83Å; Q79-D82 PolarHBondContact O-N 2.8Å; Q79-D82 VanDerWaalsContact O-N 3.09Å; Q79-V83 WeakPolarHBondContact O-CB 3.16Å; Q79-V83 VanDerWaalsContact O-CG2 3.26Å; Q79-V83 WeakPolarHBondContact O-CG2 3.45Å; Q79-V83 PolarHBondContact O-N 3.15Å
80P94Very high96.2Very high16 Ų1651.8 Ų51.810%0.10425%0.252CS..Hα-helixtrans-53.4-39.9177.9-29.637000114.1W8 I36 D82 V83 F84 I113W8-P80 HydrophobicContact CH2-CB 3.85Å; W8-P80 HydrophobicContact CH2-CG 4.07Å; W8-P80 HydrophobicContact CZ2-CB 3.9Å; W8-P80 HydrophobicContact CZ2-CG 3.72Å; I36-P80 HydrophobicContact CD1-CB 4.13Å; I36-P80 HydrophobicContact CD1-CG 4.32Å; I36-P80 HydrophobicContact CG2-CG 4.17Å; P80-D82 VanDerWaalsContact C-N 3.26Å; P80-D82 PolarHBondContact O-N 2.93Å; P80-V83 PolarHBondContact O-N 2.88Å; P80-F84 HydrophobicContact CB-CD2 4.1Å; P80-F84 HydrophobicContact CB-CE2 4.07Å; P80-F84 WeakPolarHBondContact O-CB 3.28Å; P80-F84 WeakPolarHBondContact O-CD2 3.5Å; P80-F84 PolarHBondContact O-N 2.88Å; P80-I113 HydrophobicContact CB-CD1 3.95Å; P80-I113 HydrophobicContact CB-CG1 4.3Å
81T94.3Very high96.3Very high60 Ų6046.6 Ų46.637%0.36822%0.222SC..Hα-helixtrans-64.8-28.4-17947.70000113.4Q79 P85 A112 I113Q79-T81 VanDerWaalsContact C-N 3.25Å; Q79-T81 PolarHBondContact O-N 2.83Å; T81-P85 WeakPolarHBondContact O-CD 3.38Å; T81-P85 WeakPolarHBondContact O-CG 3.44Å; T81-A112 HydrophobicContact CG2-CB 4.46Å; T81-I113 HydrophobicContact CG2-CD1 3.97Å
82D93.7Very high96.4Very high116 Ų11654.2 Ų54.262%0.6226%0.255SS*.Hα-helixtrans-92.3-35.8179.1-56-29.8000111.2Q79 P80Q79-D82 PolarHBondContact O-N 2.8Å; Q79-D82 VanDerWaalsContact O-N 3.09Å; P80-D82 VanDerWaalsContact C-N 3.26Å; P80-D82 PolarHBondContact O-N 2.93Å
83V96.6Very high96.4Very high4 Ų453.6 Ų53.62%0.02425%0.253CS..Hα-helixtrans-71.6-48.6-176.1167.90000111.3I36 I76 Q79 P80 R86 L87I36-V83 HydrophobicContact CD1-CB 4.17Å; I36-V83 HydrophobicContact CD1-CG1 3.83Å; I36-V83 HydrophobicContact CG1-CG1 4.3Å; I36-V83 HydrophobicContact CG2-CG2 4.37Å; I76-V83 HydrophobicContact CB-CG1 4.42Å; I76-V83 HydrophobicContact CD1-CG1 4.38Å; I76-V83 HydrophobicContact CG2-CG1 3.67Å; I76-V83 HydrophobicContact CG2-CG2 4.06Å; Q79-V83 WeakPolarHBondContact O-CB 3.16Å; Q79-V83 VanDerWaalsContact O-CG2 3.26Å; Q79-V83 WeakPolarHBondContact O-CG2 3.45Å; Q79-V83 PolarHBondContact O-N 3.15Å; P80-V83 PolarHBondContact O-N 2.88Å; V83-R86 WeakPolarHBondContact O-CB 3.5Å; V83-R86 PolarHBondContact O-N 3.17Å; V83-L87 HydrophobicContact CG1-CD1 3.52Å; V83-L87 HydrophobicContact CG1-CG 3.88Å; V83-L87 WeakPolarHBondContact O-CG 3.44Å; V83-L87 PolarHBondContact O-N 2.81Å
84F98.1Very high96.3Very high0 Ų055.3 Ų55.30%026%0.264CS..Hα-helixtrans-61.4-46.3-172-84.4-60.1000114.8I6 W8 I36 P80 R86 L87 F88 L96 I113I6-F84 HydrophobicContact CG2-CE1 4.39Å; W8-F84 HydrophobicContact CB-CZ 3.98Å; W8-F84 AromaticContact CD2-CE2 3.68Å; W8-F84 HydrophobicContact CD2-CE2 3.68Å; W8-F84 AromaticContact CD2-CZ 3.44Å; W8-F84 HydrophobicContact CD2-CZ 3.44Å; W8-F84 VanDerWaalsContact CD2-CZ 3.44Å; W8-F84 AromaticContact CE2-CE2 3.96Å; W8-F84 AromaticContact CE3-CE2 3.5Å; W8-F84 HydrophobicContact CE3-CE2 3.5Å; W8-F84 VanDerWaalsContact CE3-CE2 3.5Å; W8-F84 AromaticContact CE3-CZ 3.5Å; W8-F84 HydrophobicContact CE3-CZ 3.5Å; W8-F84 HydrophobicContact CG-CE2 4.36Å; W8-F84 AromaticContact CG-CZ 3.67Å; W8-F84 HydrophobicContact CG-CZ 3.67Å; W8-F84 AromaticContact CH2-CE2 3.9Å; W8-F84 HydrophobicContact CH2-CE2 3.9Å; W8-F84 HydrophobicContact CZ2-CE2 4.11Å; W8-F84 AromaticContact CZ3-CE2 3.58Å; W8-F84 HydrophobicContact CZ3-CE2 3.58Å; W8-F84 HydrophobicContact CZ3-CZ 4.1Å; I36-F84 HydrophobicContact CD1-CD2 4.04Å; I36-F84 HydrophobicContact CD1-CE1 4.35Å; I36-F84 HydrophobicContact CD1-CE2 3.51Å; I36-F84 HydrophobicContact CD1-CZ 3.68Å; P80-F84 HydrophobicContact CB-CD2 4.1Å; P80-F84 HydrophobicContact CB-CE2 4.07Å; P80-F84 WeakPolarHBondContact O-CB 3.28Å; P80-F84 WeakPolarHBondContact O-CD2 3.5Å; P80-F84 PolarHBondContact O-N 2.88Å; F84-R86 PolarHBondContact O-N 3.25Å; F84-L87 PolarHBondContact O-N 3.23Å; F84-L87 VanDerWaalsContact O-N 3.09Å; F84-F88 HydrophobicContact CB-CD2 4.49Å; F84-F88 HydrophobicContact CB-CE1 4.29Å; F84-F88 HydrophobicContact CB-CE2 3.89Å; F84-F88 HydrophobicContact CB-CZ 3.78Å; F84-F88 HydrophobicContact CD1-CD1 4.46Å; F84-F88 AromaticContact CD1-CE1 3.64Å; F84-F88 HydrophobicContact CD1-CE1 3.64Å; F84-F88 AromaticContact CD1-CZ 3.75Å; F84-F88 HydrophobicContact CD1-CZ 3.75Å; F84-F88 HydrophobicContact CE1-CE1 4.43Å; F84-F88 HydrophobicContact CG-CE1 4.31Å; F84-F88 AromaticContact CG-CZ 3.99Å; F84-F88 HydrophobicContact CG-CZ 3.99Å; F84-F88 WeakPolarHBondContact O-CD2 3.4Å; F84-F88 WeakPolarHBondContact O-CG 3.34Å; F84-F88 PolarHBondContact O-N 3.37Å; F84-L96 HydrophobicContact CE1-CD1 3.75Å; F84-L96 HydrophobicContact CE1-CD2 4.21Å; F84-L96 HydrophobicContact CZ-CD1 4.11Å; F84-L96 HydrophobicContact CZ-CD2 4.4Å; F84-I113 HydrophobicContact CD2-CD1 3.79Å; F84-I113 HydrophobicContact CD2-CG1 4.09Å; F84-I113 HydrophobicContact CD2-CG2 3.74Å; F84-I113 HydrophobicContact CE2-CD1 4.47Å; F84-I113 HydrophobicContact CE2-CG1 4.35Å; F84-I113 HydrophobicContact CE2-CG2 3.97Å; F84-I113 HydrophobicContact CG-CG2 4.31Å
85P97.8Very high96.3Very high55 Ų5557.6 Ų57.636%0.35727%0.272SS..Hα-helixtrans-55.5-39.4177.4-27.736.4000113T81 K89 L116T81-P85 WeakPolarHBondContact O-CD 3.38Å; T81-P85 WeakPolarHBondContact O-CG 3.44Å; P85-K89 PolarHBondContact O-N 3.26Å; P85-L116 HydrophobicContact CG-CD1 4.06Å; P85-L116 HydrophobicContact CG-CD2 4.27Å
86R97.4Very high96.4Very high121 Ų12157.3 Ų57.346%0.45727%0.27SS..Hα-helixtrans-64.7-49.6174.9180179.560.6-178.2-2.3111.4V83 F84 F88 K89 E90V83-R86 WeakPolarHBondContact O-CB 3.5Å; V83-R86 PolarHBondContact O-N 3.17Å; F84-R86 PolarHBondContact O-N 3.25Å; R86-F88 PolarHBondContact O-N 2.99Å; R86-K89 PolarHBondContact O-N 3.47Å; R86-E90 WeakPolarHBondContact CD-OE1 3.24Å; R86-E90 VanDerWaalsContact CG-CD 3.47Å; R86-E90 HydrophobicContact CG-CG 4.19Å; R86-E90 WeakPolarHBondContact CG-OE1 3.06Å; R86-E90 WeakPolarHBondContact O-CB 3.34Å; R86-E90 WeakPolarHBondContact O-CG 3.34Å; R86-E90 PolarHBondContact O-N 3.02Å
87L98.1Very high96.5Very high4 Ų457 Ų572%0.02127%0.268CS..Hα-helixtrans-63.9-39.8-178.7-63-177.3000112.9I6 I76 V83 F84 K89 E90 W91I6-L87 HydrophobicContact CD1-CB 4.09Å; I6-L87 HydrophobicContact CD1-CD1 4.17Å; I76-L87 HydrophobicContact CD1-CD1 3.4Å; I76-L87 HydrophobicContact CD1-CD2 3.98Å; I76-L87 HydrophobicContact CD1-CG 4.27Å; V83-L87 HydrophobicContact CG1-CD1 3.52Å; V83-L87 HydrophobicContact CG1-CG 3.88Å; V83-L87 WeakPolarHBondContact O-CG 3.44Å; V83-L87 PolarHBondContact O-N 2.81Å; F84-L87 PolarHBondContact O-N 3.23Å; F84-L87 VanDerWaalsContact O-N 3.09Å; L87-K89 VanDerWaalsContact C-N 3.25Å; L87-K89 PolarHBondContact O-N 3.21Å; L87-E90 PolarHBondContact O-N 3.22Å; L87-W91 HydrophobicContact CB-CE3 4.14Å; L87-W91 HydrophobicContact CB-CZ3 4.41Å; L87-W91 HydrophobicContact CD1-CE3 4.44Å; L87-W91 HydrophobicContact CD1-CH2 4.29Å; L87-W91 HydrophobicContact CD1-CZ3 3.9Å; L87-W91 HydrophobicContact CD2-CD2 4.14Å; L87-W91 HydrophobicContact CD2-CE3 4.05Å; L87-W91 HydrophobicContact CD2-CH2 3.71Å; L87-W91 HydrophobicContact CD2-CZ2 3.76Å; L87-W91 HydrophobicContact CD2-CZ3 3.84Å; L87-W91 HydrophobicContact CG-CE3 4.43Å; L87-W91 HydrophobicContact CG-CZ3 4.25Å; L87-W91 WeakPolarHBondContact O-CB 3.21Å; L87-W91 PolarHBondContact O-N 2.92Å
88F98.4Very high96.8Very high12 Ų1251.2 Ų51.25%0.05325%0.247CC..Hα-helixtrans-58.2-42.3177.7-63.2-24.5000111.4F84 R86 K92 I93 L96 A117 A120 V122F84-F88 HydrophobicContact CB-CD2 4.49Å; F84-F88 HydrophobicContact CB-CE1 4.29Å; F84-F88 HydrophobicContact CB-CE2 3.89Å; F84-F88 HydrophobicContact CB-CZ 3.78Å; F84-F88 HydrophobicContact CD1-CD1 4.46Å; F84-F88 AromaticContact CD1-CE1 3.64Å; F84-F88 HydrophobicContact CD1-CE1 3.64Å; F84-F88 AromaticContact CD1-CZ 3.75Å; F84-F88 HydrophobicContact CD1-CZ 3.75Å; F84-F88 HydrophobicContact CE1-CE1 4.43Å; F84-F88 HydrophobicContact CG-CE1 4.31Å; F84-F88 AromaticContact CG-CZ 3.99Å; F84-F88 HydrophobicContact CG-CZ 3.99Å; F84-F88 WeakPolarHBondContact O-CD2 3.4Å; F84-F88 WeakPolarHBondContact O-CG 3.34Å; F84-F88 PolarHBondContact O-N 3.37Å; R86-F88 PolarHBondContact O-N 2.99Å; F88-K92 VanDerWaalsContact O-CA 3.27Å; F88-K92 WeakPolarHBondContact O-CA 3.16Å; F88-K92 PolarHBondContact O-N 2.95Å; F88-K92 VanDerWaalsContact O-N 3.16Å; F88-I93 HydrophobicContact CD1-CB 3.92Å; F88-I93 HydrophobicContact CD1-CG1 4.31Å; F88-I93 HydrophobicContact CD1-CG2 4.03Å; F88-I93 HydrophobicContact CE1-CG2 4.37Å; F88-I93 PolarHBondContact O-N 2.71Å; F88-L96 HydrophobicContact CE1-CD2 4.33Å; F88-L96 HydrophobicContact CZ-CD2 4.01Å; F88-A117 HydrophobicContact CE2-CB 4.07Å; F88-A117 HydrophobicContact CZ-CB 4.06Å; F88-A120 HydrophobicContact CB-CB 4.22Å; F88-A120 HydrophobicContact CD2-CB 3.75Å; F88-A120 HydrophobicContact CG-CB 4.34Å; F88-V122 HydrophobicContact CB-CG2 4.27Å; F88-V122 HydrophobicContact CD1-CG2 3.98Å; F88-V122 HydrophobicContact CD2-CG2 4.14Å; F88-V122 HydrophobicContact CE1-CG1 4.19Å; F88-V122 HydrophobicContact CE1-CG2 4.31Å; F88-V122 HydrophobicContact CE2-CG2 4.47Å; F88-V122 HydrophobicContact CG-CG2 3.88Å; F88-V122 HydrophobicContact CZ-CG1 4.44Å
89K97.5Very high97.1Very high178 Ų17851 Ų5177%0.77424%0.241SC*.Hα-helixtrans-72.5-52.5177.6-173.9179.7179-177.90112.6P85 R86 L87 K92P85-K89 PolarHBondContact O-N 3.26Å; R86-K89 PolarHBondContact O-N 3.47Å; L87-K89 VanDerWaalsContact C-N 3.25Å; L87-K89 PolarHBondContact O-N 3.21Å; K89-K92 PolarHBondContact O-N 2.67Å
90E96.9Very high97.4Very high121 Ų12149.6 Ų49.657%0.56523%0.233SC*.Hα-helixtrans-66-41.2-173.5-73.9179-174.200112.4R86 L87R86-E90 WeakPolarHBondContact CD-OE1 3.24Å; R86-E90 VanDerWaalsContact CG-CD 3.47Å; R86-E90 HydrophobicContact CG-CG 4.19Å; R86-E90 WeakPolarHBondContact CG-OE1 3.06Å; R86-E90 WeakPolarHBondContact O-CB 3.34Å; R86-E90 WeakPolarHBondContact O-CG 3.34Å; R86-E90 PolarHBondContact O-N 3.02Å; L87-E90 PolarHBondContact O-N 3.22Å
91W97.5Very high97.6Very high35 Ų3549.4 Ų49.413%0.13323%0.231CC..THydrogen-bonded Turntrans-97.13.8-178.3-59.6-16.5000113.4I6 R32 V34 F74 I76 L87 I93 F190I6-W91 HydrophobicContact CD1-CE3 3.79Å; I6-W91 HydrophobicContact CD1-CZ3 3.95Å; I6-W91 HydrophobicContact CG1-CE3 4.19Å; I6-W91 HydrophobicContact CG1-CZ3 4.35Å; R32-W91 HydrophobicContact CB-CZ3 4.28Å; R32-W91 VanDerWaalsContact CD-CE3 3.44Å; V34-W91 HydrophobicContact CG2-CH2 4.27Å; V34-W91 HydrophobicContact CG2-CZ3 3.84Å; F74-W91 HydrophobicContact CB-CH2 4.47Å; F74-W91 AromaticContact CD1-CH2 3.98Å; F74-W91 HydrophobicContact CD1-CH2 3.98Å; F74-W91 HydrophobicContact CD1-CZ2 4.21Å; F74-W91 HydrophobicContact CG-CH2 4.37Å; I76-W91 HydrophobicContact CD1-CH2 3.8Å; I76-W91 HydrophobicContact CD1-CZ3 4.36Å; L87-W91 HydrophobicContact CB-CE3 4.14Å; L87-W91 HydrophobicContact CB-CZ3 4.41Å; L87-W91 HydrophobicContact CD1-CE3 4.44Å; L87-W91 HydrophobicContact CD1-CH2 4.29Å; L87-W91 HydrophobicContact CD1-CZ3 3.9Å; L87-W91 HydrophobicContact CD2-CD2 4.14Å; L87-W91 HydrophobicContact CD2-CE3 4.05Å; L87-W91 HydrophobicContact CD2-CH2 3.71Å; L87-W91 HydrophobicContact CD2-CZ2 3.76Å; L87-W91 HydrophobicContact CD2-CZ3 3.84Å; L87-W91 HydrophobicContact CG-CE3 4.43Å; L87-W91 HydrophobicContact CG-CZ3 4.25Å; L87-W91 WeakPolarHBondContact O-CB 3.21Å; L87-W91 PolarHBondContact O-N 2.92Å; W91-I93 VanDerWaalsContact C-N 3.25Å; W91-I93 HydrophobicContact CB-CD1 3.55Å; W91-I93 HydrophobicContact CB-CG1 3.87Å; W91-I93 HydrophobicContact CE3-CD1 4.37Å; W91-I93 PolarHBondContact O-N 2.63Å; W91-F190 HydrophobicContact CZ2-CE1 4.24Å; W91-F190 AromaticContact CZ2-CZ 4Å; W91-F190 HydrophobicContact CZ2-CZ 4Å
92K97.8Very high97.7Very high161 Ų16146.7 Ų46.770%0.722%0.215SC*.THydrogen-bonded Turntrans49.748.9-179.3-57.3177.8-177.9176.80111.3N4 F88 K89N4-K92 WeakPolarHBondContact CB-O 3.13Å; N4-K92 PolarHBondContact ND2-O 3.46Å; F88-K92 VanDerWaalsContact O-CA 3.27Å; F88-K92 WeakPolarHBondContact O-CA 3.16Å; F88-K92 PolarHBondContact O-N 2.95Å; F88-K92 VanDerWaalsContact O-N 3.16Å; K89-K92 PolarHBondContact O-N 2.67Å
93I98.4Very high97.9Very high9 Ų942.2 Ų42.25%0.04619%0.19CC..  trans-69139.2-175.9-58.4-55.4000109.5N4 I6 F88 W91 R95 V122N4-I93 HydrophobicContact CB-CD1 4.02Å; I6-I93 HydrophobicContact CD1-CD1 3.97Å; I6-I93 HydrophobicContact CD1-CG1 3.68Å; I6-I93 HydrophobicContact CD1-CG2 4.42Å; I6-I93 HydrophobicContact CG1-CD1 3.64Å; I6-I93 HydrophobicContact CG1-CG1 3.87Å; I6-I93 HydrophobicContact CG1-CG2 4.26Å; F88-I93 HydrophobicContact CD1-CB 3.92Å; F88-I93 HydrophobicContact CD1-CG1 4.31Å; F88-I93 HydrophobicContact CD1-CG2 4.03Å; F88-I93 HydrophobicContact CE1-CG2 4.37Å; F88-I93 PolarHBondContact O-N 2.71Å; W91-I93 VanDerWaalsContact C-N 3.25Å; W91-I93 HydrophobicContact CB-CD1 3.55Å; W91-I93 HydrophobicContact CB-CG1 3.87Å; W91-I93 HydrophobicContact CE3-CD1 4.37Å; W91-I93 PolarHBondContact O-N 2.63Å; I93-R95 WeakPolarHBondContact CG2-O 3.48Å; I93-V122 HydrophobicContact CG2-CG1 4.06Å; I93-V122 HydrophobicContact CG2-CG2 4.43Å; I93-V122 WeakPolarHBondContact O-CG2 3.36Å
94T97.8Very high97.7Very high37 Ų3742.9 Ų42.923%0.22720%0.195CC..  trans-117.7-19174.8540000111.8N4 E123N4-T94 PolarHBondContact N-OG1 3.25Å; N4-T94 PolarHBondContact O-N 3.17Å; N4-T94 PolarHBondContact O-OG1 3.25Å; T94-E123 PolarHBondContact O-N 3Å
95R98.6Very high97.4Very high52 Ų5250.1 Ų50.120%0.19623%0.226CC..EExtended strand (participates in β ladder)trans-136.1138.7179-62.5-177-177.1159.95.3112.2I3 N4 T5 I6 L26 I93 E123I3-R95 HydrophobicContact CG2-CG 4.32Å; N4-R95 PolarHBondContact O-N 3.48Å; T5-R95 CarbonylContact C-O 3.57Å; T5-R95 WeakPolarHBondContact CA-O 3.41Å; T5-R95 HydrophobicContact CG2-CB 4.19Å; I6-R95 PolarHBondContact N-O 3.42Å; L26-R95 PolarHBondContact O-NH1 3.04Å; I93-R95 WeakPolarHBondContact CG2-O 3.48Å; R95-E123 CarbonylContact C-O 3.57Å; R95-E123 VanDerWaalsContact CA-O 3.31Å; R95-E123 WeakPolarHBondContact CA-O 3.15Å; R95-E123 HydrophobicContact CG-CB 4.25Å; R95-E123 IonicContact NE-OE2 2.62Å; R95-E123 PolarHBondContact NE-OE2 2.98Å
96L98.8Very high97.1Very high0 Ų047.6 Ų47.60%021%0.21CC..EExtended strand (participates in β ladder)trans-124132.6171172.363.6000108.7I6 W8 F84 F88 Y98 I113 V122 E123 V124 T125I6-L96 HydrophobicContact CB-CD1 3.97Å; I6-L96 HydrophobicContact CG2-CD1 3.73Å; I6-L96 CarbonylContact O-C 3.52Å; I6-L96 WeakPolarHBondContact O-CA 3.46Å; W8-L96 HydrophobicContact CB-CD1 4.04Å; F84-L96 HydrophobicContact CE1-CD1 3.75Å; F84-L96 HydrophobicContact CE1-CD2 4.21Å; F84-L96 HydrophobicContact CZ-CD1 4.11Å; F84-L96 HydrophobicContact CZ-CD2 4.4Å; F88-L96 HydrophobicContact CE1-CD2 4.33Å; F88-L96 HydrophobicContact CZ-CD2 4.01Å; L96-Y98 HydrophobicContact CD1-CD1 4.45Å; L96-Y98 HydrophobicContact CD2-CD1 4.22Å; L96-Y98 HydrophobicContact CD2-CE1 3.99Å; L96-Y98 HydrophobicContact CG-CD1 4.01Å; L96-Y98 HydrophobicContact CG-CE1 4.15Å; L96-I113 HydrophobicContact CD2-CG2 3.78Å; L96-V122 HydrophobicContact CB-CG1 3.84Å; L96-E123 PolarHBondContact N-O 3.5Å; L96-V124 HydrophobicContact CB-CG2 4.48Å; L96-V124 CarbonylContact O-C 3.56Å; L96-V124 VanDerWaalsContact O-CA 3.27Å; L96-V124 WeakPolarHBondContact O-CA 3.43Å; L96-T125 PolarHBondContact O-N 3.25Å
97S98.8Very high97Very high0 Ų044.3 Ų44.30%020%0.199CC..EExtended strand (participates in β ladder)trans-127.5148.7172.571.40000112.4I6 H7 W8 S20 S24 T125I6-S97 PolarHBondContact O-N 3.44Å; H7-S97 CarbonylContact C-O 3.51Å; H7-S97 WeakPolarHBondContact CA-O 3.4Å; H7-S97 PolarHBondContact ND1-O 2.91Å; H7-S97 PolarHBondContact ND1-OG 3.43Å; W8-S97 PolarHBondContact N-O 3.16Å; S20-S97 WeakPolarHBondContact O-CB 3.37Å; S20-S97 PolarHBondContact O-OG 2.91Å; S24-S97 VanDerWaalsContact CB-CB 3.45Å; S24-S97 WeakPolarHBondContact CB-OG 3.3Å; S24-S97 PolarHBondContact OG-OG 3.49Å; S97-T125 WeakPolarHBondContact CA-O 3.48Å
98Y98.8Very high96.8Very high0 Ų051 Ų510%023%0.23CC..EExtended strand (participates in β ladder)trans-160.4159.7173.650-92.8000111.5W8 S20 L96 D110 K114 V124 T125 V126W8-Y98 AromaticContact CE3-CD1 3.99Å; W8-Y98 HydrophobicContact CE3-CD1 3.99Å; W8-Y98 HydrophobicContact CE3-CG 4.23Å; W8-Y98 WeakPolarHBondContact O-CB 3.37Å; S20-Y98 WeakPolarHBondContact CB-O 3.44Å; S20-Y98 VanDerWaalsContact OG-C 3.27Å; S20-Y98 PolarHBondContact OG-O 2.7Å; L96-Y98 HydrophobicContact CD1-CD1 4.45Å; L96-Y98 HydrophobicContact CD2-CD1 4.22Å; L96-Y98 HydrophobicContact CD2-CE1 3.99Å; L96-Y98 HydrophobicContact CG-CD1 4.01Å; L96-Y98 HydrophobicContact CG-CE1 4.15Å; Y98-D110 HydrophobicContact CE2-CB 4.32Å; Y98-D110 WeakPolarHBondContact CE2-OD2 3.46Å; Y98-K114 WeakPolarHBondContact OH-CE 3.49Å; Y98-K114 VanDerWaalsContact OH-CG 3.24Å; Y98-K114 WeakPolarHBondContact OH-CG 3.33Å; Y98-V124 HydrophobicContact CD1-CG1 4.42Å; Y98-V124 HydrophobicContact CE1-CG1 3.48Å; Y98-V124 VanDerWaalsContact CE1-CG1 3.48Å; Y98-T125 PolarHBondContact N-O 3.05Å; Y98-V126 HydrophobicContact CD2-CG1 4.13Å; Y98-V126 HydrophobicContact CD2-CG2 4.08Å; Y98-V126 HydrophobicContact CE1-CG2 4.18Å; Y98-V126 HydrophobicContact CE2-CB 4.35Å; Y98-V126 HydrophobicContact CE2-CG1 3.93Å; Y98-V126 HydrophobicContact CE2-CG2 3.46Å; Y98-V126 VanDerWaalsContact CE2-CG2 3.46Å; Y98-V126 WeakPolarHBondContact O-CA 3.37Å
99E98.6Very high96.7Very high14 Ų1452.8 Ų52.87%0.06524%0.237CC..EExtended strand (participates in β ladder)trans-71.8137.5172.2-178173.6-112.600110.5G12 R14 S129 H130G12-E99 WeakPolarHBondContact CA-OE2 3.26Å; G12-E99 PolarHBondContact N-OE2 3.23Å; G12-E99 VanDerWaalsContact N-OE2 3.12Å; R14-E99 IonicContact CZ-OE1 3.19Å; R14-E99 IonicContact NH1-OE1 2.63Å; R14-E99 IonicContact NH2-OE1 2.92Å; R14-E99 PolarHBondContact NH2-OE1 3.04Å; E99-S129 VanDerWaalsContact CD-OG 3.31Å; E99-S129 WeakPolarHBondContact CG-OG 3.41Å; E99-S129 VanDerWaalsContact OE1-CB 3.28Å; E99-S129 WeakPolarHBondContact OE1-CB 3.44Å; E99-S129 PolarHBondContact OE1-OG 2.67Å; E99-H130 HydrophobicContact CG-CB 4.21Å; E99-H130 PolarHBondContact OE1-N 3.13Å; E99-H130 VanDerWaalsContact OE1-N 3.09Å; E99-H130 IonicContact OE2-ND1 2.67Å
100Y98.4Very high96.6Very high47 Ų4744.6 Ų44.618%0.18420%0.201CC..  trans-61.3134.9176.5-178.9-118.5000111.4K107 V126 R127 I128Y100-K107 WeakPolarHBondContact OH-CD 3.47Å; Y100-V126 HydrophobicContact CD2-CG1 4.2Å; Y100-V126 HydrophobicContact CG-CG1 4.48Å; Y100-R127 PolarHBondContact N-O 3.5Å; Y100-I128 HydrophobicContact CD1-CD1 4.36Å; Y100-I128 HydrophobicContact CD1-CG1 3.94Å; Y100-I128 HydrophobicContact CG-CG1 4.23Å
101D97.6Very high96.6Very high11 Ų1141.8 Ų41.86%0.05920%0.198CC..  trans-116.3111.3176.1-168.66000109.1R10 K11 E103 K107 R109R10-D101 VanDerWaalsContact NH2-CB 3.31Å; R10-D101 IonicContact NH2-OD2 2.98Å; K11-D101 IonicContact NZ-OD1 3.41Å; K11-D101 PolarHBondContact NZ-OD1 3.24Å; D101-E103 VanDerWaalsContact C-N 3.31Å; D101-K107 VanDerWaalsContact O-CG 3.26Å; D101-K107 WeakPolarHBondContact O-CG 3.29Å; D101-R109 IonicContact OD2-NH2 2.69Å; D101-R109 PolarHBondContact OD2-NH2 2.86Å
102S97.3Very high96.6Very high4 Ų442 Ų423%0.02821%0.208CC..  trans-79.7-13-174.656.20000113.8K107 L135 Y297 T301S102-K107 WeakPolarHBondContact O-CE 3.37Å; S102-L135 WeakPolarHBondContact OG-CD1 3.23Å; S102-Y297 WeakPolarHBondContact OG-CD1 3.46Å; S102-T301 WeakPolarHBondContact O-CA 3.32Å; S102-T301 WeakPolarHBondContact O-CB 3.48Å; S102-T301 PolarHBondContact O-OG1 3.26Å
103E96.1Very high96.6Very high22 Ų2234.3 Ų34.310%0.10317%0.174CC..SBendtrans-69.4141-177.5-56.1-167.1123.100110.5K11 D101 F105 G106 K107 Y297 W390 S391K11-E103 IonicContact NZ-OE2 2.69Å; K11-E103 PolarHBondContact NZ-OE2 2.83Å; D101-E103 VanDerWaalsContact C-N 3.31Å; E103-F105 PolarHBondContact O-N 2.83Å; E103-G106 CarbonylContact O-C 3.48Å; E103-G106 WeakPolarHBondContact O-CA 3.3Å; E103-G106 PolarHBondContact O-N 2.85Å; E103-K107 PolarHBondContact O-N 2.88Å; E103-Y297 HydrophobicContact CG-CD1 4.32Å; E103-Y297 HydrophobicContact CG-CE1 3.92Å; E103-W390 HydrophobicContact CB-CE3 4.28Å; E103-W390 HydrophobicContact CG-CE3 4.39Å; E103-W390 WeakPolarHBondContact OE1-CB 3.24Å; E103-W390 PolarHBondContact OE1-N 3.46Å; E103-S391 WeakPolarHBondContact CG-OG 3.13Å; E103-S391 WeakPolarHBondContact OE1-CB 3.47Å; E103-S391 PolarHBondContact OE1-N 2.82Å; E103-S391 PolarHBondContact OE1-OG 3.02Å
104P94.3Very high96.6Very high18 Ų1838.4 Ų38.412%0.11719%0.192CC..Hα-helixtrans-53-47.5-170.9-28.735.1000114.5G106 K107 E108 A300 P304 W390P104-G106 VanDerWaalsContact C-N 3.3Å; P104-G106 PolarHBondContact O-N 3.48Å; P104-K107 PolarHBondContact O-N 3.4Å; P104-E108 PolarHBondContact O-N 3.24Å; P104-A300 WeakPolarHBondContact CG-O 3.5Å; P104-P304 HydrophobicContact CB-CB 4.26Å; P104-P304 HydrophobicContact CB-CG 4.39Å; P104-W390 HydrophobicContact CG-CH2 3.68Å; P104-W390 HydrophobicContact CG-CZ3 3.83Å
105F90.6Very high96.7Very high152 Ų15243.2 Ų43.267%0.66721%0.209SC*.Hα-helixtrans-62.4-39176.1178.3-99.5000112.1E103 E108 R109E103-F105 PolarHBondContact O-N 2.83Å; F105-E108 PolarHBondContact O-N 3.07Å; F105-R109 WeakPolarHBondContact O-CB 3.3Å; F105-R109 PolarHBondContact O-N 3.34Å
106G91.8Very high96.6Very high1 Ų142.8 Ų42.81%0.0121%0.211CC..Hα-helixtrans-61.8-43.7175.400000112.1E103 P104 D110E103-G106 CarbonylContact O-C 3.48Å; E103-G106 WeakPolarHBondContact O-CA 3.3Å; E103-G106 PolarHBondContact O-N 2.85Å; P104-G106 VanDerWaalsContact C-N 3.3Å; P104-G106 PolarHBondContact O-N 3.48Å; G106-D110 WeakPolarHBondContact O-CB 3.46Å; G106-D110 PolarHBondContact O-N 3.34Å
107K94.9Very high96.6Very high52 Ų5242.8 Ų42.823%0.22621%0.211CC..Hα-helixtrans-63.7-42.4176.7-67.8-169-64.6-175.30112.7Y100 D101 S102 E103 P104 D110 A111 T301 N302Y100-K107 WeakPolarHBondContact OH-CD 3.47Å; D101-K107 VanDerWaalsContact O-CG 3.26Å; D101-K107 WeakPolarHBondContact O-CG 3.29Å; S102-K107 WeakPolarHBondContact O-CE 3.37Å; E103-K107 PolarHBondContact O-N 2.88Å; P104-K107 PolarHBondContact O-N 3.4Å; K107-D110 PolarHBondContact O-N 2.9Å; K107-A111 WeakPolarHBondContact O-CB 3.3Å; K107-A111 PolarHBondContact O-N 2.92Å; K107-T301 WeakPolarHBondContact CE-O 3.24Å; K107-T301 VanDerWaalsContact NZ-C 3.34Å; K107-T301 PolarHBondContact NZ-O 3.48Å; K107-T301 PolarHBondContact NZ-OG1 2.9Å; K107-N302 PolarHBondContact NZ-OD1 3.36Å
108E94.8Very high96.6Very high146 Ų14647.2 Ų47.268%0.68224%0.242SC*.Hα-helixtrans-64.2-48.7178.2-174.7176.2-176.700111.6P104 F105 D110 A111 A112P104-E108 PolarHBondContact O-N 3.24Å; F105-E108 PolarHBondContact O-N 3.07Å; E108-D110 VanDerWaalsContact C-N 3.3Å; E108-D110 PolarHBondContact O-N 3.43Å; E108-A111 PolarHBondContact O-N 3.16Å; E108-A112 PolarHBondContact O-N 2.91Å; E108-A112 VanDerWaalsContact O-N 3.1Å
109R94.8Very high96.5Very high49 Ų4953.4 Ų53.419%0.18527%0.271CS..Hα-helixtrans-54.5-48.1173.2177.1-162.563.4-146.1-23110.8W8 R10 D101 F105 A111 A112 I113W8-R109 HydrophobicContact CH2-CG 4.35Å; R10-R109 VanDerWaalsContact CZ-CZ 3.47Å; D101-R109 IonicContact OD2-NH2 2.69Å; D101-R109 PolarHBondContact OD2-NH2 2.86Å; F105-R109 WeakPolarHBondContact O-CB 3.3Å; F105-R109 PolarHBondContact O-N 3.34Å; R109-A111 VanDerWaalsContact C-N 3.34Å; R109-A111 PolarHBondContact O-N 3.32Å; R109-A112 WeakPolarHBondContact O-CB 3.43Å; R109-A112 PolarHBondContact O-N 3.49Å; R109-I113 WeakPolarHBondContact O-CG1 3.44Å; R109-I113 PolarHBondContact O-N 3.45Å
110D96.6Very high96.5Very high6 Ų655.3 Ų55.33%0.03229%0.289CS..Hα-helixtrans-66.8-36.3-176.2-69.66.1000112.5R10 Y98 G106 K107 E108 A112 I113 K114R10-D110 IonicContact CZ-OD1 2.66Å; R10-D110 IonicContact CZ-OD2 3.17Å; R10-D110 IonicContact NH1-OD1 2.67Å; R10-D110 PolarHBondContact NH1-OD1 2.97Å; R10-D110 IonicContact NH1-OD2 3.42Å; R10-D110 IonicContact NH2-OD1 3.77Å; R10-D110 PolarHBondContact NH2-OD1 2.81Å; R10-D110 IonicContact NH2-OD2 2.77Å; R10-D110 PolarHBondContact NH2-OD2 2.94Å; Y98-D110 HydrophobicContact CE2-CB 4.32Å; Y98-D110 WeakPolarHBondContact CE2-OD2 3.46Å; G106-D110 WeakPolarHBondContact O-CB 3.46Å; G106-D110 PolarHBondContact O-N 3.34Å; K107-D110 PolarHBondContact O-N 2.9Å; E108-D110 VanDerWaalsContact C-N 3.3Å; E108-D110 PolarHBondContact O-N 3.43Å; D110-A112 VanDerWaalsContact C-N 3.33Å; D110-I113 PolarHBondContact O-N 3.15Å; D110-K114 WeakPolarHBondContact O-CB 3.35Å; D110-K114 VanDerWaalsContact O-CG 3.31Å; D110-K114 WeakPolarHBondContact O-CG 3.44Å; D110-K114 PolarHBondContact O-N 3.18Å
111A97.5Very high96.4Very high61 Ų6156.1 Ų56.150%0.50431%0.312SS..Hα-helixtrans-61.5-42.6173.100000111.3K107 E108 R109 K114 K115K107-A111 WeakPolarHBondContact O-CB 3.3Å; K107-A111 PolarHBondContact O-N 2.92Å; E108-A111 PolarHBondContact O-N 3.16Å; R109-A111 VanDerWaalsContact C-N 3.34Å; R109-A111 PolarHBondContact O-N 3.32Å; A111-K114 PolarHBondContact O-N 3.02Å; A111-K115 PolarHBondContact O-N 3.33Å; A111-K115 VanDerWaalsContact O-N 3.08Å
112A97.4Very high96.5Very high40 Ų4056 Ų5633%0.33131%0.311SS..Hα-helixtrans-62.8-44.6174.600000112T81 E108 R109 D110 K115 L116T81-A112 HydrophobicContact CG2-CB 4.46Å; E108-A112 PolarHBondContact O-N 2.91Å; E108-A112 VanDerWaalsContact O-N 3.1Å; R109-A112 WeakPolarHBondContact O-CB 3.43Å; R109-A112 PolarHBondContact O-N 3.49Å; D110-A112 VanDerWaalsContact C-N 3.33Å; A112-K115 WeakPolarHBondContact O-CB 3.35Å; A112-K115 PolarHBondContact O-N 3.46Å; A112-L116 WeakPolarHBondContact O-CG 3.28Å; A112-L116 PolarHBondContact O-N 3.19Å; A112-L116 VanDerWaalsContact O-N 3.09Å
113I98Very high96.5Very high0 Ų061 Ų610%033%0.334CS..Hα-helixtrans-66.3-39.1177.6-61-44.5000112W8 P80 T81 F84 L96 R109 D110 K115 L116 A117W8-I113 HydrophobicContact CH2-CG1 4.16Å; W8-I113 HydrophobicContact CZ3-CB 4.39Å; W8-I113 HydrophobicContact CZ3-CG1 3.99Å; W8-I113 HydrophobicContact CZ3-CG2 4.19Å; P80-I113 HydrophobicContact CB-CD1 3.95Å; P80-I113 HydrophobicContact CB-CG1 4.3Å; T81-I113 HydrophobicContact CG2-CD1 3.97Å; F84-I113 HydrophobicContact CD2-CD1 3.79Å; F84-I113 HydrophobicContact CD2-CG1 4.09Å; F84-I113 HydrophobicContact CD2-CG2 3.74Å; F84-I113 HydrophobicContact CE2-CD1 4.47Å; F84-I113 HydrophobicContact CE2-CG1 4.35Å; F84-I113 HydrophobicContact CE2-CG2 3.97Å; F84-I113 HydrophobicContact CG-CG2 4.31Å; L96-I113 HydrophobicContact CD2-CG2 3.78Å; R109-I113 WeakPolarHBondContact O-CG1 3.44Å; R109-I113 PolarHBondContact O-N 3.45Å; D110-I113 PolarHBondContact O-N 3.15Å; I113-K115 VanDerWaalsContact C-N 3.28Å; I113-K115 PolarHBondContact O-N 3.28Å; I113-L116 HydrophobicContact CD1-CD1 4.03Å; I113-L116 PolarHBondContact O-N 3.26Å; I113-A117 WeakPolarHBondContact O-CB 3.39Å; I113-A117 PolarHBondContact O-N 2.96Å
114K98.1Very high96.6Very high94 Ų9462 Ų6241%0.40934%0.342SS..Hα-helixtrans-59.6-39.9174-77.4177.7-178.1-178.20111.9Y98 D110 A111 A117 S118 V124Y98-K114 WeakPolarHBondContact OH-CE 3.49Å; Y98-K114 VanDerWaalsContact OH-CG 3.24Å; Y98-K114 WeakPolarHBondContact OH-CG 3.33Å; D110-K114 WeakPolarHBondContact O-CB 3.35Å; D110-K114 VanDerWaalsContact O-CG 3.31Å; D110-K114 WeakPolarHBondContact O-CG 3.44Å; D110-K114 PolarHBondContact O-N 3.18Å; A111-K114 PolarHBondContact O-N 3.02Å; K114-A117 PolarHBondContact O-N 3.45Å; K114-S118 WeakPolarHBondContact O-CB 3.39Å; K114-S118 PolarHBondContact O-N 2.81Å; K114-V124 HydrophobicContact CG-CG1 4.23Å
115K98.2Very high96.8Very high138 Ų13862.6 Ų62.660%0.635%0.345SS*.Hα-helixtrans-62.4-49.8175.5-176.5-178.7172-1740111.2A111 A112 I113 A117 S118 E119A111-K115 PolarHBondContact O-N 3.33Å; A111-K115 VanDerWaalsContact O-N 3.08Å; A112-K115 WeakPolarHBondContact O-CB 3.35Å; A112-K115 PolarHBondContact O-N 3.46Å; I113-K115 VanDerWaalsContact C-N 3.28Å; I113-K115 PolarHBondContact O-N 3.28Å; K115-A117 VanDerWaalsContact C-N 3.32Å; K115-A117 PolarHBondContact O-N 3.35Å; K115-S118 WeakPolarHBondContact O-CB 3.37Å; K115-S118 PolarHBondContact O-N 2.86Å; K115-E119 WeakPolarHBondContact CE-OE1 3.33Å; K115-E119 WeakPolarHBondContact O-CG 3.39Å; K115-E119 PolarHBondContact O-N 2.68Å
116L98.1Very high97.2Very high44 Ų4457.2 Ų57.223%0.2333%0.325CS..Hα-helixtrans-61-39.2177.5-66.5172.1000112.6P85 A112 I113 E119 A120P85-L116 HydrophobicContact CG-CD1 4.06Å; P85-L116 HydrophobicContact CG-CD2 4.27Å; A112-L116 WeakPolarHBondContact O-CG 3.28Å; A112-L116 PolarHBondContact O-N 3.19Å; A112-L116 VanDerWaalsContact O-N 3.09Å; I113-L116 HydrophobicContact CD1-CD1 4.03Å; I113-L116 PolarHBondContact O-N 3.26Å; L116-E119 PolarHBondContact O-N 3.32Å; L116-A120 WeakPolarHBondContact O-CB 3.47Å; L116-A120 PolarHBondContact O-N 3.06Å; L116-A120 VanDerWaalsContact O-N 3.13Å
117A98.1Very high97.5Very high0 Ų062.6 Ų62.60%035%0.345CS..Hα-helixtrans-63.8-45.4175.700000111.5F88 I113 K114 K115 E119 A120 G121 V122 V124F88-A117 HydrophobicContact CE2-CB 4.07Å; F88-A117 HydrophobicContact CZ-CB 4.06Å; I113-A117 WeakPolarHBondContact O-CB 3.39Å; I113-A117 PolarHBondContact O-N 2.96Å; K114-A117 PolarHBondContact O-N 3.45Å; K115-A117 VanDerWaalsContact C-N 3.32Å; K115-A117 PolarHBondContact O-N 3.35Å; A117-E119 PolarHBondContact O-N 3.07Å; A117-A120 CarbonylContact O-C 3.58Å; A117-A120 PolarHBondContact O-N 2.63Å; A117-A120 VanDerWaalsContact O-N 3.13Å; A117-G121 PolarHBondContact O-N 2.92Å; A117-G121 VanDerWaalsContact O-N 3.07Å; A117-V122 HydrophobicContact CB-CB 4Å; A117-V122 HydrophobicContact CB-CG1 4.3Å; A117-V122 WeakPolarHBondContact O-CB 3.26Å; A117-V122 PolarHBondContact O-N 3.44Å; A117-V124 HydrophobicContact CB-CG2 3.41Å; A117-V124 VanDerWaalsContact CB-CG2 3.41Å
118S97.9Very high97.6Very high92 Ų9262.4 Ų62.464%0.64335%0.346SS*.Hα-helixtrans-59.5-44.9176-173.50000112.2K114 K115 A120 G121K114-S118 WeakPolarHBondContact O-CB 3.39Å; K114-S118 PolarHBondContact O-N 2.81Å; K115-S118 WeakPolarHBondContact O-CB 3.37Å; K115-S118 PolarHBondContact O-N 2.86Å; S118-A120 PolarHBondContact O-N 2.68Å; S118-G121 PolarHBondContact O-N 2.88Å
119E97.6Very high97.8Very high131 Ų13155.5 Ų55.561%0.61231%0.313SS*.Hα-helixtrans-60.9-31.2176.1-71.4170.1-176.200112.7K115 L116 A117K115-E119 WeakPolarHBondContact CE-OE1 3.33Å; K115-E119 WeakPolarHBondContact O-CG 3.39Å; K115-E119 PolarHBondContact O-N 2.68Å; L116-E119 PolarHBondContact O-N 3.32Å; A117-E119 PolarHBondContact O-N 3.07Å
120A97.6Very high98Very high54 Ų5453.5 Ų53.545%0.44631%0.306SS..THydrogen-bonded Turntrans-89-0.4176.500000114.2F88 L116 A117 S118 V122F88-A120 HydrophobicContact CB-CB 4.22Å; F88-A120 HydrophobicContact CD2-CB 3.75Å; F88-A120 HydrophobicContact CG-CB 4.34Å; L116-A120 WeakPolarHBondContact O-CB 3.47Å; L116-A120 PolarHBondContact O-N 3.06Å; L116-A120 VanDerWaalsContact O-N 3.13Å; A117-A120 CarbonylContact O-C 3.58Å; A117-A120 PolarHBondContact O-N 2.63Å; A117-A120 VanDerWaalsContact O-N 3.13Å; S118-A120 PolarHBondContact O-N 2.68Å; A120-V122 VanDerWaalsContact C-N 3.32Å; A120-V122 HydrophobicContact CB-CG2 4.01Å
121G97.6Very high98.1Very high64 Ų6453.4 Ų53.466%0.6631%0.306SS*.THydrogen-bonded Turntrans69.527-175.800000114.1A117 S118A117-G121 PolarHBondContact O-N 2.92Å; A117-G121 VanDerWaalsContact O-N 3.07Å; S118-G121 PolarHBondContact O-N 2.88Å
122V98.5Very high98.1Very high8 Ų850.9 Ų50.95%0.04828%0.284CS..  trans-95122.2179.11780000109.9F88 I93 L96 A117 A120F88-V122 HydrophobicContact CB-CG2 4.27Å; F88-V122 HydrophobicContact CD1-CG2 3.98Å; F88-V122 HydrophobicContact CD2-CG2 4.14Å; F88-V122 HydrophobicContact CE1-CG1 4.19Å; F88-V122 HydrophobicContact CE1-CG2 4.31Å; F88-V122 HydrophobicContact CE2-CG2 4.47Å; F88-V122 HydrophobicContact CG-CG2 3.88Å; F88-V122 HydrophobicContact CZ-CG1 4.44Å; I93-V122 HydrophobicContact CG2-CG1 4.06Å; I93-V122 HydrophobicContact CG2-CG2 4.43Å; I93-V122 WeakPolarHBondContact O-CG2 3.36Å; L96-V122 HydrophobicContact CB-CG1 3.84Å; A117-V122 HydrophobicContact CB-CB 4Å; A117-V122 HydrophobicContact CB-CG1 4.3Å; A117-V122 WeakPolarHBondContact O-CB 3.26Å; A117-V122 PolarHBondContact O-N 3.44Å; A120-V122 VanDerWaalsContact C-N 3.32Å; A120-V122 HydrophobicContact CB-CG2 4.01Å
123E98.1Very high98.1Very high109 Ų10950.1 Ų50.151%0.50927%0.272SS..EExtended strand (participates in β ladder)trans-70136.4173-178.5-173.1-178.800110.4T94 R95 L96T94-E123 PolarHBondContact O-N 3Å; R95-E123 CarbonylContact C-O 3.57Å; R95-E123 VanDerWaalsContact CA-O 3.31Å; R95-E123 WeakPolarHBondContact CA-O 3.15Å; R95-E123 HydrophobicContact CG-CB 4.25Å; R95-E123 IonicContact NE-OE2 2.62Å; R95-E123 PolarHBondContact NE-OE2 2.98Å; L96-E123 PolarHBondContact N-O 3.5Å
124V98.5Very high98.1Very high43 Ų4352.2 Ų52.226%0.26128%0.284SS..EExtended strand (participates in β ladder)trans-116.3120.2-178.1-174.40000111.5L96 Y98 K114 A117 V126L96-V124 HydrophobicContact CB-CG2 4.48Å; L96-V124 CarbonylContact O-C 3.56Å; L96-V124 VanDerWaalsContact O-CA 3.27Å; L96-V124 WeakPolarHBondContact O-CA 3.43Å; Y98-V124 HydrophobicContact CD1-CG1 4.42Å; Y98-V124 HydrophobicContact CE1-CG1 3.48Å; Y98-V124 VanDerWaalsContact CE1-CG1 3.48Å; K114-V124 HydrophobicContact CG-CG1 4.23Å; A117-V124 HydrophobicContact CB-CG2 3.41Å; A117-V124 VanDerWaalsContact CB-CG2 3.41Å; V124-V126 HydrophobicContact CG1-CG2 3.87Å
125T98.3Very high98.1Very high30 Ų3047.9 Ų47.918%0.18427%0.265CS..EExtended strand (participates in β ladder)trans-106.3121.5175.9-57.50000110.7D23 L96 S97 Y98D23-T125 HydrophobicContact CB-CG2 4.2Å; L96-T125 PolarHBondContact O-N 3.25Å; S97-T125 WeakPolarHBondContact CA-O 3.48Å; Y98-T125 PolarHBondContact N-O 3.05Å
126V98.3Very high98Very high40 Ų4043.8 Ų43.824%0.24225%0.25CC..EExtended strand (participates in β ladder)trans-126.5131.2179.3-170.50000109.4Y98 Y100 V124Y98-V126 HydrophobicContact CD2-CG1 4.13Å; Y98-V126 HydrophobicContact CD2-CG2 4.08Å; Y98-V126 HydrophobicContact CE1-CG2 4.18Å; Y98-V126 HydrophobicContact CE2-CB 4.35Å; Y98-V126 HydrophobicContact CE2-CG1 3.93Å; Y98-V126 HydrophobicContact CE2-CG2 3.46Å; Y98-V126 VanDerWaalsContact CE2-CG2 3.46Å; Y98-V126 WeakPolarHBondContact O-CA 3.37Å; Y100-V126 HydrophobicContact CD2-CG1 4.2Å; Y100-V126 HydrophobicContact CG-CG1 4.48Å; V124-V126 HydrophobicContact CG1-CG2 3.87Å
127R98.3Very high98Very high114 Ų11446.5 Ų46.543%0.4326%0.259SS..EExtended strand (participates in β ladder)trans-128.9149.2176.5-59.8-65.4-160.51401.5110.8P19 S20 D23 Y100P19-R127 HydrophobicContact CB-CB 4.02Å; P19-R127 HydrophobicContact CB-CG 4.1Å; P19-R127 HydrophobicContact CG-CB 3.74Å; P19-R127 HydrophobicContact CG-CG 4.39Å; S20-R127 VanDerWaalsContact OG-CB 3.28Å; S20-R127 WeakPolarHBondContact OG-CB 3.38Å; S20-R127 PolarHBondContact OG-N 2.73Å; D23-R127 IonicContact OD1-NH2 3.41Å; D23-R127 IonicContact OD2-CZ 3.37Å; D23-R127 IonicContact OD2-NE 2.85Å; D23-R127 PolarHBondContact OD2-NE 3.3Å; D23-R127 IonicContact OD2-NH2 3.24Å; D23-R127 PolarHBondContact OD2-NH2 3.21Å; Y100-R127 PolarHBondContact N-O 3.5Å
128I98.4Very high97.9Very high48 Ų4846.5 Ų46.525%0.24626%0.259CS..  trans-85.8122.3174.7-56.3177.2000108.1Y100 T131 D134 R263Y100-I128 HydrophobicContact CD1-CD1 4.36Å; Y100-I128 HydrophobicContact CD1-CG1 3.94Å; Y100-I128 HydrophobicContact CG-CG1 4.23Å; I128-T131 WeakPolarHBondContact CG2-OG1 3.34Å; I128-D134 HydrophobicContact CD1-CB 3.84Å; I128-R263 PolarHBondContact O-NH1 3.29Å
129S98.2Very high97.9Very high0 Ų042.4 Ų42.40%023%0.23CC..  trans-152.4-6.4174.650.70000114.5R14 E99 T131R14-S129 PolarHBondContact NH2-O 3.07Å; E99-S129 VanDerWaalsContact CD-OG 3.31Å; E99-S129 WeakPolarHBondContact CG-OG 3.41Å; E99-S129 VanDerWaalsContact OE1-CB 3.28Å; E99-S129 WeakPolarHBondContact OE1-CB 3.44Å; E99-S129 PolarHBondContact OE1-OG 2.67Å; S129-T131 VanDerWaalsContact C-N 3.34Å
130H98.5Very high97.9Very high7 Ų742.8 Ų42.83%0.03223%0.232CC..SBendtrans-78-22.6173.4-161.956.2000112.2E99 R256 C262 R293 Y297E99-H130 HydrophobicContact CG-CB 4.21Å; E99-H130 PolarHBondContact OE1-N 3.13Å; E99-H130 VanDerWaalsContact OE1-N 3.09Å; E99-H130 IonicContact OE2-ND1 2.67Å; H130-R256 PolarHBondContact CE1-O 3.49Å; H130-R256 VanDerWaalsContact CE1-O 3.29Å; H130-C262 PolarHBondContact O-SG 3.31Å; H130-R293 PolarHBondContact CD2-NH2 3.16Å; H130-R293 PolarHBondContact CE1-NH2 3.09Å; H130-R293 PolarHBondContact ND1-NH2 2.97Å; H130-R293 PolarHBondContact NE2-NH2 2.88Å; H130-R293 VanDerWaalsContact O-CZ 3.23Å; H130-R293 PolarHBondContact O-NH1 2.9Å; H130-R293 PolarHBondContact O-NH2 2.84Å; H130-Y297 AromaticContact CD2-CZ 3.83Å; H130-Y297 PolarHBondContact CD2-OH 3.3Å; H130-Y297 AromaticContact NE2-CZ 3.81Å; H130-Y297 PolarHBondContact NE2-OH 3.08Å
131T98.5Very high97.8Very high5 Ų544.8 Ų44.83%0.03124%0.235CC..SBendtrans-121156.9177.452.40000110.8I128 S129 Y133 L135 C262 E294 Y297I128-T131 WeakPolarHBondContact CG2-OG1 3.34Å; S129-T131 VanDerWaalsContact C-N 3.34Å; T131-Y133 VanDerWaalsContact C-N 3.32Å; T131-Y133 PolarHBondContact OG1-O 2.65Å; T131-L135 HydrophobicContact CG2-CD1 4.32Å; T131-L135 HydrophobicContact CG2-CD2 4.22Å; T131-C262 VanDerWaalsContact C-SG 3.53Å; T131-E294 WeakPolarHBondContact CA-OE1 3.13Å; T131-E294 VanDerWaalsContact CB-OE1 3.28Å; T131-E294 WeakPolarHBondContact CB-OE1 3.34Å; T131-E294 WeakPolarHBondContact CB-OE2 3.27Å; T131-Y297 HydrophobicContact CG2-CD2 4.25Å; T131-Y297 HydrophobicContact CG2-CG 4.2Å
132L98.3Very high97.8Very high8 Ų843.3 Ų43.34%0.04221%0.212CC..SBendtrans-68.5-34.8177.3-65.9178000111.8V163 C262 R263 Y266 L290 L291 E294L132-V163 HydrophobicContact CB-CG1 4.39Å; L132-V163 HydrophobicContact CB-CG2 4.42Å; L132-V163 HydrophobicContact CD2-CG1 4.14Å; L132-C262 HydrophobicContact CD2-CB 4.17Å; L132-C262 WeakPolarHBondContact CD2-O 3.44Å; L132-R263 HydrophobicContact CD2-CG 4.08Å; L132-Y266 HydrophobicContact CD1-CD2 3.98Å; L132-Y266 HydrophobicContact CD2-CD2 4.42Å; L132-Y266 HydrophobicContact CD2-CG 4.16Å; L132-L290 HydrophobicContact CD1-CB 4.13Å; L132-L290 HydrophobicContact CD1-CD1 4.44Å; L132-L291 HydrophobicContact CD1-CD2 4.47Å; L132-E294 HydrophobicContact CB-CG 4.31Å; L132-E294 HydrophobicContact CD1-CG 4.23Å; L132-E294 HydrophobicContact CG-CG 4.35Å; L132-E294 VanDerWaalsContact N-CD 3.31Å; L132-E294 PolarHBondContact N-OE1 2.87Å; L132-E294 PolarHBondContact N-OE2 3.36Å
133Y97.6Very high97.7Very high23 Ų2346.3 Ų46.39%0.0924%0.244CC..SBendtrans-123.3160.8-174.3-59.4-78.3000111.6T131 L135 I157 M160 V163 L291 E294T131-Y133 VanDerWaalsContact C-N 3.32Å; T131-Y133 PolarHBondContact OG1-O 2.65Å; Y133-L135 PolarHBondContact O-N 3.01Å; Y133-I157 HydrophobicContact CD2-CG2 4.38Å; Y133-I157 HydrophobicContact CE2-CB 4.37Å; Y133-I157 HydrophobicContact CE2-CG2 4.25Å; Y133-M160 HydrophobicContact CD1-CE 4.02Å; Y133-M160 HydrophobicContact CD1-SD 4.21Å; Y133-M160 HydrophobicContact CG-CE 4.38Å; Y133-V163 HydrophobicContact CE1-CG2 3.76Å; Y133-V163 HydrophobicContact CE2-CG2 4.36Å; Y133-L291 HydrophobicContact CE2-CD2 4.37Å; Y133-E294 PolarHBondContact N-OE2 3.37Å
134D97.6Very high97.5Very high45 Ų4543 Ų4324%0.24124%0.239CC..  trans-73.5111.7161.5-175.5-14.8000109I128 D136 K137 I138I128-D134 HydrophobicContact CD1-CB 3.84Å; D134-D136 VanDerWaalsContact C-N 3.3Å; D134-D136 PolarHBondContact O-N 3.03Å; D134-D136 PolarHBondContact OD1-N 3.12Å; D134-D136 VanDerWaalsContact OD1-N 3.11Å; D134-K137 HydrophobicContact CB-CB 4.32Å; D134-K137 HydrophobicContact CB-CD 3.98Å; D134-K137 HydrophobicContact CB-CG 4.06Å; D134-K137 PolarHBondContact O-N 3.14Å; D134-K137 WeakPolarHBondContact OD2-CE 3.32Å; D134-I138 PolarHBondContact O-N 2.93Å
135L97.9Very high97.3Very high2 Ų247.6 Ų47.61%0.0126%0.258CS..Hα-helixtrans-69.8-30.3-173.4-49-177.5000112S102 T131 Y133 K137 I138 I139S102-L135 WeakPolarHBondContact OG-CD1 3.23Å; T131-L135 HydrophobicContact CG2-CD1 4.32Å; T131-L135 HydrophobicContact CG2-CD2 4.22Å; Y133-L135 PolarHBondContact O-N 3.01Å; L135-K137 VanDerWaalsContact C-N 3.32Å; L135-I138 HydrophobicContact CD2-CD1 4.31Å; L135-I138 WeakPolarHBondContact O-CB 3.22Å; L135-I138 PolarHBondContact O-N 3.41Å; L135-I138 VanDerWaalsContact O-N 3.17Å; L135-I139 WeakPolarHBondContact O-CG1 3.31Å; L135-I139 PolarHBondContact O-N 3.28Å; L135-I139 VanDerWaalsContact O-N 3.13Å
136D96.8Very high97.1Very high53 Ų5347 Ų4728%0.28326%0.255SS..Hα-helixtrans-68.6-37.3-179.5-66.2-33.7000109.8D134 I138 I139 E140D134-D136 VanDerWaalsContact C-N 3.3Å; D134-D136 PolarHBondContact O-N 3.03Å; D134-D136 PolarHBondContact OD1-N 3.12Å; D134-D136 VanDerWaalsContact OD1-N 3.11Å; D136-I138 VanDerWaalsContact C-N 3.32Å; D136-I138 PolarHBondContact O-N 2.99Å; D136-I139 WeakPolarHBondContact O-CB 3.41Å; D136-I139 PolarHBondContact O-N 2.81Å; D136-I139 VanDerWaalsContact O-N 3.13Å; D136-E140 WeakPolarHBondContact O-CG 3.3Å; D136-E140 PolarHBondContact O-N 3.05Å
137K96.9Very high96.9Very high100 Ų10045.2 Ų45.244%0.43524%0.244SC..Hα-helixtrans-61.6-36.6171.1-66.7-175.6-173.81760113.1D134 L135 I139 E140 L141 M160D134-K137 HydrophobicContact CB-CB 4.32Å; D134-K137 HydrophobicContact CB-CD 3.98Å; D134-K137 HydrophobicContact CB-CG 4.06Å; D134-K137 PolarHBondContact O-N 3.14Å; D134-K137 WeakPolarHBondContact OD2-CE 3.32Å; L135-K137 VanDerWaalsContact C-N 3.32Å; K137-I139 VanDerWaalsContact C-N 3.3Å; K137-I139 PolarHBondContact O-N 3.43Å; K137-E140 PolarHBondContact O-N 3.37Å; K137-L141 WeakPolarHBondContact O-CB 3.45Å; K137-L141 VanDerWaalsContact O-CG 3.29Å; K137-L141 WeakPolarHBondContact O-CG 3.36Å; K137-L141 PolarHBondContact O-N 2.83Å; K137-M160 HydrophobicContact CB-CE 4.1Å
138I97.6Very high96.7Very high0 Ų043.5 Ų43.50%024%0.243CC..Hα-helixtrans-63.1-42.2175.4-60.9174.3000110.2D134 L135 D136 N142 P147 F153 L156 I157 M160 T298D134-I138 PolarHBondContact O-N 2.93Å; L135-I138 HydrophobicContact CD2-CD1 4.31Å; L135-I138 WeakPolarHBondContact O-CB 3.22Å; L135-I138 PolarHBondContact O-N 3.41Å; L135-I138 VanDerWaalsContact O-N 3.17Å; D136-I138 VanDerWaalsContact C-N 3.32Å; D136-I138 PolarHBondContact O-N 2.99Å; I138-N142 PolarHBondContact O-N 3.33Å; I138-P147 HydrophobicContact CG2-CG 4.21Å; I138-F153 HydrophobicContact CD1-CE2 3.84Å; I138-F153 HydrophobicContact CG2-CD2 4.3Å; I138-F153 HydrophobicContact CG2-CE2 4.43Å; I138-L156 HydrophobicContact CG2-CB 4.47Å; I138-L156 HydrophobicContact CG2-CD1 4.19Å; I138-I157 HydrophobicContact CD1-CG2 4.17Å; I138-M160 HydrophobicContact CD1-SD 4.24Å; I138-M160 HydrophobicContact CG1-CE 3.77Å; I138-M160 HydrophobicContact CG1-SD 3.48Å; I138-M160 WeakPolarHBondContact CG1-SD 3.27Å; I138-T298 HydrophobicContact CB-CG2 4.05Å; I138-T298 HydrophobicContact CG2-CG2 3.8Å
139I97.4Very high96.5Very high7 Ų744.8 Ų44.84%0.03625%0.253CS..Hα-helixtrans-68.4-43.1-179.6-67.2169.6000110.6L135 D136 K137 N142 G143 G144 T298 T301L135-I139 WeakPolarHBondContact O-CG1 3.31Å; L135-I139 PolarHBondContact O-N 3.28Å; L135-I139 VanDerWaalsContact O-N 3.13Å; D136-I139 WeakPolarHBondContact O-CB 3.41Å; D136-I139 PolarHBondContact O-N 2.81Å; D136-I139 VanDerWaalsContact O-N 3.13Å; K137-I139 VanDerWaalsContact C-N 3.3Å; K137-I139 PolarHBondContact O-N 3.43Å; I139-N142 CarbonylContact O-C 3.54Å; I139-N142 WeakPolarHBondContact O-CA 3.41Å; I139-N142 PolarHBondContact O-N 3.25Å; I139-G143 PolarHBondContact O-N 2.9Å; I139-G144 VanDerWaalsContact CG2-C 3.42Å; I139-G144 WeakPolarHBondContact O-CA 3.42Å; I139-G144 PolarHBondContact O-N 2.89Å; I139-T298 HydrophobicContact CD1-CG2 4.33Å; I139-T298 HydrophobicContact CG1-CG2 3.91Å; I139-T301 HydrophobicContact CD1-CG2 3.48Å; I139-T301 VanDerWaalsContact CD1-CG2 3.48Å
140E96.8Very high96.3Very high139 Ų13946.4 Ų46.465%0.6526%0.26SS*.Hα-helixtrans-57.9-48.8174.2-73.9173.2-177.500111.8D136 K137 N142 G143D136-E140 WeakPolarHBondContact O-CG 3.3Å; D136-E140 PolarHBondContact O-N 3.05Å; K137-E140 PolarHBondContact O-N 3.37Å; E140-N142 PolarHBondContact O-N 3.02Å; E140-N142 VanDerWaalsContact O-N 3.09Å; E140-G143 PolarHBondContact O-N 3.1Å
141L96.3Very high96Very high96 Ų9653.9 Ų53.950%0.50329%0.292SS..Hα-helixtrans-61.8-19.1176.1-73.1174.4000113.5K137 L156 M160K137-L141 WeakPolarHBondContact O-CB 3.45Å; K137-L141 VanDerWaalsContact O-CG 3.29Å; K137-L141 WeakPolarHBondContact O-CG 3.36Å; K137-L141 PolarHBondContact O-N 2.83Å; L141-L156 HydrophobicContact CB-CD2 4.13Å; L141-M160 HydrophobicContact CD1-CG 3.61Å; L141-M160 HydrophobicContact CD1-SD 4.39Å
142N97Very high95.8Very high33 Ų3358.5 Ų58.518%0.17631%0.309CS..THydrogen-bonded Turntrans-101.218.4175.9-161.253.2000113.3I138 I139 E140 Q145 R152 L156I138-N142 PolarHBondContact O-N 3.33Å; I139-N142 CarbonylContact O-C 3.54Å; I139-N142 WeakPolarHBondContact O-CA 3.41Å; I139-N142 PolarHBondContact O-N 3.25Å; E140-N142 PolarHBondContact O-N 3.02Å; E140-N142 VanDerWaalsContact O-N 3.09Å; N142-Q145 WeakPolarHBondContact CB-O 3.45Å; N142-Q145 PolarHBondContact ND2-O 3.46Å; N142-R152 PolarHBondContact OD1-NE 3.44Å; N142-R152 PolarHBondContact OD1-NH2 3.42Å; N142-L156 HydrophobicContact CB-CD1 3.67Å; N142-L156 HydrophobicContact CB-CD2 4.15Å
143G95.9Very high95.7Very high70 Ų7058.1 Ų58.172%0.72231%0.307SS*.THydrogen-bonded Turntrans78.932.2175.800000113.7I139 E140 Q145I139-G143 PolarHBondContact O-N 2.9Å; E140-G143 PolarHBondContact O-N 3.1Å; G143-Q145 VanDerWaalsContact C-N 3.34Å
144G94.7Very high95.6Very high40 Ų4059.5 Ų59.541%0.41231%0.314SS..SBendtrans79.613178.200000114.4I139I139-G144 VanDerWaalsContact CG2-C 3.42Å; I139-G144 WeakPolarHBondContact O-CA 3.42Å; I139-G144 PolarHBondContact O-N 2.89Å
145Q93.8Very high95.5Very high139 Ų13959.6 Ų59.665%0.6532%0.317SS*.SBendtrans-128.4141.6-179.3-66.1-64.3-46.300111.1N142 G143N142-Q145 WeakPolarHBondContact CB-O 3.45Å; N142-Q145 PolarHBondContact ND2-O 3.46Å; G143-Q145 VanDerWaalsContact C-N 3.34Å
146S94.8Very high95.4Very high19 Ų1959.7 Ų59.713%0.13332%0.317CS..  trans-65.1139.6177.3-59.50000111.8L148 T298S146-L148 PolarHBondContact O-N 3.16Å; S146-T298 WeakPolarHBondContact CB-O 3.47Å; S146-T298 PolarHBondContact OG-O 3.31Å
147P94.5Very high95.3Very high1 Ų157.5 Ų57.51%0.00631%0.305CS..  trans-67.5123.817527.2-32.7000110.3I138 R152 F153 L156 F295 T298I138-P147 HydrophobicContact CG2-CG 4.21Å; P147-R152 HydrophobicContact CB-CB 4.45Å; P147-R152 HydrophobicContact CB-CG 4.1Å; P147-F153 HydrophobicContact CB-CB 4.14Å; P147-F153 HydrophobicContact CG-CB 3.98Å; P147-F153 HydrophobicContact CG-CD2 3.93Å; P147-F153 HydrophobicContact CG-CG 4.47Å; P147-L156 HydrophobicContact CB-CD1 3.87Å; P147-L156 HydrophobicContact CG-CD1 4.02Å; P147-F295 WeakPolarHBondContact O-CE2 3.41Å; P147-T298 HydrophobicContact CG-CG2 4.23Å
148L93.6Very high95.1Very high78 Ų7856.6 Ų56.641%0.40831%0.312SS..  trans-966.7-179.1-56.2-178000113.9S146 I314 F405S146-L148 PolarHBondContact O-N 3.16Å; L148-I314 HydrophobicContact CD1-CG2 3.85Å; L148-I314 HydrophobicContact CD2-CB 4.46Å; L148-I314 HydrophobicContact CD2-CD1 4.39Å; L148-I314 HydrophobicContact CD2-CG2 3.75Å; L148-I314 HydrophobicContact CG-CG2 4.48Å; L148-F405 HydrophobicContact CD2-CE1 4.19Å; L148-F405 WeakPolarHBondContact O-CD1 3.11Å
149T94.1Very high94.7Very high75 Ų7565.4 Ų65.446%0.4635%0.345SS..SBendtrans-133140.217167.60000110K151 R152 F153T149-K151 VanDerWaalsContact C-N 3.26Å; T149-K151 PolarHBondContact O-N 2.98Å; T149-R152 PolarHBondContact O-N 2.72Å; T149-R152 VanDerWaalsContact O-N 3.12Å; T149-R152 WeakPolarHBondContact OG1-CB 3.42Å; T149-R152 PolarHBondContact OG1-N 2.91Å; T149-F153 PolarHBondContact O-N 3.48Å
150Y92.9Very high94.6Very high35 Ų3566.8 Ų66.814%0.13735%0.352CS..Hα-helixtrans-60.2-37.2-179.5-173.2-111.9000112.3R152 F153 Q154 L291 W292 F295Y150-R152 PolarHBondContact O-N 2.97Å; Y150-F153 HydrophobicContact CD2-CD1 4.28Å; Y150-F153 HydrophobicContact CE2-CD1 4.22Å; Y150-F153 WeakPolarHBondContact O-CB 3.03Å; Y150-F153 PolarHBondContact O-N 2.97Å; Y150-Q154 HydrophobicContact CD1-CG 4.25Å; Y150-Q154 VanDerWaalsContact CE1-CD 3.41Å; Y150-Q154 HydrophobicContact CE1-CG 3.95Å; Y150-Q154 WeakPolarHBondContact O-CG 3.34Å; Y150-Q154 PolarHBondContact O-N 3.01Å; Y150-L291 HydrophobicContact CE2-CB 4.17Å; Y150-L291 VanDerWaalsContact OH-CB 3.22Å; Y150-L291 WeakPolarHBondContact OH-CB 3.4Å; Y150-W292 AromaticContact CD1-CE2 3.98Å; Y150-W292 HydrophobicContact CD1-CH2 4.24Å; Y150-W292 AromaticContact CD1-CZ2 3.75Å; Y150-W292 HydrophobicContact CD1-CZ2 3.75Å; Y150-W292 AromaticContact CD2-CD2 3.77Å; Y150-W292 HydrophobicContact CD2-CD2 3.77Å; Y150-W292 AromaticContact CD2-CE2 3.92Å; Y150-W292 AromaticContact CD2-CE3 3.74Å; Y150-W292 HydrophobicContact CD2-CE3 3.74Å; Y150-W292 HydrophobicContact CD2-CG 4.44Å; Y150-W292 HydrophobicContact CD2-CH2 4.06Å; Y150-W292 HydrophobicContact CD2-CZ2 4.08Å; Y150-W292 AromaticContact CD2-CZ3 3.89Å; Y150-W292 HydrophobicContact CD2-CZ3 3.89Å; Y150-W292 AromaticContact CE1-CE2 4Å; Y150-W292 HydrophobicContact CE1-CZ2 4.21Å; Y150-W292 AromaticContact CE1-NE1 3.95Å; Y150-W292 AromaticContact CE2-CD2 3.75Å; Y150-W292 HydrophobicContact CE2-CD2 3.75Å; Y150-W292 AromaticContact CE2-CE2 3.96Å; Y150-W292 HydrophobicContact CE2-CE3 4.14Å; Y150-W292 AromaticContact CE2-CG 3.95Å; Y150-W292 HydrophobicContact CE2-CG 3.95Å; Y150-W292 HydrophobicContact CG-CD2 4.25Å; Y150-W292 AromaticContact CG-CE2 3.94Å; Y150-W292 HydrophobicContact CG-CE3 4.25Å; Y150-W292 AromaticContact CG-CH2 3.7Å; Y150-W292 HydrophobicContact CG-CH2 3.7Å; Y150-W292 AromaticContact CG-CZ2 3.67Å; Y150-W292 HydrophobicContact CG-CZ2 3.67Å; Y150-W292 AromaticContact CG-CZ3 4Å; Y150-W292 HydrophobicContact CG-CZ3 4Å; Y150-W292 AromaticContact CZ-CE2 3.99Å; Y150-W292 AromaticContact CZ-NE1 3.87Å; Y150-F295 HydrophobicContact CD2-CB 3.98Å; Y150-F295 HydrophobicContact CD2-CD1 4.45Å; Y150-F295 HydrophobicContact CD2-CD2 4.4Å; Y150-F295 HydrophobicContact CD2-CG 4.02Å; Y150-F295 HydrophobicContact CE2-CB 4.31Å
151K92.7Very high94.3Very high164 Ų16466.8 Ų66.871%0.71336%0.356SS*.Hα-helixtrans-63.5-41175.8-174.6177.2-179.5179.50112.5T149 Q154 T155T149-K151 VanDerWaalsContact C-N 3.26Å; T149-K151 PolarHBondContact O-N 2.98Å; K151-Q154 PolarHBondContact O-N 3.4Å; K151-T155 PolarHBondContact O-N 3.48Å; K151-T155 PolarHBondContact O-OG1 2.98Å
152R94.6Very high94.1Very high102 Ų10266.7 Ų66.739%0.38537%0.369SS..Hα-helixtrans-64.9-45.3175.7178.859.2177.3-177.21.2110.5N142 P147 T149 Y150 Q154 T155 L156N142-R152 PolarHBondContact OD1-NE 3.44Å; N142-R152 PolarHBondContact OD1-NH2 3.42Å; P147-R152 HydrophobicContact CB-CB 4.45Å; P147-R152 HydrophobicContact CB-CG 4.1Å; T149-R152 PolarHBondContact O-N 2.72Å; T149-R152 VanDerWaalsContact O-N 3.12Å; T149-R152 WeakPolarHBondContact OG1-CB 3.42Å; T149-R152 PolarHBondContact OG1-N 2.91Å; Y150-R152 PolarHBondContact O-N 2.97Å; R152-Q154 PolarHBondContact O-N 3.47Å; R152-T155 WeakPolarHBondContact O-CB 3.29Å; R152-T155 PolarHBondContact O-N 3.42Å; R152-T155 VanDerWaalsContact O-N 3.11Å; R152-L156 HydrophobicContact CG-CD1 4.25Å; R152-L156 WeakPolarHBondContact O-CG 3.28Å; R152-L156 PolarHBondContact O-N 3.41Å
153F96.6Very high94Very high0 Ų065.6 Ų65.60%036%0.364CS..Hα-helixtrans-54.9-49.6173.7171.8-95.4000112.1I138 P147 T149 Y150 T155 L156 I157 L291 E294 F295I138-F153 HydrophobicContact CD1-CE2 3.84Å; I138-F153 HydrophobicContact CG2-CD2 4.3Å; I138-F153 HydrophobicContact CG2-CE2 4.43Å; P147-F153 HydrophobicContact CB-CB 4.14Å; P147-F153 HydrophobicContact CG-CB 3.98Å; P147-F153 HydrophobicContact CG-CD2 3.93Å; P147-F153 HydrophobicContact CG-CG 4.47Å; T149-F153 PolarHBondContact O-N 3.48Å; Y150-F153 HydrophobicContact CD2-CD1 4.28Å; Y150-F153 HydrophobicContact CE2-CD1 4.22Å; Y150-F153 WeakPolarHBondContact O-CB 3.03Å; Y150-F153 PolarHBondContact O-N 2.97Å; F153-T155 VanDerWaalsContact C-N 3.26Å; F153-T155 PolarHBondContact O-N 3.08Å; F153-L156 PolarHBondContact O-N 3.01Å; F153-L156 VanDerWaalsContact O-N 3.08Å; F153-I157 HydrophobicContact CD1-CD1 4.41Å; F153-I157 HydrophobicContact CD2-CG2 4.43Å; F153-I157 HydrophobicContact CE1-CD1 3.89Å; F153-I157 HydrophobicContact CE1-CG2 4.14Å; F153-I157 HydrophobicContact CE2-CG2 3.94Å; F153-I157 HydrophobicContact CZ-CD1 4.42Å; F153-I157 HydrophobicContact CZ-CG2 3.74Å; F153-I157 PolarHBondContact O-N 2.83Å; F153-L291 HydrophobicContact CE1-CB 4.26Å; F153-L291 HydrophobicContact CE1-CD2 4.39Å; F153-L291 WeakPolarHBondContact CE1-O 3.39Å; F153-E294 HydrophobicContact CE1-CB 4.28Å; F153-E294 HydrophobicContact CE2-CB 4.27Å; F153-E294 HydrophobicContact CZ-CB 3.51Å; F153-F295 HydrophobicContact CB-CD2 3.67Å; F153-F295 HydrophobicContact CB-CE2 4.28Å; F153-F295 HydrophobicContact CD1-CB 4.05Å; F153-F295 HydrophobicContact CD1-CD2 4.43Å; F153-F295 HydrophobicContact CD2-CB 4.4Å; F153-F295 HydrophobicContact CD2-CD2 4.24Å; F153-F295 HydrophobicContact CE1-CB 4.24Å; F153-F295 HydrophobicContact CG-CB 4.16Å; F153-F295 AromaticContact CG-CD2 3.87Å; F153-F295 HydrophobicContact CG-CD2 3.87Å
154Q94.9Very high93.9Very high51 Ų5168.3 Ų68.324%0.23836%0.358CS..Hα-helixtrans-57.7-37.7175.4-72.6-176.9-53.800113Y150 K151 R152 I157 S158 L284Y150-Q154 HydrophobicContact CD1-CG 4.25Å; Y150-Q154 VanDerWaalsContact CE1-CD 3.41Å; Y150-Q154 HydrophobicContact CE1-CG 3.95Å; Y150-Q154 WeakPolarHBondContact O-CG 3.34Å; Y150-Q154 PolarHBondContact O-N 3.01Å; K151-Q154 PolarHBondContact O-N 3.4Å; R152-Q154 PolarHBondContact O-N 3.47Å; Q154-I157 VanDerWaalsContact O-CG1 3.3Å; Q154-I157 WeakPolarHBondContact O-CG1 3.48Å; Q154-S158 WeakPolarHBondContact O-CB 3.21Å; Q154-S158 PolarHBondContact O-N 2.76Å; Q154-L284 HydrophobicContact CB-CD1 4.07Å; Q154-L284 HydrophobicContact CG-CD1 4.29Å
155T95.5Very high94Very high48 Ų4872.7 Ų72.729%0.29437%0.371SS..Hα-helixtrans-66.4-38.8177.2-54.80000111.6K151 R152 F153 S158K151-T155 PolarHBondContact O-N 3.48Å; K151-T155 PolarHBondContact O-OG1 2.98Å; R152-T155 WeakPolarHBondContact O-CB 3.29Å; R152-T155 PolarHBondContact O-N 3.42Å; R152-T155 VanDerWaalsContact O-N 3.11Å; F153-T155 VanDerWaalsContact C-N 3.26Å; F153-T155 PolarHBondContact O-N 3.08Å; T155-S158 PolarHBondContact O-OG 3.09Å
156L96Very high94.2Very high4 Ų467.8 Ų67.82%0.02135%0.351CS..Hα-helixtrans-68-51.8179.3-66.7163.4000111.3I138 L141 N142 P147 R152 F153 S158 R159I138-L156 HydrophobicContact CG2-CB 4.47Å; I138-L156 HydrophobicContact CG2-CD1 4.19Å; L141-L156 HydrophobicContact CB-CD2 4.13Å; N142-L156 HydrophobicContact CB-CD1 3.67Å; N142-L156 HydrophobicContact CB-CD2 4.15Å; P147-L156 HydrophobicContact CB-CD1 3.87Å; P147-L156 HydrophobicContact CG-CD1 4.02Å; R152-L156 HydrophobicContact CG-CD1 4.25Å; R152-L156 WeakPolarHBondContact O-CG 3.28Å; R152-L156 PolarHBondContact O-N 3.41Å; F153-L156 PolarHBondContact O-N 3.01Å; F153-L156 VanDerWaalsContact O-N 3.08Å; L156-S158 PolarHBondContact O-N 3.07Å; L156-R159 WeakPolarHBondContact O-CB 3.44Å; L156-R159 PolarHBondContact O-N 2.8Å
157I95.3Very high94.3Very high6 Ų668 Ų683%0.03135%0.354CS..Hα-helixtrans-63.2-26.9-179.365.7175.8000112.5Y133 I138 F153 Q154 R159 M160 L284 L291Y133-I157 HydrophobicContact CD2-CG2 4.38Å; Y133-I157 HydrophobicContact CE2-CB 4.37Å; Y133-I157 HydrophobicContact CE2-CG2 4.25Å; I138-I157 HydrophobicContact CD1-CG2 4.17Å; F153-I157 HydrophobicContact CD1-CD1 4.41Å; F153-I157 HydrophobicContact CD2-CG2 4.43Å; F153-I157 HydrophobicContact CE1-CD1 3.89Å; F153-I157 HydrophobicContact CE1-CG2 4.14Å; F153-I157 HydrophobicContact CE2-CG2 3.94Å; F153-I157 HydrophobicContact CZ-CD1 4.42Å; F153-I157 HydrophobicContact CZ-CG2 3.74Å; F153-I157 PolarHBondContact O-N 2.83Å; Q154-I157 VanDerWaalsContact O-CG1 3.3Å; Q154-I157 WeakPolarHBondContact O-CG1 3.48Å; I157-R159 PolarHBondContact O-N 2.87Å; I157-M160 HydrophobicContact CB-SD 4.43Å; I157-M160 HydrophobicContact CG2-SD 4.13Å; I157-M160 PolarHBondContact O-N 3.24Å; I157-L284 HydrophobicContact CD1-CD2 4.4Å; I157-L291 HydrophobicContact CD1-CD1 3.94Å; I157-L291 HydrophobicContact CD1-CD2 3.6Å; I157-L291 HydrophobicContact CD1-CG 4.34Å
158S91.6Very high94.4Very high82 Ų8273 Ų7357%0.57338%0.377SS*.THydrogen-bonded Turntrans-67.1-13.8175.5730000114.2Q154 T155 L156Q154-S158 WeakPolarHBondContact O-CB 3.21Å; Q154-S158 PolarHBondContact O-N 2.76Å; T155-S158 PolarHBondContact O-OG 3.09Å; L156-S158 PolarHBondContact O-N 3.07Å
159R90.8Very high94.5Very high184 Ų18472 Ų7269%0.69438%0.377SS*.THydrogen-bonded Turntrans-105.7-2.1177.7-59175.4-176.8-168.6-3113L156 I157L156-R159 WeakPolarHBondContact O-CB 3.44Å; L156-R159 PolarHBondContact O-N 2.8Å; I157-R159 PolarHBondContact O-N 2.87Å
160M93.6Very high94.6Very high36 Ų3669 Ų6918%0.17736%0.358CS..SBendtrans-84.8164.9179.1-68.2-179.875.300111.1Y133 K137 I138 L141 I157Y133-M160 HydrophobicContact CD1-CE 4.02Å; Y133-M160 HydrophobicContact CD1-SD 4.21Å; Y133-M160 HydrophobicContact CG-CE 4.38Å; K137-M160 HydrophobicContact CB-CE 4.1Å; I138-M160 HydrophobicContact CD1-SD 4.24Å; I138-M160 HydrophobicContact CG1-CE 3.77Å; I138-M160 HydrophobicContact CG1-SD 3.48Å; I138-M160 WeakPolarHBondContact CG1-SD 3.27Å; L141-M160 HydrophobicContact CD1-CG 3.61Å; L141-M160 HydrophobicContact CD1-SD 4.39Å; I157-M160 HydrophobicContact CB-SD 4.43Å; I157-M160 HydrophobicContact CG2-SD 4.13Å; I157-M160 PolarHBondContact O-N 3.24Å
161D91.8Very high94.7Very high140 Ų14070 Ų7075%0.74937%0.368SS*.PPolyproline II helixtrans-58.4158.5169-62.5-39.7000111.5
162A91.2Very high94.7Very high94 Ų9465.6 Ų65.678%0.77736%0.362SS*.PPolyproline II helixtrans-58.5147.1175.100000110.9E164A162-E164 PolarHBondContact O-N 3.22Å
163V94.4Very high94.6Very high9 Ų969.1 Ų69.16%0.05538%0.383CS..PPolyproline II helixtrans-53.4133.5173.3-179.60000109.1L132 Y133 R263 Y266 F267L132-V163 HydrophobicContact CB-CG1 4.39Å; L132-V163 HydrophobicContact CB-CG2 4.42Å; L132-V163 HydrophobicContact CD2-CG1 4.14Å; Y133-V163 HydrophobicContact CE1-CG2 3.76Å; Y133-V163 HydrophobicContact CE2-CG2 4.36Å; V163-R263 HydrophobicContact CG1-CG 4.2Å; V163-Y266 HydrophobicContact CB-CD1 4.24Å; V163-Y266 HydrophobicContact CB-CE1 4.01Å; V163-Y266 HydrophobicContact CG1-CD1 4.31Å; V163-Y266 HydrophobicContact CG2-CD1 4.22Å; V163-Y266 HydrophobicContact CG2-CE1 3.82Å; V163-Y266 HydrophobicContact CG2-CE2 4.3Å; V163-F267 HydrophobicContact CB-CE2 4.19Å; V163-F267 HydrophobicContact CB-CZ 4.39Å; V163-F267 HydrophobicContact CG1-CE2 3.94Å; V163-F267 WeakPolarHBondContact O-CZ 3.36Å
164E95.1Very high94.4Very high128 Ų12870.8 Ų70.860%0.59839%0.393SS*.PPolyproline II helixtrans-61.3137.4177.2-66.9-174.8177.400110.8A162 R263 F267A162-E164 PolarHBondContact O-N 3.22Å; E164-R263 IonicContact OE2-NH1 3.26Å; E164-F267 WeakPolarHBondContact O-CE2 3.41Å
165L96.9Very high94.2Very high131 Ų13169.1 Ų69.169%0.68639%0.385SS*.PPolyproline II helixtrans-59.9143.1176.7-74.2168.4000110.4A167 F267L165-A167 PolarHBondContact O-N 3.31Å; L165-F267 HydrophobicContact CD2-CD1 4Å; L165-F267 HydrophobicContact CD2-CE1 3.5Å; L165-F267 HydrophobicContact CD2-CE2 4.22Å; L165-F267 HydrophobicContact CD2-CZ 3.62Å; L165-F267 HydrophobicContact CG-CZ 4.27Å
166P97.8Very high93.9Very high37 Ų3769.5 Ų69.524%0.2440%0.398CS..PPolyproline II helixtrans-57.8134.7175-21.533.2000110.1D17 R263 L264 F267D17-P166 HydrophobicContact CB-CB 3.95Å; D17-P166 WeakPolarHBondContact OD1-CA 3.21Å; P166-R263 HydrophobicContact CG-CB 4.11Å; P166-L264 HydrophobicContact CG-CB 4.5Å; P166-F267 VanDerWaalsContact CD-CD2 3.48Å; P166-F267 HydrophobicContact CG-CD2 3.88Å; P166-F267 HydrophobicContact CG-CG 4.49Å
167A97.3Very high93.5Very high23 Ų2378.9 Ų78.919%0.1944%0.439CS..PPolyproline II helixtrans-61.2149.1172.400000110.1D17 P19 K22 L165D17-A167 WeakPolarHBondContact CA-O 3.2Å; D17-A167 PolarHBondContact N-O 2.59Å; D17-A167 PolarHBondContact OD1-N 3.25Å; P19-A167 HydrophobicContact CB-CB 4.18Å; K22-A167 HydrophobicContact CD-CB 4.4Å; L165-A167 PolarHBondContact O-N 3.31Å
168E95.7Very high93.4Very high105 Ų10579.1 Ų79.149%0.49144%0.441SS..PPolyproline II helixtrans-57.7145.3173.472.7-167.714300110.8K22 V174K22-E168 HydrophobicContact CD-CG 3.97Å; K22-E168 WeakPolarHBondContact CE-OE1 3.46Å; K22-E168 IonicContact NZ-OE1 3.03Å; K22-E168 PolarHBondContact NZ-OE1 3.2Å; E168-V174 HydrophobicContact CG-CG2 4.28Å
169S96.5Very high93.5Very high58 Ų5879.2 Ų79.241%0.40644%0.438SS..PPolyproline II helixtrans-65.1148175.9-57.80000110.9H16 T171H16-S169 WeakPolarHBondContact CA-OG 3.18Å; H16-S169 WeakPolarHBondContact CB-OG 3.4Å; S169-T171 PolarHBondContact O-N 3.25Å
170I96.5Very high93.8Very high12 Ų1271.1 Ų71.16%0.06241%0.409CS..PPolyproline II helixtrans-69.2116.4173.8-51-52000109.4L15 L21 K22 L25 L69 V174 M175L15-I170 HydrophobicContact CB-CB 4.4Å; L15-I170 PolarHBondContact O-N 3.46Å; L21-I170 HydrophobicContact CD2-CD1 4.46Å; L21-I170 HydrophobicContact CD2-CG1 3.71Å; L21-I170 HydrophobicContact CG-CD1 4.13Å; L21-I170 HydrophobicContact CG-CG1 3.92Å; K22-I170 HydrophobicContact CB-CD1 3.81Å; L25-I170 HydrophobicContact CD1-CD1 4.09Å; L25-I170 HydrophobicContact CD1-CG2 3.88Å; L69-I170 HydrophobicContact CD1-CG2 4.05Å; I170-V174 HydrophobicContact CD1-CG1 4.03Å; I170-M175 HydrophobicContact CG2-CG 3.9Å; I170-M175 HydrophobicContact CG2-SD 3.86Å
171T94.6Very high93.9Very high57 Ų5772 Ų7235%0.3542%0.418SS..  trans-115.1172.6175.567.90000110.4S169 E173 V174 M175S169-T171 PolarHBondContact O-N 3.25Å; T171-E173 PolarHBondContact O-N 2.96Å; T171-E173 PolarHBondContact OG1-N 3.45Å; T171-V174 PolarHBondContact O-N 2.66Å; T171-V174 VanDerWaalsContact O-N 3.15Å; T171-V174 PolarHBondContact OG1-N 3.13Å; T171-M175 WeakPolarHBondContact O-CG 3.14Å; T171-M175 PolarHBondContact O-N 3.26Å
172A92.9Very high94Very high70 Ų7069.3 Ų69.358%0.57940%0.403SS*.Hα-helixtrans-58.4-31.4172.200000112.2L69 G176L69-A172 HydrophobicContact CD2-CB 4.39Å; A172-G176 PolarHBondContact O-N 3.35Å
173E92Very high94.2Very high177 Ų17767.5 Ų67.583%0.82738%0.384SS*.Hα-helixtrans-68.8-42175.8-61.6176.5177.900111.8T171 G176T171-E173 PolarHBondContact O-N 2.96Å; T171-E173 PolarHBondContact OG1-N 3.45Å; E173-G176 WeakPolarHBondContact O-CA 3.29Å; E173-G176 PolarHBondContact O-N 3.29Å
174V91.1Very high94.1Very high35 Ų3577 Ų7721%0.21243%0.428CS..Hα-helixtrans-67.8-39176.5177.30000111.2L25 E168 I170 T171 G176L25-V174 HydrophobicContact CD1-CG1 4.03Å; E168-V174 HydrophobicContact CG-CG2 4.28Å; I170-V174 HydrophobicContact CD1-CG1 4.03Å; T171-V174 PolarHBondContact O-N 2.66Å; T171-V174 VanDerWaalsContact O-N 3.15Å; T171-V174 PolarHBondContact OG1-N 3.13Å; V174-G176 VanDerWaalsContact C-N 3.25Å; V174-G176 PolarHBondContact O-N 3.22Å
175M90.8Very high94.1Very high16 Ų1673.3 Ų73.38%0.07941%0.413CS..Hα-helixtrans-61.6-36.8171.7-68.6-71.3-68.800111L25 V31 L69 I170 T171 K177 C178L25-M175 HydrophobicContact CD1-SD 3.75Å; L25-M175 HydrophobicContact CD2-SD 3.77Å; L25-M175 HydrophobicContact CG-SD 4.43Å; V31-M175 HydrophobicContact CG1-CE 3.64Å; V31-M175 HydrophobicContact CG1-SD 4.4Å; L69-M175 HydrophobicContact CD1-CG 4.35Å; I170-M175 HydrophobicContact CG2-CG 3.9Å; I170-M175 HydrophobicContact CG2-SD 3.86Å; T171-M175 WeakPolarHBondContact O-CG 3.14Å; T171-M175 PolarHBondContact O-N 3.26Å; M175-K177 PolarHBondContact O-N 3.36Å; M175-C178 WeakPolarHBondContact O-CA 3.2Å; M175-C178 WeakPolarHBondContact O-CB 3.29Å; M175-C178 PolarHBondContact O-N 2.87Å
176G89.5Confident94Very high55 Ų5567.3 Ų67.357%0.56738%0.381SS*.THydrogen-bonded Turntrans58.5-117.3171.500000112.4A172 E173 V174A172-G176 PolarHBondContact O-N 3.35Å; E173-G176 WeakPolarHBondContact O-CA 3.29Å; E173-G176 PolarHBondContact O-N 3.29Å; V174-G176 VanDerWaalsContact C-N 3.25Å; V174-G176 PolarHBondContact O-N 3.22Å
177K87.6Confident93.8Very high201 Ų20170 Ų7087%0.87439%0.393SS*.THydrogen-bonded Turntrans-91.3-5.2177-63.7-177.8-178.6178.70113.4M175 T179M175-K177 PolarHBondContact O-N 3.36Å; K177-T179 PolarHBondContact O-N 2.87Å
178C93Very high93.6Very high11 Ų1176.8 Ų76.87%0.07442%0.421CS..  trans-69.3129.7-179.1-162.50000109.4L25 A28 V31 M175L25-C178 HydrophobicContact CD2-CB 4.42Å; A28-C178 WeakPolarHBondContact O-CB 3.37Å; A28-C178 PolarHBondContact O-SG 3.4Å; V31-C178 PolarHBondContact N-SG 2.97Å; M175-C178 WeakPolarHBondContact O-CA 3.2Å; M175-C178 WeakPolarHBondContact O-CB 3.29Å; M175-C178 PolarHBondContact O-N 2.87Å
179T94.6Very high93.5Very high84 Ų8477.3 Ų77.352%0.51542%0.422SS..BIsolated β-bridgetrans-116.5160.6-179.358.90000111.4D29 T30 V31 K177D29-T179 PolarHBondContact O-N 3.35Å; D29-T179 PolarHBondContact O-OG1 3.12Å; T30-T179 CarbonylContact C-O 3.58Å; T30-T179 WeakPolarHBondContact CA-O 3.07Å; T30-T179 WeakPolarHBondContact CB-O 3.05Å; V31-T179 PolarHBondContact N-O 3.05Å; K177-T179 PolarHBondContact O-N 2.87Å
180T96.9Very high93.6Very high15 Ų1576.4 Ų76.49%0.09241%0.411CS..  trans-113.8113.3171.4-62.90000108.2V31 R32 S71 F74 L182V31-T180 WeakPolarHBondContact O-CB 3.49Å; V31-T180 WeakPolarHBondContact O-CG2 3.47Å; V31-T180 PolarHBondContact O-OG1 3.22Å; R32-T180 HydrophobicContact CG-CG2 4.5Å; S71-T180 WeakPolarHBondContact CB-OG1 3.37Å; S71-T180 WeakPolarHBondContact OG-CB 3.38Å; S71-T180 PolarHBondContact OG-OG1 3.34Å; F74-T180 HydrophobicContact CE2-CG2 3.65Å; F74-T180 HydrophobicContact CZ-CG2 4.02Å; T180-L182 HydrophobicContact CG2-CD2 3.77Å; T180-L182 HydrophobicContact CG2-CG 4.3Å; T180-L182 PolarHBondContact O-N 3.08Å
181P95.4Very high93.6Very high54 Ų5476.6 Ų76.635%0.35142%0.416SS..  trans-68.9122175.6-17.930.9000110T30T30-P181 HydrophobicContact CG2-CG 3.9Å
182L95Very high93.7Very high84 Ų8475.4 Ų75.444%0.4441%0.408SS..  trans-119150.1-178.6-60.2175.3000110.4R72 F74 T180R72-L182 HydrophobicContact CB-CD2 3.67Å; R72-L182 HydrophobicContact CG-CD1 3.65Å; R72-L182 HydrophobicContact CG-CD2 3.46Å; R72-L182 VanDerWaalsContact CG-CD2 3.46Å; R72-L182 HydrophobicContact CG-CG 4.2Å; F74-L182 HydrophobicContact CE2-CD2 4.26Å; F74-L182 HydrophobicContact CZ-CD2 3.89Å; T180-L182 HydrophobicContact CG2-CD2 3.77Å; T180-L182 HydrophobicContact CG2-CG 4.3Å; T180-L182 PolarHBondContact O-N 3.08Å
183S93.9Very high93.8Very high55 Ų5572.2 Ų72.239%0.38538%0.381SS..  trans-114.4158.9170.255.90000110.3D185 H186S183-D185 WeakPolarHBondContact CB-OD1 3.49Å; S183-D185 PolarHBondContact O-N 2.64Å; S183-D185 PolarHBondContact OG-OD1 2.92Å; S183-H186 WeakPolarHBondContact O-CB 3.41Å; S183-H186 PolarHBondContact O-N 3.14Å
184E92.3Very high93.9Very high210 Ų21065.7 Ų65.798%0.98136%0.355SS*.THydrogen-bonded Turntrans-63.2-30.2179.2-65-172.7162.400112.3H186E184-H186 VanDerWaalsContact C-N 3.26Å; E184-H186 PolarHBondContact O-N 3.44Å
185D95.1Very high94Very high50 Ų5064.8 Ų64.827%0.26735%0.349SS..THydrogen-bonded Turntrans-87.421177.766.4-7.7000113.9S183 D187 E188 K189S183-D185 WeakPolarHBondContact CB-OD1 3.49Å; S183-D185 PolarHBondContact O-N 2.64Å; S183-D185 PolarHBondContact OG-OD1 2.92Å; D185-D187 VanDerWaalsContact C-N 3.33Å; D185-D187 PolarHBondContact O-N 2.65Å; D185-E188 PolarHBondContact O-N 2.76Å; D185-K189 PolarHBondContact O-N 2.97Å; D185-K189 IonicContact OD1-NZ 3.07Å; D185-K189 WeakPolarHBondContact OD2-CE 3.48Å; D185-K189 IonicContact OD2-NZ 3.81Å; D185-K189 PolarHBondContact OD2-NZ 2.83Å
186H96.4Very high94.1Very high5 Ų569.1 Ų69.12%0.02337%0.369CS..Hα-helixtrans-56.5-45.2-177.5-179.697.4000112.3R72 L73 F74 S183 E184 E188 K189 F190 G191R72-H186 VanDerWaalsContact CB-CE1 3.49Å; R72-H186 WeakPolarHBondContact CB-CE1 3.28Å; R72-H186 PolarHBondContact NH1-CD2 3.34Å; R72-H186 VanDerWaalsContact NH1-CD2 3.32Å; R72-H186 PolarHBondContact NH2-CD2 3.41Å; R72-H186 VanDerWaalsContact NH2-CD2 3.34Å; L73-H186 PolarHBondContact O-CE1 3.31Å; L73-H186 PolarHBondContact O-NE2 3.16Å; F74-H186 AromaticContact CD1-CE1 3.76Å; F74-H186 AromaticContact CE1-CE1 3.64Å; F74-H186 AromaticContact CE1-ND1 3.74Å; F74-H186 AromaticContact CE2-CE1 3.92Å; F74-H186 AromaticContact CG-CE1 3.96Å; F74-H186 AromaticContact CZ-CE1 3.73Å; F74-H186 AromaticContact CZ-ND1 3.9Å; S183-H186 WeakPolarHBondContact O-CB 3.41Å; S183-H186 PolarHBondContact O-N 3.14Å; E184-H186 VanDerWaalsContact C-N 3.26Å; E184-H186 PolarHBondContact O-N 3.44Å; H186-E188 VanDerWaalsContact C-N 3.33Å; H186-E188 PolarHBondContact O-N 2.88Å; H186-K189 PolarHBondContact O-N 3.14Å; H186-F190 WeakPolarHBondContact O-CA 3.42Å; H186-F190 PolarHBondContact O-N 3.22Å; H186-G191 PolarHBondContact O-N 3.11Å
187D92.9Very high94.1Very high92 Ų9272.3 Ų72.349%0.49237%0.37SS..Hα-helixtrans-67.6-35.5-174.6-69.2-8.1000111.4R67 R72 D185 K189 G191R67-D187 IonicContact NH2-OD1 2.6Å; R67-D187 IonicContact NH2-OD2 2.99Å; R72-D187 IonicContact CZ-OD1 2.77Å; R72-D187 IonicContact NH1-OD1 3.79Å; R72-D187 PolarHBondContact NH1-OD1 3.37Å; R72-D187 IonicContact NH2-OD1 4Å; R72-D187 PolarHBondContact NH2-OD1 2.74Å; D185-D187 VanDerWaalsContact C-N 3.33Å; D185-D187 PolarHBondContact O-N 2.65Å; D187-K189 PolarHBondContact O-N 3.46Å; D187-G191 WeakPolarHBondContact O-CA 3.35Å; D187-G191 PolarHBondContact O-N 2.91Å
188E93.2Very high94.2Very high167 Ų16764 Ų6478%0.7833%0.334SS*.Hα-helixtrans-66.8-35.8176.4-61.2-178.1-178.700112.5D185 H186D185-E188 PolarHBondContact O-N 2.76Å; H186-E188 VanDerWaalsContact C-N 3.33Å; H186-E188 PolarHBondContact O-N 2.88Å
189K94.1Very high94Very high115 Ų11566.6 Ų66.650%0.536%0.364SS..Hα-helixtrans-91.2-38.9-175.4-73.4176.3172.8165.10113.9D185 H186 D187D185-K189 PolarHBondContact O-N 2.97Å; D185-K189 IonicContact OD1-NZ 3.07Å; D185-K189 WeakPolarHBondContact OD2-CE 3.48Å; D185-K189 IonicContact OD2-NZ 3.81Å; D185-K189 PolarHBondContact OD2-NZ 2.83Å; H186-K189 PolarHBondContact O-N 3.14Å; D187-K189 PolarHBondContact O-N 3.46Å
190F97.2Very high93.7Very high40 Ų4064.6 Ų64.618%0.17535%0.348CS..Hα-helixtrans-135.56.4-164.9-52.1-63.6000114F74 V75 I76 W91 H186F74-F190 HydrophobicContact CB-CB 4.36Å; F74-F190 HydrophobicContact CB-CG 4.49Å; F74-F190 HydrophobicContact CD1-CB 4.13Å; F74-F190 HydrophobicContact CD1-CD1 4.16Å; F74-F190 AromaticContact CD1-CD2 3.59Å; F74-F190 HydrophobicContact CD1-CD2 3.59Å; F74-F190 HydrophobicContact CD1-CE1 4.48Å; F74-F190 AromaticContact CD1-CE2 3.96Å; F74-F190 HydrophobicContact CD1-CE2 3.96Å; F74-F190 AromaticContact CD1-CG 3.7Å; F74-F190 HydrophobicContact CD1-CG 3.7Å; F74-F190 HydrophobicContact CD1-CZ 4.39Å; F74-F190 AromaticContact CE1-CD2 3.89Å; F74-F190 HydrophobicContact CE1-CD2 3.89Å; F74-F190 HydrophobicContact CE1-CE2 4.08Å; F74-F190 HydrophobicContact CE1-CG 4.45Å; F74-F190 HydrophobicContact CG-CG 4.49Å; V75-F190 WeakPolarHBondContact CB-O 3.38Å; V75-F190 PolarHBondContact N-O 3.09Å; V75-F190 WeakPolarHBondContact O-CA 3.3Å; I76-F190 HydrophobicContact CG1-CD1 4.12Å; I76-F190 HydrophobicContact CG1-CE1 4.37Å; W91-F190 HydrophobicContact CZ2-CE1 4.24Å; W91-F190 AromaticContact CZ2-CZ 4Å; W91-F190 HydrophobicContact CZ2-CZ 4Å; H186-F190 WeakPolarHBondContact O-CA 3.42Å; H186-F190 PolarHBondContact O-N 3.22Å
191G96.6Very high93.3Very high16 Ų1669.9 Ų69.917%0.16538%0.375CS..SBendtrans-60.2156.217500000112.6H186 D187H186-G191 PolarHBondContact O-N 3.11Å; D187-G191 WeakPolarHBondContact O-CA 3.35Å; D187-G191 PolarHBondContact O-N 2.91Å
192V97Very high93.2Very high32 Ų3269.2 Ų69.219%0.19437%0.37CS..PPolyproline II helixtrans-69.1123.9171.6-174.60000107.8L56 L59 E60 L73 V75L56-V192 HydrophobicContact CB-CG1 4.39Å; L56-V192 HydrophobicContact CD2-CG1 3.92Å; L59-V192 HydrophobicContact CB-CG1 3.94Å; L59-V192 HydrophobicContact CB-CG2 3.91Å; E60-V192 HydrophobicContact CG-CB 4.19Å; E60-V192 HydrophobicContact CG-CG1 4.03Å; E60-V192 HydrophobicContact CG-CG2 4.4Å; L73-V192 HydrophobicContact CD2-CG2 4.29Å; V75-V192 HydrophobicContact CG2-CB 4.47Å; V75-V192 HydrophobicContact CG2-CG2 3.87Å
193P95.1Very high93Very high2 Ų272.2 Ų72.21%0.01339%0.387CS..PPolyproline II helixtrans-71.7153.2179.729-33.7000111.3L37 L56 E197 L198L37-P193 HydrophobicContact CD2-CG 3.47Å; L37-P193 VanDerWaalsContact CD2-CG 3.47Å; L56-P193 WeakPolarHBondContact CD1-O 3.47Å; L56-P193 HydrophobicContact CD2-CG 4.04Å; L56-P193 WeakPolarHBondContact CD2-O 3.41Å; P193-E197 WeakPolarHBondContact CA-OE2 3.24Å; P193-E197 HydrophobicContact CB-CB 4.13Å; P193-E197 VanDerWaalsContact CB-OE2 3.3Å; P193-E197 WeakPolarHBondContact CB-OE2 3.5Å; P193-L198 HydrophobicContact CB-CD2 4.21Å; P193-L198 HydrophobicContact CB-CG 4.38Å; P193-L198 HydrophobicContact CG-CD2 4.02Å; P193-L198 HydrophobicContact CG-CG 4.32Å
194S94.1Very high92.5Very high40 Ų4073.1 Ų73.128%0.2841%0.405SS..PPolyproline II helixtrans-77.4169.7169.789.40000111.9E196 E197 L198S194-E196 VanDerWaalsContact C-N 3.3Å; S194-E196 VanDerWaalsContact CB-OE2 3.24Å; S194-E196 WeakPolarHBondContact CB-OE2 3.1Å; S194-E196 PolarHBondContact O-N 2.54Å; S194-E196 PolarHBondContact OG-N 3.07Å; S194-E196 PolarHBondContact OG-OE2 3.03Å; S194-E197 PolarHBondContact O-N 3.17Å; S194-E197 PolarHBondContact OG-N 3.02Å; S194-E197 VanDerWaalsContact OG-N 3.14Å; S194-L198 WeakPolarHBondContact O-CG 3.36Å; S194-L198 PolarHBondContact O-N 3.21Å
195L92.9Very high92.5Very high17 Ų1766 Ų669%0.08937%0.374CS..THydrogen-bonded Turntrans-63.3-38.6173.1-75.7173.1000111.6I49 W52 R53 L56 L198 G199 F200 T202 L205I49-L195 HydrophobicContact CD1-CD1 4.49Å; I49-L195 HydrophobicContact CG1-CD1 4.31Å; I49-L195 HydrophobicContact CG1-CD2 4.32Å; W52-L195 HydrophobicContact CB-CD2 3.97Å; R53-L195 HydrophobicContact CB-CD1 4.01Å; R53-L195 HydrophobicContact CB-CD2 4.4Å; R53-L195 HydrophobicContact CG-CD1 4.18Å; L56-L195 HydrophobicContact CD1-CD2 3.75Å; L56-L195 HydrophobicContact CD1-CG 3.97Å; L195-L198 CarbonylContact O-C 3.51Å; L195-L198 PolarHBondContact O-N 2.82Å; L195-L198 VanDerWaalsContact O-N 3.15Å; L195-G199 PolarHBondContact O-N 3.4Å; L195-F200 HydrophobicContact CB-CB 4.22Å; L195-F200 HydrophobicContact CD2-CD2 3.87Å; L195-F200 HydrophobicContact CD2-CE2 4.48Å; L195-F200 HydrophobicContact CD2-CG 4.41Å; L195-F200 WeakPolarHBondContact O-CB 3.37Å; L195-F200 PolarHBondContact O-N 3.48Å; L195-T202 HydrophobicContact CB-CG2 3.63Å; L195-T202 HydrophobicContact CD1-CG2 3.98Å; L195-T202 HydrophobicContact CG-CG2 4.48Å; L195-L205 HydrophobicContact CD1-CD2 3.96Å
196E92.6Very high92.3Very high106 Ų10667.6 Ų67.650%0.49539%0.389SS..THydrogen-bonded Turntrans-65.5-39.5177.9-57.877.3-170.500111.3S194 L198 G199 T202S194-E196 VanDerWaalsContact C-N 3.3Å; S194-E196 VanDerWaalsContact CB-OE2 3.24Å; S194-E196 WeakPolarHBondContact CB-OE2 3.1Å; S194-E196 PolarHBondContact O-N 2.54Å; S194-E196 PolarHBondContact OG-N 3.07Å; S194-E196 PolarHBondContact OG-OE2 3.03Å; E196-L198 PolarHBondContact O-N 2.62Å; E196-G199 WeakPolarHBondContact O-CA 3.41Å; E196-G199 PolarHBondContact O-N 2.75Å; E196-T202 HydrophobicContact CG-CG2 4.25Å; E196-T202 WeakPolarHBondContact OE1-CB 3.04Å; E196-T202 WeakPolarHBondContact OE1-CG2 3.32Å; E196-T202 PolarHBondContact OE1-OG1 2.84Å
197E90.8Very high92.2Very high123 Ų12372.7 Ų72.758%0.57543%0.425SS*.THydrogen-bonded Turntrans-62.5-28.7173.2-73.4-175-162.300113R77 P193 S194 G199R77-E197 IonicContact NH2-OE2 3.95Å; R77-E197 PolarHBondContact NH2-OE2 2.9Å; R77-E197 VanDerWaalsContact NH2-OE2 3.08Å; P193-E197 WeakPolarHBondContact CA-OE2 3.24Å; P193-E197 HydrophobicContact CB-CB 4.13Å; P193-E197 VanDerWaalsContact CB-OE2 3.3Å; P193-E197 WeakPolarHBondContact CB-OE2 3.5Å; S194-E197 PolarHBondContact O-N 3.17Å; S194-E197 PolarHBondContact OG-N 3.02Å; S194-E197 VanDerWaalsContact OG-N 3.14Å; E197-G199 VanDerWaalsContact C-N 3.27Å
198L88.8Confident92.3Very high25 Ų2569 Ų6913%0.13141%0.407CS..THydrogen-bonded Turntrans-83.8-0.7173.8-62.3-176.7000113.1L37 A42 W52 L56 P193 S194 L195 E196 F200L37-L198 HydrophobicContact CD2-CD2 4.02Å; A42-L198 HydrophobicContact CB-CB 4.32Å; A42-L198 HydrophobicContact CB-CD1 4.45Å; W52-L198 HydrophobicContact CE3-CD1 3.87Å; W52-L198 HydrophobicContact CZ3-CD1 4.22Å; L56-L198 HydrophobicContact CD1-CD1 4.01Å; L56-L198 HydrophobicContact CD2-CD1 4.26Å; P193-L198 HydrophobicContact CB-CD2 4.21Å; P193-L198 HydrophobicContact CB-CG 4.38Å; P193-L198 HydrophobicContact CG-CD2 4.02Å; P193-L198 HydrophobicContact CG-CG 4.32Å; S194-L198 WeakPolarHBondContact O-CG 3.36Å; S194-L198 PolarHBondContact O-N 3.21Å; L195-L198 CarbonylContact O-C 3.51Å; L195-L198 PolarHBondContact O-N 2.82Å; L195-L198 VanDerWaalsContact O-N 3.15Å; E196-L198 PolarHBondContact O-N 2.62Å; L198-F200 HydrophobicContact CB-CD2 3.85Å; L198-F200 HydrophobicContact CB-CE2 3.91Å; L198-F200 HydrophobicContact CD1-CE2 4.38Å
199G88.9Confident92.5Very high67 Ų6764 Ų6469%0.69139%0.387SS*.THydrogen-bonded Turntrans85.413.8177.400000114.9L195 E196 E197L195-G199 PolarHBondContact O-N 3.4Å; E196-G199 WeakPolarHBondContact O-CA 3.41Å; E196-G199 PolarHBondContact O-N 2.75Å; E197-G199 VanDerWaalsContact C-N 3.27Å
200F88.9Confident92.7Very high42 Ų4258.8 Ų58.818%0.18437%0.365CS..  trans-79.4138.4173.4-68-75.1000111.2A42 I49 W52 L195 L198 T202A42-F200 HydrophobicContact CB-CE2 4.29Å; A42-F200 HydrophobicContact CB-CZ 4.5Å; I49-F200 HydrophobicContact CB-CD1 4.27Å; I49-F200 HydrophobicContact CD1-CB 4.04Å; I49-F200 HydrophobicContact CD1-CD1 4.38Å; I49-F200 HydrophobicContact CD1-CG 4.39Å; I49-F200 HydrophobicContact CG1-CB 4.41Å; I49-F200 HydrophobicContact CG1-CD1 4.17Å; I49-F200 HydrophobicContact CG1-CG 4.27Å; W52-F200 HydrophobicContact CB-CE2 4.02Å; W52-F200 HydrophobicContact CB-CZ 4.29Å; W52-F200 AromaticContact CD1-CE2 3.71Å; W52-F200 AromaticContact CD1-CZ 3.21Å; W52-F200 HydrophobicContact CD2-CE2 4.2Å; W52-F200 HydrophobicContact CD2-CZ 4.35Å; W52-F200 AromaticContact CG-CE2 3.7Å; W52-F200 HydrophobicContact CG-CE2 3.7Å; W52-F200 AromaticContact CG-CZ 3.71Å; W52-F200 HydrophobicContact CG-CZ 3.71Å; W52-F200 AromaticContact NE1-CZ 3.61Å; L195-F200 HydrophobicContact CB-CB 4.22Å; L195-F200 HydrophobicContact CD2-CD2 3.87Å; L195-F200 HydrophobicContact CD2-CE2 4.48Å; L195-F200 HydrophobicContact CD2-CG 4.41Å; L195-F200 WeakPolarHBondContact O-CB 3.37Å; L195-F200 PolarHBondContact O-N 3.48Å; L198-F200 HydrophobicContact CB-CD2 3.85Å; L198-F200 HydrophobicContact CB-CE2 3.91Å; L198-F200 HydrophobicContact CD1-CE2 4.38Å; F200-T202 PolarHBondContact O-N 2.88Å
201D88.6Confident92.7Very high126 Ų12659 Ų5967%0.67437%0.37SS*.  trans-76119.9164.5-172.52.3000109.2D203D201-D203 VanDerWaalsContact OD1-CB 3.32Å; D201-D203 WeakPolarHBondContact OD1-CB 3.37Å; D201-D203 PolarHBondContact OD1-N 3.16Å
202T92Very high92.8Very high40 Ų4058.7 Ų58.725%0.24537%0.367CS..  trans-102.83.2178.957.60000112.6L195 E196 F200 G204 L205L195-T202 HydrophobicContact CB-CG2 3.63Å; L195-T202 HydrophobicContact CD1-CG2 3.98Å; L195-T202 HydrophobicContact CG-CG2 4.48Å; E196-T202 HydrophobicContact CG-CG2 4.25Å; E196-T202 WeakPolarHBondContact OE1-CB 3.04Å; E196-T202 WeakPolarHBondContact OE1-CG2 3.32Å; E196-T202 PolarHBondContact OE1-OG1 2.84Å; F200-T202 PolarHBondContact O-N 2.88Å; T202-G204 PolarHBondContact O-N 2.86Å; T202-L205 HydrophobicContact CG2-CD2 4.44Å; T202-L205 WeakPolarHBondContact O-CB 3.15Å; T202-L205 PolarHBondContact O-N 3.25Å; T202-L205 VanDerWaalsContact O-N 3.12Å
203D91.6Very high92.9Very high146 Ų14657.1 Ų57.178%0.78136%0.357SS*.THydrogen-bonded Turntrans-62.7136.3174.4-165.519.5000110.9D201 L205D201-D203 VanDerWaalsContact OD1-CB 3.32Å; D201-D203 WeakPolarHBondContact OD1-CB 3.37Å; D201-D203 PolarHBondContact OD1-N 3.16Å; D203-L205 PolarHBondContact O-N 3.48Å; D203-L205 VanDerWaalsContact O-N 3.14Å
204G84.4Confident93.1Very high75 Ų7557.8 Ų57.877%0.77336%0.36SS*.THydrogen-bonded Turntrans67.33.9-174.600000115.9T202 S206T202-G204 PolarHBondContact O-N 2.86Å; G204-S206 PolarHBondContact O-N 2.96Å
205L90.9Very high93.3Very high61 Ų6159 Ų5932%0.31937%0.366SS..  trans-74.3108.5178.8-168.367.1000110.7I49 L195 T202 D203I49-L205 HydrophobicContact CD1-CD1 4.29Å; I49-L205 HydrophobicContact CD1-CD2 3.9Å; I49-L205 HydrophobicContact CG1-CD2 4.44Å; I49-L205 HydrophobicContact CG2-CD1 4.48Å; L195-L205 HydrophobicContact CD1-CD2 3.96Å; T202-L205 HydrophobicContact CG2-CD2 4.44Å; T202-L205 WeakPolarHBondContact O-CB 3.15Å; T202-L205 PolarHBondContact O-N 3.25Å; T202-L205 VanDerWaalsContact O-N 3.12Å; D203-L205 PolarHBondContact O-N 3.48Å; D203-L205 VanDerWaalsContact O-N 3.14Å
206S91.3Very high93.6Very high83 Ų8360.3 Ų60.358%0.5837%0.372SS*.PPolyproline II helixtrans-68.8164.3176.665.40000112.3R53 G204 A208R53-S206 PolarHBondContact NH1-O 3.4Å; G204-S206 PolarHBondContact O-N 2.96Å; S206-A208 PolarHBondContact O-N 3.05Å
207S93.9Very high93.9Very high112 Ų11255.2 Ų55.278%0.78335%0.348SS*.PPolyproline II helixtrans-50.2141.9171.9-174.10000112.1V209S207-V209 PolarHBondContact O-N 2.77Å
208A95.2Very high94.2Very high14 Ų1451.9 Ų51.912%0.11633%0.334CS..PPolyproline II helixtrans-68.8122.7-176.600000110.8S206 W210S206-A208 PolarHBondContact O-N 3.05Å; A208-W210 PolarHBondContact O-N 3.39Å
209V97.2Very high94.7Very high61 Ų6152.8 Ų52.837%0.3734%0.34SS..SBendtrans-64.1-30.6172.6177.90000111.4S207 P211 R220 A246 E350S207-V209 PolarHBondContact O-N 2.77Å; V209-P211 WeakPolarHBondContact O-CD 3.41Å; V209-R220 PolarHBondContact O-NH2 3.11Å; V209-A246 HydrophobicContact CG1-CB 3.43Å; V209-A246 VanDerWaalsContact CG1-CB 3.43Å; V209-E350 HydrophobicContact CB-CB 4.39Å; V209-E350 HydrophobicContact CB-CG 4.46Å; V209-E350 HydrophobicContact CG2-CB 4.38Å; V209-E350 HydrophobicContact CG2-CG 3.95Å
210W98Very high95.1Very high6 Ų650.2 Ų50.22%0.02331%0.31CS..SBendtrans-119.788.7176-60.392.8000109.4F54 A208 A246 P253 Y254 E350 W352 L386F54-W210 HydrophobicContact CD2-CB 4.24Å; F54-W210 WeakPolarHBondContact CD2-O 3.47Å; F54-W210 HydrophobicContact CE2-CB 4.25Å; A208-W210 PolarHBondContact O-N 3.39Å; W210-A246 HydrophobicContact CZ2-CB 3.54Å; W210-P253 HydrophobicContact CD2-CG 4.15Å; W210-P253 HydrophobicContact CE3-CG 3.89Å; W210-P253 HydrophobicContact CZ3-CG 4.29Å; W210-Y254 AromaticContact CE3-CE2 3.99Å; W210-Y254 HydrophobicContact CE3-CE2 3.99Å; W210-Y254 HydrophobicContact CZ3-CE2 4.29Å; W210-E350 VanDerWaalsContact CD1-O 3.24Å; W210-W352 HydrophobicContact CH2-CD2 4.45Å; W210-W352 HydrophobicContact CH2-CG 4.49Å; W210-W352 HydrophobicContact CZ2-CB 3.96Å; W210-W352 AromaticContact CZ2-CD2 3.71Å; W210-W352 HydrophobicContact CZ2-CD2 3.71Å; W210-W352 HydrophobicContact CZ2-CE3 4.01Å; W210-W352 AromaticContact CZ2-CG 3.69Å; W210-W352 HydrophobicContact CZ2-CG 3.69Å; W210-L386 HydrophobicContact CB-CD1 3.65Å; W210-L386 HydrophobicContact CG-CD1 3.82Å
211P98.3Very high95.4Very high45 Ų4548.5 Ų48.529%0.29230%0.302SS..  trans-63136.1170.6-19.232.7000110.4V209 E216 Y254V209-P211 WeakPolarHBondContact O-CD 3.41Å; P211-E216 HydrophobicContact CB-CG 4.24Å; P211-Y254 WeakPolarHBondContact O-CE1 3.34Å; P211-Y254 VanDerWaalsContact O-CZ 3.32Å; P211-Y254 PolarHBondContact O-OH 3.44Å
212G98.5Very high95.7Very high9 Ų948.3 Ų48.39%0.09330%0.298CS..  trans-72.8171.4174.900000113.6
213G98.7Very high95.8Very high0 Ų052 Ų520%031%0.307CS..SBendtrans108.1155.7172.800000116.4S58 D61 A217S58-G213 PolarHBondContact OG-N 3.39Å; D61-G213 WeakPolarHBondContact OD2-CA 3.43Å; G213-A217 WeakPolarHBondContact O-CB 3.47Å; G213-A217 PolarHBondContact O-N 3.41Å
214E98.8Very high95.8Very high15 Ų1546.4 Ų46.47%0.0728%0.276CS..Hα-helixtrans-65-41.6173.2173.1179.2-161.600111.3R14 L15 H16 D61 E216 A217 L218R14-E214 VanDerWaalsContact CA-OE2 3.28Å; R14-E214 WeakPolarHBondContact CA-OE2 3.38Å; R14-E214 HydrophobicContact CB-CB 4.31Å; R14-E214 HydrophobicContact CB-CG 4.09Å; L15-E214 VanDerWaalsContact N-CD 3.34Å; L15-E214 PolarHBondContact N-OE1 3Å; L15-E214 PolarHBondContact N-OE2 3.13Å; H16-E214 WeakPolarHBondContact CB-OE1 3.4Å; H16-E214 IonicContact CE1-OE1 2.77Å; H16-E214 IonicContact CG-OE1 3.18Å; H16-E214 PolarHBondContact N-OE1 3.48Å; H16-E214 IonicContact ND1-OE1 3.73Å; H16-E214 PolarHBondContact ND1-OE1 3.33Å; D61-E214 WeakPolarHBondContact OD2-CA 3.18Å; D61-E214 WeakPolarHBondContact OD2-CB 3.36Å; D61-E214 PolarHBondContact OD2-N 3.46Å; E214-E216 PolarHBondContact O-N 2.99Å; E214-A217 WeakPolarHBondContact O-CB 3.33Å; E214-A217 PolarHBondContact O-N 3.09Å; E214-A217 VanDerWaalsContact O-N 3.12Å; E214-L218 HydrophobicContact CG-CD1 3.97Å; E214-L218 HydrophobicContact CG-CG 4.32Å; E214-L218 WeakPolarHBondContact O-CG 3.3Å; E214-L218 PolarHBondContact O-N 3.06Å
215T98.8Very high95.9Very high66 Ų6644.2 Ų44.241%0.40525%0.247SC..Hα-helixtrans-58.8-47.5-179.9-59.60000111.7D61 A217 T219D61-T215 WeakPolarHBondContact OD1-CB 3.3Å; D61-T215 PolarHBondContact OD1-OG1 2.84Å; D61-T215 PolarHBondContact OD2-N 3.13Å; T215-A217 VanDerWaalsContact C-N 3.34Å; T215-T219 WeakPolarHBondContact O-CB 3.16Å; T215-T219 PolarHBondContact O-N 3.17Å; T215-T219 VanDerWaalsContact O-N 3.08Å; T215-T219 PolarHBondContact O-OG1 3.5Å
216E98.7Very high95.7Very high44 Ų4447.7 Ų47.721%0.20626%0.261CS..Hα-helixtrans-65.9-40.1175.9178.965.1-176.800110.7P211 E214 L218 T219 R220 Y254P211-E216 HydrophobicContact CB-CG 4.24Å; E214-E216 PolarHBondContact O-N 2.99Å; E216-L218 PolarHBondContact O-N 3.49Å; E216-T219 PolarHBondContact O-N 2.89Å; E216-R220 HydrophobicContact CG-CG 4.36Å; E216-R220 WeakPolarHBondContact O-CB 3.4Å; E216-R220 VanDerWaalsContact O-CG 3.31Å; E216-R220 WeakPolarHBondContact O-CG 3.33Å; E216-R220 PolarHBondContact O-N 2.86Å; E216-R220 IonicContact OE1-CZ 2.81Å; E216-R220 VanDerWaalsContact OE1-CZ 3.29Å; E216-R220 IonicContact OE1-NE 2.87Å; E216-R220 PolarHBondContact OE1-NE 2.72Å; E216-R220 IonicContact OE1-NH2 3.68Å; E216-R220 PolarHBondContact OE1-NH2 3.5Å; E216-Y254 HydrophobicContact CB-CE1 4.09Å; E216-Y254 HydrophobicContact CG-CE1 3.82Å; E216-Y254 VanDerWaalsContact CG-OH 3.25Å; E216-Y254 WeakPolarHBondContact CG-OH 2.99Å
217A98.7Very high94.9Very high0 Ų049.7 Ų49.70%026%0.256CS..Hα-helixtrans-58.7-46.2178.500000113.1G213 E214 T215 R220 L221 Y254 C259 L260G213-A217 WeakPolarHBondContact O-CB 3.47Å; G213-A217 PolarHBondContact O-N 3.41Å; E214-A217 WeakPolarHBondContact O-CB 3.33Å; E214-A217 PolarHBondContact O-N 3.09Å; E214-A217 VanDerWaalsContact O-N 3.12Å; T215-A217 VanDerWaalsContact C-N 3.34Å; A217-R220 PolarHBondContact O-N 3.06Å; A217-L221 WeakPolarHBondContact O-CB 3.4Å; A217-L221 PolarHBondContact O-N 3.38Å; A217-Y254 HydrophobicContact CB-CD1 3.46Å; A217-Y254 VanDerWaalsContact CB-CD1 3.46Å; A217-Y254 HydrophobicContact CB-CE1 4.3Å; A217-Y254 HydrophobicContact CB-CG 3.67Å; A217-C259 HydrophobicContact CB-CB 4.06Å; A217-L260 HydrophobicContact CB-CB 4.04Å
218L98.5Very high93Very high53 Ų5352.4 Ų52.428%0.27725%0.254SS..Hα-helixtrans-67.7-41.2177.8-68.1175.7000111.4E214 E216 R220 L221 E222 L260 L264E214-L218 HydrophobicContact CG-CD1 3.97Å; E214-L218 HydrophobicContact CG-CG 4.32Å; E214-L218 WeakPolarHBondContact O-CG 3.3Å; E214-L218 PolarHBondContact O-N 3.06Å; E216-L218 PolarHBondContact O-N 3.49Å; L218-R220 VanDerWaalsContact C-N 3.34Å; L218-R220 PolarHBondContact O-N 3.33Å; L218-L221 WeakPolarHBondContact O-CB 3.39Å; L218-L221 PolarHBondContact O-N 2.78Å; L218-E222 PolarHBondContact O-N 2.77Å; L218-L260 HydrophobicContact CD2-CD1 4.4Å; L218-L264 HydrophobicContact CD2-CD2 3.75Å
219T98.2Very high91Very high43 Ų4355.6 Ų55.626%0.26428%0.28SS..Hα-helixtrans-59.3-44.6174.4-59.40000111.5T215 E216 E222 R223T215-T219 WeakPolarHBondContact O-CB 3.16Å; T215-T219 PolarHBondContact O-N 3.17Å; T215-T219 VanDerWaalsContact O-N 3.08Å; T215-T219 PolarHBondContact O-OG1 3.5Å; E216-T219 PolarHBondContact O-N 2.89Å; T219-E222 PolarHBondContact O-N 3.09Å; T219-R223 WeakPolarHBondContact O-CG 3.32Å; T219-R223 PolarHBondContact O-N 2.95Å
220R97.4Very high89.1Confident13 Ų1357 Ų575%0.04928%0.279CS..Hα-helixtrans-68.2-35.6176.8-69.8-170-179.9-137.10.9112.5V209 E216 A217 L218 R223 H224 S247 P248 G250 L251 Y254V209-R220 PolarHBondContact O-NH2 3.11Å; E216-R220 HydrophobicContact CG-CG 4.36Å; E216-R220 WeakPolarHBondContact O-CB 3.4Å; E216-R220 VanDerWaalsContact O-CG 3.31Å; E216-R220 WeakPolarHBondContact O-CG 3.33Å; E216-R220 PolarHBondContact O-N 2.86Å; E216-R220 IonicContact OE1-CZ 2.81Å; E216-R220 VanDerWaalsContact OE1-CZ 3.29Å; E216-R220 IonicContact OE1-NE 2.87Å; E216-R220 PolarHBondContact OE1-NE 2.72Å; E216-R220 IonicContact OE1-NH2 3.68Å; E216-R220 PolarHBondContact OE1-NH2 3.5Å; A217-R220 PolarHBondContact O-N 3.06Å; L218-R220 VanDerWaalsContact C-N 3.34Å; L218-R220 PolarHBondContact O-N 3.33Å; R220-R223 PolarHBondContact O-N 3.47Å; R220-H224 WeakPolarHBondContact O-CB 3.43Å; R220-H224 PolarHBondContact O-N 3.18Å; R220-S247 PolarHBondContact NH1-O 2.89Å; R220-P248 WeakPolarHBondContact CG-O 3.49Å; R220-G250 WeakPolarHBondContact CD-O 3.4Å; R220-L251 HydrophobicContact CB-CD2 3.71Å; R220-Y254 VanDerWaalsContact CD-CE2 3.45Å; R220-Y254 PolarHBondContact NE-OH 3.22Å; R220-Y254 VanDerWaalsContact NE-OH 3.09Å
221L96.6Very high86.9Confident6 Ų656.8 Ų56.83%0.03128%0.279CS..Hα-helixtrans-60.4-46.1174.8174.367.3000110.8A217 L218 H224 L225 L251 L260 L264 F265 K268A217-L221 WeakPolarHBondContact O-CB 3.4Å; A217-L221 PolarHBondContact O-N 3.38Å; L218-L221 WeakPolarHBondContact O-CB 3.39Å; L218-L221 PolarHBondContact O-N 2.78Å; L221-H224 WeakPolarHBondContact O-CB 3.45Å; L221-H224 PolarHBondContact O-N 2.63Å; L221-L225 HydrophobicContact CD1-CD1 3.98Å; L221-L225 HydrophobicContact CD1-CG 4.22Å; L221-L225 HydrophobicContact CG-CD1 3.98Å; L221-L225 VanDerWaalsContact O-CG 3.25Å; L221-L225 WeakPolarHBondContact O-CG 3.3Å; L221-L225 PolarHBondContact O-N 2.6Å; L221-L251 HydrophobicContact CB-CD2 4.4Å; L221-L251 HydrophobicContact CD1-CD1 4.09Å; L221-L260 HydrophobicContact CB-CD1 4.5Å; L221-L260 HydrophobicContact CD2-CD1 3.89Å; L221-L264 HydrophobicContact CD2-CD2 4.14Å; L221-L264 HydrophobicContact CD2-CG 4.26Å; L221-F265 HydrophobicContact CD1-CD2 3.5Å; L221-F265 VanDerWaalsContact CD1-CD2 3.5Å; L221-F265 HydrophobicContact CD1-CE2 4.05Å; L221-F265 HydrophobicContact CD1-CG 4.31Å; L221-K268 HydrophobicContact CD2-CG 4.37Å
222E94.9Very high84.5Confident123 Ų12356.1 Ų56.158%0.57528%0.276SS*.Hα-helixtrans-59.1-51.5177.1-70.7177.7173.600111.2L218 T219 H224 L225 E226L218-E222 PolarHBondContact O-N 2.77Å; T219-E222 PolarHBondContact O-N 3.09Å; E222-H224 PolarHBondContact O-N 3.02Å; E222-L225 PolarHBondContact O-N 2.71Å; E222-L225 VanDerWaalsContact O-N 3.08Å; E222-E226 WeakPolarHBondContact O-CG 3.45Å; E222-E226 PolarHBondContact O-N 3.12Å
223R93.5Very high82.5Confident118 Ų11860.7 Ų60.745%0.44530%0.299SS..Hα-helixtrans-59-35.6175.8-66.9175.9-177.8165.43112.9T219 R220 T249T219-R223 WeakPolarHBondContact O-CG 3.32Å; T219-R223 PolarHBondContact O-N 2.95Å; R220-R223 PolarHBondContact O-N 3.47Å; R223-T249 HydrophobicContact CB-CG2 4.09Å
224H90.6Very high80.6Confident28 Ų2863.2 Ų63.213%0.1331%0.31CS..Hα-helixtrans-63.1-43.6176.4-175.2100.6000111.4R220 L221 E222 W230 T249 L251 F265R220-H224 WeakPolarHBondContact O-CB 3.43Å; R220-H224 PolarHBondContact O-N 3.18Å; L221-H224 WeakPolarHBondContact O-CB 3.45Å; L221-H224 PolarHBondContact O-N 2.63Å; E222-H224 PolarHBondContact O-N 3.02Å; H224-W230 AromaticContact NE2-CZ3 3.71Å; H224-T249 PolarHBondContact ND1-O 3.32Å; H224-L251 HydrophobicContact CB-CD1 4.16Å; H224-F265 AromaticContact CD2-CE2 3.98Å; H224-F265 AromaticContact NE2-CE2 3.99Å; H224-F265 AromaticContact NE2-CZ 3.87Å
225L88.2Confident78.6Confident29 Ų2969.3 Ų69.315%0.15234%0.339CS..Hα-helixtrans-75.9-28.9-179.7-62.3168.1000112.4L221 E222 R227 K268 L269 L272L221-L225 HydrophobicContact CD1-CD1 3.98Å; L221-L225 HydrophobicContact CD1-CG 4.22Å; L221-L225 HydrophobicContact CG-CD1 3.98Å; L221-L225 VanDerWaalsContact O-CG 3.25Å; L221-L225 WeakPolarHBondContact O-CG 3.3Å; L221-L225 PolarHBondContact O-N 2.6Å; E222-L225 PolarHBondContact O-N 2.71Å; E222-L225 VanDerWaalsContact O-N 3.08Å; L225-R227 PolarHBondContact O-N 2.94Å; L225-K268 HydrophobicContact CD1-CB 3.75Å; L225-K268 HydrophobicContact CD1-CD 4.3Å; L225-K268 HydrophobicContact CD1-CG 4.27Å; L225-K268 HydrophobicContact CD2-CB 4.35Å; L225-L269 HydrophobicContact CD2-CD2 4.12Å; L225-L272 HydrophobicContact CB-CD2 3.98Å; L225-L272 HydrophobicContact CD2-CD2 3.66Å; L225-L272 HydrophobicContact CG-CD2 4.42Å
226E85.6Confident76.7Confident133 Ų13376.2 Ų76.262%0.62136%0.357SS*.Hα-helixtrans-68.6-14.3176.7-78.5179.717000114.4E222 K228E222-E226 WeakPolarHBondContact O-CG 3.45Å; E222-E226 PolarHBondContact O-N 3.12Å; E226-K228 WeakPolarHBondContact O-CG 3.39Å; E226-K228 PolarHBondContact O-N 2.9Å
227R74.6Confident74.8Confident125 Ų12577.8 Ų77.847%0.47237%0.371SS..  trans-73.664.1179.4-162.1172.7139.6167.9-4.9111L225 A229 W230 V231L225-R227 PolarHBondContact O-N 2.94Å; R227-A229 VanDerWaalsContact C-N 3.29Å; R227-A229 PolarHBondContact O-N 2.7Å; R227-A229 VanDerWaalsContact O-N 3.14Å; R227-W230 HydrophobicContact CG-CB 4.09Å; R227-W230 PolarHBondContact O-N 3.43Å; R227-V231 WeakPolarHBondContact O-CG2 3.34Å; R227-V231 PolarHBondContact O-N 3.03Å
228K53.9Low73.3Confident169 Ų16989 Ų8974%0.73541%0.413SS*.Hα-helixtrans-51.5-37.5-168.8-76.5174.5-177.11770113.8E226 A232E226-K228 WeakPolarHBondContact O-CG 3.39Å; E226-K228 PolarHBondContact O-N 2.9Å; K228-A232 WeakPolarHBondContact O-CB 3.43Å; K228-A232 PolarHBondContact O-N 3.38Å
229A52.7Low72Confident82 Ų8289.1 Ų89.168%0.67841%0.413SS*.Hα-helixtrans-71.3-33.4-179.800000113.4R227R227-A229 VanDerWaalsContact C-N 3.29Å; R227-A229 PolarHBondContact O-N 2.7Å; R227-A229 VanDerWaalsContact O-N 3.14Å
230W57.4Low70.9Confident89 Ų8990.9 Ų90.934%0.33742%0.421SS..Hα-helixtrans-76.5-43177.2-178.472.2000111.1H224 R227 A232 F234H224-W230 AromaticContact NE2-CZ3 3.71Å; R227-W230 HydrophobicContact CG-CB 4.09Å; R227-W230 PolarHBondContact O-N 3.43Å; W230-A232 VanDerWaalsContact C-N 3.35Å; W230-A232 PolarHBondContact O-N 3.17Å; W230-F234 PolarHBondContact O-N 2.66Å
231V51.5Low70Confident3 Ų391.6 Ų91.62%0.01843%0.43CS..Hα-helixtrans-62.6-40.9174.6173.50000110.8R227 N233 F234 L272 V276R227-V231 WeakPolarHBondContact O-CG2 3.34Å; R227-V231 PolarHBondContact O-N 3.03Å; V231-N233 VanDerWaalsContact C-N 3.34Å; V231-N233 PolarHBondContact O-N 3.4Å; V231-F234 HydrophobicContact CG1-CE1 4.03Å; V231-F234 HydrophobicContact CG1-CZ 3.77Å; V231-F234 WeakPolarHBondContact O-CD1 3.43Å; V231-F234 WeakPolarHBondContact O-CD2 3.42Å; V231-F234 WeakPolarHBondContact O-CE1 3.41Å; V231-F234 WeakPolarHBondContact O-CE2 3.41Å; V231-F234 VanDerWaalsContact O-CG 3.29Å; V231-F234 WeakPolarHBondContact O-CG 3.36Å; V231-F234 WeakPolarHBondContact O-CZ 3.38Å; V231-F234 PolarHBondContact O-N 3.48Å; V231-L272 HydrophobicContact CB-CD2 4.12Å; V231-L272 HydrophobicContact CG1-CD1 4.03Å; V231-L272 HydrophobicContact CG1-CD2 3.3Å; V231-L272 HydrophobicContact CG1-CG 3.37Å; V231-L272 HydrophobicContact CG2-CD2 3.73Å; V231-V276 HydrophobicContact CG1-CG2 4.38Å
232A49.1Very low69.5Low30 Ų3097.2 Ų97.225%0.24846%0.46CS..Hα-helixtrans-67.9-31-172.400000114.8K228 W230 V276 K277K228-A232 WeakPolarHBondContact O-CB 3.43Å; K228-A232 PolarHBondContact O-N 3.38Å; W230-A232 VanDerWaalsContact C-N 3.35Å; W230-A232 PolarHBondContact O-N 3.17Å; A232-V276 HydrophobicContact CB-CG1 4.05Å; A232-K277 VanDerWaalsContact O-CE 3.27Å; A232-K277 WeakPolarHBondContact O-CE 3.19Å; A232-K277 PolarHBondContact O-NZ 3.33Å
233N57Low69.1Low105 Ų10593.2 Ų93.256%0.56145%0.445SS*.Hα-helixtrans-91.1-24.3-179.1-70.9-7.5000112.7V231 E235V231-N233 VanDerWaalsContact C-N 3.34Å; V231-N233 PolarHBondContact O-N 3.4Å; N233-E235 HydrophobicContact CB-CB 4.45Å; N233-E235 HydrophobicContact CB-CG 4.36Å; N233-E235 PolarHBondContact O-N 2.95Å
234F58.6Low69Low53 Ų5387.6 Ų87.623%0.23242%0.424CS..  trans4717.5-173.9-61.5-70.8000114W230 V231 F273 K277 L286W230-F234 PolarHBondContact O-N 2.66Å; V231-F234 HydrophobicContact CG1-CE1 4.03Å; V231-F234 HydrophobicContact CG1-CZ 3.77Å; V231-F234 WeakPolarHBondContact O-CD1 3.43Å; V231-F234 WeakPolarHBondContact O-CD2 3.42Å; V231-F234 WeakPolarHBondContact O-CE1 3.41Å; V231-F234 WeakPolarHBondContact O-CE2 3.41Å; V231-F234 VanDerWaalsContact O-CG 3.29Å; V231-F234 WeakPolarHBondContact O-CG 3.36Å; V231-F234 WeakPolarHBondContact O-CZ 3.38Å; V231-F234 PolarHBondContact O-N 3.48Å; F234-F273 AromaticContact CD1-CD2 3.91Å; F234-F273 HydrophobicContact CD1-CD2 3.91Å; F234-F273 HydrophobicContact CD1-CE2 4.39Å; F234-F273 AromaticContact CD2-CD2 3.49Å; F234-F273 HydrophobicContact CD2-CD2 3.49Å; F234-F273 VanDerWaalsContact CD2-CD2 3.49Å; F234-F273 AromaticContact CD2-CE2 3.5Å; F234-F273 HydrophobicContact CD2-CE2 3.5Å; F234-F273 VanDerWaalsContact CD2-CE2 3.5Å; F234-F273 HydrophobicContact CE1-CB 4.28Å; F234-F273 AromaticContact CE1-CD2 3.62Å; F234-F273 HydrophobicContact CE1-CD2 3.62Å; F234-F273 HydrophobicContact CE1-CE2 4.48Å; F234-F273 HydrophobicContact CE1-CG 4.42Å; F234-F273 HydrophobicContact CE2-CB 4.3Å; F234-F273 AromaticContact CE2-CD2 3.17Å; F234-F273 HydrophobicContact CE2-CD2 3.17Å; F234-F273 AromaticContact CE2-CE2 3.62Å; F234-F273 HydrophobicContact CE2-CE2 3.62Å; F234-F273 AromaticContact CE2-CG 3.96Å; F234-F273 HydrophobicContact CE2-CG 3.96Å; F234-F273 AromaticContact CG-CD2 3.86Å; F234-F273 HydrophobicContact CG-CD2 3.86Å; F234-F273 AromaticContact CG-CE2 3.92Å; F234-F273 HydrophobicContact CG-CE2 3.92Å; F234-F273 HydrophobicContact CZ-CB 3.74Å; F234-F273 AromaticContact CZ-CD2 3.25Å; F234-F273 HydrophobicContact CZ-CD2 3.25Å; F234-F273 HydrophobicContact CZ-CE2 4.14Å; F234-F273 AromaticContact CZ-CG 3.86Å; F234-F273 HydrophobicContact CZ-CG 3.86Å; F234-K277 HydrophobicContact CD2-CD 4.48Å; F234-K277 VanDerWaalsContact CD2-CE 3.48Å; F234-K277 HydrophobicContact CD2-CG 4.14Å; F234-K277 HydrophobicContact CE2-CD 4.48Å; F234-K277 HydrophobicContact CE2-CG 3.81Å; F234-L286 HydrophobicContact CD1-CD1 3.45Å; F234-L286 VanDerWaalsContact CD1-CD1 3.45Å; F234-L286 HydrophobicContact CE1-CD1 3.43Å; F234-L286 VanDerWaalsContact CE1-CD1 3.43Å
235E56.4Low69.2Low144 Ų14488.4 Ų88.467%0.67343%0.429SS*.PPolyproline II helixtrans-79.8144.6173.4-72.8-176.6170.800108.5N233 P237N233-E235 HydrophobicContact CB-CB 4.45Å; N233-E235 HydrophobicContact CB-CG 4.36Å; N233-E235 PolarHBondContact O-N 2.95Å; E235-P237 WeakPolarHBondContact O-CD 3.47Å; E235-P237 VanDerWaalsContact O-N 3.11Å
236R57.8Low69.4Low211 Ų21188.2 Ų88.280%0.79643%0.432SS*.PPolyproline II helixtrans-60.2119.3175.1-73.1-175.2178.1-178.70.6108.2R238R236-R238 PolarHBondContact O-N 3.39Å
237P60.4Low69.6Low76 Ų7683.7 Ų83.749%0.49442%0.415SS..PPolyproline II helixtrans-61132.5-177.124.4-31.3000109.2E235 M239E235-P237 WeakPolarHBondContact O-CD 3.47Å; E235-P237 VanDerWaalsContact O-N 3.11Å; P237-M239 PolarHBondContact O-N 3.27Å
238R66.5Low70.4Confident236 Ų23681.5 Ų81.589%0.89142%0.417SS*.PPolyproline II helixtrans-64.7128.8171.4-71-174.1-177.71791.9108.6R236R236-R238 PolarHBondContact O-N 3.39Å
239M71.8Confident72.1Confident56 Ų5674.6 Ų74.628%0.27639%0.389SS..PPolyproline II helixtrans-64.3139.7177.4-170.6-165.1-169.700110.2P237 L244 L356 T422P237-M239 PolarHBondContact O-N 3.27Å; M239-L244 HydrophobicContact CE-CD2 3.3Å; M239-L244 HydrophobicContact CE-CG 4.02Å; M239-L356 HydrophobicContact CB-CD1 4.31Å; M239-L356 HydrophobicContact CE-CB 3.97Å; M239-L356 HydrophobicContact CE-CD1 4.12Å; M239-L356 HydrophobicContact CG-CD1 4.15Å; M239-L356 HydrophobicContact SD-CB 4.17Å; M239-L356 HydrophobicContact SD-CD1 3.27Å; M239-L356 WeakPolarHBondContact SD-CD1 3.36Å; M239-L356 HydrophobicContact SD-CG 4.33Å; M239-T422 HydrophobicContact CE-CG2 3.46Å; M239-T422 VanDerWaalsContact CE-CG2 3.46Å; M239-T422 HydrophobicContact CG-CG2 4.3Å; M239-T422 HydrophobicContact SD-CG2 3.7Å
240N75.2Confident74.1Confident80 Ų8071.4 Ų71.443%0.42836%0.364SS..  trans-140.5174.1169.359.627.6000109.8N242 S243N240-N242 VanDerWaalsContact C-N 3.27Å; N240-N242 PolarHBondContact O-N 2.82Å; N240-N242 PolarHBondContact OD1-N 3.42Å; N240-S243 PolarHBondContact N-OG 3.06Å; N240-S243 WeakPolarHBondContact O-CB 3.48Å; N240-S243 PolarHBondContact O-N 3.05Å; N240-S243 PolarHBondContact O-OG 3.21Å; N240-S243 PolarHBondContact OD1-N 2.81Å; N240-S243 VanDerWaalsContact OD1-N 3.07Å; N240-S243 PolarHBondContact OD1-OG 3.22Å
241A78.7Confident76Confident28 Ų2867.7 Ų67.723%0.23135%0.35CS..G310 helixtrans-51.1-43.317900000113.2S243 L244 T422 D423A241-S243 PolarHBondContact O-N 3.41Å; A241-L244 VanDerWaalsContact O-CB 3.3Å; A241-L244 WeakPolarHBondContact O-CB 3.44Å; A241-L244 PolarHBondContact O-N 3.38Å; A241-T422 PolarHBondContact N-O 2.76Å; A241-D423 HydrophobicContact CB-CB 3.7Å
242N84.5Confident78.2Confident124 Ų12469.4 Ų69.466%0.66336%0.363SS*.G310 helixtrans-63.3-24.4179.2-71.8-19.3000113.4N240 L244 L245N240-N242 VanDerWaalsContact C-N 3.27Å; N240-N242 PolarHBondContact O-N 2.82Å; N240-N242 PolarHBondContact OD1-N 3.42Å; N242-L244 PolarHBondContact O-N 3.42Å; N242-L245 PolarHBondContact O-N 3.05Å
243S87.4Confident80.6Confident39 Ų3968 Ų6827%0.27335%0.351SS..G310 helixtrans-70.2-17.1177.5-52.90000112.9N240 A241 L245 H354N240-S243 PolarHBondContact N-OG 3.06Å; N240-S243 WeakPolarHBondContact O-CB 3.48Å; N240-S243 PolarHBondContact O-N 3.05Å; N240-S243 PolarHBondContact O-OG 3.21Å; N240-S243 PolarHBondContact OD1-N 2.81Å; N240-S243 VanDerWaalsContact OD1-N 3.07Å; N240-S243 PolarHBondContact OD1-OG 3.22Å; A241-S243 PolarHBondContact O-N 3.41Å; S243-L245 VanDerWaalsContact C-N 3.34Å; S243-H354 PolarHBondContact O-CD2 3.39Å
244L91.2Very high82.6Confident0 Ų063 Ų630%032%0.324CS..G310 helixtrans-75.8-24.6176.1-64.3170.5000112.7M239 A241 N242 W339 Q346 H354 A357 T422 Y428M239-L244 HydrophobicContact CE-CD2 3.3Å; M239-L244 HydrophobicContact CE-CG 4.02Å; A241-L244 VanDerWaalsContact O-CB 3.3Å; A241-L244 WeakPolarHBondContact O-CB 3.44Å; A241-L244 PolarHBondContact O-N 3.38Å; N242-L244 PolarHBondContact O-N 3.42Å; L244-W339 HydrophobicContact CD1-CH2 3.61Å; L244-W339 HydrophobicContact CD1-CZ3 3.72Å; L244-W339 HydrophobicContact CD2-CH2 3.8Å; L244-W339 HydrophobicContact CG-CH2 4.37Å; L244-Q346 PolarHBondContact O-NE2 3.45Å; L244-Q346 PolarHBondContact O-OE1 3.34Å; L244-H354 HydrophobicContact CD2-CB 4.34Å; L244-A357 HydrophobicContact CD2-CB 4.48Å; L244-T422 HydrophobicContact CD1-CG2 3.86Å; L244-T422 HydrophobicContact CD2-CG2 4.42Å; L244-T422 HydrophobicContact CG-CG2 4.22Å; L244-Y428 HydrophobicContact CB-CD2 3.74Å; L244-Y428 HydrophobicContact CB-CE2 3.72Å; L244-Y428 HydrophobicContact CD1-CD1 4.2Å; L244-Y428 HydrophobicContact CD1-CD2 3.88Å; L244-Y428 HydrophobicContact CD1-CE2 4.32Å; L244-Y428 HydrophobicContact CD1-CG 3.8Å; L244-Y428 HydrophobicContact CG-CD2 4.45Å
245L93.8Very high84.5Confident45 Ų4561.4 Ų61.424%0.23632%0.318CS..SBendtrans-81.2152-177.9-55.7-178.7000110.9N242 S243 S247 Y428 Y432N242-L245 PolarHBondContact O-N 3.05Å; S243-L245 VanDerWaalsContact C-N 3.34Å; L245-S247 PolarHBondContact O-N 3.25Å; L245-Y428 HydrophobicContact CD2-CD2 4.14Å; L245-Y428 HydrophobicContact CD2-CE2 4.45Å; L245-Y432 HydrophobicContact CD2-CE2 3.99Å
246A92.4Very high86.5Confident25 Ų2556 Ų5621%0.20729%0.292CS..PPolyproline II helixtrans-56.7121.2172.600000110.6V209 W210V209-A246 HydrophobicContact CG1-CB 3.43Å; V209-A246 VanDerWaalsContact CG1-CB 3.43Å; W210-A246 HydrophobicContact CZ2-CB 3.54Å
247S91.6Very high88.4Confident37 Ų3746.6 Ų46.626%0.25926%0.256SS..PPolyproline II helixtrans-86.5137.4179.2-178.90000110.8R220 L245 T249 G250R220-S247 PolarHBondContact NH1-O 2.89Å; L245-S247 PolarHBondContact O-N 3.25Å; S247-T249 PolarHBondContact O-N 2.67Å; S247-T249 PolarHBondContact OG-N 3.45Å; S247-T249 VanDerWaalsContact OG-N 3.14Å; S247-T249 PolarHBondContact OG-OG1 3.32Å; S247-G250 PolarHBondContact O-N 3.04Å
248P90.3Very high90.2Very high79 Ų7943 Ų4351%0.51323%0.233SC..THydrogen-bonded Turntrans-65.5-3.7169.730-36.2000113.1R220R220-P248 WeakPolarHBondContact CG-O 3.49Å
249T90.2Very high91.8Very high24 Ų2431.8 Ų31.815%0.14719%0.191CC..THydrogen-bonded Turntrans-109.88.7174.472.10000113.1R223 H224 S247R223-T249 HydrophobicContact CB-CG2 4.09Å; H224-T249 PolarHBondContact ND1-O 3.32Å; S247-T249 PolarHBondContact O-N 2.67Å; S247-T249 PolarHBondContact OG-N 3.45Å; S247-T249 VanDerWaalsContact OG-N 3.14Å; S247-T249 PolarHBondContact OG-OG1 3.32Å
250G94.3Very high93Very high15 Ų1529.1 Ų29.116%0.15518%0.178CC..  trans-73.4139.5179.300000111.6R220 S247R220-G250 WeakPolarHBondContact CD-O 3.4Å; S247-G250 PolarHBondContact O-N 3.04Å
251L97.5Very high94.2Very high11 Ų1125.3 Ų25.36%0.05816%0.157CC..  trans-122-8.8-171.7-58.1177.2000113.8R220 L221 H224 Y254 L255 L260 F265R220-L251 HydrophobicContact CB-CD2 3.71Å; L221-L251 HydrophobicContact CB-CD2 4.4Å; L221-L251 HydrophobicContact CD1-CD1 4.09Å; H224-L251 HydrophobicContact CB-CD1 4.16Å; L251-Y254 PolarHBondContact O-N 2.99Å; L251-L255 HydrophobicContact CB-CD1 4.43Å; L251-L255 WeakPolarHBondContact O-CG 3.44Å; L251-L255 PolarHBondContact O-N 3.35Å; L251-L260 HydrophobicContact CB-CD2 4.13Å; L251-L260 HydrophobicContact CD1-CD2 4.03Å; L251-L260 HydrophobicContact CD2-CD2 4.09Å; L251-L260 HydrophobicContact CG-CD2 4.3Å; L251-F265 HydrophobicContact CD1-CD1 4.44Å; L251-F265 HydrophobicContact CD1-CD2 4.11Å; L251-F265 HydrophobicContact CD1-CE1 4.09Å; L251-F265 HydrophobicContact CD1-CE2 3.7Å; L251-F265 HydrophobicContact CD1-CG 4.47Å; L251-F265 HydrophobicContact CD1-CZ 3.7Å
252S97.9Very high95.1Very high40 Ų4024.2 Ų24.228%0.2815%0.148SC..Hα-helixtrans-65.5-40.2-168.755.10000114.9Y254 L255 R256 W352 D387S252-Y254 VanDerWaalsContact C-N 3.3Å; S252-Y254 PolarHBondContact O-N 2.98Å; S252-L255 PolarHBondContact O-N 3.23Å; S252-R256 PolarHBondContact O-N 3.48Å; S252-R256 VanDerWaalsContact O-N 3.13Å; S252-W352 PolarHBondContact OG-NE1 2.68Å; S252-D387 WeakPolarHBondContact CB-OD2 3.46Å; S252-D387 PolarHBondContact OG-OD2 3.4Å
253P98.6Very high95.8Very high0 Ų018.6 Ų18.60%012%0.117CC..Hα-helixtrans-60.9-39.5173.7-26.438.4000112.4F54 W210 R256 F257 L386F54-P253 HydrophobicContact CD2-CB 4.45Å; F54-P253 HydrophobicContact CE1-CB 4.48Å; F54-P253 HydrophobicContact CE2-CB 3.72Å; F54-P253 HydrophobicContact CZ-CB 3.73Å; W210-P253 HydrophobicContact CD2-CG 4.15Å; W210-P253 HydrophobicContact CE3-CG 3.89Å; W210-P253 HydrophobicContact CZ3-CG 4.29Å; P253-R256 WeakPolarHBondContact O-CB 3.26Å; P253-R256 PolarHBondContact O-N 2.93Å; P253-F257 WeakPolarHBondContact O-CD2 3.43Å; P253-F257 PolarHBondContact O-N 3.5Å; P253-L386 HydrophobicContact CB-CB 3.97Å; P253-L386 HydrophobicContact CG-CB 4Å; P253-L386 HydrophobicContact CG-CD1 4.43Å
254Y98.8Very high96.3Very high0 Ų018.3 Ų18.30%011%0.112CC..Hα-helixtrans-70-36.2-177.7-52.6-82.9000112.6F54 W210 P211 E216 A217 R220 L251 S252 R256 G258 C259 L260F54-Y254 HydrophobicContact CE2-CD1 4.38Å; F54-Y254 AromaticContact CE2-CE1 3.95Å; F54-Y254 HydrophobicContact CE2-CE1 3.95Å; F54-Y254 AromaticContact CZ-CD1 3.71Å; F54-Y254 HydrophobicContact CZ-CD1 3.71Å; F54-Y254 AromaticContact CZ-CE1 3.71Å; F54-Y254 HydrophobicContact CZ-CE1 3.71Å; F54-Y254 HydrophobicContact CZ-CG 4.28Å; W210-Y254 AromaticContact CE3-CE2 3.99Å; W210-Y254 HydrophobicContact CE3-CE2 3.99Å; W210-Y254 HydrophobicContact CZ3-CE2 4.29Å; P211-Y254 WeakPolarHBondContact O-CE1 3.34Å; P211-Y254 VanDerWaalsContact O-CZ 3.32Å; P211-Y254 PolarHBondContact O-OH 3.44Å; E216-Y254 HydrophobicContact CB-CE1 4.09Å; E216-Y254 HydrophobicContact CG-CE1 3.82Å; E216-Y254 VanDerWaalsContact CG-OH 3.25Å; E216-Y254 WeakPolarHBondContact CG-OH 2.99Å; A217-Y254 HydrophobicContact CB-CD1 3.46Å; A217-Y254 VanDerWaalsContact CB-CD1 3.46Å; A217-Y254 HydrophobicContact CB-CE1 4.3Å; A217-Y254 HydrophobicContact CB-CG 3.67Å; R220-Y254 VanDerWaalsContact CD-CE2 3.45Å; R220-Y254 PolarHBondContact NE-OH 3.22Å; R220-Y254 VanDerWaalsContact NE-OH 3.09Å; L251-Y254 PolarHBondContact O-N 2.99Å; S252-Y254 VanDerWaalsContact C-N 3.3Å; S252-Y254 PolarHBondContact O-N 2.98Å; Y254-R256 VanDerWaalsContact C-N 3.31Å; Y254-G258 CarbonylContact O-C 3.56Å; Y254-G258 WeakPolarHBondContact O-CA 3.43Å; Y254-G258 PolarHBondContact O-N 3.44Å; Y254-C259 HydrophobicContact CD1-CB 4.14Å; Y254-C259 PolarHBondContact O-N 3.29Å; Y254-L260 PolarHBondContact O-N 3.13Å
255L98.6Very high96.6Very high19 Ų1919.1 Ų19.110%0.09912%0.116CC..Hα-helixtrans-67-33.9172.4-70.1168.4000112L251 S252 L260 C262 F265 L290L251-L255 HydrophobicContact CB-CD1 4.43Å; L251-L255 WeakPolarHBondContact O-CG 3.44Å; L251-L255 PolarHBondContact O-N 3.35Å; S252-L255 PolarHBondContact O-N 3.23Å; L255-L260 HydrophobicContact CD2-CB 4.23Å; L255-L260 HydrophobicContact CD2-CD2 4.01Å; L255-L260 HydrophobicContact CD2-CG 3.99Å; L255-L260 HydrophobicContact CG-CD2 4.29Å; L255-C262 HydrophobicContact CD2-CB 4.22Å; L255-F265 HydrophobicContact CD1-CD1 4.21Å; L255-F265 HydrophobicContact CD1-CE1 4.44Å; L255-F265 HydrophobicContact CD2-CD1 4.42Å; L255-L290 HydrophobicContact CD1-CD2 4.19Å; L255-L290 HydrophobicContact CD2-CD2 4.41Å
256R98.2Very high96.8Very high32 Ų3218.8 Ų18.812%0.12111%0.112CC..Hα-helixtrans-67.3-52.9178.7-178.2-84.3-179.1165.32.4111.6R51 H130 S252 P253 Y254 G258 L386 D387 A388 D389R51-R256 VanDerWaalsContact CZ-NH2 3.25Å; H130-R256 PolarHBondContact CE1-O 3.49Å; H130-R256 VanDerWaalsContact CE1-O 3.29Å; S252-R256 PolarHBondContact O-N 3.48Å; S252-R256 VanDerWaalsContact O-N 3.13Å; P253-R256 WeakPolarHBondContact O-CB 3.26Å; P253-R256 PolarHBondContact O-N 2.93Å; Y254-R256 VanDerWaalsContact C-N 3.31Å; R256-G258 PolarHBondContact O-N 3.36Å; R256-L386 WeakPolarHBondContact CD-O 3.45Å; R256-D387 HydrophobicContact CB-CB 4.39Å; R256-A388 PolarHBondContact NE-O 3.41Å; R256-A388 PolarHBondContact NH2-O 2.89Å; R256-A388 VanDerWaalsContact NH2-O 3.13Å; R256-D389 WeakPolarHBondContact CG-OD1 3.41Å; R256-D389 IonicContact NE-OD1 2.82Å
257F98.4Very high97Very high13 Ų1319.3 Ų19.36%0.05711%0.109CC..Hα-helixtrans-76.4-9.9179-77.2-94.3000113K11 G12 L13 F54 L55 P253 C259 L386K11-F257 CarbonylContact C-O 3.52Å; G12-F257 PolarHBondContact N-O 2.77Å; L13-F257 HydrophobicContact CD1-CB 4.45Å; L13-F257 HydrophobicContact CD1-CD1 4.28Å; L13-F257 PolarHBondContact N-O 3.05Å; F54-F257 HydrophobicContact CB-CE2 4.45Å; F54-F257 HydrophobicContact CB-CZ 4.38Å; F54-F257 HydrophobicContact CD1-CD1 4.21Å; F54-F257 AromaticContact CD1-CD2 3.39Å; F54-F257 HydrophobicContact CD1-CD2 3.39Å; F54-F257 HydrophobicContact CD1-CE1 4.19Å; F54-F257 AromaticContact CD1-CE2 3.37Å; F54-F257 HydrophobicContact CD1-CE2 3.37Å; F54-F257 AromaticContact CD1-CG 3.81Å; F54-F257 HydrophobicContact CD1-CG 3.81Å; F54-F257 AromaticContact CD1-CZ 3.76Å; F54-F257 HydrophobicContact CD1-CZ 3.76Å; F54-F257 HydrophobicContact CE1-CB 4Å; F54-F257 AromaticContact CE1-CD2 3.38Å; F54-F257 HydrophobicContact CE1-CD2 3.38Å; F54-F257 AromaticContact CE1-CE2 3.86Å; F54-F257 HydrophobicContact CE1-CE2 3.86Å; F54-F257 AromaticContact CE1-CG 3.73Å; F54-F257 HydrophobicContact CE1-CG 3.73Å; F54-F257 HydrophobicContact CG-CD2 4.44Å; F54-F257 HydrophobicContact CG-CE2 4.07Å; F54-F257 HydrophobicContact CG-CZ 4.41Å; F54-F257 HydrophobicContact CZ-CD2 4.4Å; L55-F257 HydrophobicContact CB-CE1 3.91Å; L55-F257 HydrophobicContact CD1-CD1 4.28Å; L55-F257 HydrophobicContact CD1-CE1 4.15Å; P253-F257 WeakPolarHBondContact O-CD2 3.43Å; P253-F257 PolarHBondContact O-N 3.5Å; F257-C259 VanDerWaalsContact C-N 3.29Å; F257-L386 WeakPolarHBondContact CE2-O 3.26Å
258G98.4Very high97.2Very high0 Ų022.3 Ų22.30%012%0.118CC..THydrogen-bonded Turntrans76.116.2-177.200000113.5L13 R14 Y254 R256 L260L13-G258 PolarHBondContact N-O 3.13Å; R14-G258 WeakPolarHBondContact CD-O 3.46Å; R14-G258 WeakPolarHBondContact CG-O 3.44Å; R14-G258 PolarHBondContact NH1-O 2.97Å; Y254-G258 CarbonylContact O-C 3.56Å; Y254-G258 WeakPolarHBondContact O-CA 3.43Å; Y254-G258 PolarHBondContact O-N 3.44Å; R256-G258 PolarHBondContact O-N 3.36Å; G258-L260 PolarHBondContact O-N 3.06Å
259C98.8Very high97.2Very high0 Ų019 Ų190%010%0.096CC..SBendtrans-64.1-26.7168.8-48.10000111.5H16 S58 A217 Y254 F257H16-C259 PolarHBondContact CE1-O 3.03Å; H16-C259 VanDerWaalsContact CE1-O 3.25Å; S58-C259 PolarHBondContact OG-SG 2.81Å; A217-C259 HydrophobicContact CB-CB 4.06Å; Y254-C259 HydrophobicContact CD1-CB 4.14Å; Y254-C259 PolarHBondContact O-N 3.29Å; F257-C259 VanDerWaalsContact C-N 3.29Å
260L98.8Very high97.3Very high1 Ų118 Ų181%0.0059%0.089CC..SBendtrans-115.9128.8168.6179.658.5000110A217 L218 L221 L251 Y254 L255 G258 C262 L264 F265A217-L260 HydrophobicContact CB-CB 4.04Å; L218-L260 HydrophobicContact CD2-CD1 4.4Å; L221-L260 HydrophobicContact CB-CD1 4.5Å; L221-L260 HydrophobicContact CD2-CD1 3.89Å; L251-L260 HydrophobicContact CB-CD2 4.13Å; L251-L260 HydrophobicContact CD1-CD2 4.03Å; L251-L260 HydrophobicContact CD2-CD2 4.09Å; L251-L260 HydrophobicContact CG-CD2 4.3Å; Y254-L260 PolarHBondContact O-N 3.13Å; L255-L260 HydrophobicContact CD2-CB 4.23Å; L255-L260 HydrophobicContact CD2-CD2 4.01Å; L255-L260 HydrophobicContact CD2-CG 3.99Å; L255-L260 HydrophobicContact CG-CD2 4.29Å; G258-L260 PolarHBondContact O-N 3.06Å; L260-C262 PolarHBondContact O-N 3.4Å; L260-L264 HydrophobicContact CD1-CD2 4.3Å; L260-F265 HydrophobicContact CD2-CB 4.32Å
261S98.8Very high97.2Very high0 Ų020.5 Ų20.50%010%0.1CC..  trans-66.6130169.1162.80000111.7H16 D17 R263 L264 F265H16-S261 WeakPolarHBondContact NE2-CB 3.12Å; H16-S261 PolarHBondContact NE2-N 2.98Å; D17-S261 VanDerWaalsContact OD2-CB 3.26Å; D17-S261 WeakPolarHBondContact OD2-CB 3.12Å; D17-S261 PolarHBondContact OD2-OG 2.86Å; S261-R263 VanDerWaalsContact C-N 3.29Å; S261-R263 PolarHBondContact O-N 3.47Å; S261-R263 PolarHBondContact OG-N 3.3Å; S261-L264 PolarHBondContact O-N 3.47Å; S261-L264 PolarHBondContact OG-N 3.19Å; S261-F265 PolarHBondContact O-N 3.23Å; S261-F265 VanDerWaalsContact O-N 3.07Å
262C98.4Very high96.8Very high4 Ų421.7 Ų21.73%0.02711%0.106CC..Hα-helixtrans-64-34.7171.365.50000112.1H130 T131 L132 L255 L260 F265 Y266 L290H130-C262 PolarHBondContact O-SG 3.31Å; T131-C262 VanDerWaalsContact C-SG 3.53Å; L132-C262 HydrophobicContact CD2-CB 4.17Å; L132-C262 WeakPolarHBondContact CD2-O 3.44Å; L255-C262 HydrophobicContact CD2-CB 4.22Å; L260-C262 PolarHBondContact O-N 3.4Å; C262-F265 PolarHBondContact O-N 2.94Å; C262-Y266 WeakPolarHBondContact O-CB 3.18Å; C262-Y266 PolarHBondContact O-N 3.41Å; C262-L290 HydrophobicContact CB-CD2 4.07Å
263R98.6Very high96.3Very high7 Ų720.4 Ų20.43%0.02610%0.095CC..Hα-helixtrans-69.1-45.6177.1-60.5-178.5-65.1-167-2.1110.9D17 P19 I128 L132 V163 E164 P166 S261 F265 Y266 F267D17-R263 IonicContact OD1-CZ 2.68Å; D17-R263 VanDerWaalsContact OD1-CZ 3.24Å; D17-R263 IonicContact OD1-NE 3.69Å; D17-R263 PolarHBondContact OD1-NE 3.38Å; D17-R263 IonicContact OD1-NH2 3.59Å; D17-R263 PolarHBondContact OD1-NH2 3.37Å; D17-R263 IonicContact OD2-CZ 2.63Å; D17-R263 IonicContact OD2-NE 3.98Å; D17-R263 PolarHBondContact OD2-NE 2.82Å; D17-R263 IonicContact OD2-NH2 3.95Å; D17-R263 PolarHBondContact OD2-NH2 2.8Å; P19-R263 VanDerWaalsContact CD-NH2 3.31Å; I128-R263 PolarHBondContact O-NH1 3.29Å; L132-R263 HydrophobicContact CD2-CG 4.08Å; V163-R263 HydrophobicContact CG1-CG 4.2Å; E164-R263 IonicContact OE2-NH1 3.26Å; P166-R263 HydrophobicContact CG-CB 4.11Å; S261-R263 VanDerWaalsContact C-N 3.29Å; S261-R263 PolarHBondContact O-N 3.47Å; S261-R263 PolarHBondContact OG-N 3.3Å; R263-F265 VanDerWaalsContact C-N 3.28Å; R263-F265 PolarHBondContact O-N 2.85Å; R263-Y266 WeakPolarHBondContact O-CB 3.43Å; R263-Y266 PolarHBondContact O-N 2.49Å; R263-F267 VanDerWaalsContact O-CD2 3.29Å; R263-F267 WeakPolarHBondContact O-CD2 3.17Å; R263-F267 PolarHBondContact O-N 3.24Å
264L98.5Very high95.9Very high32 Ų3225.2 Ų25.217%0.16811%0.113CC..Hα-helixtrans-56.7-46.8175178.762.3000110.6H16 P166 L218 L221 L260 S261 F267 K268H16-L264 VanDerWaalsContact CD2-CD2 3.44Å; H16-L264 WeakPolarHBondContact CD2-CD2 3.46Å; P166-L264 HydrophobicContact CG-CB 4.5Å; L218-L264 HydrophobicContact CD2-CD2 3.75Å; L221-L264 HydrophobicContact CD2-CD2 4.14Å; L221-L264 HydrophobicContact CD2-CG 4.26Å; L260-L264 HydrophobicContact CD1-CD2 4.3Å; S261-L264 PolarHBondContact O-N 3.47Å; S261-L264 PolarHBondContact OG-N 3.19Å; L264-F267 PolarHBondContact O-N 2.75Å; L264-K268 HydrophobicContact CD1-CG 4Å; L264-K268 HydrophobicContact CG-CG 4.33Å; L264-K268 WeakPolarHBondContact O-CB 3.26Å; L264-K268 VanDerWaalsContact O-CG 3.22Å; L264-K268 WeakPolarHBondContact O-CG 3.43Å; L264-K268 PolarHBondContact O-N 3.49Å
265F98.1Very high95.4Very high18 Ų1833.2 Ų33.28%0.07915%0.148CC..Hα-helixtrans-62.4-45.9178.2-177.4-148.8000112.1L221 H224 L251 L255 L260 S261 C262 R263 F267 K268 L269 L290L221-F265 HydrophobicContact CD1-CD2 3.5Å; L221-F265 VanDerWaalsContact CD1-CD2 3.5Å; L221-F265 HydrophobicContact CD1-CE2 4.05Å; L221-F265 HydrophobicContact CD1-CG 4.31Å; H224-F265 AromaticContact CD2-CE2 3.98Å; H224-F265 AromaticContact NE2-CE2 3.99Å; H224-F265 AromaticContact NE2-CZ 3.87Å; L251-F265 HydrophobicContact CD1-CD1 4.44Å; L251-F265 HydrophobicContact CD1-CD2 4.11Å; L251-F265 HydrophobicContact CD1-CE1 4.09Å; L251-F265 HydrophobicContact CD1-CE2 3.7Å; L251-F265 HydrophobicContact CD1-CG 4.47Å; L251-F265 HydrophobicContact CD1-CZ 3.7Å; L255-F265 HydrophobicContact CD1-CD1 4.21Å; L255-F265 HydrophobicContact CD1-CE1 4.44Å; L255-F265 HydrophobicContact CD2-CD1 4.42Å; L260-F265 HydrophobicContact CD2-CB 4.32Å; S261-F265 PolarHBondContact O-N 3.23Å; S261-F265 VanDerWaalsContact O-N 3.07Å; C262-F265 PolarHBondContact O-N 2.94Å; R263-F265 VanDerWaalsContact C-N 3.28Å; R263-F265 PolarHBondContact O-N 2.85Å; F265-F267 PolarHBondContact O-N 2.73Å; F265-K268 PolarHBondContact O-N 3.5Å; F265-L269 HydrophobicContact CD1-CD1 4.45Å; F265-L269 HydrophobicContact CD2-CD1 3.92Å; F265-L269 HydrophobicContact CD2-CG 3.81Å; F265-L269 HydrophobicContact CE1-CD1 4.07Å; F265-L269 HydrophobicContact CE2-CD1 3.5Å; F265-L269 HydrophobicContact CE2-CD2 3.8Å; F265-L269 HydrophobicContact CE2-CG 3.49Å; F265-L269 VanDerWaalsContact CE2-CG 3.49Å; F265-L269 HydrophobicContact CG-CD1 4.38Å; F265-L269 HydrophobicContact CZ-CD1 3.58Å; F265-L269 HydrophobicContact CZ-CD2 4.34Å; F265-L269 HydrophobicContact CZ-CG 4.09Å; F265-L269 WeakPolarHBondContact O-CB 3.44Å; F265-L269 WeakPolarHBondContact O-CG 3.38Å; F265-L269 PolarHBondContact O-N 3.24Å; F265-L290 HydrophobicContact CD1-CD1 3.88Å; F265-L290 HydrophobicContact CD1-CD2 4Å; F265-L290 HydrophobicContact CD1-CG 4.11Å; F265-L290 HydrophobicContact CE1-CD1 4.37Å; F265-L290 HydrophobicContact CE1-CG 4.36Å; F265-L290 HydrophobicContact CG-CD1 4.5Å
266Y97.1Very high94.7Very high38 Ų3835.2 Ų35.215%0.14916%0.161CC..Hα-helixtrans-54.6-50.3175.7176.4-88.9000112L132 V163 C262 R263 L269 T270 Y287L132-Y266 HydrophobicContact CD1-CD2 3.98Å; L132-Y266 HydrophobicContact CD2-CD2 4.42Å; L132-Y266 HydrophobicContact CD2-CG 4.16Å; V163-Y266 HydrophobicContact CB-CD1 4.24Å; V163-Y266 HydrophobicContact CB-CE1 4.01Å; V163-Y266 HydrophobicContact CG1-CD1 4.31Å; V163-Y266 HydrophobicContact CG2-CD1 4.22Å; V163-Y266 HydrophobicContact CG2-CE1 3.82Å; V163-Y266 HydrophobicContact CG2-CE2 4.3Å; C262-Y266 WeakPolarHBondContact O-CB 3.18Å; C262-Y266 PolarHBondContact O-N 3.41Å; R263-Y266 WeakPolarHBondContact O-CB 3.43Å; R263-Y266 PolarHBondContact O-N 2.49Å; Y266-L269 PolarHBondContact O-N 2.95Å; Y266-T270 WeakPolarHBondContact O-CB 3.25Å; Y266-T270 PolarHBondContact O-N 2.96Å; Y266-T270 PolarHBondContact O-OG1 3.04Å; Y266-Y287 AromaticContact CD2-CD1 3.46Å; Y266-Y287 HydrophobicContact CD2-CD1 3.46Å; Y266-Y287 VanDerWaalsContact CD2-CD1 3.46Å; Y266-Y287 HydrophobicContact CD2-CD2 4.17Å; Y266-Y287 AromaticContact CD2-CE1 3.65Å; Y266-Y287 HydrophobicContact CD2-CE1 3.65Å; Y266-Y287 HydrophobicContact CD2-CE2 4.32Å; Y266-Y287 AromaticContact CD2-CG 3.75Å; Y266-Y287 HydrophobicContact CD2-CG 3.75Å; Y266-Y287 AromaticContact CE2-CD1 3.68Å; Y266-Y287 HydrophobicContact CE2-CD1 3.68Å; Y266-Y287 AromaticContact CE2-CD2 3.54Å; Y266-Y287 HydrophobicContact CE2-CD2 3.54Å; Y266-Y287 AromaticContact CE2-CE1 3.67Å; Y266-Y287 HydrophobicContact CE2-CE1 3.67Å; Y266-Y287 AromaticContact CE2-CE2 3.52Å; Y266-Y287 HydrophobicContact CE2-CE2 3.52Å; Y266-Y287 AromaticContact CE2-CG 3.61Å; Y266-Y287 HydrophobicContact CE2-CG 3.61Å; Y266-Y287 AromaticContact CE2-CZ 3.58Å; Y266-Y287 HydrophobicContact CG-CD1 4.36Å; Y266-Y287 HydrophobicContact CG-CE1 4.27Å; Y266-Y287 AromaticContact CZ-CE2 3.96Å; Y266-Y287 AromaticContact CZ-CZ 3.9Å
267F96.8Very high94Very high35 Ų3537.6 Ų37.615%0.15417%0.172CC..Hα-helixtrans-68.4-40.7-179.2-83.5-78.9000112.7V163 E164 L165 P166 R263 L264 F265 L269 T270 D271V163-F267 HydrophobicContact CB-CE2 4.19Å; V163-F267 HydrophobicContact CB-CZ 4.39Å; V163-F267 HydrophobicContact CG1-CE2 3.94Å; V163-F267 WeakPolarHBondContact O-CZ 3.36Å; E164-F267 WeakPolarHBondContact O-CE2 3.41Å; L165-F267 HydrophobicContact CD2-CD1 4Å; L165-F267 HydrophobicContact CD2-CE1 3.5Å; L165-F267 HydrophobicContact CD2-CE2 4.22Å; L165-F267 HydrophobicContact CD2-CZ 3.62Å; L165-F267 HydrophobicContact CG-CZ 4.27Å; P166-F267 VanDerWaalsContact CD-CD2 3.48Å; P166-F267 HydrophobicContact CG-CD2 3.88Å; P166-F267 HydrophobicContact CG-CG 4.49Å; R263-F267 VanDerWaalsContact O-CD2 3.29Å; R263-F267 WeakPolarHBondContact O-CD2 3.17Å; R263-F267 PolarHBondContact O-N 3.24Å; L264-F267 PolarHBondContact O-N 2.75Å; F265-F267 PolarHBondContact O-N 2.73Å; F267-L269 VanDerWaalsContact C-N 3.33Å; F267-L269 PolarHBondContact O-N 3.04Å; F267-T270 WeakPolarHBondContact O-CB 3.39Å; F267-T270 PolarHBondContact O-N 3.36Å; F267-T270 VanDerWaalsContact O-N 3.16Å; F267-D271 WeakPolarHBondContact O-CB 3.28Å; F267-D271 VanDerWaalsContact O-CG 3.32Å; F267-D271 PolarHBondContact O-N 2.84Å
268K95.1Very high93.3Very high100 Ų10046.2 Ų46.244%0.43521%0.209SC..Hα-helixtrans-62.2-39.5175.5-70.3-76.4-174.5175.90112.3L221 L225 L264 F265 L272L221-K268 HydrophobicContact CD2-CG 4.37Å; L225-K268 HydrophobicContact CD1-CB 3.75Å; L225-K268 HydrophobicContact CD1-CD 4.3Å; L225-K268 HydrophobicContact CD1-CG 4.27Å; L225-K268 HydrophobicContact CD2-CB 4.35Å; L264-K268 HydrophobicContact CD1-CG 4Å; L264-K268 HydrophobicContact CG-CG 4.33Å; L264-K268 WeakPolarHBondContact O-CB 3.26Å; L264-K268 VanDerWaalsContact O-CG 3.22Å; L264-K268 WeakPolarHBondContact O-CG 3.43Å; L264-K268 PolarHBondContact O-N 3.49Å; F265-K268 PolarHBondContact O-N 3.5Å; K268-L272 VanDerWaalsContact O-CB 3.26Å; K268-L272 WeakPolarHBondContact O-CB 3.45Å; K268-L272 PolarHBondContact O-N 3.35Å
269L92.3Very high92.3Very high10 Ų1052.7 Ų52.75%0.05224%0.244CC..Hα-helixtrans-63.5-45.4172-77.5175.7000111.7L225 F265 Y266 F267 D271 L272 F273 Y287L225-L269 HydrophobicContact CD2-CD2 4.12Å; F265-L269 HydrophobicContact CD1-CD1 4.45Å; F265-L269 HydrophobicContact CD2-CD1 3.92Å; F265-L269 HydrophobicContact CD2-CG 3.81Å; F265-L269 HydrophobicContact CE1-CD1 4.07Å; F265-L269 HydrophobicContact CE2-CD1 3.5Å; F265-L269 HydrophobicContact CE2-CD2 3.8Å; F265-L269 HydrophobicContact CE2-CG 3.49Å; F265-L269 VanDerWaalsContact CE2-CG 3.49Å; F265-L269 HydrophobicContact CG-CD1 4.38Å; F265-L269 HydrophobicContact CZ-CD1 3.58Å; F265-L269 HydrophobicContact CZ-CD2 4.34Å; F265-L269 HydrophobicContact CZ-CG 4.09Å; F265-L269 WeakPolarHBondContact O-CB 3.44Å; F265-L269 WeakPolarHBondContact O-CG 3.38Å; F265-L269 PolarHBondContact O-N 3.24Å; Y266-L269 PolarHBondContact O-N 2.95Å; F267-L269 VanDerWaalsContact C-N 3.33Å; F267-L269 PolarHBondContact O-N 3.04Å; L269-D271 PolarHBondContact O-N 3.3Å; L269-L272 PolarHBondContact O-N 3.25Å; L269-F273 WeakPolarHBondContact O-CB 3.33Å; L269-F273 PolarHBondContact O-N 3.36Å; L269-Y287 HydrophobicContact CB-CD1 4.49Å; L269-Y287 HydrophobicContact CB-CE1 4.04Å; L269-Y287 HydrophobicContact CD1-CD1 4.22Å
270T92.1Very high91.5Very high2 Ų255.1 Ų55.11%0.01226%0.261CS..Hα-helixtrans-57.4-49.9178.5-54.60000110.9Y266 F267 L272 F273 R274 P282 Y287Y266-T270 WeakPolarHBondContact O-CB 3.25Å; Y266-T270 PolarHBondContact O-N 2.96Å; Y266-T270 PolarHBondContact O-OG1 3.04Å; F267-T270 WeakPolarHBondContact O-CB 3.39Å; F267-T270 PolarHBondContact O-N 3.36Å; F267-T270 VanDerWaalsContact O-N 3.16Å; T270-L272 PolarHBondContact O-N 3.49Å; T270-F273 PolarHBondContact O-N 2.82Å; T270-R274 VanDerWaalsContact CG2-NH1 3.34Å; T270-R274 WeakPolarHBondContact O-CG 3.48Å; T270-R274 PolarHBondContact O-N 3.42Å; T270-P282 HydrophobicContact CG2-CG 4.27Å; T270-Y287 WeakPolarHBondContact CB-OH 3.19Å; T270-Y287 PolarHBondContact OG1-OH 2.68Å
271D91.8Very high90.7Very high69 Ų6960.3 Ų60.337%0.36930%0.298SS..Hα-helixtrans-65.6-41.2-177.8-71.4-15.4000111.7F267 L269 R274 K275F267-D271 WeakPolarHBondContact O-CB 3.28Å; F267-D271 VanDerWaalsContact O-CG 3.32Å; F267-D271 PolarHBondContact O-N 2.84Å; L269-D271 PolarHBondContact O-N 3.3Å; D271-R274 PolarHBondContact O-N 2.93Å; D271-R274 IonicContact OD1-NH1 3.46Å; D271-R274 PolarHBondContact OD1-NH1 3.37Å; D271-K275 WeakPolarHBondContact O-CB 3.35Å; D271-K275 VanDerWaalsContact O-CG 3.24Å; D271-K275 WeakPolarHBondContact O-CG 3.29Å; D271-K275 PolarHBondContact O-N 3.06Å
272L89.3Confident90.2Very high36 Ų3661.5 Ų61.519%0.18831%0.305CS..Hα-helixtrans-64.3-42.4175.9-177.859.2000111.6L225 V231 K268 L269 T270 K275 V276L225-L272 HydrophobicContact CB-CD2 3.98Å; L225-L272 HydrophobicContact CD2-CD2 3.66Å; L225-L272 HydrophobicContact CG-CD2 4.42Å; V231-L272 HydrophobicContact CB-CD2 4.12Å; V231-L272 HydrophobicContact CG1-CD1 4.03Å; V231-L272 HydrophobicContact CG1-CD2 3.3Å; V231-L272 HydrophobicContact CG1-CG 3.37Å; V231-L272 HydrophobicContact CG2-CD2 3.73Å; K268-L272 VanDerWaalsContact O-CB 3.26Å; K268-L272 WeakPolarHBondContact O-CB 3.45Å; K268-L272 PolarHBondContact O-N 3.35Å; L269-L272 PolarHBondContact O-N 3.25Å; T270-L272 PolarHBondContact O-N 3.49Å; L272-K275 PolarHBondContact O-N 3.38Å; L272-V276 HydrophobicContact CD1-CG2 4.24Å; L272-V276 WeakPolarHBondContact O-CG2 3.49Å; L272-V276 PolarHBondContact O-N 2.79Å
273F87.8Confident89.7Confident12 Ų1264.2 Ų64.25%0.05332%0.323CS..Hα-helixtrans-59.6-49.2174.5-177-81.5000111.7F234 L269 T270 K275 V276 K277 S280 P282 P283 L286F234-F273 AromaticContact CD1-CD2 3.91Å; F234-F273 HydrophobicContact CD1-CD2 3.91Å; F234-F273 HydrophobicContact CD1-CE2 4.39Å; F234-F273 AromaticContact CD2-CD2 3.49Å; F234-F273 HydrophobicContact CD2-CD2 3.49Å; F234-F273 VanDerWaalsContact CD2-CD2 3.49Å; F234-F273 AromaticContact CD2-CE2 3.5Å; F234-F273 HydrophobicContact CD2-CE2 3.5Å; F234-F273 VanDerWaalsContact CD2-CE2 3.5Å; F234-F273 HydrophobicContact CE1-CB 4.28Å; F234-F273 AromaticContact CE1-CD2 3.62Å; F234-F273 HydrophobicContact CE1-CD2 3.62Å; F234-F273 HydrophobicContact CE1-CE2 4.48Å; F234-F273 HydrophobicContact CE1-CG 4.42Å; F234-F273 HydrophobicContact CE2-CB 4.3Å; F234-F273 AromaticContact CE2-CD2 3.17Å; F234-F273 HydrophobicContact CE2-CD2 3.17Å; F234-F273 AromaticContact CE2-CE2 3.62Å; F234-F273 HydrophobicContact CE2-CE2 3.62Å; F234-F273 AromaticContact CE2-CG 3.96Å; F234-F273 HydrophobicContact CE2-CG 3.96Å; F234-F273 AromaticContact CG-CD2 3.86Å; F234-F273 HydrophobicContact CG-CD2 3.86Å; F234-F273 AromaticContact CG-CE2 3.92Å; F234-F273 HydrophobicContact CG-CE2 3.92Å; F234-F273 HydrophobicContact CZ-CB 3.74Å; F234-F273 AromaticContact CZ-CD2 3.25Å; F234-F273 HydrophobicContact CZ-CD2 3.25Å; F234-F273 HydrophobicContact CZ-CE2 4.14Å; F234-F273 AromaticContact CZ-CG 3.86Å; F234-F273 HydrophobicContact CZ-CG 3.86Å; L269-F273 WeakPolarHBondContact O-CB 3.33Å; L269-F273 PolarHBondContact O-N 3.36Å; T270-F273 PolarHBondContact O-N 2.82Å; F273-K275 VanDerWaalsContact C-N 3.31Å; F273-K275 PolarHBondContact O-N 2.91Å; F273-V276 PolarHBondContact O-N 3.44Å; F273-K277 HydrophobicContact CD1-CB 4.31Å; F273-K277 HydrophobicContact CD1-CG 4.47Å; F273-K277 HydrophobicContact CD2-CG 4.34Å; F273-K277 HydrophobicContact CE1-CB 3.93Å; F273-K277 HydrophobicContact CE1-CG 4.11Å; F273-K277 HydrophobicContact CE2-CG 3.94Å; F273-K277 HydrophobicContact CZ-CB 4.09Å; F273-K277 HydrophobicContact CZ-CG 3.81Å; F273-K277 WeakPolarHBondContact O-CB 3.42Å; F273-K277 PolarHBondContact O-N 3.17Å; F273-S280 VanDerWaalsContact CE1-OG 3.24Å; F273-S280 WeakPolarHBondContact CE1-OG 3.47Å; F273-P282 HydrophobicContact CD1-CB 3.75Å; F273-P282 HydrophobicContact CD2-CB 4.46Å; F273-P282 VanDerWaalsContact CE1-CA 3.48Å; F273-P282 HydrophobicContact CE1-CB 4.03Å; F273-P282 HydrophobicContact CG-CB 4.02Å; F273-P283 HydrophobicContact CE2-CG 4.43Å; F273-P283 VanDerWaalsContact CZ-CD 3.48Å; F273-L286 HydrophobicContact CB-CD2 3.7Å; F273-L286 HydrophobicContact CD2-CD1 4.49Å; F273-L286 HydrophobicContact CD2-CD2 3.8Å; F273-L286 HydrophobicContact CG-CD2 3.9Å
274R88.8Confident89.1Confident102 Ų10266.8 Ų66.839%0.38534%0.337SS..Hα-helixtrans-59.6-41.9178-71.8177.3-172.7138.8-4.1111.8T270 D271 V276 K278 N279T270-R274 VanDerWaalsContact CG2-NH1 3.34Å; T270-R274 WeakPolarHBondContact O-CG 3.48Å; T270-R274 PolarHBondContact O-N 3.42Å; D271-R274 PolarHBondContact O-N 2.93Å; D271-R274 IonicContact OD1-NH1 3.46Å; D271-R274 PolarHBondContact OD1-NH1 3.37Å; R274-V276 PolarHBondContact O-N 2.92Å; R274-K278 PolarHBondContact O-N 3.39Å; R274-K278 VanDerWaalsContact O-N 3.17Å; R274-N279 PolarHBondContact O-N 3.25Å
275K87.8Confident88.5Confident168 Ų16869.2 Ų69.273%0.7336%0.356SS*.Hα-helixtrans-60.9-43.2176.1-75.2172.6-176.8179.80112.2D271 L272 F273D271-K275 WeakPolarHBondContact O-CB 3.35Å; D271-K275 VanDerWaalsContact O-CG 3.24Å; D271-K275 WeakPolarHBondContact O-CG 3.29Å; D271-K275 PolarHBondContact O-N 3.06Å; L272-K275 PolarHBondContact O-N 3.38Å; F273-K275 VanDerWaalsContact C-N 3.31Å; F273-K275 PolarHBondContact O-N 2.91Å
276V85.8Confident88Confident60 Ų6069.8 Ų69.836%0.36436%0.36SS..Hα-helixtrans-81.6-39.1-175.8178.30000112.8V231 A232 L272 F273 R274V231-V276 HydrophobicContact CG1-CG2 4.38Å; A232-V276 HydrophobicContact CB-CG1 4.05Å; L272-V276 HydrophobicContact CD1-CG2 4.24Å; L272-V276 WeakPolarHBondContact O-CG2 3.49Å; L272-V276 PolarHBondContact O-N 2.79Å; F273-V276 PolarHBondContact O-N 3.44Å; R274-V276 PolarHBondContact O-N 2.92Å
277K83.4Confident87.7Confident83 Ų8368.2 Ų68.236%0.36135%0.354SS..THydrogen-bonded Turntrans-98.121.4-176.4-61.5-67.7-173-175.20113.5A232 F234 F273 S280A232-K277 VanDerWaalsContact O-CE 3.27Å; A232-K277 WeakPolarHBondContact O-CE 3.19Å; A232-K277 PolarHBondContact O-NZ 3.33Å; F234-K277 HydrophobicContact CD2-CD 4.48Å; F234-K277 VanDerWaalsContact CD2-CE 3.48Å; F234-K277 HydrophobicContact CD2-CG 4.14Å; F234-K277 HydrophobicContact CE2-CD 4.48Å; F234-K277 HydrophobicContact CE2-CG 3.81Å; F273-K277 HydrophobicContact CD1-CB 4.31Å; F273-K277 HydrophobicContact CD1-CG 4.47Å; F273-K277 HydrophobicContact CD2-CG 4.34Å; F273-K277 HydrophobicContact CE1-CB 3.93Å; F273-K277 HydrophobicContact CE1-CG 4.11Å; F273-K277 HydrophobicContact CE2-CG 3.94Å; F273-K277 HydrophobicContact CZ-CB 4.09Å; F273-K277 HydrophobicContact CZ-CG 3.81Å; F273-K277 WeakPolarHBondContact O-CB 3.42Å; F273-K277 PolarHBondContact O-N 3.17Å; K277-S280 WeakPolarHBondContact CB-OG 3.16Å; K277-S280 PolarHBondContact O-N 3.41Å; K277-S280 PolarHBondContact O-OG 2.89Å
278K83.4Confident87.4Confident193 Ų19367.3 Ų67.384%0.83935%0.354SS*.THydrogen-bonded Turntrans5554173.3-55.7-179.6-179.5-1790113.1R274 S280R274-K278 PolarHBondContact O-N 3.39Å; R274-K278 VanDerWaalsContact O-N 3.17Å; K278-S280 VanDerWaalsContact C-N 3.31Å; K278-S280 PolarHBondContact O-N 3.33Å
279N76.4Confident87.2Confident136 Ų13669.3 Ų69.373%0.72737%0.365SS*.THydrogen-bonded Turntrans63.523.7177.7-60.9-32.8000115.9R274R274-N279 PolarHBondContact O-N 3.25Å
280S81.9Confident87.4Confident51 Ų5169.1 Ų69.136%0.35736%0.364SS..PPolyproline II helixtrans-69.3155.6168.163.20000112F273 K277 K278F273-S280 VanDerWaalsContact CE1-OG 3.24Å; F273-S280 WeakPolarHBondContact CE1-OG 3.47Å; K277-S280 WeakPolarHBondContact CB-OG 3.16Å; K277-S280 PolarHBondContact O-N 3.41Å; K277-S280 PolarHBondContact O-OG 2.89Å; K278-S280 VanDerWaalsContact C-N 3.31Å; K278-S280 PolarHBondContact O-N 3.33Å
281S83.6Confident87.6Confident111 Ų11169 Ų6978%0.77636%0.364SS*.PPolyproline II helixtrans-71.3129175.7-1680000110.2
282P86.5Confident87.8Confident25 Ų2569.3 Ų69.316%0.16236%0.359CS..PPolyproline II helixtrans-69.5134.8-179.127.1-33000111.5T270 F273 L286 Y287T270-P282 HydrophobicContact CG2-CG 4.27Å; F273-P282 HydrophobicContact CD1-CB 3.75Å; F273-P282 HydrophobicContact CD2-CB 4.46Å; F273-P282 VanDerWaalsContact CE1-CA 3.48Å; F273-P282 HydrophobicContact CE1-CB 4.03Å; F273-P282 HydrophobicContact CG-CB 4.02Å; P282-L286 HydrophobicContact CB-CD2 3.74Å; P282-Y287 HydrophobicContact CB-CE2 4.25Å; P282-Y287 WeakPolarHBondContact CB-OH 3.25Å; P282-Y287 HydrophobicContact CG-CE2 4.3Å; P282-Y287 WeakPolarHBondContact CG-OH 3.48Å
283P87.9Confident88.2Confident60 Ų6068.6 Ų68.639%0.3935%0.354SS..PPolyproline II helixtrans-72.2150.8172.731.6-34.9000110.8F273 S285 L286F273-P283 HydrophobicContact CE2-CG 4.43Å; F273-P283 VanDerWaalsContact CZ-CD 3.48Å; P283-S285 PolarHBondContact O-N 2.73Å; P283-L286 VanDerWaalsContact O-CB 3.22Å; P283-L286 WeakPolarHBondContact O-CB 3.43Å; P283-L286 PolarHBondContact O-N 2.71Å
284L87.2Confident88.7Confident61 Ų6168 Ų6832%0.31935%0.352SS..G310 helixtrans-57.7-24.3176.6-67.6179000113.5Q154 I157 L286 Y287 G288 L291Q154-L284 HydrophobicContact CB-CD1 4.07Å; Q154-L284 HydrophobicContact CG-CD1 4.29Å; I157-L284 HydrophobicContact CD1-CD2 4.4Å; L284-L286 PolarHBondContact O-N 2.82Å; L284-Y287 PolarHBondContact O-N 3.46Å; L284-Y287 VanDerWaalsContact O-N 3.11Å; L284-G288 PolarHBondContact O-N 2.9Å; L284-L291 HydrophobicContact CB-CD1 4.06Å; L284-L291 HydrophobicContact CD2-CD1 4.07Å
285S85.7Confident89.1Confident83 Ų8363.2 Ų63.258%0.5833%0.334SS*.G310 helixtrans-60.9-26.317654.40000113.1P283 Y287 G288P283-S285 PolarHBondContact O-N 2.73Å; S285-Y287 PolarHBondContact O-N 2.81Å; S285-G288 PolarHBondContact O-N 3.07Å
286L87.4Confident89.7Confident31 Ų3155.6 Ų55.616%0.16230%0.301CS..G310 helixtrans-57.6-39.4173.8178.359.2000111.5F234 F273 P282 P283 L284F234-L286 HydrophobicContact CD1-CD1 3.45Å; F234-L286 VanDerWaalsContact CD1-CD1 3.45Å; F234-L286 HydrophobicContact CE1-CD1 3.43Å; F234-L286 VanDerWaalsContact CE1-CD1 3.43Å; F273-L286 HydrophobicContact CB-CD2 3.7Å; F273-L286 HydrophobicContact CD2-CD1 4.49Å; F273-L286 HydrophobicContact CD2-CD2 3.8Å; F273-L286 HydrophobicContact CG-CD2 3.9Å; P282-L286 HydrophobicContact CB-CD2 3.74Å; P283-L286 VanDerWaalsContact O-CB 3.22Å; P283-L286 WeakPolarHBondContact O-CB 3.43Å; P283-L286 PolarHBondContact O-N 2.71Å; L284-L286 PolarHBondContact O-N 2.82Å
287Y91.8Very high90.3Very high5 Ų552.7 Ų52.72%0.0228%0.283CS..G310 helixtrans-97.713.6-176.6-45.5-63.4000112.6Y266 L269 T270 P282 L284 S285 Q289 L290 L291Y266-Y287 AromaticContact CD2-CD1 3.46Å; Y266-Y287 HydrophobicContact CD2-CD1 3.46Å; Y266-Y287 VanDerWaalsContact CD2-CD1 3.46Å; Y266-Y287 HydrophobicContact CD2-CD2 4.17Å; Y266-Y287 AromaticContact CD2-CE1 3.65Å; Y266-Y287 HydrophobicContact CD2-CE1 3.65Å; Y266-Y287 HydrophobicContact CD2-CE2 4.32Å; Y266-Y287 AromaticContact CD2-CG 3.75Å; Y266-Y287 HydrophobicContact CD2-CG 3.75Å; Y266-Y287 AromaticContact CE2-CD1 3.68Å; Y266-Y287 HydrophobicContact CE2-CD1 3.68Å; Y266-Y287 AromaticContact CE2-CD2 3.54Å; Y266-Y287 HydrophobicContact CE2-CD2 3.54Å; Y266-Y287 AromaticContact CE2-CE1 3.67Å; Y266-Y287 HydrophobicContact CE2-CE1 3.67Å; Y266-Y287 AromaticContact CE2-CE2 3.52Å; Y266-Y287 HydrophobicContact CE2-CE2 3.52Å; Y266-Y287 AromaticContact CE2-CG 3.61Å; Y266-Y287 HydrophobicContact CE2-CG 3.61Å; Y266-Y287 AromaticContact CE2-CZ 3.58Å; Y266-Y287 HydrophobicContact CG-CD1 4.36Å; Y266-Y287 HydrophobicContact CG-CE1 4.27Å; Y266-Y287 AromaticContact CZ-CE2 3.96Å; Y266-Y287 AromaticContact CZ-CZ 3.9Å; L269-Y287 HydrophobicContact CB-CD1 4.49Å; L269-Y287 HydrophobicContact CB-CE1 4.04Å; L269-Y287 HydrophobicContact CD1-CD1 4.22Å; T270-Y287 WeakPolarHBondContact CB-OH 3.19Å; T270-Y287 PolarHBondContact OG1-OH 2.68Å; P282-Y287 HydrophobicContact CB-CE2 4.25Å; P282-Y287 WeakPolarHBondContact CB-OH 3.25Å; P282-Y287 HydrophobicContact CG-CE2 4.3Å; P282-Y287 WeakPolarHBondContact CG-OH 3.48Å; L284-Y287 PolarHBondContact O-N 3.46Å; L284-Y287 VanDerWaalsContact O-N 3.11Å; S285-Y287 PolarHBondContact O-N 2.81Å; Y287-Q289 VanDerWaalsContact C-N 3.26Å; Y287-Q289 PolarHBondContact O-N 3.23Å; Y287-L290 WeakPolarHBondContact O-CA 3.48Å; Y287-L290 WeakPolarHBondContact O-CB 3.31Å; Y287-L290 PolarHBondContact O-N 3.02Å; Y287-L291 PolarHBondContact O-N 3.48Å
288G89.6Confident91Very high15 Ų1548.8 Ų48.816%0.15527%0.266CS..Hα-helixtrans-51.5-40.9-166.900000114.4L284 S285 L291 W292L284-G288 PolarHBondContact O-N 2.9Å; S285-G288 PolarHBondContact O-N 3.07Å; G288-L291 PolarHBondContact O-N 3.04Å; G288-W292 PolarHBondContact O-N 2.99Å
289Q91.2Very high91.7Very high143 Ų14339.8 Ų39.867%0.66823%0.228SC*.Hα-helixtrans-67.6-41177.5-64.1-62-33.300112.7Y287 R293Y287-Q289 VanDerWaalsContact C-N 3.26Å; Y287-Q289 PolarHBondContact O-N 3.23Å; Q289-R293 PolarHBondContact O-N 2.96Å
290L95.9Very high92.7Very high5 Ų533.3 Ų33.33%0.02619%0.193CC..Hα-helixtrans-64.4-44174.7-71.7174.2000110.9L132 L255 C262 F265 Y287 W292 R293 E294L132-L290 HydrophobicContact CD1-CB 4.13Å; L132-L290 HydrophobicContact CD1-CD1 4.44Å; L255-L290 HydrophobicContact CD1-CD2 4.19Å; L255-L290 HydrophobicContact CD2-CD2 4.41Å; C262-L290 HydrophobicContact CB-CD2 4.07Å; F265-L290 HydrophobicContact CD1-CD1 3.88Å; F265-L290 HydrophobicContact CD1-CD2 4Å; F265-L290 HydrophobicContact CD1-CG 4.11Å; F265-L290 HydrophobicContact CE1-CD1 4.37Å; F265-L290 HydrophobicContact CE1-CG 4.36Å; F265-L290 HydrophobicContact CG-CD1 4.5Å; Y287-L290 WeakPolarHBondContact O-CA 3.48Å; Y287-L290 WeakPolarHBondContact O-CB 3.31Å; Y287-L290 PolarHBondContact O-N 3.02Å; L290-W292 PolarHBondContact O-N 3.35Å; L290-R293 VanDerWaalsContact O-CB 3.32Å; L290-R293 WeakPolarHBondContact O-CB 3.47Å; L290-R293 PolarHBondContact O-N 3.31Å; L290-E294 WeakPolarHBondContact O-CG 3.43Å; L290-E294 PolarHBondContact O-N 3.33Å
291L96.5Very high93.4Very high1 Ų131 Ų311%0.00518%0.177CC..Hα-helixtrans-69.6-33.1-178.2-65.8-177.9000113L132 Y133 Y150 F153 I157 L284 Y287 G288 R293 E294 F295L132-L291 HydrophobicContact CD1-CD2 4.47Å; Y133-L291 HydrophobicContact CE2-CD2 4.37Å; Y150-L291 HydrophobicContact CE2-CB 4.17Å; Y150-L291 VanDerWaalsContact OH-CB 3.22Å; Y150-L291 WeakPolarHBondContact OH-CB 3.4Å; F153-L291 HydrophobicContact CE1-CB 4.26Å; F153-L291 HydrophobicContact CE1-CD2 4.39Å; F153-L291 WeakPolarHBondContact CE1-O 3.39Å; I157-L291 HydrophobicContact CD1-CD1 3.94Å; I157-L291 HydrophobicContact CD1-CD2 3.6Å; I157-L291 HydrophobicContact CD1-CG 4.34Å; L284-L291 HydrophobicContact CB-CD1 4.06Å; L284-L291 HydrophobicContact CD2-CD1 4.07Å; Y287-L291 PolarHBondContact O-N 3.48Å; G288-L291 PolarHBondContact O-N 3.04Å; L291-R293 VanDerWaalsContact C-N 3.32Å; L291-E294 PolarHBondContact O-N 3.41Å; L291-F295 WeakPolarHBondContact O-CB 3.48Å; L291-F295 PolarHBondContact O-N 3.09Å
292W96Very high94.1Very high74 Ų7429.9 Ų29.928%0.2816%0.162SC..Hα-helixtrans-63.8-39.5170.4-87.4114.5000112Y150 G288 L290 F295 F296Y150-W292 AromaticContact CD1-CE2 3.98Å; Y150-W292 HydrophobicContact CD1-CH2 4.24Å; Y150-W292 AromaticContact CD1-CZ2 3.75Å; Y150-W292 HydrophobicContact CD1-CZ2 3.75Å; Y150-W292 AromaticContact CD2-CD2 3.77Å; Y150-W292 HydrophobicContact CD2-CD2 3.77Å; Y150-W292 AromaticContact CD2-CE2 3.92Å; Y150-W292 AromaticContact CD2-CE3 3.74Å; Y150-W292 HydrophobicContact CD2-CE3 3.74Å; Y150-W292 HydrophobicContact CD2-CG 4.44Å; Y150-W292 HydrophobicContact CD2-CH2 4.06Å; Y150-W292 HydrophobicContact CD2-CZ2 4.08Å; Y150-W292 AromaticContact CD2-CZ3 3.89Å; Y150-W292 HydrophobicContact CD2-CZ3 3.89Å; Y150-W292 AromaticContact CE1-CE2 4Å; Y150-W292 HydrophobicContact CE1-CZ2 4.21Å; Y150-W292 AromaticContact CE1-NE1 3.95Å; Y150-W292 AromaticContact CE2-CD2 3.75Å; Y150-W292 HydrophobicContact CE2-CD2 3.75Å; Y150-W292 AromaticContact CE2-CE2 3.96Å; Y150-W292 HydrophobicContact CE2-CE3 4.14Å; Y150-W292 AromaticContact CE2-CG 3.95Å; Y150-W292 HydrophobicContact CE2-CG 3.95Å; Y150-W292 HydrophobicContact CG-CD2 4.25Å; Y150-W292 AromaticContact CG-CE2 3.94Å; Y150-W292 HydrophobicContact CG-CE3 4.25Å; Y150-W292 AromaticContact CG-CH2 3.7Å; Y150-W292 HydrophobicContact CG-CH2 3.7Å; Y150-W292 AromaticContact CG-CZ2 3.67Å; Y150-W292 HydrophobicContact CG-CZ2 3.67Å; Y150-W292 AromaticContact CG-CZ3 4Å; Y150-W292 HydrophobicContact CG-CZ3 4Å; Y150-W292 AromaticContact CZ-CE2 3.99Å; Y150-W292 AromaticContact CZ-NE1 3.87Å; G288-W292 PolarHBondContact O-N 2.99Å; L290-W292 PolarHBondContact O-N 3.35Å; W292-F295 AromaticContact CE3-CD1 3.79Å; W292-F295 HydrophobicContact CE3-CD1 3.79Å; W292-F295 HydrophobicContact CE3-CE1 4.42Å; W292-F295 HydrophobicContact CE3-CG 4.5Å; W292-F295 AromaticContact CZ3-CD1 3.76Å; W292-F295 HydrophobicContact CZ3-CD1 3.76Å; W292-F295 AromaticContact CZ3-CE1 3.93Å; W292-F295 HydrophobicContact CZ3-CE1 3.93Å; W292-F295 WeakPolarHBondContact O-CB 3.4Å; W292-F295 PolarHBondContact O-N 3.37Å; W292-F296 AromaticContact CE3-CE2 4Å; W292-F296 HydrophobicContact CE3-CE2 4Å; W292-F296 HydrophobicContact CE3-CZ 4.1Å; W292-F296 HydrophobicContact CZ3-CZ 4.21Å; W292-F296 VanDerWaalsContact O-CD2 3.22Å; W292-F296 WeakPolarHBondContact O-CD2 3.42Å; W292-F296 PolarHBondContact O-N 3.44Å
293R97.9Very high94.5Very high21 Ų2129.5 Ų29.58%0.07916%0.159CC..Hα-helixtrans-60.5-51.6172.8176.3179176.6-81.28.2110.7H130 Q289 L290 L291 F295 F296 Y297 V392H130-R293 PolarHBondContact CD2-NH2 3.16Å; H130-R293 PolarHBondContact CE1-NH2 3.09Å; H130-R293 PolarHBondContact ND1-NH2 2.97Å; H130-R293 PolarHBondContact NE2-NH2 2.88Å; H130-R293 VanDerWaalsContact O-CZ 3.23Å; H130-R293 PolarHBondContact O-NH1 2.9Å; H130-R293 PolarHBondContact O-NH2 2.84Å; Q289-R293 PolarHBondContact O-N 2.96Å; L290-R293 VanDerWaalsContact O-CB 3.32Å; L290-R293 WeakPolarHBondContact O-CB 3.47Å; L290-R293 PolarHBondContact O-N 3.31Å; L291-R293 VanDerWaalsContact C-N 3.32Å; R293-F295 VanDerWaalsContact C-N 3.3Å; R293-F295 PolarHBondContact O-N 3.42Å; R293-F296 PolarHBondContact O-N 3.4Å; R293-Y297 HydrophobicContact CG-CD2 3.71Å; R293-Y297 HydrophobicContact CG-CE2 3.57Å; R293-Y297 VanDerWaalsContact O-CD2 3.25Å; R293-Y297 WeakPolarHBondContact O-CD2 3.46Å; R293-Y297 PolarHBondContact O-N 2.69Å; R293-V392 HydrophobicContact CG-CG2 4.08Å
294E98.1Very high94.9Very high0 Ų031.1 Ų31.10%017%0.169CC..Hα-helixtrans-56.7-42176.5-65.6-66.3131.100112.6T131 L132 Y133 F153 L290 L291 F296 Y297 T298T131-E294 WeakPolarHBondContact CA-OE1 3.13Å; T131-E294 VanDerWaalsContact CB-OE1 3.28Å; T131-E294 WeakPolarHBondContact CB-OE1 3.34Å; T131-E294 WeakPolarHBondContact CB-OE2 3.27Å; L132-E294 HydrophobicContact CB-CG 4.31Å; L132-E294 HydrophobicContact CD1-CG 4.23Å; L132-E294 HydrophobicContact CG-CG 4.35Å; L132-E294 VanDerWaalsContact N-CD 3.31Å; L132-E294 PolarHBondContact N-OE1 2.87Å; L132-E294 PolarHBondContact N-OE2 3.36Å; Y133-E294 PolarHBondContact N-OE2 3.37Å; F153-E294 HydrophobicContact CE1-CB 4.28Å; F153-E294 HydrophobicContact CE2-CB 4.27Å; F153-E294 HydrophobicContact CZ-CB 3.51Å; L290-E294 WeakPolarHBondContact O-CG 3.43Å; L290-E294 PolarHBondContact O-N 3.33Å; L291-E294 PolarHBondContact O-N 3.41Å; E294-F296 PolarHBondContact O-N 3.03Å; E294-Y297 PolarHBondContact O-N 2.86Å; E294-T298 WeakPolarHBondContact O-CB 3.35Å; E294-T298 PolarHBondContact O-N 3.44Å; E294-T298 PolarHBondContact O-OG1 3.02Å
295F98.1Very high95.3Very high1 Ų129.9 Ų29.90%0.00417%0.166CC..Hα-helixtrans-57.2-48.9177.7170.1-106.4000111.7P147 Y150 F153 L291 W292 R293 T298 A299 F405P147-F295 WeakPolarHBondContact O-CE2 3.41Å; Y150-F295 HydrophobicContact CD2-CB 3.98Å; Y150-F295 HydrophobicContact CD2-CD1 4.45Å; Y150-F295 HydrophobicContact CD2-CD2 4.4Å; Y150-F295 HydrophobicContact CD2-CG 4.02Å; Y150-F295 HydrophobicContact CE2-CB 4.31Å; F153-F295 HydrophobicContact CB-CD2 3.67Å; F153-F295 HydrophobicContact CB-CE2 4.28Å; F153-F295 HydrophobicContact CD1-CB 4.05Å; F153-F295 HydrophobicContact CD1-CD2 4.43Å; F153-F295 HydrophobicContact CD2-CB 4.4Å; F153-F295 HydrophobicContact CD2-CD2 4.24Å; F153-F295 HydrophobicContact CE1-CB 4.24Å; F153-F295 HydrophobicContact CG-CB 4.16Å; F153-F295 AromaticContact CG-CD2 3.87Å; F153-F295 HydrophobicContact CG-CD2 3.87Å; L291-F295 WeakPolarHBondContact O-CB 3.48Å; L291-F295 PolarHBondContact O-N 3.09Å; W292-F295 AromaticContact CE3-CD1 3.79Å; W292-F295 HydrophobicContact CE3-CD1 3.79Å; W292-F295 HydrophobicContact CE3-CE1 4.42Å; W292-F295 HydrophobicContact CE3-CG 4.5Å; W292-F295 AromaticContact CZ3-CD1 3.76Å; W292-F295 HydrophobicContact CZ3-CD1 3.76Å; W292-F295 AromaticContact CZ3-CE1 3.93Å; W292-F295 HydrophobicContact CZ3-CE1 3.93Å; W292-F295 WeakPolarHBondContact O-CB 3.4Å; W292-F295 PolarHBondContact O-N 3.37Å; R293-F295 VanDerWaalsContact C-N 3.3Å; R293-F295 PolarHBondContact O-N 3.42Å; F295-T298 PolarHBondContact O-N 3.47Å; F295-A299 WeakPolarHBondContact O-CB 3.48Å; F295-A299 PolarHBondContact O-N 2.99Å; F295-F405 AromaticContact CE1-CD1 3.92Å; F295-F405 HydrophobicContact CE1-CD1 3.92Å; F295-F405 HydrophobicContact CE1-CE1 4.1Å; F295-F405 HydrophobicContact CE1-CG 4.27Å; F295-F405 AromaticContact CZ-CD1 3.57Å; F295-F405 HydrophobicContact CZ-CD1 3.57Å; F295-F405 AromaticContact CZ-CE1 3.78Å; F295-F405 HydrophobicContact CZ-CE1 3.78Å; F295-F405 HydrophobicContact CZ-CG 4.3Å
296F98.3Very high95.9Very high8 Ų826 Ų264%0.03514%0.138CC..Hα-helixtrans-69.1-39.4179.7-70.4-52.3000112.7W292 R293 E294 T298 A299 A300 V392 G395 F405W292-F296 AromaticContact CE3-CE2 4Å; W292-F296 HydrophobicContact CE3-CE2 4Å; W292-F296 HydrophobicContact CE3-CZ 4.1Å; W292-F296 HydrophobicContact CZ3-CZ 4.21Å; W292-F296 VanDerWaalsContact O-CD2 3.22Å; W292-F296 WeakPolarHBondContact O-CD2 3.42Å; W292-F296 PolarHBondContact O-N 3.44Å; R293-F296 PolarHBondContact O-N 3.4Å; E294-F296 PolarHBondContact O-N 3.03Å; F296-T298 VanDerWaalsContact C-N 3.3Å; F296-T298 PolarHBondContact O-N 2.77Å; F296-A299 PolarHBondContact O-N 3.23Å; F296-A300 VanDerWaalsContact O-CB 3.24Å; F296-A300 WeakPolarHBondContact O-CB 3.29Å; F296-A300 PolarHBondContact O-N 3.23Å; F296-V392 HydrophobicContact CB-CG2 4.39Å; F296-V392 HydrophobicContact CD2-CG1 4.3Å; F296-G395 WeakPolarHBondContact CE1-O 3.35Å; F296-F405 HydrophobicContact CD1-CE2 4.44Å; F296-F405 HydrophobicContact CE1-CD2 4.18Å; F296-F405 HydrophobicContact CE1-CE2 4.1Å
297Y98.6Very high96.4Very high0 Ų026.5 Ų26.50%014%0.141CC..Hα-helixtrans-58.9-42.2172.2-85.8-71000112.1S102 E103 H130 T131 R293 E294 A300 T301 D389 V392S102-Y297 WeakPolarHBondContact OG-CD1 3.46Å; E103-Y297 HydrophobicContact CG-CD1 4.32Å; E103-Y297 HydrophobicContact CG-CE1 3.92Å; H130-Y297 AromaticContact CD2-CZ 3.83Å; H130-Y297 PolarHBondContact CD2-OH 3.3Å; H130-Y297 AromaticContact NE2-CZ 3.81Å; H130-Y297 PolarHBondContact NE2-OH 3.08Å; T131-Y297 HydrophobicContact CG2-CD2 4.25Å; T131-Y297 HydrophobicContact CG2-CG 4.2Å; R293-Y297 HydrophobicContact CG-CD2 3.71Å; R293-Y297 HydrophobicContact CG-CE2 3.57Å; R293-Y297 VanDerWaalsContact O-CD2 3.25Å; R293-Y297 WeakPolarHBondContact O-CD2 3.46Å; R293-Y297 PolarHBondContact O-N 2.69Å; E294-Y297 PolarHBondContact O-N 2.86Å; Y297-A300 PolarHBondContact O-N 3.18Å; Y297-T301 PolarHBondContact O-N 2.83Å; Y297-D389 WeakPolarHBondContact OH-CB 3.15Å; Y297-D389 PolarHBondContact OH-OD1 3.22Å; Y297-D389 PolarHBondContact OH-OD2 2.87Å; Y297-V392 HydrophobicContact CD2-CG2 4.42Å; Y297-V392 HydrophobicContact CE2-CG2 4.1Å
298T98.4Very high96.6Very high0 Ų031.4 Ų31.40%016%0.163CC..Hα-helixtrans-66.8-38.6177.3-490000111.8I138 I139 S146 P147 E294 F295 F296 A300 T301I138-T298 HydrophobicContact CB-CG2 4.05Å; I138-T298 HydrophobicContact CG2-CG2 3.8Å; I139-T298 HydrophobicContact CD1-CG2 4.33Å; I139-T298 HydrophobicContact CG1-CG2 3.91Å; S146-T298 WeakPolarHBondContact CB-O 3.47Å; S146-T298 PolarHBondContact OG-O 3.31Å; P147-T298 HydrophobicContact CG-CG2 4.23Å; E294-T298 WeakPolarHBondContact O-CB 3.35Å; E294-T298 PolarHBondContact O-N 3.44Å; E294-T298 PolarHBondContact O-OG1 3.02Å; F295-T298 PolarHBondContact O-N 3.47Å; F296-T298 VanDerWaalsContact C-N 3.3Å; F296-T298 PolarHBondContact O-N 2.77Å; T298-A300 VanDerWaalsContact C-N 3.33Å; T298-T301 WeakPolarHBondContact O-CG2 3.3Å
299A97.6Very high97Very high5 Ų531.9 Ų31.94%0.04116%0.161CC..Hα-helixtrans-69-32.4178.100000112.6F295 F296 F306 F405F295-A299 WeakPolarHBondContact O-CB 3.48Å; F295-A299 PolarHBondContact O-N 2.99Å; F296-A299 PolarHBondContact O-N 3.23Å; A299-F306 HydrophobicContact CB-CE2 3.77Å; A299-F306 HydrophobicContact CB-CZ 3.89Å; A299-F405 HydrophobicContact CB-CE1 4.18Å; A299-F405 HydrophobicContact CB-CZ 4.01Å
300A97.9Very high97.2Very high0 Ų030 Ų300%016%0.156CC..Hα-helixtrans-92-30.6-171.800000114P104 F296 Y297 T298 N302 N303 F306 W390P104-A300 WeakPolarHBondContact CG-O 3.5Å; F296-A300 VanDerWaalsContact O-CB 3.24Å; F296-A300 WeakPolarHBondContact O-CB 3.29Å; F296-A300 PolarHBondContact O-N 3.23Å; Y297-A300 PolarHBondContact O-N 3.18Å; T298-A300 VanDerWaalsContact C-N 3.33Å; A300-N302 VanDerWaalsContact C-N 3.28Å; A300-N302 PolarHBondContact O-N 2.93Å; A300-N302 VanDerWaalsContact O-N 3.09Å; A300-N303 PolarHBondContact O-N 3.05Å; A300-F306 HydrophobicContact CB-CB 4.31Å; A300-F306 HydrophobicContact CB-CD1 3.51Å; A300-F306 HydrophobicContact CB-CD2 4.07Å; A300-F306 HydrophobicContact CB-CE1 3.68Å; A300-F306 HydrophobicContact CB-CE2 4.19Å; A300-F306 HydrophobicContact CB-CG 3.73Å; A300-F306 HydrophobicContact CB-CZ 4.03Å; A300-W390 HydrophobicContact CB-CE3 4.35Å; A300-W390 HydrophobicContact CB-CH2 4.42Å; A300-W390 HydrophobicContact CB-CZ3 3.64Å
301T97.9Very high97Very high2 Ų234.8 Ų34.81%0.01219%0.19CC..THydrogen-bonded Turntrans-49.5-42.8-172.1-178.40000113.8S102 K107 I139 Y297 T298S102-T301 WeakPolarHBondContact O-CA 3.32Å; S102-T301 WeakPolarHBondContact O-CB 3.48Å; S102-T301 PolarHBondContact O-OG1 3.26Å; K107-T301 WeakPolarHBondContact CE-O 3.24Å; K107-T301 VanDerWaalsContact NZ-C 3.34Å; K107-T301 PolarHBondContact NZ-O 3.48Å; K107-T301 PolarHBondContact NZ-OG1 2.9Å; I139-T301 HydrophobicContact CD1-CG2 3.48Å; I139-T301 VanDerWaalsContact CD1-CG2 3.48Å; Y297-T301 PolarHBondContact O-N 2.83Å; T298-T301 WeakPolarHBondContact O-CG2 3.3Å
302N96.6Very high97Very high88 Ų8834.9 Ų34.947%0.47119%0.19SC..THydrogen-bonded Turntrans-10114.8-177-69.4-14.8000114.1K107 A300K107-N302 PolarHBondContact NZ-OD1 3.36Å; A300-N302 VanDerWaalsContact C-N 3.28Å; A300-N302 PolarHBondContact O-N 2.93Å; A300-N302 VanDerWaalsContact O-N 3.09Å
303N96.7Very high96.9Very high16 Ų1636.4 Ų36.49%0.08621%0.209CC..  trans-124.894.6179.2-177.20000110.9A300 C305 F306 N312A300-N303 PolarHBondContact O-N 3.05Å; N303-C305 PolarHBondContact O-N 2.76Å; N303-C305 VanDerWaalsContact O-N 3.13Å; N303-C305 PolarHBondContact OD1-N 3.18Å; N303-F306 HydrophobicContact CB-CB 4.13Å; N303-F306 HydrophobicContact CB-CD2 4.22Å; N303-F306 WeakPolarHBondContact O-CB 3.35Å; N303-F306 PolarHBondContact O-N 2.77Å; N303-F306 VanDerWaalsContact O-N 3.16Å; N303-F306 PolarHBondContact OD1-N 2.81Å; N303-N312 PolarHBondContact ND2-OD1 2.57Å
304P95.3Very high96.8Very high94 Ų9437 Ų3761%0.6121%0.214SC*.THydrogen-bonded Turntrans-63.1-15.8177.6-22.734000114.9P104P104-P304 HydrophobicContact CB-CB 4.26Å; P104-P304 HydrophobicContact CB-CG 4.39Å
305C96.5Very high96.7Very high36 Ų3637.4 Ų37.424%0.24322%0.217CC..THydrogen-bonded Turntrans-105.318.2179-61.30000112.2N303 D307 K308 N312N303-C305 PolarHBondContact O-N 2.76Å; N303-C305 VanDerWaalsContact O-N 3.13Å; N303-C305 PolarHBondContact OD1-N 3.18Å; C305-D307 PolarHBondContact O-N 3.01Å; C305-D307 VanDerWaalsContact O-N 3.17Å; C305-K308 PolarHBondContact O-N 3.47Å; C305-N312 HydrophobicContact CB-CB 4.39Å; C305-N312 VanDerWaalsContact O-CB 3.32Å; C305-N312 WeakPolarHBondContact O-CB 3.37Å; C305-N312 PolarHBondContact O-ND2 3.48Å; C305-N312 VanDerWaalsContact O-ND2 3.16Å
306F97.6Very high96.5Very high0 Ų038.6 Ų38.60%022%0.224CC..THydrogen-bonded Turntrans-61.4-25.4-174.7-166.9-103.3000113.7A299 A300 N303 N312 I314 W390 S391 A394 M398 F405A299-F306 HydrophobicContact CB-CE2 3.77Å; A299-F306 HydrophobicContact CB-CZ 3.89Å; A300-F306 HydrophobicContact CB-CB 4.31Å; A300-F306 HydrophobicContact CB-CD1 3.51Å; A300-F306 HydrophobicContact CB-CD2 4.07Å; A300-F306 HydrophobicContact CB-CE1 3.68Å; A300-F306 HydrophobicContact CB-CE2 4.19Å; A300-F306 HydrophobicContact CB-CG 3.73Å; A300-F306 HydrophobicContact CB-CZ 4.03Å; N303-F306 HydrophobicContact CB-CB 4.13Å; N303-F306 HydrophobicContact CB-CD2 4.22Å; N303-F306 WeakPolarHBondContact O-CB 3.35Å; N303-F306 PolarHBondContact O-N 2.77Å; N303-F306 VanDerWaalsContact O-N 3.16Å; N303-F306 PolarHBondContact OD1-N 2.81Å; F306-N312 PolarHBondContact O-ND2 3.42Å; F306-I314 HydrophobicContact CD2-CD1 3.8Å; F306-I314 HydrophobicContact CE2-CD1 3.4Å; F306-I314 VanDerWaalsContact CE2-CD1 3.4Å; F306-I314 HydrophobicContact CZ-CD1 4.41Å; F306-W390 HydrophobicContact CB-CH2 3.43Å; F306-W390 VanDerWaalsContact CB-CH2 3.43Å; F306-W390 HydrophobicContact CB-CZ2 3.94Å; F306-W390 HydrophobicContact CB-CZ3 4.14Å; F306-W390 HydrophobicContact CG-CH2 4.38Å; F306-S391 WeakPolarHBondContact CE1-O 3.43Å; F306-A394 HydrophobicContact CD1-CB 3.63Å; F306-A394 HydrophobicContact CE1-CB 4Å; F306-M398 HydrophobicContact CD1-CE 3.73Å; F306-M398 HydrophobicContact CD2-CE 3.84Å; F306-M398 HydrophobicContact CE1-CE 3.54Å; F306-M398 HydrophobicContact CE2-CE 3.68Å; F306-M398 HydrophobicContact CG-CE 3.87Å; F306-M398 HydrophobicContact CZ-CE 3.51Å; F306-M398 WeakPolarHBondContact O-CE 3.23Å; F306-F405 HydrophobicContact CE2-CE2 4.45Å; F306-F405 AromaticContact CE2-CZ 3.88Å; F306-F405 HydrophobicContact CE2-CZ 3.88Å; F306-F405 HydrophobicContact CZ-CE2 4.08Å; F306-F405 AromaticContact CZ-CZ 3.8Å; F306-F405 HydrophobicContact CZ-CZ 3.8Å
307D96.8Very high96.4Very high42 Ų4242.8 Ų42.823%0.22524%0.244CC..THydrogen-bonded Turntrans-90.13.1177.862.6-21.3000114.6C305 M378 W390 A394C305-D307 PolarHBondContact O-N 3.01Å; C305-D307 VanDerWaalsContact O-N 3.17Å; D307-M378 HydrophobicContact CB-CE 3.56Å; D307-M378 HydrophobicContact CB-SD 3.71Å; D307-W390 HydrophobicContact CB-CZ2 3.88Å; D307-W390 VanDerWaalsContact CB-NE1 3.29Å; D307-W390 PolarHBondContact OD2-NE1 2.9Å; D307-A394 HydrophobicContact CB-CB 4.17Å
308K96.8Very high96.3Very high109 Ų10942.9 Ų42.947%0.47424%0.244SC..  trans-118.7155.2179.5-64.8173.9-172.6175.20110.5C305 N312 E375C305-K308 PolarHBondContact O-N 3.47Å; K308-N312 WeakPolarHBondContact O-CB 3.22Å; K308-N312 PolarHBondContact O-ND2 3.07Å; K308-E375 WeakPolarHBondContact CA-OE1 3.08Å
309M97.4Very high96.2Very high24 Ų2447.3 Ų47.312%0.11827%0.273CS..SBendtrans-80.9-51.2168.7-176176.371.200110.3N312 Q317 I318 W374 E375M309-N312 PolarHBondContact O-N 3.46Å; M309-Q317 PolarHBondContact O-NE2 3.23Å; M309-Q317 PolarHBondContact O-OE1 3.04Å; M309-I318 WeakPolarHBondContact CE-O 3.42Å; M309-I318 PolarHBondContact SD-N 3.22Å; M309-I318 VanDerWaalsContact SD-N 3.44Å; M309-I318 VanDerWaalsContact SD-O 3.32Å; M309-W374 HydrophobicContact CB-CZ2 4.16Å; M309-E375 PolarHBondContact N-OE1 3.08Å
310D95.6Very high96.3Very high104 Ų10448.3 Ų48.356%0.55628%0.276SS*.THydrogen-bonded Turntrans-66.3139.5-179.5-68.7-17000110.9N312 Q317D310-N312 PolarHBondContact O-N 3.48Å; D310-Q317 PolarHBondContact OD1-OE1 3.33Å
311S93.4Very high96.3Very high106 Ų10651.9 Ų51.974%0.74130%0.295SS*.THydrogen-bonded Turntrans61.42.6-178.5-55.10000115.9P313S311-P313 WeakPolarHBondContact O-CD 3.28Å
312N96.4Very high96.3Very high3 Ų363.6 Ų63.62%0.01634%0.339CS..  trans-84.3110.7175.8-175.8-10.8000110.5N303 C305 F306 K308 M309 D310 I314 C315 M398N303-N312 PolarHBondContact ND2-OD1 2.57Å; C305-N312 HydrophobicContact CB-CB 4.39Å; C305-N312 VanDerWaalsContact O-CB 3.32Å; C305-N312 WeakPolarHBondContact O-CB 3.37Å; C305-N312 PolarHBondContact O-ND2 3.48Å; C305-N312 VanDerWaalsContact O-ND2 3.16Å; F306-N312 PolarHBondContact O-ND2 3.42Å; K308-N312 WeakPolarHBondContact O-CB 3.22Å; K308-N312 PolarHBondContact O-ND2 3.07Å; M309-N312 PolarHBondContact O-N 3.46Å; D310-N312 PolarHBondContact O-N 3.48Å; N312-I314 PolarHBondContact O-N 2.97Å; N312-I314 WeakPolarHBondContact OD1-CG1 3.32Å; N312-I314 PolarHBondContact OD1-N 2.68Å; N312-C315 HydrophobicContact CB-CB 3.76Å; N312-C315 PolarHBondContact O-N 3.37Å; N312-C315 VanDerWaalsContact O-N 3.09Å; N312-M398 PolarHBondContact ND2-SD 3.01Å
313P94.1Very high96.3Very high105 Ų10562.9 Ų62.968%0.68234%0.335SS*.THydrogen-bonded Turntrans-66.7-16.8-170.127.2-36000114S311S311-P313 WeakPolarHBondContact O-CD 3.28Å
314I94.8Very high96.4Very high33 Ų3367 Ų6717%0.16936%0.362CS..THydrogen-bonded Turntrans-104.1-3.8-179.466.3157.9000113L148 F306 N312 M398 S404 F405L148-I314 HydrophobicContact CD1-CG2 3.85Å; L148-I314 HydrophobicContact CD2-CB 4.46Å; L148-I314 HydrophobicContact CD2-CD1 4.39Å; L148-I314 HydrophobicContact CD2-CG2 3.75Å; L148-I314 HydrophobicContact CG-CG2 4.48Å; F306-I314 HydrophobicContact CD2-CD1 3.8Å; F306-I314 HydrophobicContact CE2-CD1 3.4Å; F306-I314 VanDerWaalsContact CE2-CD1 3.4Å; F306-I314 HydrophobicContact CZ-CD1 4.41Å; N312-I314 PolarHBondContact O-N 2.97Å; N312-I314 WeakPolarHBondContact OD1-CG1 3.32Å; N312-I314 PolarHBondContact OD1-N 2.68Å; I314-M398 HydrophobicContact CD1-CE 4.34Å; I314-S404 VanDerWaalsContact O-CB 3.26Å; I314-S404 WeakPolarHBondContact O-CB 3.36Å; I314-S404 PolarHBondContact O-OG 3.38Å; I314-F405 HydrophobicContact CD1-CE1 4.08Å; I314-F405 HydrophobicContact CD1-CE2 4.23Å; I314-F405 HydrophobicContact CD1-CZ 3.53Å
315C96.3Very high96.5Very high10 Ų1068.4 Ų68.47%0.06836%0.361CS..SBendtrans-97129.6-178.2-169.50000110.9N312 Q317 M398N312-C315 HydrophobicContact CB-CB 3.76Å; N312-C315 PolarHBondContact O-N 3.37Å; N312-C315 VanDerWaalsContact O-N 3.09Å; C315-Q317 PolarHBondContact O-NE2 2.91Å; C315-M398 HydrophobicContact CB-SD 4.18Å
316V94.7Very high96.6Very high26 Ų2667 Ų6716%0.15835%0.352CS..  trans-67.4132.9169.4179.90000109.2I318 S403 I487 L491V316-I318 HydrophobicContact CB-CG1 4.34Å; V316-I318 HydrophobicContact CG1-CD1 4.37Å; V316-I318 HydrophobicContact CG1-CG1 3.82Å; V316-I318 PolarHBondContact O-N 3.47Å; V316-S403 WeakPolarHBondContact CG2-O 3.34Å; V316-S403 PolarHBondContact N-O 3.22Å; V316-I487 HydrophobicContact CG1-CG2 4.14Å; V316-L491 HydrophobicContact CB-CD1 4.5Å; V316-L491 HydrophobicContact CG1-CD1 3.44Å; V316-L491 VanDerWaalsContact CG1-CD1 3.44Å; V316-L491 HydrophobicContact CG1-CD2 4.49Å; V316-L491 HydrophobicContact CG2-CD1 4.19Å
317Q95.8Very high96.7Very high96 Ų9668.5 Ų68.545%0.44936%0.36SS..  trans-82.291.6178.5-54.8-55.6-56.100109.2M309 D310 C315M309-Q317 PolarHBondContact O-NE2 3.23Å; M309-Q317 PolarHBondContact O-OE1 3.04Å; D310-Q317 PolarHBondContact OD1-OE1 3.33Å; C315-Q317 PolarHBondContact O-NE2 2.91Å
318I95.6Very high96.8Very high2 Ų268.1 Ų68.11%0.0136%0.362CS..  trans-97.8129.7-179.2-63.9172.6000108.2M309 V316 W320 W371 M484 I487M309-I318 WeakPolarHBondContact CE-O 3.42Å; M309-I318 PolarHBondContact SD-N 3.22Å; M309-I318 VanDerWaalsContact SD-N 3.44Å; M309-I318 VanDerWaalsContact SD-O 3.32Å; V316-I318 HydrophobicContact CB-CG1 4.34Å; V316-I318 HydrophobicContact CG1-CD1 4.37Å; V316-I318 HydrophobicContact CG1-CG1 3.82Å; V316-I318 PolarHBondContact O-N 3.47Å; I318-W320 HydrophobicContact CB-CD2 4.07Å; I318-W320 HydrophobicContact CB-CG 4.46Å; I318-W320 HydrophobicContact CB-CH2 4.43Å; I318-W320 HydrophobicContact CB-CZ2 3.8Å; I318-W320 HydrophobicContact CD1-CH2 3.87Å; I318-W320 HydrophobicContact CD1-CZ2 3.41Å; I318-W320 VanDerWaalsContact CD1-CZ2 3.41Å; I318-W320 HydrophobicContact CG1-CZ2 4.17Å; I318-W320 HydrophobicContact CG2-CD2 3.48Å; I318-W320 VanDerWaalsContact CG2-CD2 3.48Å; I318-W320 VanDerWaalsContact CG2-CE2 3.41Å; I318-W320 HydrophobicContact CG2-CE3 3.67Å; I318-W320 HydrophobicContact CG2-CG 4.12Å; I318-W320 HydrophobicContact CG2-CH2 3.76Å; I318-W320 HydrophobicContact CG2-CZ2 3.59Å; I318-W320 HydrophobicContact CG2-CZ3 3.8Å; I318-W320 PolarHBondContact O-N 2.94Å; I318-W371 HydrophobicContact CG2-CH2 4.35Å; I318-W371 HydrophobicContact CG2-CZ2 3.74Å; I318-M484 HydrophobicContact CD1-CE 3.92Å; I318-M484 HydrophobicContact CD1-SD 3.96Å; I318-I487 HydrophobicContact CB-CD1 4.5Å; I318-I487 HydrophobicContact CG1-CD1 4.38Å; I318-I487 HydrophobicContact CG1-CG2 4.36Å; I318-I487 HydrophobicContact CG2-CD1 3.83Å
319P97Very high96.9Very high93 Ų9366 Ų6660%0.60435%0.353SS*.  trans-74.777.2176.631.9-35.8000110.2W371P319-W371 PolarHBondContact O-NE1 3.36Å
320W98.4Very high96.9Very high26 Ų2664.9 Ų64.910%0.09835%0.348CS..  trans-69.1147.3176-59.5118.6000111.7I318 R367 W371 S373 W374 M484I318-W320 HydrophobicContact CB-CD2 4.07Å; I318-W320 HydrophobicContact CB-CG 4.46Å; I318-W320 HydrophobicContact CB-CH2 4.43Å; I318-W320 HydrophobicContact CB-CZ2 3.8Å; I318-W320 HydrophobicContact CD1-CH2 3.87Å; I318-W320 HydrophobicContact CD1-CZ2 3.41Å; I318-W320 VanDerWaalsContact CD1-CZ2 3.41Å; I318-W320 HydrophobicContact CG1-CZ2 4.17Å; I318-W320 HydrophobicContact CG2-CD2 3.48Å; I318-W320 VanDerWaalsContact CG2-CD2 3.48Å; I318-W320 VanDerWaalsContact CG2-CE2 3.41Å; I318-W320 HydrophobicContact CG2-CE3 3.67Å; I318-W320 HydrophobicContact CG2-CG 4.12Å; I318-W320 HydrophobicContact CG2-CH2 3.76Å; I318-W320 HydrophobicContact CG2-CZ2 3.59Å; I318-W320 HydrophobicContact CG2-CZ3 3.8Å; I318-W320 PolarHBondContact O-N 2.94Å; W320-R367 HydrophobicContact CH2-CB 4.42Å; W320-W371 AromaticContact CE3-CD2 3.83Å; W320-W371 HydrophobicContact CE3-CD2 3.83Å; W320-W371 AromaticContact CE3-CE2 3.82Å; W320-W371 HydrophobicContact CE3-CE3 4.32Å; W320-W371 HydrophobicContact CE3-CG 4.05Å; W320-W371 HydrophobicContact CE3-CZ2 4.33Å; W320-W371 AromaticContact CE3-NE1 3.98Å; W320-W371 AromaticContact CZ3-CD2 3.74Å; W320-W371 HydrophobicContact CZ3-CD2 3.74Å; W320-W371 AromaticContact CZ3-CE2 3.91Å; W320-W371 AromaticContact CZ3-CE3 3.75Å; W320-W371 HydrophobicContact CZ3-CE3 3.75Å; W320-W371 HydrophobicContact CZ3-CG 4.35Å; W320-W371 HydrophobicContact CZ3-CH2 4.15Å; W320-W371 HydrophobicContact CZ3-CZ2 4.11Å; W320-W371 AromaticContact CZ3-CZ3 3.97Å; W320-W371 HydrophobicContact CZ3-CZ3 3.97Å; W320-S373 VanDerWaalsContact CG-CA 3.47Å; W320-W374 AromaticContact NE1-CD1 3.63Å; W320-M484 HydrophobicContact CH2-SD 4.48Å
321D98.1Very high97.1Very high74 Ų7460.4 Ų60.440%0.39633%0.325SS..BIsolated β-bridgetrans-77143.9178.7-70.7-28.6000110.6W371 R483D321-W371 PolarHBondContact N-O 3.21Å; D321-R483 IonicContact OD2-NH1 3.62Å; D321-R483 PolarHBondContact OD2-NH1 3.39Å
322R97.9Very high97.3Very high249 Ų24959.7 Ų59.794%0.9431%0.31SS*.  trans-95.999.7169.8-70.4-175.4176.4-178.7-0.4109.1
323N98.1Very high97.4Very high73 Ų7360 Ų6039%0.3931%0.313SS..  trans-132.685.5179.7-168.6-23000111.4E325 A326 L327 I372N323-E325 VanDerWaalsContact C-N 3.28Å; N323-E325 PolarHBondContact O-N 3.41Å; N323-E325 PolarHBondContact OD1-N 2.93Å; N323-A326 HydrophobicContact CB-CB 4.03Å; N323-A326 VanDerWaalsContact CG-CB 3.41Å; N323-A326 PolarHBondContact O-N 3.15Å; N323-A326 WeakPolarHBondContact OD1-CB 3.5Å; N323-A326 PolarHBondContact OD1-N 2.94Å; N323-L327 WeakPolarHBondContact O-CB 3.46Å; N323-L327 PolarHBondContact O-N 3.28Å; N323-I372 HydrophobicContact CB-CD1 4.31Å
324P98Very high97.6Very high102 Ų10261.1 Ų61.166%0.66230%0.304SS*.Hα-helixtrans-61-33.5-177.8-24.234.5000113.7L327 A328P324-L327 PolarHBondContact O-N 3.23Å; P324-A328 WeakPolarHBondContact O-CB 3.34Å; P324-A328 PolarHBondContact O-N 2.79Å
325E98.4Very high97.8Very high124 Ų12459.5 Ų59.558%0.57930%0.296SS*.Hα-helixtrans-68.1-45.3179-170.2-168.2155.800111.3N323 A328 K329N323-E325 VanDerWaalsContact C-N 3.28Å; N323-E325 PolarHBondContact O-N 3.41Å; N323-E325 PolarHBondContact OD1-N 2.93Å; E325-A328 PolarHBondContact O-N 3.05Å; E325-K329 WeakPolarHBondContact O-CG 3.38Å; E325-K329 PolarHBondContact O-N 2.91Å; E325-K329 VanDerWaalsContact OE1-CE 3.3Å; E325-K329 WeakPolarHBondContact OE1-CE 3.43Å; E325-K329 IonicContact OE1-NZ 3.69Å; E325-K329 PolarHBondContact OE1-NZ 2.96Å
326A98.5Very high97.9Very high7 Ų759 Ų596%0.05829%0.293CS..Hα-helixtrans-66-39.1176.500000111.9N323 K329 W330 L370 I372 M470N323-A326 HydrophobicContact CB-CB 4.03Å; N323-A326 VanDerWaalsContact CG-CB 3.41Å; N323-A326 PolarHBondContact O-N 3.15Å; N323-A326 WeakPolarHBondContact OD1-CB 3.5Å; N323-A326 PolarHBondContact OD1-N 2.94Å; A326-K329 PolarHBondContact O-N 3.28Å; A326-W330 PolarHBondContact O-N 3.18Å; A326-L370 HydrophobicContact CB-CD1 4.45Å; A326-I372 HydrophobicContact CB-CD1 3.88Å; A326-M470 HydrophobicContact CB-CE 3.49Å; A326-M470 VanDerWaalsContact CB-CE 3.49Å
327L98.7Very high98.1Very high31 Ų3158 Ų5816%0.16229%0.286CS..Hα-helixtrans-59.9-47.4173.8177.460.7000111.4N323 P324 K329 W330 A331 L365 I372 E376N323-L327 WeakPolarHBondContact O-CB 3.46Å; N323-L327 PolarHBondContact O-N 3.28Å; P324-L327 PolarHBondContact O-N 3.23Å; L327-K329 PolarHBondContact O-N 3.02Å; L327-W330 HydrophobicContact CD1-CE3 4.21Å; L327-W330 PolarHBondContact O-N 3.41Å; L327-A331 WeakPolarHBondContact O-CB 3.47Å; L327-A331 PolarHBondContact O-N 2.97Å; L327-L365 HydrophobicContact CD1-CD1 4.14Å; L327-I372 HydrophobicContact CB-CD1 4.08Å; L327-I372 HydrophobicContact CD1-CG2 4.46Å; L327-E376 HydrophobicContact CD1-CB 3.81Å; L327-E376 HydrophobicContact CD2-CB 3.79Å; L327-E376 HydrophobicContact CD2-CG 3.98Å; L327-E376 HydrophobicContact CG-CB 4.47Å
328A98.5Very high98.2Very high34 Ų3453.5 Ų53.528%0.28127%0.265SS..Hα-helixtrans-61.2-44.9178.500000111.6P324 E325 W330 A331 E332P324-A328 WeakPolarHBondContact O-CB 3.34Å; P324-A328 PolarHBondContact O-N 2.79Å; E325-A328 PolarHBondContact O-N 3.05Å; A328-W330 VanDerWaalsContact C-N 3.31Å; A328-W330 PolarHBondContact O-N 2.96Å; A328-A331 PolarHBondContact O-N 3.32Å; A328-E332 VanDerWaalsContact O-CB 3.3Å; A328-E332 WeakPolarHBondContact O-CB 3.41Å; A328-E332 WeakPolarHBondContact O-CG 3.48Å; A328-E332 PolarHBondContact O-N 3.29Å
329K98.8Very high98.4Very high64 Ų6453.4 Ų53.428%0.27827%0.265SS..Hα-helixtrans-58.9-42175.2-73.7175.7-173.21660112E325 A326 L327 G333 R334 M470E325-K329 WeakPolarHBondContact O-CG 3.38Å; E325-K329 PolarHBondContact O-N 2.91Å; E325-K329 VanDerWaalsContact OE1-CE 3.3Å; E325-K329 WeakPolarHBondContact OE1-CE 3.43Å; E325-K329 IonicContact OE1-NZ 3.69Å; E325-K329 PolarHBondContact OE1-NZ 2.96Å; A326-K329 PolarHBondContact O-N 3.28Å; L327-K329 PolarHBondContact O-N 3.02Å; K329-G333 PolarHBondContact O-N 3.24Å; K329-R334 CarbonylContact O-C 3.59Å; K329-R334 PolarHBondContact O-N 3.46Å; K329-M470 HydrophobicContact CB-CE 4.12Å; K329-M470 HydrophobicContact CB-SD 4.15Å; K329-M470 HydrophobicContact CD-CB 4.45Å; K329-M470 HydrophobicContact CD-CE 4.16Å
330W98.8Very high98.5Very high0 Ų049 Ų490%024%0.236CC..Hα-helixtrans-67-50.1176.1175.485.7000112.1A326 L327 A328 E332 G333 T335 M344 V361 F364 L365 L370 V380 F381 W397A326-W330 PolarHBondContact O-N 3.18Å; L327-W330 HydrophobicContact CD1-CE3 4.21Å; L327-W330 PolarHBondContact O-N 3.41Å; A328-W330 VanDerWaalsContact C-N 3.31Å; A328-W330 PolarHBondContact O-N 2.96Å; W330-E332 VanDerWaalsContact C-N 3.25Å; W330-E332 PolarHBondContact O-N 2.95Å; W330-G333 PolarHBondContact O-N 2.89Å; W330-T335 HydrophobicContact CB-CG2 4.24Å; W330-M344 HydrophobicContact CD2-CE 4.06Å; W330-M344 HydrophobicContact CE3-CE 3.97Å; W330-M344 HydrophobicContact CH2-CE 3.64Å; W330-M344 HydrophobicContact CH2-SD 4.24Å; W330-M344 HydrophobicContact CZ2-CE 3.73Å; W330-M344 HydrophobicContact CZ2-SD 3.76Å; W330-M344 HydrophobicContact CZ3-CE 3.77Å; W330-M344 WeakPolarHBondContact O-CG 3.43Å; W330-V361 HydrophobicContact CZ2-CB 4.01Å; W330-V361 HydrophobicContact CZ2-CG2 4.09Å; W330-V361 PolarHBondContact NE1-O 3.17Å; W330-F364 AromaticContact CD1-CD1 3.8Å; W330-L365 HydrophobicContact CB-CD1 4.25Å; W330-L365 HydrophobicContact CD2-CB 4.19Å; W330-L365 HydrophobicContact CD2-CD1 3.85Å; W330-L365 HydrophobicContact CD2-CD2 4.09Å; W330-L365 HydrophobicContact CD2-CG 4.27Å; W330-L365 HydrophobicContact CE3-CD1 4.04Å; W330-L365 HydrophobicContact CE3-CD2 3.92Å; W330-L365 HydrophobicContact CE3-CG 4.48Å; W330-L365 HydrophobicContact CG-CB 4.41Å; W330-L365 HydrophobicContact CG-CD1 3.93Å; W330-L365 HydrophobicContact CH2-CD2 3.82Å; W330-L365 HydrophobicContact CZ2-CB 4.23Å; W330-L365 HydrophobicContact CZ2-CD2 3.98Å; W330-L365 HydrophobicContact CZ3-CD2 3.78Å; W330-L370 HydrophobicContact CB-CD1 4Å; W330-V380 HydrophobicContact CH2-CB 4.34Å; W330-V380 HydrophobicContact CH2-CG1 4.29Å; W330-V380 HydrophobicContact CZ3-CB 3.76Å; W330-V380 HydrophobicContact CZ3-CG1 3.78Å; W330-V380 HydrophobicContact CZ3-CG2 3.89Å; W330-F381 HydrophobicContact CH2-CD1 4.19Å; W330-F381 AromaticContact CH2-CE1 3.93Å; W330-F381 HydrophobicContact CH2-CE1 3.93Å; W330-F381 HydrophobicContact CZ2-CE1 4.21Å; W330-W397 AromaticContact CH2-CH2 3.77Å; W330-W397 HydrophobicContact CH2-CH2 3.77Å; W330-W397 HydrophobicContact CH2-CZ2 4.01Å; W330-W397 AromaticContact CZ2-CH2 3.85Å; W330-W397 HydrophobicContact CZ2-CH2 3.85Å; W330-W397 HydrophobicContact CZ2-CZ2 4.39Å
331A98.4Very high98.5Very high11 Ų1147.8 Ų47.89%0.09123%0.231CC..Hα-helixtrans-60.6-36-177.300000112.2L327 A328 R348 V380L327-A331 WeakPolarHBondContact O-CB 3.47Å; L327-A331 PolarHBondContact O-N 2.97Å; A328-A331 PolarHBondContact O-N 3.32Å; A331-R348 PolarHBondContact O-NH2 3.49Å; A331-V380 HydrophobicContact CB-CG1 4.19Å; A331-V380 HydrophobicContact CB-CG2 3.92Å
332E98.3Very high98.5Very high91 Ų9144.2 Ų44.243%0.42521%0.213SC..THydrogen-bonded Turntrans-92.8-0-177.7-63.3170.2-163.400113.9A328 W330 R334A328-E332 VanDerWaalsContact O-CB 3.3Å; A328-E332 WeakPolarHBondContact O-CB 3.41Å; A328-E332 WeakPolarHBondContact O-CG 3.48Å; A328-E332 PolarHBondContact O-N 3.29Å; W330-E332 VanDerWaalsContact C-N 3.25Å; W330-E332 PolarHBondContact O-N 2.95Å; E332-R334 HydrophobicContact CB-CG 4.23Å; E332-R334 IonicContact OE1-NH2 2.81Å; E332-R334 IonicContact OE2-CZ 3.46Å; E332-R334 IonicContact OE2-NE 3.29Å; E332-R334 PolarHBondContact OE2-NE 3.42Å; E332-R334 IonicContact OE2-NH2 2.82Å; E332-R334 PolarHBondContact OE2-NH2 2.83Å
333G98.4Very high98.6Very high8 Ų832.4 Ų32.48%0.08217%0.168CC..THydrogen-bonded Turntrans67.345.1-179.200000113.2K329 W330 D341K329-G333 PolarHBondContact O-N 3.24Å; W330-G333 PolarHBondContact O-N 2.89Å; G333-D341 VanDerWaalsContact O-CB 3.26Å; G333-D341 WeakPolarHBondContact O-CB 3.36Å
334R98.5Very high98.6Very high129 Ų12928.9 Ų28.949%0.48715%0.149SC..  trans-124.532.1179.6-54.9-168.7-68.5147.9-0.9112.1K329 E332 G336 D341 P467K329-R334 CarbonylContact O-C 3.59Å; K329-R334 PolarHBondContact O-N 3.46Å; E332-R334 HydrophobicContact CB-CG 4.23Å; E332-R334 IonicContact OE1-NH2 2.81Å; E332-R334 IonicContact OE2-CZ 3.46Å; E332-R334 IonicContact OE2-NE 3.29Å; E332-R334 PolarHBondContact OE2-NE 3.42Å; E332-R334 IonicContact OE2-NH2 2.82Å; E332-R334 PolarHBondContact OE2-NH2 2.83Å; R334-G336 VanDerWaalsContact C-N 3.26Å; R334-G336 PolarHBondContact O-N 2.97Å; R334-D341 PolarHBondContact N-OD1 3.46Å; R334-P467 HydrophobicContact CB-CG 4.49Å
335T98.8Very high98.6Very high0 Ų025.2 Ų25.20%013%0.125CC..SBendtrans-73.9-20.1-179.268.60000112.9W330 F337 I340 D341 F364 M470W330-T335 HydrophobicContact CB-CG2 4.24Å; T335-F337 PolarHBondContact OG1-N 3.44Å; T335-F337 VanDerWaalsContact OG1-N 3.13Å; T335-I340 HydrophobicContact CG2-CG2 3.92Å; T335-D341 VanDerWaalsContact CB-OD1 3.29Å; T335-D341 WeakPolarHBondContact CB-OD1 3.35Å; T335-D341 WeakPolarHBondContact CG2-OD1 3.34Å; T335-D341 PolarHBondContact N-OD1 2.76Å; T335-D341 PolarHBondContact N-OD2 3.31Å; T335-D341 PolarHBondContact OG1-OD1 3.27Å; T335-F364 HydrophobicContact CG2-CE1 3.76Å; T335-F364 HydrophobicContact CG2-CZ 4.34Å; T335-M470 VanDerWaalsContact CB-SD 3.59Å; T335-M470 HydrophobicContact CG2-SD 3.74Å; T335-M470 WeakPolarHBondContact O-CB 3.44Å; T335-M470 WeakPolarHBondContact O-CG 3.43Å; T335-M470 PolarHBondContact O-N 2.86Å
336G98.4Very high98.6Very high0 Ų019.3 Ų19.30%010%0.097CC..SBendtrans82.12.7-172.200000113.3R334 P338 D341 W448 Y466R334-G336 VanDerWaalsContact C-N 3.26Å; R334-G336 PolarHBondContact O-N 2.97Å; G336-P338 WeakPolarHBondContact O-CD 3.3Å; G336-D341 PolarHBondContact N-OD2 3.01Å; G336-W448 WeakPolarHBondContact O-CZ3 3.32Å; G336-Y466 WeakPolarHBondContact CA-OH 3.22Å
337F98.8Very high98.6Very high5 Ų519 Ų192%0.02210%0.095CC..  trans-102.5104.7169.6-69.7-92000109.6T335 W339 I340 D341 F364 P415 V416 W448 Y466 P469 V471 H473T335-F337 PolarHBondContact OG1-N 3.44Å; T335-F337 VanDerWaalsContact OG1-N 3.13Å; F337-W339 PolarHBondContact O-N 2.73Å; F337-I340 HydrophobicContact CB-CB 4.21Å; F337-I340 HydrophobicContact CB-CG1 4.06Å; F337-I340 PolarHBondContact O-N 2.88Å; F337-D341 PolarHBondContact O-N 3.49Å; F337-F364 AromaticContact CD2-CE2 3.67Å; F337-F364 HydrophobicContact CD2-CE2 3.67Å; F337-F364 AromaticContact CD2-CZ 3.6Å; F337-F364 HydrophobicContact CD2-CZ 3.6Å; F337-F364 AromaticContact CE2-CE2 3.84Å; F337-F364 HydrophobicContact CE2-CE2 3.84Å; F337-F364 AromaticContact CE2-CZ 3.86Å; F337-F364 HydrophobicContact CE2-CZ 3.86Å; F337-F364 HydrophobicContact CG-CE2 4.11Å; F337-F364 HydrophobicContact CG-CZ 4.39Å; F337-F364 HydrophobicContact CZ-CE2 4.42Å; F337-P415 HydrophobicContact CB-CB 4.4Å; F337-P415 HydrophobicContact CD1-CB 3.86Å; F337-P415 HydrophobicContact CD1-CG 3.7Å; F337-P415 HydrophobicContact CE1-CB 4.45Å; F337-P415 HydrophobicContact CE1-CG 3.78Å; F337-P415 HydrophobicContact CG-CB 4.24Å; F337-P415 HydrophobicContact CG-CG 4.38Å; F337-V416 HydrophobicContact CD1-CG2 4.13Å; F337-V416 HydrophobicContact CE1-CG2 4.29Å; F337-W448 AromaticContact CD1-CH2 3.53Å; F337-W448 HydrophobicContact CD1-CH2 3.53Å; F337-W448 HydrophobicContact CD1-CZ2 4.34Å; F337-W448 HydrophobicContact CD1-CZ3 4.24Å; F337-W448 AromaticContact CE1-CH2 3.68Å; F337-W448 HydrophobicContact CE1-CH2 3.68Å; F337-W448 HydrophobicContact CE1-CZ2 4.05Å; F337-W448 HydrophobicContact CG-CH2 4.34Å; F337-Y466 VanDerWaalsContact C-OH 3.23Å; F337-Y466 PolarHBondContact N-OH 2.58Å; F337-P469 HydrophobicContact CD2-CB 4.44Å; F337-P469 HydrophobicContact CE2-CB 3.77Å; F337-P469 HydrophobicContact CZ-CB 3.83Å; F337-V471 HydrophobicContact CE2-CG2 3.88Å; F337-V471 HydrophobicContact CZ-CG2 4.21Å; F337-V471 WeakPolarHBondContact CZ-O 3.44Å; F337-H473 HydrophobicContact CE1-CB 4.34Å; F337-H473 HydrophobicContact CZ-CB 4.34Å
338P98.8Very high98.6Very high0 Ų022 Ų220%010%0.104CC..Hα-helixtrans-55.8-33.3-170.6-32.838000115G336 A342 I429 L433 L436 I444 P447 Y466G336-P338 WeakPolarHBondContact O-CD 3.3Å; P338-A342 WeakPolarHBondContact O-CB 3.39Å; P338-A342 PolarHBondContact O-N 3.32Å; P338-I429 HydrophobicContact CB-CD1 3.71Å; P338-I429 HydrophobicContact CB-CG1 4.18Å; P338-I429 HydrophobicContact CB-CG2 3.9Å; P338-L433 HydrophobicContact CB-CD1 4.19Å; P338-L433 WeakPolarHBondContact O-CD1 3.26Å; P338-L436 HydrophobicContact CB-CD1 3.7Å; P338-L436 HydrophobicContact CG-CD1 3.61Å; P338-I444 WeakPolarHBondContact CB-O 3.39Å; P338-I444 WeakPolarHBondContact CG-O 3.43Å; P338-P447 HydrophobicContact CG-CG 3.74Å; P338-Y466 VanDerWaalsContact CA-OH 3.3Å; P338-Y466 WeakPolarHBondContact CA-OH 3.46Å; P338-Y466 WeakPolarHBondContact CD-OH 3.22Å; P338-Y466 HydrophobicContact CG-CE1 4.04Å; P338-Y466 VanDerWaalsContact N-OH 3.09Å
339W98.6Very high98.5Very high0 Ų025.5 Ų25.50%011%0.114CC..Hα-helixtrans-63.8-48176175.4-115000112.7L244 F337 I343 P415 F418 T422 Y428 Y445L244-W339 HydrophobicContact CD1-CH2 3.61Å; L244-W339 HydrophobicContact CD1-CZ3 3.72Å; L244-W339 HydrophobicContact CD2-CH2 3.8Å; L244-W339 HydrophobicContact CG-CH2 4.37Å; F337-W339 PolarHBondContact O-N 2.73Å; W339-I343 HydrophobicContact CD2-CD1 3.93Å; W339-I343 VanDerWaalsContact CE2-CD1 3.44Å; W339-I343 HydrophobicContact CG-CD1 4.34Å; W339-I343 HydrophobicContact CH2-CD1 4.31Å; W339-I343 HydrophobicContact CZ2-CD1 3.67Å; W339-I343 HydrophobicContact CZ2-CG1 4.49Å; W339-I343 WeakPolarHBondContact O-CD1 3.37Å; W339-I343 VanDerWaalsContact O-CG1 3.25Å; W339-I343 WeakPolarHBondContact O-CG1 3.38Å; W339-I343 PolarHBondContact O-N 3.3Å; W339-P415 WeakPolarHBondContact CB-O 3.49Å; W339-F418 AromaticContact CE2-CD1 3.92Å; W339-F418 AromaticContact CZ2-CD1 3.78Å; W339-F418 HydrophobicContact CZ2-CD1 3.78Å; W339-F418 AromaticContact CZ2-CE1 3.9Å; W339-F418 HydrophobicContact CZ2-CE1 3.9Å; W339-F418 AromaticContact NE1-CD1 3.68Å; W339-T422 HydrophobicContact CH2-CG2 4.37Å; W339-Y428 HydrophobicContact CE3-CD1 4.09Å; W339-Y428 HydrophobicContact CE3-CE1 4.32Å; W339-Y428 AromaticContact CZ3-CD1 3.69Å; W339-Y428 HydrophobicContact CZ3-CD1 3.69Å; W339-Y428 AromaticContact CZ3-CE1 3.97Å; W339-Y428 HydrophobicContact CZ3-CE1 3.97Å; W339-Y428 HydrophobicContact CZ3-CG 4.49Å; W339-Y445 HydrophobicContact CB-CD1 4.2Å; W339-Y445 HydrophobicContact CB-CE1 4.34Å; W339-Y445 HydrophobicContact CE3-CE1 4.06Å
340I98.8Very high98.4Very high1 Ų123.3 Ų23.31%0.00511%0.105CC..Hα-helixtrans-67-45.7179.5-59.5-58.6000109.5T335 F337 A342 I343 M344 A360 V361 F364 P415T335-I340 HydrophobicContact CG2-CG2 3.92Å; F337-I340 HydrophobicContact CB-CB 4.21Å; F337-I340 HydrophobicContact CB-CG1 4.06Å; F337-I340 PolarHBondContact O-N 2.88Å; I340-A342 PolarHBondContact O-N 3.12Å; I340-I343 PolarHBondContact O-N 3.07Å; I340-M344 HydrophobicContact CG2-CG 4.5Å; I340-M344 WeakPolarHBondContact O-CG 3.42Å; I340-M344 PolarHBondContact O-N 3.35Å; I340-A360 HydrophobicContact CD1-CB 4.45Å; I340-V361 HydrophobicContact CD1-CG1 4.21Å; I340-V361 HydrophobicContact CG2-CG1 4.23Å; I340-F364 HydrophobicContact CD1-CB 3.92Å; I340-F364 HydrophobicContact CD1-CD2 4.26Å; I340-F364 HydrophobicContact CD1-CG 4.13Å; I340-F364 HydrophobicContact CG1-CB 4.38Å; I340-F364 HydrophobicContact CG1-CD2 3.94Å; I340-F364 HydrophobicContact CG1-CE2 4.34Å; I340-F364 HydrophobicContact CG1-CG 4.04Å; I340-F364 HydrophobicContact CG2-CD1 4.13Å; I340-F364 HydrophobicContact CG2-CE1 4.45Å; I340-F364 HydrophobicContact CG2-CG 4.38Å; I340-P415 HydrophobicContact CD1-CB 4.14Å; I340-P415 HydrophobicContact CG1-CB 3.83Å
341D98.9Very high98.3Very high0 Ų023.3 Ų23.30%011%0.105CC..Hα-helixtrans-64.6-39.4-178.3-69.3-7.5000111.9G333 R334 T335 G336 F337 M344 T345 L433 Y466G333-D341 VanDerWaalsContact O-CB 3.26Å; G333-D341 WeakPolarHBondContact O-CB 3.36Å; R334-D341 PolarHBondContact N-OD1 3.46Å; T335-D341 VanDerWaalsContact CB-OD1 3.29Å; T335-D341 WeakPolarHBondContact CB-OD1 3.35Å; T335-D341 WeakPolarHBondContact CG2-OD1 3.34Å; T335-D341 PolarHBondContact N-OD1 2.76Å; T335-D341 PolarHBondContact N-OD2 3.31Å; T335-D341 PolarHBondContact OG1-OD1 3.27Å; G336-D341 PolarHBondContact N-OD2 3.01Å; F337-D341 PolarHBondContact O-N 3.49Å; D341-M344 PolarHBondContact O-N 3.28Å; D341-T345 VanDerWaalsContact O-CB 3.27Å; D341-T345 WeakPolarHBondContact O-CB 3.18Å; D341-T345 PolarHBondContact O-N 3.08Å; D341-T345 PolarHBondContact O-OG1 3.41Å; D341-L433 HydrophobicContact CB-CD1 3.79Å; D341-L433 HydrophobicContact CB-CD2 4.31Å; D341-Y466 PolarHBondContact OD2-OH 3.4Å
342A98.8Very high98.3Very high0 Ų024.1 Ų24.10%011%0.106CC..Hα-helixtrans-65-40.2175.100000112.1P338 I340 T345 Q346 Y428 I429 L433P338-A342 WeakPolarHBondContact O-CB 3.39Å; P338-A342 PolarHBondContact O-N 3.32Å; I340-A342 PolarHBondContact O-N 3.12Å; A342-T345 PolarHBondContact O-N 3.05Å; A342-Q346 PolarHBondContact O-N 3.26Å; A342-Y428 HydrophobicContact CB-CD1 3.97Å; A342-Y428 HydrophobicContact CB-CE1 3.65Å; A342-I429 HydrophobicContact CB-CG1 4.26Å; A342-L433 HydrophobicContact CB-CD1 4.1Å; A342-L433 HydrophobicContact CB-CG 4.12Å
343I98.8Very high98.3Very high0 Ų019.8 Ų19.80%09%0.086CC..Hα-helixtrans-64-48.4176.2-66.4165.3000111W339 I340 T345 Q346 L347 I353 A357 A360 V361 Y428W339-I343 HydrophobicContact CD2-CD1 3.93Å; W339-I343 VanDerWaalsContact CE2-CD1 3.44Å; W339-I343 HydrophobicContact CG-CD1 4.34Å; W339-I343 HydrophobicContact CH2-CD1 4.31Å; W339-I343 HydrophobicContact CZ2-CD1 3.67Å; W339-I343 HydrophobicContact CZ2-CG1 4.49Å; W339-I343 WeakPolarHBondContact O-CD1 3.37Å; W339-I343 VanDerWaalsContact O-CG1 3.25Å; W339-I343 WeakPolarHBondContact O-CG1 3.38Å; W339-I343 PolarHBondContact O-N 3.3Å; I340-I343 PolarHBondContact O-N 3.07Å; I343-T345 VanDerWaalsContact C-N 3.26Å; I343-T345 PolarHBondContact O-N 3.19Å; I343-Q346 PolarHBondContact O-N 3.02Å; I343-L347 WeakPolarHBondContact O-CB 3.26Å; I343-L347 PolarHBondContact O-N 3.46Å; I343-I353 HydrophobicContact CG2-CB 4.31Å; I343-I353 HydrophobicContact CG2-CD1 3.5Å; I343-I353 HydrophobicContact CG2-CG2 4.04Å; I343-A357 HydrophobicContact CD1-CB 3.75Å; I343-A357 HydrophobicContact CG1-CB 3.87Å; I343-A357 HydrophobicContact CG2-CB 3.8Å; I343-A360 HydrophobicContact CD1-CB 4.19Å; I343-V361 HydrophobicContact CB-CG1 3.72Å; I343-V361 HydrophobicContact CD1-CG1 3.99Å; I343-V361 HydrophobicContact CG1-CG1 4.48Å; I343-V361 HydrophobicContact CG2-CG1 3.45Å; I343-V361 VanDerWaalsContact CG2-CG1 3.45Å; I343-V361 HydrophobicContact CG2-CG2 4.39Å; I343-Y428 WeakPolarHBondContact CA-OH 3.37Å; I343-Y428 HydrophobicContact CG1-CE1 3.98Å
344M98.8Very high98.2Very high0 Ų020.6 Ų20.60%09%0.087CC..Hα-helixtrans-66.1-33-179.7-65-55.4-67.200111.5W330 I340 D341 L347 R348 V361 V380W330-M344 HydrophobicContact CD2-CE 4.06Å; W330-M344 HydrophobicContact CE3-CE 3.97Å; W330-M344 HydrophobicContact CH2-CE 3.64Å; W330-M344 HydrophobicContact CH2-SD 4.24Å; W330-M344 HydrophobicContact CZ2-CE 3.73Å; W330-M344 HydrophobicContact CZ2-SD 3.76Å; W330-M344 HydrophobicContact CZ3-CE 3.77Å; W330-M344 WeakPolarHBondContact O-CG 3.43Å; I340-M344 HydrophobicContact CG2-CG 4.5Å; I340-M344 WeakPolarHBondContact O-CG 3.42Å; I340-M344 PolarHBondContact O-N 3.35Å; D341-M344 PolarHBondContact O-N 3.28Å; M344-L347 HydrophobicContact CE-CD2 4.26Å; M344-L347 PolarHBondContact O-N 3.27Å; M344-L347 HydrophobicContact SD-CD2 4.35Å; M344-R348 WeakPolarHBondContact O-CB 3.37Å; M344-R348 PolarHBondContact O-N 3.03Å; M344-V361 HydrophobicContact CG-CG1 4.15Å; M344-V361 HydrophobicContact SD-CB 3.92Å; M344-V361 HydrophobicContact SD-CG1 3.92Å; M344-V361 HydrophobicContact SD-CG2 4.01Å; M344-V380 HydrophobicContact CE-CG1 4.03Å
345T98.5Very high97.9Very high25 Ų2518.5 Ų18.515%0.1538%0.083CC..Hα-helixtrans-66.6-46.4172.5-580000111.9D341 A342 I343 L347 R348 Q349 Y432D341-T345 VanDerWaalsContact O-CB 3.27Å; D341-T345 WeakPolarHBondContact O-CB 3.18Å; D341-T345 PolarHBondContact O-N 3.08Å; D341-T345 PolarHBondContact O-OG1 3.41Å; A342-T345 PolarHBondContact O-N 3.05Å; I343-T345 VanDerWaalsContact C-N 3.26Å; I343-T345 PolarHBondContact O-N 3.19Å; T345-L347 VanDerWaalsContact C-N 3.32Å; T345-L347 PolarHBondContact O-N 3.19Å; T345-R348 PolarHBondContact O-N 3.19Å; T345-Q349 HydrophobicContact CG2-CG 4.31Å; T345-Q349 VanDerWaalsContact CG2-NE2 3.34Å; T345-Q349 WeakPolarHBondContact O-CB 3.33Å; T345-Q349 WeakPolarHBondContact O-CG 3.44Å; T345-Q349 PolarHBondContact O-N 2.97Å; T345-Y432 WeakPolarHBondContact CG2-O 3.38Å
346Q98.4Very high97.5Very high0 Ų020.1 Ų20.10%09%0.091CC..Hα-helixtrans-58.4-46174.3-178.6-17719.600111.1L244 A342 I343 R348 Q349 E350 I353 Y428 Y432L244-Q346 PolarHBondContact O-NE2 3.45Å; L244-Q346 PolarHBondContact O-OE1 3.34Å; A342-Q346 PolarHBondContact O-N 3.26Å; I343-Q346 PolarHBondContact O-N 3.02Å; Q346-R348 VanDerWaalsContact C-N 3.33Å; Q346-R348 PolarHBondContact O-N 3.37Å; Q346-Q349 PolarHBondContact O-N 3.31Å; Q346-E350 HydrophobicContact CG-CG 4.31Å; Q346-E350 PolarHBondContact NE2-OE2 3.01Å; Q346-E350 VanDerWaalsContact NE2-OE2 3.11Å; Q346-E350 WeakPolarHBondContact O-CB 3.27Å; Q346-E350 PolarHBondContact O-N 3.35Å; Q346-I353 HydrophobicContact CB-CG2 4.03Å; Q346-I353 HydrophobicContact CG-CG2 3.98Å; Q346-Y428 VanDerWaalsContact OE1-CE2 3.3Å; Q346-Y428 PolarHBondContact OE1-OH 3.49Å; Q346-Y432 HydrophobicContact CB-CD1 3.83Å; Q346-Y432 HydrophobicContact CB-CD2 4.24Å; Q346-Y432 HydrophobicContact CB-CE1 3.65Å; Q346-Y432 HydrophobicContact CB-CE2 4.09Å; Q346-Y432 HydrophobicContact CB-CG 4.13Å; Q346-Y432 HydrophobicContact CG-CD1 4.39Å; Q346-Y432 HydrophobicContact CG-CE1 3.69Å; Q346-Y432 HydrophobicContact CG-CE2 4.12Å; Q346-Y432 PolarHBondContact NE2-OH 3.07Å
347L98.5Very high97.4Very high0 Ų020.1 Ų20.10%09%0.091CC..Hα-helixtrans-57.4-47.1178.8176.157000111.3I343 M344 T345 G351 I353 F381 L384 L385I343-L347 WeakPolarHBondContact O-CB 3.26Å; I343-L347 PolarHBondContact O-N 3.46Å; M344-L347 HydrophobicContact CE-CD2 4.26Å; M344-L347 PolarHBondContact O-N 3.27Å; M344-L347 HydrophobicContact SD-CD2 4.35Å; T345-L347 VanDerWaalsContact C-N 3.32Å; T345-L347 PolarHBondContact O-N 3.19Å; L347-G351 WeakPolarHBondContact O-CA 3.31Å; L347-G351 PolarHBondContact O-N 3.4Å; L347-I353 HydrophobicContact CB-CD1 4.36Å; L347-I353 HydrophobicContact CB-CG2 3.77Å; L347-I353 HydrophobicContact CD1-CG1 4.34Å; L347-I353 HydrophobicContact CD2-CD1 4.24Å; L347-F381 HydrophobicContact CD2-CD1 3.73Å; L347-F381 HydrophobicContact CD2-CE1 3.5Å; L347-F381 VanDerWaalsContact CD2-CE1 3.5Å; L347-F381 HydrophobicContact CD2-CZ 4.15Å; L347-L384 HydrophobicContact CD1-CB 4.01Å; L347-L384 HydrophobicContact CD2-CB 4.27Å; L347-L384 HydrophobicContact CD2-CD1 4.27Å; L347-L384 HydrophobicContact CG-CB 3.76Å; L347-L384 HydrophobicContact CG-CD1 4.12Å; L347-L385 HydrophobicContact CD1-CB 4.01Å; L347-L385 HydrophobicContact CD1-CD1 3.46Å; L347-L385 VanDerWaalsContact CD1-CD1 3.46Å; L347-L385 HydrophobicContact CD1-CG 4.35Å
348R97.2Very high97.4Very high93 Ų9322 Ų2235%0.35110%0.098SC..Hα-helixtrans-66.2-42179.9-171.6172.6-64.3-78.7-1.4112.6N50 A331 M344 T345 Q346 E383 L384N50-R348 PolarHBondContact ND2-O 3.02Å; A331-R348 PolarHBondContact O-NH2 3.49Å; M344-R348 WeakPolarHBondContact O-CB 3.37Å; M344-R348 PolarHBondContact O-N 3.03Å; T345-R348 PolarHBondContact O-N 3.19Å; Q346-R348 VanDerWaalsContact C-N 3.33Å; Q346-R348 PolarHBondContact O-N 3.37Å; R348-E383 IonicContact NH1-OE1 2.96Å; R348-L384 HydrophobicContact CB-CD1 4.21Å; R348-L384 HydrophobicContact CG-CD2 4.27Å
349Q96.5Very high97.2Very high109 Ų10923.4 Ų23.451%0.50911%0.105SC..Hα-helixtrans-74.1-44.8-177.4-71.4177.6-1.500112.8N50 T345 Q346N50-Q349 PolarHBondContact ND2-O 3.12Å; T345-Q349 HydrophobicContact CG2-CG 4.31Å; T345-Q349 VanDerWaalsContact CG2-NE2 3.34Å; T345-Q349 WeakPolarHBondContact O-CB 3.33Å; T345-Q349 WeakPolarHBondContact O-CG 3.44Å; T345-Q349 PolarHBondContact O-N 2.97Å; Q346-Q349 PolarHBondContact O-N 3.31Å
350E97.6Very high97.1Very high17 Ų1723.6 Ų23.68%0.07911%0.106CC..Hα-helixtrans-108.8-17-168-54-176.5175.100113.3V209 W210 Q346 W352 Y432V209-E350 HydrophobicContact CB-CB 4.39Å; V209-E350 HydrophobicContact CB-CG 4.46Å; V209-E350 HydrophobicContact CG2-CB 4.38Å; V209-E350 HydrophobicContact CG2-CG 3.95Å; W210-E350 VanDerWaalsContact CD1-O 3.24Å; Q346-E350 HydrophobicContact CG-CG 4.31Å; Q346-E350 PolarHBondContact NE2-OE2 3.01Å; Q346-E350 VanDerWaalsContact NE2-OE2 3.11Å; Q346-E350 WeakPolarHBondContact O-CB 3.27Å; Q346-E350 PolarHBondContact O-N 3.35Å; E350-W352 PolarHBondContact O-N 3.49Å; E350-Y432 VanDerWaalsContact CD-OH 3.23Å; E350-Y432 VanDerWaalsContact OE1-CE1 3.31Å; E350-Y432 WeakPolarHBondContact OE1-CE1 3.4Å; E350-Y432 PolarHBondContact OE1-OH 2.95Å; E350-Y432 PolarHBondContact OE2-OH 3.48Å
351G97.5Very high97.1Very high0 Ų023.5 Ų23.50%011%0.106CC..SBendtrans72.512.3-178.200000114.7L347 L384 L386L347-G351 WeakPolarHBondContact O-CA 3.31Å; L347-G351 PolarHBondContact O-N 3.4Å; G351-L384 WeakPolarHBondContact CA-O 3.23Å; G351-L386 WeakPolarHBondContact O-CB 3.44Å; G351-L386 WeakPolarHBondContact O-CG 3.4Å; G351-L386 PolarHBondContact O-N 3.35Å
352W98.4Very high97.1Very high29 Ų2923.5 Ų23.511%0.1111%0.106CC..  trans-147.1139.4176-177.192.2000111.4W210 S252 E350 H354 D387W210-W352 HydrophobicContact CH2-CD2 4.45Å; W210-W352 HydrophobicContact CH2-CG 4.49Å; W210-W352 HydrophobicContact CZ2-CB 3.96Å; W210-W352 AromaticContact CZ2-CD2 3.71Å; W210-W352 HydrophobicContact CZ2-CD2 3.71Å; W210-W352 HydrophobicContact CZ2-CE3 4.01Å; W210-W352 AromaticContact CZ2-CG 3.69Å; W210-W352 HydrophobicContact CZ2-CG 3.69Å; S252-W352 PolarHBondContact OG-NE1 2.68Å; E350-W352 PolarHBondContact O-N 3.49Å; W352-H354 HydrophobicContact CH2-CB 3.88Å; W352-H354 HydrophobicContact CZ3-CB 4.28Å; W352-D387 PolarHBondContact NE1-OD2 3.09Å
353I98.2Very high97Very high0 Ų023.7 Ų23.70%011%0.107CC..  trans-137.2148.9169.654.5171.3000110.2I343 Q346 L347 A357 R358 V361 F381 L385I343-I353 HydrophobicContact CG2-CB 4.31Å; I343-I353 HydrophobicContact CG2-CD1 3.5Å; I343-I353 HydrophobicContact CG2-CG2 4.04Å; Q346-I353 HydrophobicContact CB-CG2 4.03Å; Q346-I353 HydrophobicContact CG-CG2 3.98Å; L347-I353 HydrophobicContact CB-CD1 4.36Å; L347-I353 HydrophobicContact CB-CG2 3.77Å; L347-I353 HydrophobicContact CD1-CG1 4.34Å; L347-I353 HydrophobicContact CD2-CD1 4.24Å; I353-A357 HydrophobicContact CB-CB 4.26Å; I353-R358 HydrophobicContact CD1-CB 4.49Å; I353-R358 HydrophobicContact CD1-CG 3.74Å; I353-R358 HydrophobicContact CG1-CG 3.68Å; I353-R358 PolarHBondContact O-NE 2.7Å; I353-R358 PolarHBondContact O-NH2 2.89Å; I353-V361 HydrophobicContact CD1-CG2 4.36Å; I353-F381 HydrophobicContact CD1-CE2 4.48Å; I353-F381 HydrophobicContact CD1-CZ 3.9Å; I353-L385 HydrophobicContact CG1-CD1 4.38Å
354H95.8Very high97Very high25 Ų2523.8 Ų23.812%0.11611%0.107CC..  trans-58.8147178.7-176-91.9000111.8S243 L244 W352 L356 A357 R358S243-H354 PolarHBondContact O-CD2 3.39Å; L244-H354 HydrophobicContact CD2-CB 4.34Å; W352-H354 HydrophobicContact CH2-CB 3.88Å; W352-H354 HydrophobicContact CZ3-CB 4.28Å; H354-L356 VanDerWaalsContact C-N 3.29Å; H354-L356 PolarHBondContact ND1-N 3.49Å; H354-L356 VanDerWaalsContact ND1-N 3.18Å; H354-L356 PolarHBondContact O-N 3.17Å; H354-A357 HydrophobicContact CB-CB 4.45Å; H354-A357 WeakPolarHBondContact O-CA 3.41Å; H354-A357 VanDerWaalsContact O-CB 3.25Å; H354-A357 WeakPolarHBondContact O-CB 3.36Å; H354-A357 PolarHBondContact O-N 3.33Å; H354-R358 PolarHBondContact O-N 3.44Å
355H91.8Very high97Very high84 Ų8423.8 Ų23.839%0.38911%0.107SC..Hα-helixtrans-54.6-40.5-175.968.6-80.7000113.7A357 R358 H359H355-A357 VanDerWaalsContact C-N 3.31Å; H355-A357 PolarHBondContact O-N 2.9Å; H355-R358 VanDerWaalsContact O-CB 3.3Å; H355-R358 WeakPolarHBondContact O-CB 3.5Å; H355-R358 PolarHBondContact O-N 3.48Å; H355-R358 VanDerWaalsContact O-N 3.16Å; H355-H359 PolarHBondContact O-CD2 3.34Å; H355-H359 PolarHBondContact O-N 3.26Å
356L91.4Very high97Very high35 Ų3522.6 Ų22.618%0.18310%0.1CC..Hα-helixtrans-68.4-27.1175.2-68.2174.8000113.9M239 H354 H359 A360 F418M239-L356 HydrophobicContact CB-CD1 4.31Å; M239-L356 HydrophobicContact CE-CB 3.97Å; M239-L356 HydrophobicContact CE-CD1 4.12Å; M239-L356 HydrophobicContact CG-CD1 4.15Å; M239-L356 HydrophobicContact SD-CB 4.17Å; M239-L356 HydrophobicContact SD-CD1 3.27Å; M239-L356 WeakPolarHBondContact SD-CD1 3.36Å; M239-L356 HydrophobicContact SD-CG 4.33Å; H354-L356 VanDerWaalsContact C-N 3.29Å; H354-L356 PolarHBondContact ND1-N 3.49Å; H354-L356 VanDerWaalsContact ND1-N 3.18Å; H354-L356 PolarHBondContact O-N 3.17Å; L356-H359 PolarHBondContact O-N 2.97Å; L356-A360 PolarHBondContact O-N 3.18Å; L356-A360 VanDerWaalsContact O-N 3.14Å; L356-F418 HydrophobicContact CB-CE1 4.38Å; L356-F418 HydrophobicContact CB-CZ 4.05Å
357A96.2Very high96.9Very high0 Ų023.4 Ų23.40%010%0.103CC..Hα-helixtrans-69.8-39.2171.100000110.4L244 I343 I353 H354 H355 H359 A360 V361L244-A357 HydrophobicContact CD2-CB 4.48Å; I343-A357 HydrophobicContact CD1-CB 3.75Å; I343-A357 HydrophobicContact CG1-CB 3.87Å; I343-A357 HydrophobicContact CG2-CB 3.8Å; I353-A357 HydrophobicContact CB-CB 4.26Å; H354-A357 HydrophobicContact CB-CB 4.45Å; H354-A357 WeakPolarHBondContact O-CA 3.41Å; H354-A357 VanDerWaalsContact O-CB 3.25Å; H354-A357 WeakPolarHBondContact O-CB 3.36Å; H354-A357 PolarHBondContact O-N 3.33Å; H355-A357 VanDerWaalsContact C-N 3.31Å; H355-A357 PolarHBondContact O-N 2.9Å; A357-H359 VanDerWaalsContact C-N 3.32Å; A357-H359 PolarHBondContact O-N 2.75Å; A357-A360 PolarHBondContact O-N 2.9Å; A357-A360 VanDerWaalsContact O-N 3.17Å; A357-V361 PolarHBondContact O-N 3.01Å; A357-V361 VanDerWaalsContact O-N 3.08Å
358R97.3Very high96.8Very high44 Ų4423.4 Ų23.417%0.16610%0.103CC..Hα-helixtrans-57.2-45.1171.1-55.9-179-163.9-160.50.8111.5I353 H354 H355 A360 V361 A362 F381 D387I353-R358 HydrophobicContact CD1-CB 4.49Å; I353-R358 HydrophobicContact CD1-CG 3.74Å; I353-R358 HydrophobicContact CG1-CG 3.68Å; I353-R358 PolarHBondContact O-NE 2.7Å; I353-R358 PolarHBondContact O-NH2 2.89Å; H354-R358 PolarHBondContact O-N 3.44Å; H355-R358 VanDerWaalsContact O-CB 3.3Å; H355-R358 WeakPolarHBondContact O-CB 3.5Å; H355-R358 PolarHBondContact O-N 3.48Å; H355-R358 VanDerWaalsContact O-N 3.16Å; R358-A360 VanDerWaalsContact C-N 3.32Å; R358-A360 PolarHBondContact O-N 2.63Å; R358-V361 WeakPolarHBondContact O-CG2 3.25Å; R358-V361 PolarHBondContact O-N 3.11Å; R358-A362 WeakPolarHBondContact O-CB 3.37Å; R358-A362 PolarHBondContact O-N 3.02Å; R358-F381 HydrophobicContact CB-CE2 4.02Å; R358-F381 HydrophobicContact CB-CZ 4.37Å; R358-F381 HydrophobicContact CG-CE2 3.85Å; R358-F381 HydrophobicContact CG-CZ 4.32Å; R358-D387 IonicContact CZ-OD1 3.4Å; R358-D387 IonicContact CZ-OD2 2.76Å; R358-D387 IonicContact NH1-OD1 2.7Å; R358-D387 PolarHBondContact NH1-OD1 3.23Å; R358-D387 IonicContact NH1-OD2 3.69Å; R358-D387 IonicContact NH2-OD1 3.73Å; R358-D387 PolarHBondContact NH2-OD1 3.14Å; R358-D387 IonicContact NH2-OD2 3.05Å; R358-D387 PolarHBondContact NH2-OD2 3.04Å
359H95Very high96.9Very high29 Ų2919.3 Ų19.313%0.1349%0.088CC..Hα-helixtrans-59.4-43.5176.7-70.6-152.7000111.9H355 L356 A357 C363 W399 L400 Y413H355-H359 PolarHBondContact O-CD2 3.34Å; H355-H359 PolarHBondContact O-N 3.26Å; L356-H359 PolarHBondContact O-N 2.97Å; A357-H359 VanDerWaalsContact C-N 3.32Å; A357-H359 PolarHBondContact O-N 2.75Å; H359-C363 WeakPolarHBondContact O-CB 3.25Å; H359-C363 PolarHBondContact O-N 3.24Å; H359-W399 AromaticContact CE1-CH2 3.84Å; H359-W399 AromaticContact CE1-CZ3 3.64Å; H359-W399 AromaticContact NE2-CZ3 3.58Å; H359-L400 HydrophobicContact CB-CD2 4.23Å; H359-L400 VanDerWaalsContact CD2-CD2 3.44Å; H359-L400 WeakPolarHBondContact CD2-CD2 3.29Å; H359-Y413 HydrophobicContact CB-CD2 4.37Å; H359-Y413 HydrophobicContact CB-CE2 3.77Å; H359-Y413 PolarHBondContact ND1-OH 3.26Å
360A97.2Very high97Very high4 Ų414.8 Ų14.83%0.0337%0.068CC..Hα-helixtrans-62.6-50-179.400000111.6I340 I343 L356 A357 R358 C363 F364 F418I340-A360 HydrophobicContact CD1-CB 4.45Å; I343-A360 HydrophobicContact CD1-CB 4.19Å; L356-A360 PolarHBondContact O-N 3.18Å; L356-A360 VanDerWaalsContact O-N 3.14Å; A357-A360 PolarHBondContact O-N 2.9Å; A357-A360 VanDerWaalsContact O-N 3.17Å; R358-A360 VanDerWaalsContact C-N 3.32Å; R358-A360 PolarHBondContact O-N 2.63Å; A360-C363 PolarHBondContact O-N 3.44Å; A360-F364 WeakPolarHBondContact O-CB 3.21Å; A360-F364 PolarHBondContact O-N 3.43Å; A360-F418 HydrophobicContact CB-CD1 4.17Å; A360-F418 HydrophobicContact CB-CE1 4.37Å
361V98.6Very high97Very high0 Ų014.3 Ų14.30%07%0.065CC..Hα-helixtrans-72.9-33.7-178-58.60000112.8W330 I340 I343 M344 I353 A357 R358 F364 L365 F381W330-V361 HydrophobicContact CZ2-CB 4.01Å; W330-V361 HydrophobicContact CZ2-CG2 4.09Å; W330-V361 PolarHBondContact NE1-O 3.17Å; I340-V361 HydrophobicContact CD1-CG1 4.21Å; I340-V361 HydrophobicContact CG2-CG1 4.23Å; I343-V361 HydrophobicContact CB-CG1 3.72Å; I343-V361 HydrophobicContact CD1-CG1 3.99Å; I343-V361 HydrophobicContact CG1-CG1 4.48Å; I343-V361 HydrophobicContact CG2-CG1 3.45Å; I343-V361 VanDerWaalsContact CG2-CG1 3.45Å; I343-V361 HydrophobicContact CG2-CG2 4.39Å; M344-V361 HydrophobicContact CG-CG1 4.15Å; M344-V361 HydrophobicContact SD-CB 3.92Å; M344-V361 HydrophobicContact SD-CG1 3.92Å; M344-V361 HydrophobicContact SD-CG2 4.01Å; I353-V361 HydrophobicContact CD1-CG2 4.36Å; A357-V361 PolarHBondContact O-N 3.01Å; A357-V361 VanDerWaalsContact O-N 3.08Å; R358-V361 WeakPolarHBondContact O-CG2 3.25Å; R358-V361 PolarHBondContact O-N 3.11Å; V361-F364 PolarHBondContact O-N 3.23Å; V361-L365 WeakPolarHBondContact O-CB 3.46Å; V361-L365 PolarHBondContact O-N 2.9Å; V361-F381 HydrophobicContact CG2-CE1 4.1Å; V361-F381 HydrophobicContact CG2-CZ 3.71Å
362A98.3Very high97.1Very high0 Ų014.5 Ų14.50%07%0.066CC..Hα-helixtrans-68.5-41.7174.500000111.6R358 L365 T366 W397 L400R358-A362 WeakPolarHBondContact O-CB 3.37Å; R358-A362 PolarHBondContact O-N 3.02Å; A362-L365 PolarHBondContact O-N 3.31Å; A362-T366 WeakPolarHBondContact O-CB 3.35Å; A362-T366 PolarHBondContact O-N 2.6Å; A362-T366 PolarHBondContact O-OG1 3Å; A362-W397 HydrophobicContact CB-CE3 4.02Å; A362-W397 HydrophobicContact CB-CH2 3.77Å; A362-W397 HydrophobicContact CB-CZ2 4.41Å; A362-W397 HydrophobicContact CB-CZ3 3.54Å; A362-L400 HydrophobicContact CB-CB 4.07Å; A362-L400 HydrophobicContact CB-CD1 3.84Å
363C97.4Very high97.1Very high3 Ų313.6 Ų13.62%0.026%0.064CC..Hα-helixtrans-60.7-49173.8-173.80000110.3H359 A360 L365 T366 G368 Y413H359-C363 WeakPolarHBondContact O-CB 3.25Å; H359-C363 PolarHBondContact O-N 3.24Å; A360-C363 PolarHBondContact O-N 3.44Å; C363-L365 PolarHBondContact O-N 2.97Å; C363-T366 PolarHBondContact O-N 2.81Å; C363-G368 WeakPolarHBondContact O-CA 3.41Å; C363-G368 PolarHBondContact O-N 3.43Å; C363-Y413 HydrophobicContact CB-CD2 4.04Å; C363-Y413 PolarHBondContact SG-N 3.18Å; C363-Y413 VanDerWaalsContact SG-N 3.4Å
364F98.7Very high97.1Very high2 Ų213.6 Ų13.61%0.0096%0.064CC..Iπ-helixtrans-57.8-46.9179.1-172.5-90.2000112W330 T335 F337 I340 A360 V361 T366 D369 L370 P415 M470 V471W330-F364 AromaticContact CD1-CD1 3.8Å; T335-F364 HydrophobicContact CG2-CE1 3.76Å; T335-F364 HydrophobicContact CG2-CZ 4.34Å; F337-F364 AromaticContact CD2-CE2 3.67Å; F337-F364 HydrophobicContact CD2-CE2 3.67Å; F337-F364 AromaticContact CD2-CZ 3.6Å; F337-F364 HydrophobicContact CD2-CZ 3.6Å; F337-F364 AromaticContact CE2-CE2 3.84Å; F337-F364 HydrophobicContact CE2-CE2 3.84Å; F337-F364 AromaticContact CE2-CZ 3.86Å; F337-F364 HydrophobicContact CE2-CZ 3.86Å; F337-F364 HydrophobicContact CG-CE2 4.11Å; F337-F364 HydrophobicContact CG-CZ 4.39Å; F337-F364 HydrophobicContact CZ-CE2 4.42Å; I340-F364 HydrophobicContact CD1-CB 3.92Å; I340-F364 HydrophobicContact CD1-CD2 4.26Å; I340-F364 HydrophobicContact CD1-CG 4.13Å; I340-F364 HydrophobicContact CG1-CB 4.38Å; I340-F364 HydrophobicContact CG1-CD2 3.94Å; I340-F364 HydrophobicContact CG1-CE2 4.34Å; I340-F364 HydrophobicContact CG1-CG 4.04Å; I340-F364 HydrophobicContact CG2-CD1 4.13Å; I340-F364 HydrophobicContact CG2-CE1 4.45Å; I340-F364 HydrophobicContact CG2-CG 4.38Å; A360-F364 WeakPolarHBondContact O-CB 3.21Å; A360-F364 PolarHBondContact O-N 3.43Å; V361-F364 PolarHBondContact O-N 3.23Å; F364-T366 PolarHBondContact O-N 2.97Å; F364-D369 HydrophobicContact CD2-CB 3.75Å; F364-D369 VanDerWaalsContact CD2-CG 3.46Å; F364-D369 VanDerWaalsContact CD2-OD2 3.26Å; F364-D369 WeakPolarHBondContact CD2-OD2 3.26Å; F364-D369 HydrophobicContact CE2-CB 3.87Å; F364-D369 HydrophobicContact CG-CB 4.12Å; F364-D369 HydrophobicContact CZ-CB 4.34Å; F364-D369 WeakPolarHBondContact O-CB 3.38Å; F364-D369 PolarHBondContact O-N 3.32Å; F364-L370 HydrophobicContact CD1-CD1 4.01Å; F364-L370 HydrophobicContact CD1-CG 3.99Å; F364-L370 HydrophobicContact CE1-CD1 3.77Å; F364-L370 HydrophobicContact CE1-CD2 3.94Å; F364-L370 HydrophobicContact CE1-CG 3.78Å; F364-L370 HydrophobicContact CZ-CD2 4.31Å; F364-L370 PolarHBondContact O-N 3.25Å; F364-P415 HydrophobicContact CD2-CB 3.91Å; F364-P415 HydrophobicContact CD2-CG 4.08Å; F364-P415 HydrophobicContact CE2-CB 4.15Å; F364-P415 HydrophobicContact CE2-CG 4.12Å; F364-M470 HydrophobicContact CE1-SD 4.12Å; F364-M470 HydrophobicContact CZ-CG 4.41Å; F364-M470 HydrophobicContact CZ-SD 4.35Å; F364-V471 HydrophobicContact CE2-CG2 4.46Å; F364-V471 HydrophobicContact CZ-CG2 4.28Å
365L98.8Very high97.2Very high0 Ų014.3 Ų14.30%07%0.068CC..Iπ-helixtrans-64.2-41179.7-177.865.1000113.3L327 W330 V361 A362 C363 L370 W371 I372 W397L327-L365 HydrophobicContact CD1-CD1 4.14Å; W330-L365 HydrophobicContact CB-CD1 4.25Å; W330-L365 HydrophobicContact CD2-CB 4.19Å; W330-L365 HydrophobicContact CD2-CD1 3.85Å; W330-L365 HydrophobicContact CD2-CD2 4.09Å; W330-L365 HydrophobicContact CD2-CG 4.27Å; W330-L365 HydrophobicContact CE3-CD1 4.04Å; W330-L365 HydrophobicContact CE3-CD2 3.92Å; W330-L365 HydrophobicContact CE3-CG 4.48Å; W330-L365 HydrophobicContact CG-CB 4.41Å; W330-L365 HydrophobicContact CG-CD1 3.93Å; W330-L365 HydrophobicContact CH2-CD2 3.82Å; W330-L365 HydrophobicContact CZ2-CB 4.23Å; W330-L365 HydrophobicContact CZ2-CD2 3.98Å; W330-L365 HydrophobicContact CZ3-CD2 3.78Å; V361-L365 WeakPolarHBondContact O-CB 3.46Å; V361-L365 PolarHBondContact O-N 2.9Å; A362-L365 PolarHBondContact O-N 3.31Å; C363-L365 PolarHBondContact O-N 2.97Å; L365-L370 HydrophobicContact CD1-CD1 4.15Å; L365-L370 WeakPolarHBondContact O-CB 3.22Å; L365-W371 PolarHBondContact O-N 3.25Å; L365-I372 HydrophobicContact CD1-CB 3.78Å; L365-I372 HydrophobicContact CD1-CD1 3.93Å; L365-I372 HydrophobicContact CD1-CG1 4.37Å; L365-I372 HydrophobicContact CD1-CG2 3.98Å; L365-I372 HydrophobicContact CG-CB 4.19Å; L365-I372 HydrophobicContact CG-CG2 4.41Å; L365-I372 PolarHBondContact O-N 3.13Å; L365-W397 HydrophobicContact CD2-CH2 3.77Å; L365-W397 HydrophobicContact CD2-CZ3 3.85Å
366T98.6Very high97.5Very high0 Ų013.3 Ų13.30%06%0.063CC..Iπ-helixtrans-99.8-113.1-169.262.40000111.1A362 C363 F364 G368 W371 I372 W374 W397A362-T366 WeakPolarHBondContact O-CB 3.35Å; A362-T366 PolarHBondContact O-N 2.6Å; A362-T366 PolarHBondContact O-OG1 3Å; C363-T366 PolarHBondContact O-N 2.81Å; F364-T366 PolarHBondContact O-N 2.97Å; T366-G368 PolarHBondContact O-N 2.97Å; T366-G368 VanDerWaalsContact O-N 3.15Å; T366-W371 VanDerWaalsContact O-CA 3.24Å; T366-W371 WeakPolarHBondContact O-CA 3.4Å; T366-W371 PolarHBondContact O-N 3.03Å; T366-I372 WeakPolarHBondContact CG2-O 3.5Å; T366-W374 HydrophobicContact CG2-CB 3.96Å; T366-W397 HydrophobicContact CG2-CE3 4.28Å; T366-W397 HydrophobicContact CG2-CZ3 3.99Å
367R96.3Very high97.9Very high17 Ų1711.6 Ų11.66%0.0645%0.054CC..Iπ-helixtrans-68.4-10.5-17366.2175.5-179.183.80.8115.3W320 L400 F409 H411 C412 N480 M484W320-R367 HydrophobicContact CH2-CB 4.42Å; R367-L400 PolarHBondContact NE-O 2.86Å; R367-F409 PolarHBondContact NH1-O 3.22Å; R367-H411 PolarHBondContact NH1-O 3.2Å; R367-H411 PolarHBondContact NH2-O 2.57Å; R367-C412 PolarHBondContact NH1-SG 3.33Å; R367-N480 WeakPolarHBondContact O-CB 3.36Å; R367-M484 HydrophobicContact CB-CG 4.18Å
368G96.3Very high97.9Very high0 Ų012 Ų120%06%0.056CC..Iπ-helixtrans-83.1-62-177.600000111.6C363 T366 S477 N480C363-G368 WeakPolarHBondContact O-CA 3.41Å; C363-G368 PolarHBondContact O-N 3.43Å; T366-G368 PolarHBondContact O-N 2.97Å; T366-G368 VanDerWaalsContact O-N 3.15Å; G368-S477 VanDerWaalsContact O-CA 3.23Å; G368-S477 WeakPolarHBondContact O-CA 3.3Å; G368-N480 PolarHBondContact O-ND2 3.5Å; G368-N480 VanDerWaalsContact O-ND2 3.14Å
369D98.4Very high97.9Very high8 Ų813.9 Ų13.94%0.0437%0.065CC..THydrogen-bonded Turntrans-130.1-56.3-165.7-62.4-94.3000113.1F364 V471 H473 N480F364-D369 HydrophobicContact CD2-CB 3.75Å; F364-D369 VanDerWaalsContact CD2-CG 3.46Å; F364-D369 VanDerWaalsContact CD2-OD2 3.26Å; F364-D369 WeakPolarHBondContact CD2-OD2 3.26Å; F364-D369 HydrophobicContact CE2-CB 3.87Å; F364-D369 HydrophobicContact CG-CB 4.12Å; F364-D369 HydrophobicContact CZ-CB 4.34Å; F364-D369 WeakPolarHBondContact O-CB 3.38Å; F364-D369 PolarHBondContact O-N 3.32Å; D369-V471 HydrophobicContact CB-CG2 4.29Å; D369-H473 IonicContact OD1-CE1 2.64Å; D369-H473 IonicContact OD1-CG 2.83Å; D369-H473 IonicContact OD1-ND1 2.92Å; D369-H473 PolarHBondContact OD1-ND1 3.41Å; D369-H473 IonicContact OD2-ND1 3.59Å; D369-N480 VanDerWaalsContact C-ND2 3.33Å; D369-N480 WeakPolarHBondContact CA-ND2 3.25Å; D369-N480 PolarHBondContact O-ND2 3.44Å
370L98.6Very high98Very high14 Ų1413.2 Ų13.27%0.0736%0.063CC..THydrogen-bonded Turntrans-89.2-15.6-168-54.1-174.7000115A326 W330 F364 L365 I372 M470 V471A326-L370 HydrophobicContact CB-CD1 4.45Å; W330-L370 HydrophobicContact CB-CD1 4Å; F364-L370 HydrophobicContact CD1-CD1 4.01Å; F364-L370 HydrophobicContact CD1-CG 3.99Å; F364-L370 HydrophobicContact CE1-CD1 3.77Å; F364-L370 HydrophobicContact CE1-CD2 3.94Å; F364-L370 HydrophobicContact CE1-CG 3.78Å; F364-L370 HydrophobicContact CZ-CD2 4.31Å; F364-L370 PolarHBondContact O-N 3.25Å; L365-L370 HydrophobicContact CD1-CD1 4.15Å; L365-L370 WeakPolarHBondContact O-CB 3.22Å; L370-I372 HydrophobicContact CB-CD1 4.03Å; L370-I372 HydrophobicContact CB-CG1 4.09Å; L370-I372 HydrophobicContact CD1-CD1 4.32Å; L370-I372 PolarHBondContact O-N 2.99Å; L370-M470 HydrophobicContact CD1-CE 3.93Å; L370-M470 HydrophobicContact CD1-SD 4.19Å; L370-M470 HydrophobicContact CD2-CE 3.59Å; L370-M470 HydrophobicContact CD2-CG 4.3Å; L370-M470 HydrophobicContact CD2-SD 3.92Å; L370-M470 HydrophobicContact CG-CE 4.43Å; L370-V471 HydrophobicContact CD2-CG1 3.88Å; L370-V471 HydrophobicContact CD2-CG2 4.42Å
371W98.6Very high98.1Very high6 Ų613.3 Ų13.32%0.0236%0.063CC..  trans56.330.5-178.6-157.2-102.8000114.6I318 P319 W320 D321 L365 T366 N480 R483 M484 I487I318-W371 HydrophobicContact CG2-CH2 4.35Å; I318-W371 HydrophobicContact CG2-CZ2 3.74Å; P319-W371 PolarHBondContact O-NE1 3.36Å; W320-W371 AromaticContact CE3-CD2 3.83Å; W320-W371 HydrophobicContact CE3-CD2 3.83Å; W320-W371 AromaticContact CE3-CE2 3.82Å; W320-W371 HydrophobicContact CE3-CE3 4.32Å; W320-W371 HydrophobicContact CE3-CG 4.05Å; W320-W371 HydrophobicContact CE3-CZ2 4.33Å; W320-W371 AromaticContact CE3-NE1 3.98Å; W320-W371 AromaticContact CZ3-CD2 3.74Å; W320-W371 HydrophobicContact CZ3-CD2 3.74Å; W320-W371 AromaticContact CZ3-CE2 3.91Å; W320-W371 AromaticContact CZ3-CE3 3.75Å; W320-W371 HydrophobicContact CZ3-CE3 3.75Å; W320-W371 HydrophobicContact CZ3-CG 4.35Å; W320-W371 HydrophobicContact CZ3-CH2 4.15Å; W320-W371 HydrophobicContact CZ3-CZ2 4.11Å; W320-W371 AromaticContact CZ3-CZ3 3.97Å; W320-W371 HydrophobicContact CZ3-CZ3 3.97Å; D321-W371 PolarHBondContact N-O 3.21Å; L365-W371 PolarHBondContact O-N 3.25Å; T366-W371 VanDerWaalsContact O-CA 3.24Å; T366-W371 WeakPolarHBondContact O-CA 3.4Å; T366-W371 PolarHBondContact O-N 3.03Å; W371-N480 HydrophobicContact CE3-CB 3.75Å; W371-N480 HydrophobicContact CZ3-CB 3.89Å; W371-N480 WeakPolarHBondContact CZ3-O 3.34Å; W371-R483 VanDerWaalsContact CG-NH1 3.3Å; W371-R483 HydrophobicContact CH2-CB 3.49Å; W371-R483 VanDerWaalsContact CH2-CB 3.49Å; W371-R483 HydrophobicContact CZ2-CB 3.73Å; W371-R483 HydrophobicContact CZ2-CG 4.48Å; W371-R483 HydrophobicContact CZ3-CB 4.03Å; W371-M484 HydrophobicContact CH2-CG 3.65Å; W371-M484 HydrophobicContact CH2-SD 3.41Å; W371-M484 WeakPolarHBondContact CH2-SD 3.29Å; W371-M484 HydrophobicContact CZ2-SD 4.39Å; W371-M484 HydrophobicContact CZ3-CG 3.73Å; W371-M484 HydrophobicContact CZ3-SD 3.9Å; W371-I487 HydrophobicContact CH2-CD1 4Å; W371-I487 HydrophobicContact CZ2-CD1 3.76Å
372I98.8Very high97.9Very high4 Ų416.4 Ų16.42%0.0218%0.077CC..BIsolated β-bridgetrans-91.4149.3178.2-64.4174.9000109.8N323 A326 L327 L365 T366 L370 W374 E376N323-I372 HydrophobicContact CB-CD1 4.31Å; A326-I372 HydrophobicContact CB-CD1 3.88Å; L327-I372 HydrophobicContact CB-CD1 4.08Å; L327-I372 HydrophobicContact CD1-CG2 4.46Å; L365-I372 HydrophobicContact CD1-CB 3.78Å; L365-I372 HydrophobicContact CD1-CD1 3.93Å; L365-I372 HydrophobicContact CD1-CG1 4.37Å; L365-I372 HydrophobicContact CD1-CG2 3.98Å; L365-I372 HydrophobicContact CG-CB 4.19Å; L365-I372 HydrophobicContact CG-CG2 4.41Å; L365-I372 PolarHBondContact O-N 3.13Å; T366-I372 WeakPolarHBondContact CG2-O 3.5Å; L370-I372 HydrophobicContact CB-CD1 4.03Å; L370-I372 HydrophobicContact CB-CG1 4.09Å; L370-I372 HydrophobicContact CD1-CD1 4.32Å; L370-I372 PolarHBondContact O-N 2.99Å; I372-W374 PolarHBondContact O-N 3.46Å; I372-E376 HydrophobicContact CG2-CB 4.08Å; I372-E376 HydrophobicContact CG2-CG 4.17Å
373S98.6Very high97.7Very high11 Ų1119.2 Ų19.28%0.0779%0.091CC..  trans-57.9139.8-179.8-175.80000111.9W320 E375 E376W320-S373 VanDerWaalsContact CG-CA 3.47Å; S373-E375 PolarHBondContact O-N 3.2Å; S373-E375 PolarHBondContact OG-N 2.83Å; S373-E375 PolarHBondContact OG-OE2 3.45Å; S373-E376 PolarHBondContact O-N 3.17Å; S373-E376 VanDerWaalsContact O-N 3.14Å
374W98.5Very high97.7Very high0 Ų019.5 Ų19.50%09%0.092CC..Hα-helixtrans-61.3-23.5172.963.2-96.1000112.3M309 W320 T366 I372 E376 G377 M378 W397 M398 S403M309-W374 HydrophobicContact CB-CZ2 4.16Å; W320-W374 AromaticContact NE1-CD1 3.63Å; T366-W374 HydrophobicContact CG2-CB 3.96Å; I372-W374 PolarHBondContact O-N 3.46Å; W374-E376 VanDerWaalsContact C-N 3.29Å; W374-E376 PolarHBondContact O-N 3.42Å; W374-G377 PolarHBondContact O-N 3.16Å; W374-M378 HydrophobicContact CZ3-SD 4.28Å; W374-M378 WeakPolarHBondContact O-CB 3.41Å; W374-M378 PolarHBondContact O-N 3.18Å; W374-W397 HydrophobicContact CB-CB 4.22Å; W374-W397 HydrophobicContact CB-CE3 4.01Å; W374-W397 HydrophobicContact CE3-CB 3.85Å; W374-M398 HydrophobicContact CD2-CG 4.11Å; W374-M398 HydrophobicContact CE3-CG 4.13Å; W374-M398 HydrophobicContact CH2-CG 3.59Å; W374-M398 HydrophobicContact CH2-SD 4.09Å; W374-M398 HydrophobicContact CZ2-CG 3.56Å; W374-M398 HydrophobicContact CZ2-SD 4.15Å; W374-M398 HydrophobicContact CZ3-CG 3.89Å; W374-S403 PolarHBondContact NE1-OG 2.95Å
375E98.5Very high97.7Very high40 Ų4019.5 Ų19.519%0.1879%0.092CC..Hα-helixtrans-62.1-37175.3-63.8164.3110.900111.4K308 M309 S373 M378 K379K308-E375 WeakPolarHBondContact CA-OE1 3.08Å; M309-E375 PolarHBondContact N-OE1 3.08Å; S373-E375 PolarHBondContact O-N 3.2Å; S373-E375 PolarHBondContact OG-N 2.83Å; S373-E375 PolarHBondContact OG-OE2 3.45Å; E375-M378 WeakPolarHBondContact O-CB 3.42Å; E375-M378 PolarHBondContact O-N 3.02Å; E375-K379 WeakPolarHBondContact O-CG 3.49Å; E375-K379 PolarHBondContact O-N 2.99Å; E375-K379 VanDerWaalsContact O-N 3.11Å
376E98.5Very high97.6Very high62 Ų6219.7 Ų19.729%0.299%0.093SC..Hα-helixtrans-72.5-38.3177.8-59.7-54.815300111.6L327 I372 S373 W374 M378 K379 V380L327-E376 HydrophobicContact CD1-CB 3.81Å; L327-E376 HydrophobicContact CD2-CB 3.79Å; L327-E376 HydrophobicContact CD2-CG 3.98Å; L327-E376 HydrophobicContact CG-CB 4.47Å; I372-E376 HydrophobicContact CG2-CB 4.08Å; I372-E376 HydrophobicContact CG2-CG 4.17Å; S373-E376 PolarHBondContact O-N 3.17Å; S373-E376 VanDerWaalsContact O-N 3.14Å; W374-E376 VanDerWaalsContact C-N 3.29Å; W374-E376 PolarHBondContact O-N 3.42Å; E376-M378 VanDerWaalsContact C-N 3.32Å; E376-K379 PolarHBondContact O-N 3.05Å; E376-K379 IonicContact OE1-NZ 3.57Å; E376-K379 PolarHBondContact OE1-NZ 2.77Å; E376-K379 WeakPolarHBondContact OE2-CD 3.09Å; E376-K379 IonicContact OE2-NZ 2.95Å; E376-K379 PolarHBondContact OE2-NZ 3.49Å; E376-V380 PolarHBondContact O-N 2.9Å
377G98.2Very high97.5Very high0 Ų020.4 Ų20.40%010%0.097CC..Hα-helixtrans-62.7-40.7171.800000112.5W374 K379 V380 F381 W397W374-G377 PolarHBondContact O-N 3.16Å; G377-K379 PolarHBondContact O-N 2.86Å; G377-V380 PolarHBondContact O-N 2.9Å; G377-F381 PolarHBondContact O-N 3.01Å; G377-W397 VanDerWaalsContact CA-CH2 3.42Å; G377-W397 VanDerWaalsContact CA-CZ2 3.44Å; G377-W397 VanDerWaalsContact O-CZ2 3.26Å; G377-W397 WeakPolarHBondContact O-CZ2 3.44Å
378M97.5Very high97.3Very high7 Ų719.9 Ų19.93%0.03410%0.096CC..Hα-helixtrans-58.1-46.7175.1-177.9-170160.300111.4D307 W374 E375 E376 V380 F381 E382 N393 A394 W397D307-M378 HydrophobicContact CB-CE 3.56Å; D307-M378 HydrophobicContact CB-SD 3.71Å; W374-M378 HydrophobicContact CZ3-SD 4.28Å; W374-M378 WeakPolarHBondContact O-CB 3.41Å; W374-M378 PolarHBondContact O-N 3.18Å; E375-M378 WeakPolarHBondContact O-CB 3.42Å; E375-M378 PolarHBondContact O-N 3.02Å; E376-M378 VanDerWaalsContact C-N 3.32Å; M378-V380 PolarHBondContact O-N 3.42Å; M378-F381 CarbonylContact O-C 3.56Å; M378-F381 PolarHBondContact O-N 3.02Å; M378-E382 WeakPolarHBondContact O-CB 3.35Å; M378-E382 PolarHBondContact O-N 3.42Å; M378-N393 HydrophobicContact CG-CB 4.46Å; M378-N393 WeakPolarHBondContact CG-ND2 3.46Å; M378-N393 PolarHBondContact O-ND2 2.9Å; M378-A394 HydrophobicContact CE-CB 3.94Å; M378-A394 HydrophobicContact SD-CB 3.69Å; M378-W397 HydrophobicContact CB-CB 4.49Å; M378-W397 HydrophobicContact CB-CG 4.09Å
379K96.7Very high97.1Very high84 Ų8420 Ų2037%0.36510%0.097SC..Hα-helixtrans-59.9-44.7178.2-69171.3-160.7163.60112.3E375 E376 G377 F381 E382 E383E375-K379 WeakPolarHBondContact O-CG 3.49Å; E375-K379 PolarHBondContact O-N 2.99Å; E375-K379 VanDerWaalsContact O-N 3.11Å; E376-K379 PolarHBondContact O-N 3.05Å; E376-K379 IonicContact OE1-NZ 3.57Å; E376-K379 PolarHBondContact OE1-NZ 2.77Å; E376-K379 WeakPolarHBondContact OE2-CD 3.09Å; E376-K379 IonicContact OE2-NZ 2.95Å; E376-K379 PolarHBondContact OE2-NZ 3.49Å; G377-K379 PolarHBondContact O-N 2.86Å; K379-F381 VanDerWaalsContact C-N 3.33Å; K379-F381 PolarHBondContact O-N 3.2Å; K379-E382 WeakPolarHBondContact O-CB 3.35Å; K379-E382 PolarHBondContact O-N 3.5Å; K379-E383 PolarHBondContact O-N 2.97Å
380V97.9Very high97Very high15 Ų1521.8 Ų21.89%0.09110%0.103CC..Hα-helixtrans-64.5-39.5177.3174.50000111.2W330 A331 M344 E376 G377 M378 E383 L384W330-V380 HydrophobicContact CH2-CB 4.34Å; W330-V380 HydrophobicContact CH2-CG1 4.29Å; W330-V380 HydrophobicContact CZ3-CB 3.76Å; W330-V380 HydrophobicContact CZ3-CG1 3.78Å; W330-V380 HydrophobicContact CZ3-CG2 3.89Å; A331-V380 HydrophobicContact CB-CG1 4.19Å; A331-V380 HydrophobicContact CB-CG2 3.92Å; M344-V380 HydrophobicContact CE-CG1 4.03Å; E376-V380 PolarHBondContact O-N 2.9Å; G377-V380 PolarHBondContact O-N 2.9Å; M378-V380 PolarHBondContact O-N 3.42Å; V380-E383 PolarHBondContact O-N 3.38Å; V380-L384 HydrophobicContact CG1-CD1 3.93Å; V380-L384 WeakPolarHBondContact O-CG 3.5Å; V380-L384 PolarHBondContact O-N 3.44Å
381F97.8Very high96.9Very high6 Ų621.1 Ų21.13%0.02610%0.1CC..Hα-helixtrans-69.7-36.2175.6-89.438.2000111.8W330 L347 I353 R358 V361 G377 M378 K379 E383 L384 L385 N393 W397W330-F381 HydrophobicContact CH2-CD1 4.19Å; W330-F381 AromaticContact CH2-CE1 3.93Å; W330-F381 HydrophobicContact CH2-CE1 3.93Å; W330-F381 HydrophobicContact CZ2-CE1 4.21Å; L347-F381 HydrophobicContact CD2-CD1 3.73Å; L347-F381 HydrophobicContact CD2-CE1 3.5Å; L347-F381 VanDerWaalsContact CD2-CE1 3.5Å; L347-F381 HydrophobicContact CD2-CZ 4.15Å; I353-F381 HydrophobicContact CD1-CE2 4.48Å; I353-F381 HydrophobicContact CD1-CZ 3.9Å; R358-F381 HydrophobicContact CB-CE2 4.02Å; R358-F381 HydrophobicContact CB-CZ 4.37Å; R358-F381 HydrophobicContact CG-CE2 3.85Å; R358-F381 HydrophobicContact CG-CZ 4.32Å; V361-F381 HydrophobicContact CG2-CE1 4.1Å; V361-F381 HydrophobicContact CG2-CZ 3.71Å; G377-F381 PolarHBondContact O-N 3.01Å; M378-F381 CarbonylContact O-C 3.56Å; M378-F381 PolarHBondContact O-N 3.02Å; K379-F381 VanDerWaalsContact C-N 3.33Å; K379-F381 PolarHBondContact O-N 3.2Å; F381-E383 VanDerWaalsContact C-N 3.27Å; F381-E383 PolarHBondContact O-N 3.16Å; F381-L384 PolarHBondContact O-N 2.92Å; F381-L385 HydrophobicContact CB-CB 4.44Å; F381-L385 HydrophobicContact CD2-CD2 3.69Å; F381-L385 HydrophobicContact CE2-CD2 4.3Å; F381-L385 HydrophobicContact CG-CD2 4.38Å; F381-L385 WeakPolarHBondContact O-CA 3.22Å; F381-L385 WeakPolarHBondContact O-CB 3.37Å; F381-L385 PolarHBondContact O-N 2.7Å; F381-N393 WeakPolarHBondContact CB-OD1 3.45Å; F381-W397 AromaticContact CD1-CZ2 3.7Å; F381-W397 HydrophobicContact CD1-CZ2 3.7Å; F381-W397 HydrophobicContact CD2-CZ2 4.11Å; F381-W397 AromaticContact CD2-NE1 3.58Å; F381-W397 AromaticContact CE1-CZ2 3.76Å; F381-W397 HydrophobicContact CE1-CZ2 3.76Å; F381-W397 HydrophobicContact CE2-CZ2 4.16Å; F381-W397 AromaticContact CG-CZ2 3.89Å; F381-W397 HydrophobicContact CG-CZ2 3.89Å; F381-W397 AromaticContact CG-NE1 3.62Å; F381-W397 AromaticContact CZ-CZ2 3.99Å; F381-W397 HydrophobicContact CZ-CZ2 3.99Å
382E95.1Very high96.9Very high65 Ų6522.1 Ų22.130%0.30411%0.106SC..Hα-helixtrans-61.1-41.1172.9-176.9170.6-149.500110.5R51 M378 K379 N393R51-E382 WeakPolarHBondContact CD-O 3.35Å; R51-E382 PolarHBondContact NH1-O 2.95Å; M378-E382 WeakPolarHBondContact O-CB 3.35Å; M378-E382 PolarHBondContact O-N 3.42Å; K379-E382 WeakPolarHBondContact O-CB 3.35Å; K379-E382 PolarHBondContact O-N 3.5Å; E382-N393 PolarHBondContact N-ND2 3.41Å
383E94.8Very high96.8Very high59 Ų5922.3 Ų22.328%0.27611%0.107SC..Hα-helixtrans-62.5-49.4176.1-172-165.5141.400112.7N46 G48 R348 K379 V380 F381N46-E383 WeakPolarHBondContact O-CA 3.34Å; N46-E383 VanDerWaalsContact O-CB 3.29Å; N46-E383 WeakPolarHBondContact O-CB 3.33Å; N46-E383 PolarHBondContact O-N 3.43Å; G48-E383 WeakPolarHBondContact CA-O 3.11Å; G48-E383 PolarHBondContact N-O 2.86Å; R348-E383 IonicContact NH1-OE1 2.96Å; K379-E383 PolarHBondContact O-N 2.97Å; V380-E383 PolarHBondContact O-N 3.38Å; F381-E383 VanDerWaalsContact C-N 3.27Å; F381-E383 PolarHBondContact O-N 3.16Å
384L96.8Very high96.8Very high10 Ų1021.8 Ų21.85%0.05210%0.104CC..Hα-helixtrans-99.4-32.2-164.9-57.1178.2000114.1L347 R348 G351 V380 F381L347-L384 HydrophobicContact CD1-CB 4.01Å; L347-L384 HydrophobicContact CD2-CB 4.27Å; L347-L384 HydrophobicContact CD2-CD1 4.27Å; L347-L384 HydrophobicContact CG-CB 3.76Å; L347-L384 HydrophobicContact CG-CD1 4.12Å; R348-L384 HydrophobicContact CB-CD1 4.21Å; R348-L384 HydrophobicContact CG-CD2 4.27Å; G351-L384 WeakPolarHBondContact CA-O 3.23Å; V380-L384 HydrophobicContact CG1-CD1 3.93Å; V380-L384 WeakPolarHBondContact O-CG 3.5Å; V380-L384 PolarHBondContact O-N 3.44Å; F381-L384 PolarHBondContact O-N 2.92Å
385L97.8Very high96.7Very high2 Ų221.8 Ų21.81%0.0110%0.104CC..  trans-87122.4-166.3-166.369000111.9L347 I353 F381 D387 A388L347-L385 HydrophobicContact CD1-CB 4.01Å; L347-L385 HydrophobicContact CD1-CD1 3.46Å; L347-L385 VanDerWaalsContact CD1-CD1 3.46Å; L347-L385 HydrophobicContact CD1-CG 4.35Å; I353-L385 HydrophobicContact CG1-CD1 4.38Å; F381-L385 HydrophobicContact CB-CB 4.44Å; F381-L385 HydrophobicContact CD2-CD2 3.69Å; F381-L385 HydrophobicContact CE2-CD2 4.3Å; F381-L385 HydrophobicContact CG-CD2 4.38Å; F381-L385 WeakPolarHBondContact O-CA 3.22Å; F381-L385 WeakPolarHBondContact O-CB 3.37Å; F381-L385 PolarHBondContact O-N 2.7Å; L385-D387 VanDerWaalsContact C-N 3.32Å; L385-D387 WeakPolarHBondContact CD2-OD1 3.34Å; L385-D387 VanDerWaalsContact CG-OD1 3.27Å; L385-D387 WeakPolarHBondContact CG-OD1 3.24Å; L385-D387 PolarHBondContact O-N 3.4Å; L385-A388 HydrophobicContact CB-CB 3.94Å; L385-A388 HydrophobicContact CD2-CB 3.98Å; L385-A388 HydrophobicContact CG-CB 4.26Å; L385-A388 PolarHBondContact O-N 3.44Å
386L98.1Very high96.6Very high3 Ų321.4 Ų21.42%0.01611%0.106CC..THydrogen-bonded Turntrans-67.4-30.6-177.8-67.9173.6000113.6N50 R51 F54 W210 P253 R256 F257 G351N50-L386 HydrophobicContact CB-CD2 4.29Å; N50-L386 WeakPolarHBondContact O-CD2 3.11Å; R51-L386 HydrophobicContact CB-CD2 4.49Å; R51-L386 HydrophobicContact CG-CD2 4.02Å; F54-L386 HydrophobicContact CB-CD2 3.79Å; F54-L386 HydrophobicContact CD2-CD1 4.27Å; F54-L386 HydrophobicContact CD2-CD2 4.38Å; F54-L386 HydrophobicContact CG-CD2 4.22Å; W210-L386 HydrophobicContact CB-CD1 3.65Å; W210-L386 HydrophobicContact CG-CD1 3.82Å; P253-L386 HydrophobicContact CB-CB 3.97Å; P253-L386 HydrophobicContact CG-CB 4Å; P253-L386 HydrophobicContact CG-CD1 4.43Å; R256-L386 WeakPolarHBondContact CD-O 3.45Å; F257-L386 WeakPolarHBondContact CE2-O 3.26Å; G351-L386 WeakPolarHBondContact O-CB 3.44Å; G351-L386 WeakPolarHBondContact O-CG 3.4Å; G351-L386 PolarHBondContact O-N 3.35Å
387D96.8Very high96.6Very high15 Ų1518.7 Ų18.78%0.089%0.093CC..THydrogen-bonded Turntrans-102.617.8-178.468.111.6000113.7S252 R256 W352 R358 L385 D389S252-D387 WeakPolarHBondContact CB-OD2 3.46Å; S252-D387 PolarHBondContact OG-OD2 3.4Å; R256-D387 HydrophobicContact CB-CB 4.39Å; W352-D387 PolarHBondContact NE1-OD2 3.09Å; R358-D387 IonicContact CZ-OD1 3.4Å; R358-D387 IonicContact CZ-OD2 2.76Å; R358-D387 IonicContact NH1-OD1 2.7Å; R358-D387 PolarHBondContact NH1-OD1 3.23Å; R358-D387 IonicContact NH1-OD2 3.69Å; R358-D387 IonicContact NH2-OD1 3.73Å; R358-D387 PolarHBondContact NH2-OD1 3.14Å; R358-D387 IonicContact NH2-OD2 3.05Å; R358-D387 PolarHBondContact NH2-OD2 3.04Å; L385-D387 VanDerWaalsContact C-N 3.32Å; L385-D387 WeakPolarHBondContact CD2-OD1 3.34Å; L385-D387 VanDerWaalsContact CG-OD1 3.27Å; L385-D387 WeakPolarHBondContact CG-OD1 3.24Å; L385-D387 PolarHBondContact O-N 3.4Å; D387-D389 PolarHBondContact O-N 2.9Å
388A91.6Very high96.6Very high6 Ų618.7 Ų18.75%0.059%0.093CC..  trans-80.798.7170.400000110.9R256 L385 N393R256-A388 PolarHBondContact NE-O 3.41Å; R256-A388 PolarHBondContact NH2-O 2.89Å; R256-A388 VanDerWaalsContact NH2-O 3.13Å; L385-A388 HydrophobicContact CB-CB 3.94Å; L385-A388 HydrophobicContact CD2-CB 3.98Å; L385-A388 HydrophobicContact CG-CB 4.26Å; L385-A388 PolarHBondContact O-N 3.44Å; A388-N393 HydrophobicContact CB-CB 4.08Å
389D91.6Very high96.5Very high4 Ų421.3 Ų21.32%0.02110%0.102CC..  trans-77150.7153.6-76.1-49.2000109.8R256 Y297 D387 S391 V392 N393R256-D389 WeakPolarHBondContact CG-OD1 3.41Å; R256-D389 IonicContact NE-OD1 2.82Å; Y297-D389 WeakPolarHBondContact OH-CB 3.15Å; Y297-D389 PolarHBondContact OH-OD1 3.22Å; Y297-D389 PolarHBondContact OH-OD2 2.87Å; D387-D389 PolarHBondContact O-N 2.9Å; D389-S391 VanDerWaalsContact C-N 3.31Å; D389-S391 PolarHBondContact O-N 2.9Å; D389-V392 HydrophobicContact CB-CB 4.19Å; D389-V392 HydrophobicContact CB-CG2 4.05Å; D389-V392 PolarHBondContact O-N 3.06Å; D389-N393 WeakPolarHBondContact O-CB 3.44Å; D389-N393 PolarHBondContact O-N 3.23Å
390W96Very high96.4Very high44 Ų4418.4 Ų18.417%0.1679%0.09CC..Hα-helixtrans-56.9-47.5-180172.392.3000111E103 P104 A300 F306 D307 A394E103-W390 HydrophobicContact CB-CE3 4.28Å; E103-W390 HydrophobicContact CG-CE3 4.39Å; E103-W390 WeakPolarHBondContact OE1-CB 3.24Å; E103-W390 PolarHBondContact OE1-N 3.46Å; P104-W390 HydrophobicContact CG-CH2 3.68Å; P104-W390 HydrophobicContact CG-CZ3 3.83Å; A300-W390 HydrophobicContact CB-CE3 4.35Å; A300-W390 HydrophobicContact CB-CH2 4.42Å; A300-W390 HydrophobicContact CB-CZ3 3.64Å; F306-W390 HydrophobicContact CB-CH2 3.43Å; F306-W390 VanDerWaalsContact CB-CH2 3.43Å; F306-W390 HydrophobicContact CB-CZ2 3.94Å; F306-W390 HydrophobicContact CB-CZ3 4.14Å; F306-W390 HydrophobicContact CG-CH2 4.38Å; D307-W390 HydrophobicContact CB-CZ2 3.88Å; D307-W390 VanDerWaalsContact CB-NE1 3.29Å; D307-W390 PolarHBondContact OD2-NE1 2.9Å; W390-A394 VanDerWaalsContact O-CB 3.3Å; W390-A394 WeakPolarHBondContact O-CB 3.39Å; W390-A394 PolarHBondContact O-N 2.81Å
391S97.4Very high96.3Very high0 Ų017.7 Ų17.70%09%0.086CC..Hα-helixtrans-61.8-47.4178.9-53.20000112.6E103 F306 D389 G395E103-S391 WeakPolarHBondContact CG-OG 3.13Å; E103-S391 WeakPolarHBondContact OE1-CB 3.47Å; E103-S391 PolarHBondContact OE1-N 2.82Å; E103-S391 PolarHBondContact OE1-OG 3.02Å; F306-S391 WeakPolarHBondContact CE1-O 3.43Å; D389-S391 VanDerWaalsContact C-N 3.31Å; D389-S391 PolarHBondContact O-N 2.9Å; S391-G395 PolarHBondContact O-N 3.47Å
392V97.3Very high96.1Very high27 Ų2717.4 Ų17.416%0.1649%0.085CC..Hα-helixtrans-72.1-39.5-1761800000110.8R293 F296 Y297 D389 S396R293-V392 HydrophobicContact CG-CG2 4.08Å; F296-V392 HydrophobicContact CB-CG2 4.39Å; F296-V392 HydrophobicContact CD2-CG1 4.3Å; Y297-V392 HydrophobicContact CD2-CG2 4.42Å; Y297-V392 HydrophobicContact CE2-CG2 4.1Å; D389-V392 HydrophobicContact CB-CB 4.19Å; D389-V392 HydrophobicContact CB-CG2 4.05Å; D389-V392 PolarHBondContact O-N 3.06Å; V392-S396 WeakPolarHBondContact O-CB 3.48Å; V392-S396 PolarHBondContact O-N 3.39Å; V392-S396 PolarHBondContact O-OG 3.48Å
393N97.6Very high96.1Very high8 Ų814.3 Ų14.34%0.0437%0.071CC..Hα-helixtrans-65.9-55.9179.9-16625.3000110.4M378 F381 E382 A388 D389 G395 S396 W397M378-N393 HydrophobicContact CG-CB 4.46Å; M378-N393 WeakPolarHBondContact CG-ND2 3.46Å; M378-N393 PolarHBondContact O-ND2 2.9Å; F381-N393 WeakPolarHBondContact CB-OD1 3.45Å; E382-N393 PolarHBondContact N-ND2 3.41Å; A388-N393 HydrophobicContact CB-CB 4.08Å; D389-N393 WeakPolarHBondContact O-CB 3.44Å; D389-N393 PolarHBondContact O-N 3.23Å; N393-G395 VanDerWaalsContact C-N 3.35Å; N393-G395 PolarHBondContact O-N 3.49Å; N393-S396 PolarHBondContact O-N 2.95Å; N393-W397 VanDerWaalsContact O-CD1 3.25Å; N393-W397 PolarHBondContact O-N 3.43Å; N393-W397 PolarHBondContact OD1-NE1 3.02Å
394A97.9Very high96Very high0 Ų012.2 Ų12.20%06%0.062CC..Hα-helixtrans-56.9-47.1177.600000112.1F306 D307 M378 W390 S396 W397 M398F306-A394 HydrophobicContact CD1-CB 3.63Å; F306-A394 HydrophobicContact CE1-CB 4Å; D307-A394 HydrophobicContact CB-CB 4.17Å; M378-A394 HydrophobicContact CE-CB 3.94Å; M378-A394 HydrophobicContact SD-CB 3.69Å; W390-A394 VanDerWaalsContact O-CB 3.3Å; W390-A394 WeakPolarHBondContact O-CB 3.39Å; W390-A394 PolarHBondContact O-N 2.81Å; A394-S396 PolarHBondContact O-N 3.42Å; A394-W397 PolarHBondContact O-N 3.19Å; A394-M398 PolarHBondContact O-N 3.48Å
395G97.3Very high95.5Very high0 Ų013.6 Ų13.60%07%0.068CC..Hα-helixtrans-61.8-41.8179.400000113F296 S391 N393 W399F296-G395 WeakPolarHBondContact CE1-O 3.35Å; S391-G395 PolarHBondContact O-N 3.47Å; N393-G395 VanDerWaalsContact C-N 3.35Å; N393-G395 PolarHBondContact O-N 3.49Å; G395-W399 VanDerWaalsContact O-CB 3.28Å; G395-W399 WeakPolarHBondContact O-CB 3.44Å; G395-W399 PolarHBondContact O-N 3.41Å
396S96.6Very high94.4Very high33 Ų3316.8 Ų16.823%0.2318%0.082CC..Hα-helixtrans-66.6-42.7176.7-61.60000112V392 N393 A394 W399 L400V392-S396 WeakPolarHBondContact O-CB 3.48Å; V392-S396 PolarHBondContact O-N 3.39Å; V392-S396 PolarHBondContact O-OG 3.48Å; N393-S396 PolarHBondContact O-N 2.95Å; A394-S396 PolarHBondContact O-N 3.42Å; S396-W399 PolarHBondContact O-N 2.96Å; S396-L400 WeakPolarHBondContact O-CB 3.44Å; S396-L400 VanDerWaalsContact O-CG 3.23Å; S396-L400 WeakPolarHBondContact O-CG 3.45Å; S396-L400 PolarHBondContact O-N 3.31Å
397W98.3Very high92.9Very high4 Ų423.1 Ų23.12%0.01511%0.112CC..Hα-helixtrans-64.7-47.5178.6-86.9101.7000112W330 A362 L365 T366 W374 G377 M378 F381 N393 A394 W399 L400 S401W330-W397 AromaticContact CH2-CH2 3.77Å; W330-W397 HydrophobicContact CH2-CH2 3.77Å; W330-W397 HydrophobicContact CH2-CZ2 4.01Å; W330-W397 AromaticContact CZ2-CH2 3.85Å; W330-W397 HydrophobicContact CZ2-CH2 3.85Å; W330-W397 HydrophobicContact CZ2-CZ2 4.39Å; A362-W397 HydrophobicContact CB-CE3 4.02Å; A362-W397 HydrophobicContact CB-CH2 3.77Å; A362-W397 HydrophobicContact CB-CZ2 4.41Å; A362-W397 HydrophobicContact CB-CZ3 3.54Å; L365-W397 HydrophobicContact CD2-CH2 3.77Å; L365-W397 HydrophobicContact CD2-CZ3 3.85Å; T366-W397 HydrophobicContact CG2-CE3 4.28Å; T366-W397 HydrophobicContact CG2-CZ3 3.99Å; W374-W397 HydrophobicContact CB-CB 4.22Å; W374-W397 HydrophobicContact CB-CE3 4.01Å; W374-W397 HydrophobicContact CE3-CB 3.85Å; G377-W397 VanDerWaalsContact CA-CH2 3.42Å; G377-W397 VanDerWaalsContact CA-CZ2 3.44Å; G377-W397 VanDerWaalsContact O-CZ2 3.26Å; G377-W397 WeakPolarHBondContact O-CZ2 3.44Å; M378-W397 HydrophobicContact CB-CB 4.49Å; M378-W397 HydrophobicContact CB-CG 4.09Å; F381-W397 AromaticContact CD1-CZ2 3.7Å; F381-W397 HydrophobicContact CD1-CZ2 3.7Å; F381-W397 HydrophobicContact CD2-CZ2 4.11Å; F381-W397 AromaticContact CD2-NE1 3.58Å; F381-W397 AromaticContact CE1-CZ2 3.76Å; F381-W397 HydrophobicContact CE1-CZ2 3.76Å; F381-W397 HydrophobicContact CE2-CZ2 4.16Å; F381-W397 AromaticContact CG-CZ2 3.89Å; F381-W397 HydrophobicContact CG-CZ2 3.89Å; F381-W397 AromaticContact CG-NE1 3.62Å; F381-W397 AromaticContact CZ-CZ2 3.99Å; F381-W397 HydrophobicContact CZ-CZ2 3.99Å; N393-W397 VanDerWaalsContact O-CD1 3.25Å; N393-W397 PolarHBondContact O-N 3.43Å; N393-W397 PolarHBondContact OD1-NE1 3.02Å; A394-W397 PolarHBondContact O-N 3.19Å; W397-W399 VanDerWaalsContact C-N 3.25Å; W397-W399 PolarHBondContact O-N 3.2Å; W397-L400 PolarHBondContact O-N 2.99Å; W397-S401 WeakPolarHBondContact O-CB 3.3Å; W397-S401 PolarHBondContact O-N 3.45Å; W397-S401 PolarHBondContact O-OG 3.11Å
398M97.4Very high91.7Very high0 Ų026.5 Ų26.50%013%0.127CC..Hα-helixtrans-58.2-38173.2-75.7-170.9-76.500112.4F306 N312 I314 C315 W374 A394 S401 C402 S403 S404 F405F306-M398 HydrophobicContact CD1-CE 3.73Å; F306-M398 HydrophobicContact CD2-CE 3.84Å; F306-M398 HydrophobicContact CE1-CE 3.54Å; F306-M398 HydrophobicContact CE2-CE 3.68Å; F306-M398 HydrophobicContact CG-CE 3.87Å; F306-M398 HydrophobicContact CZ-CE 3.51Å; F306-M398 WeakPolarHBondContact O-CE 3.23Å; N312-M398 PolarHBondContact ND2-SD 3.01Å; I314-M398 HydrophobicContact CD1-CE 4.34Å; C315-M398 HydrophobicContact CB-SD 4.18Å; W374-M398 HydrophobicContact CD2-CG 4.11Å; W374-M398 HydrophobicContact CE3-CG 4.13Å; W374-M398 HydrophobicContact CH2-CG 3.59Å; W374-M398 HydrophobicContact CH2-SD 4.09Å; W374-M398 HydrophobicContact CZ2-CG 3.56Å; W374-M398 HydrophobicContact CZ2-SD 4.15Å; W374-M398 HydrophobicContact CZ3-CG 3.89Å; A394-M398 PolarHBondContact O-N 3.48Å; M398-S401 PolarHBondContact O-OG 3.19Å; M398-C402 PolarHBondContact O-N 2.74Å; M398-S403 PolarHBondContact O-N 3.03Å; M398-S404 PolarHBondContact O-N 3.04Å; M398-F405 HydrophobicContact CB-CE2 4.5Å; M398-F405 HydrophobicContact CE-CE2 4.14Å
399W95.1Very high90.8Very high63 Ų6326.7 Ų26.724%0.23913%0.127CC..Hα-helixtrans-67.5-47.4178.1-179.458.6000112.2H359 G395 S396 W397 C402 S404 F405 F406H359-W399 AromaticContact CE1-CH2 3.84Å; H359-W399 AromaticContact CE1-CZ3 3.64Å; H359-W399 AromaticContact NE2-CZ3 3.58Å; G395-W399 VanDerWaalsContact O-CB 3.28Å; G395-W399 WeakPolarHBondContact O-CB 3.44Å; G395-W399 PolarHBondContact O-N 3.41Å; S396-W399 PolarHBondContact O-N 2.96Å; W397-W399 VanDerWaalsContact C-N 3.25Å; W397-W399 PolarHBondContact O-N 3.2Å; W399-C402 PolarHBondContact O-N 3.4Å; W399-S404 WeakPolarHBondContact CA-O 3.38Å; W399-F405 HydrophobicContact CB-CD2 4.36Å; W399-F406 HydrophobicContact CG-CB 4.47Å; W399-F406 VanDerWaalsContact NE1-CB 3.28Å; W399-F406 AromaticContact NE1-CG 3.74Å
400L94.7Very high89.8Confident22 Ų2232 Ų3212%0.11515%0.15CC..Hα-helixtrans-72.1-33.6-175.8-68.4172000113H359 A362 R367 S396 W397 C402H359-L400 HydrophobicContact CB-CD2 4.23Å; H359-L400 VanDerWaalsContact CD2-CD2 3.44Å; H359-L400 WeakPolarHBondContact CD2-CD2 3.29Å; A362-L400 HydrophobicContact CB-CB 4.07Å; A362-L400 HydrophobicContact CB-CD1 3.84Å; R367-L400 PolarHBondContact NE-O 2.86Å; S396-L400 WeakPolarHBondContact O-CB 3.44Å; S396-L400 VanDerWaalsContact O-CG 3.23Å; S396-L400 WeakPolarHBondContact O-CG 3.45Å; S396-L400 PolarHBondContact O-N 3.31Å; W397-L400 PolarHBondContact O-N 2.99Å; L400-C402 PolarHBondContact O-N 3.03Å
401S95.8Very high89Confident0 Ų035.9 Ų35.90%017%0.169CC..THydrogen-bonded Turntrans-76.5-7175.366.40000113.5W397 M398 S403W397-S401 WeakPolarHBondContact O-CB 3.3Å; W397-S401 PolarHBondContact O-N 3.45Å; W397-S401 PolarHBondContact O-OG 3.11Å; M398-S401 PolarHBondContact O-OG 3.19Å; S401-S403 PolarHBondContact O-N 2.88Å; S401-S403 VanDerWaalsContact OG-CB 3.3Å; S401-S403 WeakPolarHBondContact OG-CB 3.36Å; S401-S403 PolarHBondContact OG-N 3.47Å; S401-S403 PolarHBondContact OG-OG 2.92Å
402C94.4Very high88.4Confident1 Ų137.6 Ų37.61%0.00718%0.181CC..THydrogen-bonded Turntrans59.233.8-168.6-57.20000112.6M398 W399 L400 F409 Y488M398-C402 PolarHBondContact O-N 2.74Å; W399-C402 PolarHBondContact O-N 3.4Å; L400-C402 PolarHBondContact O-N 3.03Å; C402-F409 HydrophobicContact CB-CB 4.18Å; C402-Y488 PolarHBondContact O-OH 3.04Å
403S94.3Very high88Confident0 Ų039.4 Ų39.40%019%0.185CC..SBendtrans-88.2-21.1171.7-58.20000112.2V316 W374 M398 S401V316-S403 WeakPolarHBondContact CG2-O 3.34Å; V316-S403 PolarHBondContact N-O 3.22Å; W374-S403 PolarHBondContact NE1-OG 2.95Å; M398-S403 PolarHBondContact O-N 3.03Å; S401-S403 PolarHBondContact O-N 2.88Å; S401-S403 VanDerWaalsContact OG-CB 3.3Å; S401-S403 WeakPolarHBondContact OG-CB 3.36Å; S401-S403 PolarHBondContact OG-N 3.47Å; S401-S403 PolarHBondContact OG-OG 2.92Å
404S92.6Very high87.9Confident14 Ų1440.9 Ų40.910%0.09820%0.196CC..SBendtrans-158172.5171.7-158.40000112.1I314 M398 W399 F406I314-S404 VanDerWaalsContact O-CB 3.26Å; I314-S404 WeakPolarHBondContact O-CB 3.36Å; I314-S404 PolarHBondContact O-OG 3.38Å; M398-S404 PolarHBondContact O-N 3.04Å; W399-S404 WeakPolarHBondContact CA-O 3.38Å; S404-F406 PolarHBondContact O-N 2.76Å
405F87.4Confident87.8Confident39 Ų3941 Ų4117%0.17120%0.197CC..SBendtrans60.3-20.4174.6-48.9-67.1000117.6L148 F295 F296 A299 F306 I314 M398 W399L148-F405 HydrophobicContact CD2-CE1 4.19Å; L148-F405 WeakPolarHBondContact O-CD1 3.11Å; F295-F405 AromaticContact CE1-CD1 3.92Å; F295-F405 HydrophobicContact CE1-CD1 3.92Å; F295-F405 HydrophobicContact CE1-CE1 4.1Å; F295-F405 HydrophobicContact CE1-CG 4.27Å; F295-F405 AromaticContact CZ-CD1 3.57Å; F295-F405 HydrophobicContact CZ-CD1 3.57Å; F295-F405 AromaticContact CZ-CE1 3.78Å; F295-F405 HydrophobicContact CZ-CE1 3.78Å; F295-F405 HydrophobicContact CZ-CG 4.3Å; F296-F405 HydrophobicContact CD1-CE2 4.44Å; F296-F405 HydrophobicContact CE1-CD2 4.18Å; F296-F405 HydrophobicContact CE1-CE2 4.1Å; A299-F405 HydrophobicContact CB-CE1 4.18Å; A299-F405 HydrophobicContact CB-CZ 4.01Å; F306-F405 HydrophobicContact CE2-CE2 4.45Å; F306-F405 AromaticContact CE2-CZ 3.88Å; F306-F405 HydrophobicContact CE2-CZ 3.88Å; F306-F405 HydrophobicContact CZ-CE2 4.08Å; F306-F405 AromaticContact CZ-CZ 3.8Å; F306-F405 HydrophobicContact CZ-CZ 3.8Å; I314-F405 HydrophobicContact CD1-CE1 4.08Å; I314-F405 HydrophobicContact CD1-CE2 4.23Å; I314-F405 HydrophobicContact CD1-CZ 3.53Å; M398-F405 HydrophobicContact CB-CE2 4.5Å; M398-F405 HydrophobicContact CE-CE2 4.14Å; W399-F405 HydrophobicContact CB-CD2 4.36Å
406F74.9Confident87.8Confident69 Ų6942.1 Ų42.130%0.30320%0.203SC..  trans-150.6145.1-175.9-172.2-105.4000111.3W399 S404 Q408W399-F406 HydrophobicContact CG-CB 4.47Å; W399-F406 VanDerWaalsContact NE1-CB 3.28Å; W399-F406 AromaticContact NE1-CG 3.74Å; S404-F406 PolarHBondContact O-N 2.76Å; F406-Q408 HydrophobicContact CD1-CB 4.44Å; F406-Q408 HydrophobicContact CE1-CB 3.57Å; F406-Q408 HydrophobicContact CE1-CG 4.31Å; F406-Q408 WeakPolarHBondContact CE1-O 3.13Å; F406-Q408 HydrophobicContact CE2-CB 4.22Å; F406-Q408 HydrophobicContact CE2-CG 4.08Å; F406-Q408 HydrophobicContact CZ-CB 3.46Å; F406-Q408 VanDerWaalsContact CZ-CB 3.46Å; F406-Q408 HydrophobicContact CZ-CG 3.8Å
407Q65.2Low87.8Confident137 Ų13741.2 Ų41.264%0.6420%0.199SC*.  trans-1291.2-169.9-61.9178.9-7.900113.3F409 Y488Q407-F409 VanDerWaalsContact O-CD1 3.24Å; Q407-F409 WeakPolarHBondContact O-CD1 3.47Å; Q407-F409 PolarHBondContact O-N 3.18Å; Q407-F409 VanDerWaalsContact O-N 3.1Å; Q407-Y488 HydrophobicContact CB-CE1 4.27Å; Q407-Y488 HydrophobicContact CG-CE1 3.96Å
408Q71.9Confident87.6Confident86 Ų8642.1 Ų42.140%0.40220%0.203SC..  trans-8874.4179.2-50.9176.8-3700110.9F406 F410F406-Q408 HydrophobicContact CD1-CB 4.44Å; F406-Q408 HydrophobicContact CE1-CB 3.57Å; F406-Q408 HydrophobicContact CE1-CG 4.31Å; F406-Q408 WeakPolarHBondContact CE1-O 3.13Å; F406-Q408 HydrophobicContact CE2-CB 4.22Å; F406-Q408 HydrophobicContact CE2-CG 4.08Å; F406-Q408 HydrophobicContact CZ-CB 3.46Å; F406-Q408 VanDerWaalsContact CZ-CB 3.46Å; F406-Q408 HydrophobicContact CZ-CG 3.8Å; Q408-F410 HydrophobicContact CB-CD2 4.4Å; Q408-F410 PolarHBondContact O-N 3.25Å
409F73.6Confident87.4Confident10 Ų1042.1 Ų42.14%0.04420%0.203CC..THydrogen-bonded Turntrans-73.8-9.1-177.356.9-94.8000114.5R367 C402 Q407 H411 M484 K485 Y488R367-F409 PolarHBondContact NH1-O 3.22Å; C402-F409 HydrophobicContact CB-CB 4.18Å; Q407-F409 VanDerWaalsContact O-CD1 3.24Å; Q407-F409 WeakPolarHBondContact O-CD1 3.47Å; Q407-F409 PolarHBondContact O-N 3.18Å; Q407-F409 VanDerWaalsContact O-N 3.1Å; F409-H411 PolarHBondContact O-N 2.99Å; F409-M484 HydrophobicContact CB-CB 4.2Å; F409-M484 HydrophobicContact CB-CG 4.27Å; F409-M484 HydrophobicContact CD1-CB 4.39Å; F409-M484 HydrophobicContact CD2-CB 3.43Å; F409-M484 VanDerWaalsContact CD2-CB 3.43Å; F409-M484 HydrophobicContact CD2-CG 4.32Å; F409-M484 HydrophobicContact CE2-CB 3.82Å; F409-M484 HydrophobicContact CG-CB 3.75Å; F409-M484 HydrophobicContact CG-CG 4.36Å; F409-M484 HydrophobicContact CZ-CB 4.46Å; F409-K485 HydrophobicContact CE2-CB 3.98Å; F409-K485 HydrophobicContact CZ-CB 4.01Å; F409-Y488 AromaticContact CD1-CD2 3.43Å; F409-Y488 HydrophobicContact CD1-CD2 3.43Å; F409-Y488 VanDerWaalsContact CD1-CD2 3.43Å; F409-Y488 AromaticContact CD1-CE2 3.53Å; F409-Y488 HydrophobicContact CD1-CE2 3.53Å; F409-Y488 HydrophobicContact CD1-CG 4.34Å; F409-Y488 AromaticContact CE1-CD2 3.38Å; F409-Y488 HydrophobicContact CE1-CD2 3.38Å; F409-Y488 AromaticContact CE1-CE2 3.98Å; F409-Y488 HydrophobicContact CE1-CE2 3.98Å; F409-Y488 AromaticContact CE1-CG 3.93Å; F409-Y488 HydrophobicContact CE1-CG 3.93Å; F409-Y488 HydrophobicContact CG-CD2 4.44Å; F409-Y488 HydrophobicContact CG-CE2 4.44Å; F409-Y488 HydrophobicContact CZ-CD2 4.34Å
410F71.3Confident87.4Confident115 Ų11543.8 Ų43.850%0.50421%0.21SC..THydrogen-bonded Turntrans-69.9-17.1-173.3-37.3-79.3000114.3Q408Q408-F410 HydrophobicContact CB-CD2 4.4Å; Q408-F410 PolarHBondContact O-N 3.25Å
411H77.8Confident87.4Confident126 Ų12650.3 Ų50.358%0.58323%0.233SC*.  trans-100.289.6-176.4-67.924.1000109.2R367 F409R367-H411 PolarHBondContact NH1-O 3.2Å; R367-H411 PolarHBondContact NH2-O 2.57Å; F409-H411 PolarHBondContact O-N 2.99Å
412C84.5Confident87.3Confident35 Ų3551.2 Ų51.224%0.23624%0.238CC..PPolyproline II helixtrans-89.6140.7172.4-64.50000110.5R367 C414R367-C412 PolarHBondContact NH1-SG 3.33Å; C412-C414 PolarHBondContact O-N 3.33Å
413Y89.5Confident87.3Confident65 Ų6551.3 Ų51.326%0.25524%0.239SC..PPolyproline II helixtrans-78.8121.4175.8-72.3-91.2000109.6H359 C363 P415 F418H359-Y413 HydrophobicContact CB-CD2 4.37Å; H359-Y413 HydrophobicContact CB-CE2 3.77Å; H359-Y413 PolarHBondContact ND1-OH 3.26Å; C363-Y413 HydrophobicContact CB-CD2 4.04Å; C363-Y413 PolarHBondContact SG-N 3.18Å; C363-Y413 VanDerWaalsContact SG-N 3.4Å; Y413-P415 WeakPolarHBondContact O-CD 3.45Å; Y413-F418 HydrophobicContact CD1-CD1 4.08Å; Y413-F418 AromaticContact CD1-CD2 3.76Å; Y413-F418 HydrophobicContact CD1-CD2 3.76Å; Y413-F418 HydrophobicContact CD1-CE1 4.2Å; Y413-F418 AromaticContact CD1-CE2 3.9Å; Y413-F418 HydrophobicContact CD1-CE2 3.9Å; Y413-F418 AromaticContact CD1-CG 3.86Å; Y413-F418 HydrophobicContact CD1-CG 3.86Å; Y413-F418 HydrophobicContact CD1-CZ 4.12Å; Y413-F418 HydrophobicContact CE1-CD2 4.12Å; Y413-F418 HydrophobicContact CE1-CE1 4.39Å; Y413-F418 AromaticContact CE1-CE2 3.79Å; Y413-F418 HydrophobicContact CE1-CE2 3.79Å; Y413-F418 AromaticContact CE1-CZ 3.95Å; Y413-F418 HydrophobicContact CE1-CZ 3.95Å
414C95.1Very high87.4Confident39 Ų3955.2 Ų55.226%0.26426%0.264SS..PPolyproline II helixtrans-68.2120.1173.1-179.50000110.1C412 V416 G417 F418C412-C414 PolarHBondContact O-N 3.33Å; C414-V416 PolarHBondContact O-N 2.55Å; C414-V416 VanDerWaalsContact O-N 3.12Å; C414-G417 PolarHBondContact O-N 3.09Å; C414-G417 PolarHBondContact SG-N 3.18Å; C414-F418 WeakPolarHBondContact O-CB 3.19Å; C414-F418 PolarHBondContact O-N 3.04Å
415P96.4Very high87.6Confident4 Ų459 Ų593%0.02628%0.283CS..THydrogen-bonded Turntrans-68.5-11.2-175.929-35.3000113.2F337 W339 I340 F364 Y413 H473F337-P415 HydrophobicContact CB-CB 4.4Å; F337-P415 HydrophobicContact CD1-CB 3.86Å; F337-P415 HydrophobicContact CD1-CG 3.7Å; F337-P415 HydrophobicContact CE1-CB 4.45Å; F337-P415 HydrophobicContact CE1-CG 3.78Å; F337-P415 HydrophobicContact CG-CB 4.24Å; F337-P415 HydrophobicContact CG-CG 4.38Å; W339-P415 WeakPolarHBondContact CB-O 3.49Å; I340-P415 HydrophobicContact CD1-CB 4.14Å; I340-P415 HydrophobicContact CG1-CB 3.83Å; F364-P415 HydrophobicContact CD2-CB 3.91Å; F364-P415 HydrophobicContact CD2-CG 4.08Å; F364-P415 HydrophobicContact CE2-CB 4.15Å; F364-P415 HydrophobicContact CE2-CG 4.12Å; Y413-P415 WeakPolarHBondContact O-CD 3.45Å; P415-H473 WeakPolarHBondContact CD-CE1 3.48Å; P415-H473 VanDerWaalsContact CD-ND1 3.28Å; P415-H473 WeakPolarHBondContact CD-ND1 3.27Å; P415-H473 HydrophobicContact CG-CB 4.24Å
416V97.5Very high88Confident22 Ų2257.2 Ų57.213%0.13328%0.275CS..THydrogen-bonded Turntrans-100.7-57.1172.7179.20000110.3F337 C414 F418 R420 D446 W448F337-V416 HydrophobicContact CD1-CG2 4.13Å; F337-V416 HydrophobicContact CE1-CG2 4.29Å; C414-V416 PolarHBondContact O-N 2.55Å; C414-V416 VanDerWaalsContact O-N 3.12Å; V416-F418 PolarHBondContact O-N 3.32Å; V416-R420 PolarHBondContact O-N 2.92Å; V416-D446 HydrophobicContact CG1-CB 3.99Å; V416-D446 HydrophobicContact CG2-CB 4.47Å; V416-W448 HydrophobicContact CG2-CH2 3.74Å; V416-W448 HydrophobicContact CG2-CZ2 3.86Å
417G95.3Very high89.1Confident14 Ų1458.2 Ų58.214%0.14428%0.284CS..Hα-helixtrans-68.6-30.2-170.800000114C414 R421C414-G417 PolarHBondContact O-N 3.09Å; C414-G417 PolarHBondContact SG-N 3.18Å; G417-R421 WeakPolarHBondContact O-CG 3.3Å; G417-R421 PolarHBondContact O-N 3.14Å; G417-R421 PolarHBondContact O-NH1 2.98Å
418F94.3Very high90.6Very high24 Ų2452 Ų5211%0.10525%0.254CS..Hα-helixtrans-67.9-52.5179.1-174.6-117000111.4W339 L356 A360 Y413 C414 V416 R420 R421 T422W339-F418 AromaticContact CE2-CD1 3.92Å; W339-F418 AromaticContact CZ2-CD1 3.78Å; W339-F418 HydrophobicContact CZ2-CD1 3.78Å; W339-F418 AromaticContact CZ2-CE1 3.9Å; W339-F418 HydrophobicContact CZ2-CE1 3.9Å; W339-F418 AromaticContact NE1-CD1 3.68Å; L356-F418 HydrophobicContact CB-CE1 4.38Å; L356-F418 HydrophobicContact CB-CZ 4.05Å; A360-F418 HydrophobicContact CB-CD1 4.17Å; A360-F418 HydrophobicContact CB-CE1 4.37Å; Y413-F418 HydrophobicContact CD1-CD1 4.08Å; Y413-F418 AromaticContact CD1-CD2 3.76Å; Y413-F418 HydrophobicContact CD1-CD2 3.76Å; Y413-F418 HydrophobicContact CD1-CE1 4.2Å; Y413-F418 AromaticContact CD1-CE2 3.9Å; Y413-F418 HydrophobicContact CD1-CE2 3.9Å; Y413-F418 AromaticContact CD1-CG 3.86Å; Y413-F418 HydrophobicContact CD1-CG 3.86Å; Y413-F418 HydrophobicContact CD1-CZ 4.12Å; Y413-F418 HydrophobicContact CE1-CD2 4.12Å; Y413-F418 HydrophobicContact CE1-CE1 4.39Å; Y413-F418 AromaticContact CE1-CE2 3.79Å; Y413-F418 HydrophobicContact CE1-CE2 3.79Å; Y413-F418 AromaticContact CE1-CZ 3.95Å; Y413-F418 HydrophobicContact CE1-CZ 3.95Å; C414-F418 WeakPolarHBondContact O-CB 3.19Å; C414-F418 PolarHBondContact O-N 3.04Å; V416-F418 PolarHBondContact O-N 3.32Å; F418-R420 VanDerWaalsContact C-N 3.34Å; F418-R420 PolarHBondContact O-N 3.29Å; F418-R421 PolarHBondContact O-N 3.34Å; F418-R421 VanDerWaalsContact O-N 3.17Å; F418-T422 PolarHBondContact O-N 3.07Å; F418-T422 VanDerWaalsContact O-N 3.1Å; F418-T422 PolarHBondContact O-OG1 3.14Å
419G94.1Very high91.9Very high0 Ų047.9 Ų47.90%024%0.235CC..Hα-helixtrans-56.3-46.8175.800000112.2R421 T422 D423 Y445G419-R421 VanDerWaalsContact C-N 3.27Å; G419-R421 PolarHBondContact O-N 2.85Å; G419-T422 PolarHBondContact O-N 3.08Å; G419-D423 PolarHBondContact O-N 3.26Å; G419-Y445 VanDerWaalsContact CA-CE1 3.45Å; G419-Y445 PolarHBondContact O-OH 3.25Å
420R95.6Very high93Very high98 Ų9849.6 Ų49.637%0.3724%0.241SC..Hα-helixtrans-58.1-34.8178.3-169.4-176.7-67.8168-2.7113.5V416 F418 P424 Y445 D446V416-R420 PolarHBondContact O-N 2.92Å; F418-R420 VanDerWaalsContact C-N 3.34Å; F418-R420 PolarHBondContact O-N 3.29Å; R420-P424 VanDerWaalsContact O-CA 3.26Å; R420-P424 WeakPolarHBondContact O-CA 3.4Å; R420-P424 WeakPolarHBondContact O-CG 3.26Å; R420-Y445 HydrophobicContact CB-CD2 3.86Å; R420-Y445 HydrophobicContact CB-CE2 4.15Å; R420-Y445 HydrophobicContact CB-CG 4.15Å; R420-Y445 HydrophobicContact CG-CD2 4.18Å; R420-D446 IonicContact NH2-OD1 2.78Å; R420-D446 PolarHBondContact NH2-OD1 3.1Å; R420-D446 IonicContact NH2-OD2 3.17Å; R420-D446 PolarHBondContact NH2-OD2 3.05Å
421R94.3Very high94.3Very high159 Ų15950.9 Ų50.960%0.624%0.243SC*.Hα-helixtrans-75.7-32.2175.5-74.3-172.9-61.8-92.53.4112.7G417 F418 G419G417-R421 WeakPolarHBondContact O-CG 3.3Å; G417-R421 PolarHBondContact O-N 3.14Å; G417-R421 PolarHBondContact O-NH1 2.98Å; F418-R421 PolarHBondContact O-N 3.34Å; F418-R421 VanDerWaalsContact O-N 3.17Å; G419-R421 VanDerWaalsContact C-N 3.27Å; G419-R421 PolarHBondContact O-N 2.85Å
422T92.8Very high95.3Very high18 Ų1845.2 Ų45.211%0.1122%0.216CC..Hα-helixtrans-78.4-40.8-178.5-63.30000112.6M239 A241 L244 W339 F418 G419M239-T422 HydrophobicContact CE-CG2 3.46Å; M239-T422 VanDerWaalsContact CE-CG2 3.46Å; M239-T422 HydrophobicContact CG-CG2 4.3Å; M239-T422 HydrophobicContact SD-CG2 3.7Å; A241-T422 PolarHBondContact N-O 2.76Å; L244-T422 HydrophobicContact CD1-CG2 3.86Å; L244-T422 HydrophobicContact CD2-CG2 4.42Å; L244-T422 HydrophobicContact CG-CG2 4.22Å; W339-T422 HydrophobicContact CH2-CG2 4.37Å; F418-T422 PolarHBondContact O-N 3.07Å; F418-T422 VanDerWaalsContact O-N 3.1Å; F418-T422 PolarHBondContact O-OG1 3.14Å; G419-T422 PolarHBondContact O-N 3.08Å
423D95.6Very high95.9Very high4 Ų444.3 Ų44.32%0.02121%0.209CC..  trans-140.285.4179.1173.811.4000109.8A241 G419 N425 G426 D427 Y428 Y445A241-D423 HydrophobicContact CB-CB 3.7Å; G419-D423 PolarHBondContact O-N 3.26Å; D423-N425 PolarHBondContact O-N 3.41Å; D423-N425 VanDerWaalsContact O-N 3.13Å; D423-N425 PolarHBondContact OD1-N 3.47Å; D423-G426 PolarHBondContact O-N 3.14Å; D423-G426 VanDerWaalsContact O-N 3.09Å; D423-G426 PolarHBondContact OD1-N 3.18Å; D423-D427 PolarHBondContact OD2-N 2.92Å; D423-Y428 WeakPolarHBondContact OD2-CB 3.37Å; D423-Y428 PolarHBondContact OD2-N 3.32Å; D423-Y445 WeakPolarHBondContact CB-OH 3.39Å; D423-Y445 WeakPolarHBondContact O-CE2 3.2Å; D423-Y445 VanDerWaalsContact O-CZ 3.26Å; D423-Y445 PolarHBondContact O-OH 3.31Å
424P95.9Very high96.3Very high81 Ų8144.7 Ų44.753%0.52622%0.22SC..THydrogen-bonded Turntrans-58.3-27.4-175.6-27.335.4000115.3R420R420-P424 VanDerWaalsContact O-CA 3.26Å; R420-P424 WeakPolarHBondContact O-CA 3.4Å; R420-P424 WeakPolarHBondContact O-CG 3.26Å
425N96Very high96.5Very high95 Ų9546.6 Ų46.651%0.50823%0.226SC..THydrogen-bonded Turntrans-83.1-21.2-179.2-68.4-21.6000112.9D423 R430D423-N425 PolarHBondContact O-N 3.41Å; D423-N425 VanDerWaalsContact O-N 3.13Å; D423-N425 PolarHBondContact OD1-N 3.47Å; N425-R430 PolarHBondContact O-NH2 2.7Å
426G96.7Very high96.5Very high0 Ų046.4 Ų46.40%023%0.225CC..  trans72.728.3-176.600000113.1D423 Y428 I429 R430D423-G426 PolarHBondContact O-N 3.14Å; D423-G426 VanDerWaalsContact O-N 3.09Å; D423-G426 PolarHBondContact OD1-N 3.18Å; G426-Y428 PolarHBondContact O-N 3.13Å; G426-I429 WeakPolarHBondContact O-CB 3.27Å; G426-I429 PolarHBondContact O-N 3.28Å; G426-I429 VanDerWaalsContact O-N 3.09Å; G426-R430 WeakPolarHBondContact O-CG 3.28Å; G426-R430 PolarHBondContact O-N 2.68Å
427D97.2Very high96.5Very high90 Ų9052.7 Ų52.748%0.48125%0.246SC..Hα-helixtrans-61.1-35.5179.1-65-31.5000111.5D423 R430 R431D423-D427 PolarHBondContact OD2-N 2.92Å; D427-R430 PolarHBondContact O-N 2.94Å; D427-R431 WeakPolarHBondContact O-CB 3.43Å; D427-R431 PolarHBondContact O-N 3.28Å
428Y97.9Very high96.6Very high6 Ų654.2 Ų54.22%0.02426%0.262CS..Hα-helixtrans-59.5-45.4171.8-179.1-100.4000112L244 L245 W339 A342 I343 Q346 D423 G426 R431 Y432L244-Y428 HydrophobicContact CB-CD2 3.74Å; L244-Y428 HydrophobicContact CB-CE2 3.72Å; L244-Y428 HydrophobicContact CD1-CD1 4.2Å; L244-Y428 HydrophobicContact CD1-CD2 3.88Å; L244-Y428 HydrophobicContact CD1-CE2 4.32Å; L244-Y428 HydrophobicContact CD1-CG 3.8Å; L244-Y428 HydrophobicContact CG-CD2 4.45Å; L245-Y428 HydrophobicContact CD2-CD2 4.14Å; L245-Y428 HydrophobicContact CD2-CE2 4.45Å; W339-Y428 HydrophobicContact CE3-CD1 4.09Å; W339-Y428 HydrophobicContact CE3-CE1 4.32Å; W339-Y428 AromaticContact CZ3-CD1 3.69Å; W339-Y428 HydrophobicContact CZ3-CD1 3.69Å; W339-Y428 AromaticContact CZ3-CE1 3.97Å; W339-Y428 HydrophobicContact CZ3-CE1 3.97Å; W339-Y428 HydrophobicContact CZ3-CG 4.49Å; A342-Y428 HydrophobicContact CB-CD1 3.97Å; A342-Y428 HydrophobicContact CB-CE1 3.65Å; I343-Y428 WeakPolarHBondContact CA-OH 3.37Å; I343-Y428 HydrophobicContact CG1-CE1 3.98Å; Q346-Y428 VanDerWaalsContact OE1-CE2 3.3Å; Q346-Y428 PolarHBondContact OE1-OH 3.49Å; D423-Y428 WeakPolarHBondContact OD2-CB 3.37Å; D423-Y428 PolarHBondContact OD2-N 3.32Å; G426-Y428 PolarHBondContact O-N 3.13Å; Y428-R431 PolarHBondContact O-N 3.3Å; Y428-Y432 AromaticContact CD2-CD2 3.79Å; Y428-Y432 HydrophobicContact CD2-CD2 3.79Å; Y428-Y432 AromaticContact CD2-CE2 3.62Å; Y428-Y432 HydrophobicContact CD2-CE2 3.62Å; Y428-Y432 HydrophobicContact CE1-CD2 4.31Å; Y428-Y432 AromaticContact CE2-CD2 3.53Å; Y428-Y432 HydrophobicContact CE2-CD2 3.53Å; Y428-Y432 AromaticContact CE2-CE2 3.27Å; Y428-Y432 HydrophobicContact CE2-CE2 3.27Å; Y428-Y432 HydrophobicContact CG-CD2 4.29Å; Y428-Y432 AromaticContact CZ-CD2 3.81Å; Y428-Y432 AromaticContact CZ-CE2 3.96Å; Y428-Y432 WeakPolarHBondContact O-CD2 3.23Å; Y428-Y432 PolarHBondContact O-N 3.5Å
429I98.3Very high96.8Very high0 Ų053.1 Ų53.10%026%0.257CS..Hα-helixtrans-63.4-45.3175.6-70.2168000110.4P338 A342 G426 R431 Y432 L433 L436 I444 Y445P338-I429 HydrophobicContact CB-CD1 3.71Å; P338-I429 HydrophobicContact CB-CG1 4.18Å; P338-I429 HydrophobicContact CB-CG2 3.9Å; A342-I429 HydrophobicContact CB-CG1 4.26Å; G426-I429 WeakPolarHBondContact O-CB 3.27Å; G426-I429 PolarHBondContact O-N 3.28Å; G426-I429 VanDerWaalsContact O-N 3.09Å; I429-R431 PolarHBondContact O-N 2.89Å; I429-Y432 PolarHBondContact O-N 3.39Å; I429-L433 HydrophobicContact CG2-CB 4.32Å; I429-L433 HydrophobicContact CG2-CD1 4.29Å; I429-L433 CarbonylContact O-C 3.19Å; I429-L433 WeakPolarHBondContact O-CA 3.24Å; I429-L433 WeakPolarHBondContact O-CB 3.44Å; I429-L433 PolarHBondContact O-N 2.96Å; I429-L436 HydrophobicContact CG2-CB 4.32Å; I429-L436 HydrophobicContact CG2-CD1 4.05Å; I429-I444 HydrophobicContact CB-CG1 4.02Å; I429-I444 HydrophobicContact CD1-CG1 4.21Å; I429-I444 HydrophobicContact CG2-CD1 3.82Å; I429-I444 HydrophobicContact CG2-CG1 3.77Å; I429-Y445 HydrophobicContact CD1-CD1 3.38Å; I429-Y445 HydrophobicContact CD1-CD2 4.38Å; I429-Y445 HydrophobicContact CD1-CE1 3.2Å; I429-Y445 HydrophobicContact CD1-CE2 4.26Å; I429-Y445 HydrophobicContact CD1-CG 3.96Å; I429-Y445 HydrophobicContact CG1-CE1 4.21Å
430R98.3Very high97Very high47 Ų4756 Ų5618%0.17728%0.276CS..Hα-helixtrans-62.9-29.5-179.4-63.8175.7-162.3-68.3-12.6113.1N425 G426 D427 R437 F439 I444N425-R430 PolarHBondContact O-NH2 2.7Å; G426-R430 WeakPolarHBondContact O-CG 3.28Å; G426-R430 PolarHBondContact O-N 2.68Å; D427-R430 PolarHBondContact O-N 2.94Å; R430-R437 HydrophobicContact CB-CG 4.37Å; R430-R437 PolarHBondContact NH1-O 3.47Å; R430-F439 PolarHBondContact NH1-O 2.9Å; R430-F439 PolarHBondContact NH2-O 3.21Å; R430-I444 HydrophobicContact CG-CD1 4.36Å
431R97.3Very high97.1Very high142 Ų14253.1 Ų53.154%0.53627%0.273SS..Hα-helixtrans-70.7-54177.1-179.6176.5177.71270.3111.2D427 Y428 I429D427-R431 WeakPolarHBondContact O-CB 3.43Å; D427-R431 PolarHBondContact O-N 3.28Å; Y428-R431 PolarHBondContact O-N 3.3Å; I429-R431 PolarHBondContact O-N 2.89Å
432Y98.2Very high97.3Very high7 Ų752.4 Ų52.43%0.02727%0.274CS..Hα-helixtrans-89.8-21.3-172.8-67.2-72.1000114L245 T345 Q346 E350 Y428 I429 P434L245-Y432 HydrophobicContact CD2-CE2 3.99Å; T345-Y432 WeakPolarHBondContact CG2-O 3.38Å; Q346-Y432 HydrophobicContact CB-CD1 3.83Å; Q346-Y432 HydrophobicContact CB-CD2 4.24Å; Q346-Y432 HydrophobicContact CB-CE1 3.65Å; Q346-Y432 HydrophobicContact CB-CE2 4.09Å; Q346-Y432 HydrophobicContact CB-CG 4.13Å; Q346-Y432 HydrophobicContact CG-CD1 4.39Å; Q346-Y432 HydrophobicContact CG-CE1 3.69Å; Q346-Y432 HydrophobicContact CG-CE2 4.12Å; Q346-Y432 PolarHBondContact NE2-OH 3.07Å; E350-Y432 VanDerWaalsContact CD-OH 3.23Å; E350-Y432 VanDerWaalsContact OE1-CE1 3.31Å; E350-Y432 WeakPolarHBondContact OE1-CE1 3.4Å; E350-Y432 PolarHBondContact OE1-OH 2.95Å; E350-Y432 PolarHBondContact OE2-OH 3.48Å; Y428-Y432 AromaticContact CD2-CD2 3.79Å; Y428-Y432 HydrophobicContact CD2-CD2 3.79Å; Y428-Y432 AromaticContact CD2-CE2 3.62Å; Y428-Y432 HydrophobicContact CD2-CE2 3.62Å; Y428-Y432 HydrophobicContact CE1-CD2 4.31Å; Y428-Y432 AromaticContact CE2-CD2 3.53Å; Y428-Y432 HydrophobicContact CE2-CD2 3.53Å; Y428-Y432 AromaticContact CE2-CE2 3.27Å; Y428-Y432 HydrophobicContact CE2-CE2 3.27Å; Y428-Y432 HydrophobicContact CG-CD2 4.29Å; Y428-Y432 AromaticContact CZ-CD2 3.81Å; Y428-Y432 AromaticContact CZ-CE2 3.96Å; Y428-Y432 WeakPolarHBondContact O-CD2 3.23Å; Y428-Y432 PolarHBondContact O-N 3.5Å; I429-Y432 PolarHBondContact O-N 3.39Å; Y432-P434 VanDerWaalsContact C-CD 3.45Å; Y432-P434 WeakPolarHBondContact O-CD 3.17Å
433L98.3Very high97.6Very high16 Ų1653.4 Ų53.48%0.08428%0.276CS..  trans-121.273.4173.8-57.1177.5000110.6P338 D341 A342 I429 I435 L436 Y466P338-L433 HydrophobicContact CB-CD1 4.19Å; P338-L433 WeakPolarHBondContact O-CD1 3.26Å; D341-L433 HydrophobicContact CB-CD1 3.79Å; D341-L433 HydrophobicContact CB-CD2 4.31Å; A342-L433 HydrophobicContact CB-CD1 4.1Å; A342-L433 HydrophobicContact CB-CG 4.12Å; I429-L433 HydrophobicContact CG2-CB 4.32Å; I429-L433 HydrophobicContact CG2-CD1 4.29Å; I429-L433 CarbonylContact O-C 3.19Å; I429-L433 WeakPolarHBondContact O-CA 3.24Å; I429-L433 WeakPolarHBondContact O-CB 3.44Å; I429-L433 PolarHBondContact O-N 2.96Å; L433-I435 PolarHBondContact O-N 3.3Å; L433-L436 HydrophobicContact CB-CD1 4.26Å; L433-L436 HydrophobicContact CB-CG 4.45Å; L433-L436 HydrophobicContact CD1-CD1 3.99Å; L433-L436 PolarHBondContact O-N 3.01Å; L433-Y466 HydrophobicContact CD1-CE2 4.19Å
434P97.8Very high97.7Very high73 Ų7353.3 Ų53.347%0.47428%0.276SS..G310 helixtrans-56.1-26.8-177.5-27.235.7000114.5Y432 L436 R437Y432-P434 VanDerWaalsContact C-CD 3.45Å; Y432-P434 WeakPolarHBondContact O-CD 3.17Å; P434-L436 PolarHBondContact O-N 3.43Å; P434-R437 WeakPolarHBondContact O-CB 3.41Å; P434-R437 PolarHBondContact O-N 3.27Å
435I98.1Very high97.8Very high79 Ų7949.4 Ų49.441%0.40525%0.25SS..G310 helixtrans-60.8-25.2176.5-166.459.9000112.8L433 C460 H465 Y466L433-I435 PolarHBondContact O-N 3.3Å; I435-C460 WeakPolarHBondContact O-CB 3.34Å; I435-H465 HydrophobicContact CD1-CB 4.36Å; I435-H465 HydrophobicContact CG1-CB 4.3Å; I435-Y466 HydrophobicContact CG2-CD2 4.24Å
436L98.3Very high98Very high0 Ų045.9 Ų45.90%023%0.232CC..G310 helixtrans-94.32.9177.5-61179.5000113.3P338 I429 L433 P434 G438 F439 I444 I462 Y466P338-L436 HydrophobicContact CB-CD1 3.7Å; P338-L436 HydrophobicContact CG-CD1 3.61Å; I429-L436 HydrophobicContact CG2-CB 4.32Å; I429-L436 HydrophobicContact CG2-CD1 4.05Å; L433-L436 HydrophobicContact CB-CD1 4.26Å; L433-L436 HydrophobicContact CB-CG 4.45Å; L433-L436 HydrophobicContact CD1-CD1 3.99Å; L433-L436 PolarHBondContact O-N 3.01Å; P434-L436 PolarHBondContact O-N 3.43Å; L436-G438 PolarHBondContact O-N 2.92Å; L436-F439 HydrophobicContact CB-CD2 4.21Å; L436-F439 HydrophobicContact CD2-CD2 3.8Å; L436-F439 HydrophobicContact CD2-CE2 3.6Å; L436-F439 PolarHBondContact O-N 3.46Å; L436-I444 HydrophobicContact CB-CD1 3.95Å; L436-I444 VanDerWaalsContact O-CD1 3.26Å; L436-I444 WeakPolarHBondContact O-CD1 3.36Å; L436-I462 HydrophobicContact CD2-CD1 4.37Å; L436-Y466 HydrophobicContact CD1-CD1 4.44Å; L436-Y466 HydrophobicContact CD1-CD2 4.14Å; L436-Y466 HydrophobicContact CD1-CE1 4.25Å; L436-Y466 HydrophobicContact CD1-CE2 4.02Å; L436-Y466 HydrophobicContact CD1-CG 4.37Å; L436-Y466 HydrophobicContact CD2-CD1 4.09Å; L436-Y466 HydrophobicContact CD2-CD2 4.24Å; L436-Y466 HydrophobicContact CD2-CG 3.84Å; L436-Y466 HydrophobicContact CG-CD2 4.26Å; L436-Y466 HydrophobicContact CG-CG 4.36Å
437R97.4Very high98Very high154 Ų15445.9 Ų45.958%0.58123%0.232SC*.THydrogen-bonded Turntrans-58.1-26.8-173.3-171.9-178-63.51650.3114R430 P434R430-R437 HydrophobicContact CB-CG 4.37Å; R430-R437 PolarHBondContact NH1-O 3.47Å; P434-R437 WeakPolarHBondContact O-CB 3.41Å; P434-R437 PolarHBondContact O-N 3.27Å
438G97.4Very high98.1Very high46 Ų4645 Ų4547%0.47422%0.222SC..THydrogen-bonded Turntrans-79.6-12.4178.800000115.4L436 A458L436-G438 PolarHBondContact O-N 2.92Å; G438-A458 VanDerWaalsContact C-CB 3.49Å
439F98.4Very high98.1Very high1 Ų149.2 Ų49.20%0.00424%0.244CC..SBendtrans-72.8136.9-176.4-84-90.6000112.1R430 L436 I444 P447 A450 Q455 A458 C460 I462R430-F439 PolarHBondContact NH1-O 2.9Å; R430-F439 PolarHBondContact NH2-O 3.21Å; L436-F439 HydrophobicContact CB-CD2 4.21Å; L436-F439 HydrophobicContact CD2-CD2 3.8Å; L436-F439 HydrophobicContact CD2-CE2 3.6Å; L436-F439 PolarHBondContact O-N 3.46Å; F439-I444 HydrophobicContact CB-CD1 3.8Å; F439-P447 HydrophobicContact CD1-CB 3.98Å; F439-P447 HydrophobicContact CE1-CB 3.66Å; F439-P447 HydrophobicContact CE2-CB 4.28Å; F439-P447 HydrophobicContact CG-CB 4.44Å; F439-P447 HydrophobicContact CZ-CB 3.84Å; F439-A450 HydrophobicContact CD1-CB 4.17Å; F439-A450 HydrophobicContact CE1-CB 3.7Å; F439-Q455 HydrophobicContact CE1-CG 4.06Å; F439-Q455 HydrophobicContact CZ-CG 4.09Å; F439-A458 HydrophobicContact CD1-CB 4.49Å; F439-A458 HydrophobicContact CD2-CB 3.93Å; F439-A458 HydrophobicContact CE2-CB 4.09Å; F439-A458 HydrophobicContact CG-CB 4.15Å; F439-A458 HydrophobicContact CZ-CB 4.41Å; F439-C460 HydrophobicContact CE2-CB 3.66Å; F439-C460 HydrophobicContact CZ-CB 4.38Å; F439-C460 WeakPolarHBondContact CZ-O 3.46Å; F439-I462 HydrophobicContact CE2-CD1 4.22Å; F439-I462 HydrophobicContact CZ-CD1 3.79Å; F439-I462 HydrophobicContact CZ-CG1 4.08Å
440P98.1Very high98.1Very high60 Ų6049.5 Ų49.539%0.3925%0.247SC..  trans-59.2149.1170.1-22.533.2000111.9K442 Y443 I444 V454P440-K442 PolarHBondContact O-N 2.88Å; P440-Y443 HydrophobicContact CB-CD2 4.44Å; P440-Y443 HydrophobicContact CG-CD2 4.42Å; P440-Y443 PolarHBondContact O-N 3.02Å; P440-I444 PolarHBondContact O-N 3.11Å; P440-I444 VanDerWaalsContact O-N 3.08Å; P440-V454 HydrophobicContact CG-CG1 3.94Å
441A97.7Very high98.1Very high37 Ų3750.1 Ų50.131%0.30626%0.257SS..THydrogen-bonded Turntrans-53.1-31.4178.900000113.2Y443 I444A441-Y443 PolarHBondContact O-N 3.26Å; A441-I444 WeakPolarHBondContact O-CG2 3.22Å
442K97.8Very high98.1Very high145 Ų14549.9 Ų49.963%0.6326%0.262SS*.THydrogen-bonded Turntrans-54.9-35.2174.3-177.1179.4177.4-170.70113.7P440P440-K442 PolarHBondContact O-N 2.88Å
443Y98.4Very high98.1Very high39 Ų3953.5 Ų53.515%0.15329%0.288CS..THydrogen-bonded Turntrans-115.3-4.7-172.8-61.7-69.2000113.5P440 A441 Y445 D446 P447 N449 A450 V454P440-Y443 HydrophobicContact CB-CD2 4.44Å; P440-Y443 HydrophobicContact CG-CD2 4.42Å; P440-Y443 PolarHBondContact O-N 3.02Å; A441-Y443 PolarHBondContact O-N 3.26Å; Y443-Y445 PolarHBondContact O-N 3Å; Y443-Y445 VanDerWaalsContact O-N 3.15Å; Y443-D446 CarbonylContact O-C 3.58Å; Y443-D446 PolarHBondContact O-N 3.36Å; Y443-D446 VanDerWaalsContact O-N 3.1Å; Y443-P447 WeakPolarHBondContact O-CA 3.45Å; Y443-P447 WeakPolarHBondContact O-CD 3.41Å; Y443-N449 HydrophobicContact CD1-CB 4.36Å; Y443-N449 WeakPolarHBondContact CE1-O 3.37Å; Y443-A450 HydrophobicContact CD1-CB 3.99Å; Y443-A450 HydrophobicContact CD2-CB 4.24Å; Y443-A450 HydrophobicContact CG-CB 3.82Å; Y443-V454 HydrophobicContact CD2-CG1 4.2Å
444I98.6Very high98.1Very high1 Ų154.3 Ų54.31%0.00529%0.294CS..THydrogen-bonded Turntrans-61.9-26.7-172.7-166.663.6000113.1P338 I429 R430 L436 F439 P440 A441P338-I444 WeakPolarHBondContact CB-O 3.39Å; P338-I444 WeakPolarHBondContact CG-O 3.43Å; I429-I444 HydrophobicContact CB-CG1 4.02Å; I429-I444 HydrophobicContact CD1-CG1 4.21Å; I429-I444 HydrophobicContact CG2-CD1 3.82Å; I429-I444 HydrophobicContact CG2-CG1 3.77Å; R430-I444 HydrophobicContact CG-CD1 4.36Å; L436-I444 HydrophobicContact CB-CD1 3.95Å; L436-I444 VanDerWaalsContact O-CD1 3.26Å; L436-I444 WeakPolarHBondContact O-CD1 3.36Å; F439-I444 HydrophobicContact CB-CD1 3.8Å; P440-I444 PolarHBondContact O-N 3.11Å; P440-I444 VanDerWaalsContact O-N 3.08Å; A441-I444 WeakPolarHBondContact O-CG2 3.22Å
445Y98.6Very high98.1Very high0 Ų051.8 Ų51.80%028%0.275CS..THydrogen-bonded Turntrans-92.5-16.5178.9-73.7-79.3000114W339 G419 R420 D423 I429 Y443W339-Y445 HydrophobicContact CB-CD1 4.2Å; W339-Y445 HydrophobicContact CB-CE1 4.34Å; W339-Y445 HydrophobicContact CE3-CE1 4.06Å; G419-Y445 VanDerWaalsContact CA-CE1 3.45Å; G419-Y445 PolarHBondContact O-OH 3.25Å; R420-Y445 HydrophobicContact CB-CD2 3.86Å; R420-Y445 HydrophobicContact CB-CE2 4.15Å; R420-Y445 HydrophobicContact CB-CG 4.15Å; R420-Y445 HydrophobicContact CG-CD2 4.18Å; D423-Y445 WeakPolarHBondContact CB-OH 3.39Å; D423-Y445 WeakPolarHBondContact O-CE2 3.2Å; D423-Y445 VanDerWaalsContact O-CZ 3.26Å; D423-Y445 PolarHBondContact O-OH 3.31Å; I429-Y445 HydrophobicContact CD1-CD1 3.38Å; I429-Y445 HydrophobicContact CD1-CD2 4.38Å; I429-Y445 HydrophobicContact CD1-CE1 3.2Å; I429-Y445 HydrophobicContact CD1-CE2 4.26Å; I429-Y445 HydrophobicContact CD1-CG 3.96Å; I429-Y445 HydrophobicContact CG1-CE1 4.21Å; Y443-Y445 PolarHBondContact O-N 3Å; Y443-Y445 VanDerWaalsContact O-N 3.15Å
446D98.3Very high98.1Very high21 Ų2154.4 Ų54.411%0.11228%0.284CS..  trans-145.557.7-174.755.2-34.5000110.8V416 R420 Y443 W448 N449V416-D446 HydrophobicContact CG1-CB 3.99Å; V416-D446 HydrophobicContact CG2-CB 4.47Å; R420-D446 IonicContact NH2-OD1 2.78Å; R420-D446 PolarHBondContact NH2-OD1 3.1Å; R420-D446 IonicContact NH2-OD2 3.17Å; R420-D446 PolarHBondContact NH2-OD2 3.05Å; Y443-D446 CarbonylContact O-C 3.58Å; Y443-D446 PolarHBondContact O-N 3.36Å; Y443-D446 VanDerWaalsContact O-N 3.1Å; D446-W448 HydrophobicContact CB-CD2 4.39Å; D446-W448 HydrophobicContact CB-CH2 4.02Å; D446-W448 HydrophobicContact CB-CZ2 3.71Å; D446-W448 HydrophobicContact CB-CZ3 4.46Å; D446-W448 PolarHBondContact O-N 3.31Å; D446-W448 VanDerWaalsContact O-N 3.11Å; D446-N449 WeakPolarHBondContact O-CB 3.38Å; D446-N449 PolarHBondContact O-N 3.06Å; D446-N449 PolarHBondContact OD2-ND2 3.46Å
447P98.4Very high98.1Very high0 Ų058.4 Ų58.40%032%0.317CS..G310 helixtrans-67.6-18.1-168.128-38.3000113.3P338 F439 Y443 N449 A450 I462 Y466P338-P447 HydrophobicContact CG-CG 3.74Å; F439-P447 HydrophobicContact CD1-CB 3.98Å; F439-P447 HydrophobicContact CE1-CB 3.66Å; F439-P447 HydrophobicContact CE2-CB 4.28Å; F439-P447 HydrophobicContact CG-CB 4.44Å; F439-P447 HydrophobicContact CZ-CB 3.84Å; Y443-P447 WeakPolarHBondContact O-CA 3.45Å; Y443-P447 WeakPolarHBondContact O-CD 3.41Å; P447-N449 PolarHBondContact O-N 3.46Å; P447-A450 WeakPolarHBondContact O-CB 3.31Å; P447-A450 PolarHBondContact O-N 3.04Å; P447-I462 HydrophobicContact CB-CD1 3.7Å; P447-I462 HydrophobicContact CB-CG1 4.1Å; P447-I462 HydrophobicContact CG-CD1 3.92Å; P447-Y466 HydrophobicContact CG-CD1 4.42Å; P447-Y466 HydrophobicContact CG-CE1 4.25Å
448W98.4Very high98.1Very high72 Ų7251.5 Ų51.527%0.27329%0.293SS..G310 helixtrans-64.3-20.3171.458.188.7000113.3G336 F337 V416 D446 A450 I462 P469G336-W448 WeakPolarHBondContact O-CZ3 3.32Å; F337-W448 AromaticContact CD1-CH2 3.53Å; F337-W448 HydrophobicContact CD1-CH2 3.53Å; F337-W448 HydrophobicContact CD1-CZ2 4.34Å; F337-W448 HydrophobicContact CD1-CZ3 4.24Å; F337-W448 AromaticContact CE1-CH2 3.68Å; F337-W448 HydrophobicContact CE1-CH2 3.68Å; F337-W448 HydrophobicContact CE1-CZ2 4.05Å; F337-W448 HydrophobicContact CG-CH2 4.34Å; V416-W448 HydrophobicContact CG2-CH2 3.74Å; V416-W448 HydrophobicContact CG2-CZ2 3.86Å; D446-W448 HydrophobicContact CB-CD2 4.39Å; D446-W448 HydrophobicContact CB-CH2 4.02Å; D446-W448 HydrophobicContact CB-CZ2 3.71Å; D446-W448 HydrophobicContact CB-CZ3 4.46Å; D446-W448 PolarHBondContact O-N 3.31Å; D446-W448 VanDerWaalsContact O-N 3.11Å; W448-A450 VanDerWaalsContact C-N 3.33Å; W448-I462 HydrophobicContact CB-CG2 4.31Å; W448-P469 HydrophobicContact CB-CG 4.25Å; W448-P469 HydrophobicContact CD2-CG 3.23Å; W448-P469 HydrophobicContact CE3-CG 3.25Å; W448-P469 HydrophobicContact CG-CG 3.7Å; W448-P469 HydrophobicContact CH2-CG 4.04Å; W448-P469 HydrophobicContact CZ2-CG 4.04Å; W448-P469 HydrophobicContact CZ3-CG 3.67Å
449N98.2Very high98.1Very high93 Ų9357.9 Ų57.950%0.49731%0.308SS..G310 helixtrans-85.3-4.6173.5-67.1-28.6000112.9Y443 D446 P447Y443-N449 HydrophobicContact CD1-CB 4.36Å; Y443-N449 WeakPolarHBondContact CE1-O 3.37Å; D446-N449 WeakPolarHBondContact O-CB 3.38Å; D446-N449 PolarHBondContact O-N 3.06Å; D446-N449 PolarHBondContact OD2-ND2 3.46Å; P447-N449 PolarHBondContact O-N 3.46Å
450A98Very high98.1Very high6 Ų657.9 Ų57.95%0.0531%0.308CS..SBendtrans-75.6132.4179.300000110.8F439 Y443 P447 W448 V454 Q455F439-A450 HydrophobicContact CD1-CB 4.17Å; F439-A450 HydrophobicContact CE1-CB 3.7Å; Y443-A450 HydrophobicContact CD1-CB 3.99Å; Y443-A450 HydrophobicContact CD2-CB 4.24Å; Y443-A450 HydrophobicContact CG-CB 3.82Å; P447-A450 WeakPolarHBondContact O-CB 3.31Å; P447-A450 PolarHBondContact O-N 3.04Å; W448-A450 VanDerWaalsContact C-N 3.33Å; A450-V454 HydrophobicContact CB-CB 4.27Å; A450-V454 HydrophobicContact CB-CG1 4.13Å; A450-Q455 HydrophobicContact CB-CG 4.05Å; A450-Q455 PolarHBondContact O-NE2 3.02Å
451P98.4Very high98.1Very high60 Ų6057.6 Ų57.639%0.3930%0.302SS..  trans-56.2152.4172.1-2433.1000112.1S453 V454 Q455P451-S453 PolarHBondContact O-N 3.33Å; P451-S453 VanDerWaalsContact O-N 3.13Å; P451-V454 HydrophobicContact CB-CG2 4.38Å; P451-V454 HydrophobicContact CG-CG2 4.28Å; P451-V454 WeakPolarHBondContact O-CA 3.49Å; P451-V454 WeakPolarHBondContact O-CB 3.26Å; P451-V454 PolarHBondContact O-N 3.33Å; P451-Q455 PolarHBondContact O-N 2.86Å
452E96.9Very high98.2Very high137 Ų13756.5 Ų56.564%0.6429%0.291SS*.Hα-helixtrans-55.4-35179.6-69.1-170.3-176.700113.3V454 Q455 K456E452-V454 VanDerWaalsContact C-N 3.31Å; E452-V454 PolarHBondContact O-N 2.87Å; E452-Q455 PolarHBondContact O-N 3.09Å; E452-K456 WeakPolarHBondContact O-CB 3.35Å; E452-K456 VanDerWaalsContact O-CG 3.31Å; E452-K456 WeakPolarHBondContact O-CG 3.19Å; E452-K456 PolarHBondContact O-N 2.72Å; E452-K456 IonicContact OE2-NZ 2.74Å
453S98.1Very high98.1Very high84 Ų8451.8 Ų51.859%0.58728%0.284SS*.Hα-helixtrans-61.8-39.1175.954.80000112.3P451 A457P451-S453 PolarHBondContact O-N 3.33Å; P451-S453 VanDerWaalsContact O-N 3.13Å; S453-A457 WeakPolarHBondContact O-CB 3.43Å; S453-A457 PolarHBondContact O-N 2.92Å
454V98.5Very high98.1Very high32 Ų3255.2 Ų55.219%0.19431%0.309CS..Hα-helixtrans-69.6-42.7175.8177.80000110.5P440 Y443 A450 P451 E452 A457 A458P440-V454 HydrophobicContact CG-CG1 3.94Å; Y443-V454 HydrophobicContact CD2-CG1 4.2Å; A450-V454 HydrophobicContact CB-CB 4.27Å; A450-V454 HydrophobicContact CB-CG1 4.13Å; P451-V454 HydrophobicContact CB-CG2 4.38Å; P451-V454 HydrophobicContact CG-CG2 4.28Å; P451-V454 WeakPolarHBondContact O-CA 3.49Å; P451-V454 WeakPolarHBondContact O-CB 3.26Å; P451-V454 PolarHBondContact O-N 3.33Å; E452-V454 VanDerWaalsContact C-N 3.31Å; E452-V454 PolarHBondContact O-N 2.87Å; V454-A457 PolarHBondContact O-N 3.11Å; V454-A458 VanDerWaalsContact O-CB 3.32Å; V454-A458 WeakPolarHBondContact O-CB 3.18Å; V454-A458 PolarHBondContact O-N 3.05Å
455Q98.4Very high98Very high20 Ų2060 Ų609%0.09333%0.331CS..Hα-helixtrans-62-43.4176.8-66-172.337.700112F439 A450 P451 E452 A458 K459 C460 I461 I462F439-Q455 HydrophobicContact CE1-CG 4.06Å; F439-Q455 HydrophobicContact CZ-CG 4.09Å; A450-Q455 HydrophobicContact CB-CG 4.05Å; A450-Q455 PolarHBondContact O-NE2 3.02Å; P451-Q455 PolarHBondContact O-N 2.86Å; E452-Q455 PolarHBondContact O-N 3.09Å; Q455-A458 CarbonylContact O-C 3.47Å; Q455-A458 PolarHBondContact O-N 3.05Å; Q455-K459 PolarHBondContact O-N 2.7Å; Q455-K459 VanDerWaalsContact O-N 3.09Å; Q455-C460 WeakPolarHBondContact CB-O 3.32Å; Q455-C460 PolarHBondContact O-N 3.1Å; Q455-I461 HydrophobicContact CB-CD1 3.88Å; Q455-I462 HydrophobicContact CG-CG1 4.46Å
456K97.8Very high98Very high134 Ų13460.5 Ų60.558%0.58333%0.333SS*.Hα-helixtrans-61.9-45.2174.3-74.1172.8-177.3168.40111.5E452 A458 K459 I461E452-K456 WeakPolarHBondContact O-CB 3.35Å; E452-K456 VanDerWaalsContact O-CG 3.31Å; E452-K456 WeakPolarHBondContact O-CG 3.19Å; E452-K456 PolarHBondContact O-N 2.72Å; E452-K456 IonicContact OE2-NZ 2.74Å; K456-A458 VanDerWaalsContact C-N 3.33Å; K456-A458 PolarHBondContact O-N 3.3Å; K456-K459 PolarHBondContact O-N 2.98Å; K456-I461 HydrophobicContact CG-CD1 3.9Å
457A98.1Very high98.1Very high84 Ų8461.9 Ų61.969%0.69434%0.343SS*.Hα-helixtrans-63.5-37.6176.600000112.6S453 V454 K459S453-A457 WeakPolarHBondContact O-CB 3.43Å; S453-A457 PolarHBondContact O-N 2.92Å; V454-A457 PolarHBondContact O-N 3.11Å; A457-K459 PolarHBondContact O-N 3.29Å
458A97.7Very high98.1Very high10 Ų1068.7 Ų68.78%0.08337%0.372CS..THydrogen-bonded Turntrans-73.8-6.4174.600000113.6G438 F439 V454 Q455 K456 C460G438-A458 VanDerWaalsContact C-CB 3.49Å; F439-A458 HydrophobicContact CD1-CB 4.49Å; F439-A458 HydrophobicContact CD2-CB 3.93Å; F439-A458 HydrophobicContact CE2-CB 4.09Å; F439-A458 HydrophobicContact CG-CB 4.15Å; F439-A458 HydrophobicContact CZ-CB 4.41Å; V454-A458 VanDerWaalsContact O-CB 3.32Å; V454-A458 WeakPolarHBondContact O-CB 3.18Å; V454-A458 PolarHBondContact O-N 3.05Å; Q455-A458 CarbonylContact O-C 3.47Å; Q455-A458 PolarHBondContact O-N 3.05Å; K456-A458 VanDerWaalsContact C-N 3.33Å; K456-A458 PolarHBondContact O-N 3.3Å; A458-C460 PolarHBondContact O-N 3.15Å
459K98.3Very high98.1Very high180 Ų18066.9 Ų66.978%0.78337%0.37SS*.THydrogen-bonded Turntrans55.633.1-174.3-56.1-178.9-179.8-179.50113.2Q455 K456 A457Q455-K459 PolarHBondContact O-N 2.7Å; Q455-K459 VanDerWaalsContact O-N 3.09Å; K456-K459 PolarHBondContact O-N 2.98Å; A457-K459 PolarHBondContact O-N 3.29Å
460C98.3Very high98.1Very high0 Ų064.7 Ų64.70%036%0.357CS..  trans-145.2106.6-179.6179.90000109.7I435 F439 Q455 A458I435-C460 WeakPolarHBondContact O-CB 3.34Å; F439-C460 HydrophobicContact CE2-CB 3.66Å; F439-C460 HydrophobicContact CZ-CB 4.38Å; F439-C460 WeakPolarHBondContact CZ-O 3.46Å; Q455-C460 WeakPolarHBondContact CB-O 3.32Å; Q455-C460 PolarHBondContact O-N 3.1Å; A458-C460 PolarHBondContact O-N 3.15Å
461I98.3Very high98.1Very high54 Ų5466.2 Ų66.228%0.27737%0.366SS..  trans-89.3123.1174.4-51.6-56.7000109.8Q455 K456 V464 H465Q455-I461 HydrophobicContact CB-CD1 3.88Å; K456-I461 HydrophobicContact CG-CD1 3.9Å; I461-V464 HydrophobicContact CB-CB 4.31Å; I461-V464 HydrophobicContact CB-CG2 4.47Å; I461-V464 HydrophobicContact CG2-CB 4.46Å; I461-V464 HydrophobicContact CG2-CG2 4.12Å; I461-V464 PolarHBondContact O-N 3.36Å; I461-H465 PolarHBondContact N-ND1 2.86Å; I461-H465 PolarHBondContact O-N 2.8Å; I461-H465 PolarHBondContact O-ND1 2.95Å
462I98.4Very high98Very high15 Ų1567.2 Ų67.28%0.07737%0.368CS..BIsolated β-bridgetrans-73.3132.1-179.6-53.9-59.2000110.3L436 F439 P447 W448 Q455 Y466 K468L436-I462 HydrophobicContact CD2-CD1 4.37Å; F439-I462 HydrophobicContact CE2-CD1 4.22Å; F439-I462 HydrophobicContact CZ-CD1 3.79Å; F439-I462 HydrophobicContact CZ-CG1 4.08Å; P447-I462 HydrophobicContact CB-CD1 3.7Å; P447-I462 HydrophobicContact CB-CG1 4.1Å; P447-I462 HydrophobicContact CG-CD1 3.92Å; W448-I462 HydrophobicContact CB-CG2 4.31Å; Q455-I462 HydrophobicContact CG-CG1 4.46Å; I462-Y466 CarbonylContact C-O 3.26Å; I462-Y466 WeakPolarHBondContact CA-O 3.38Å; I462-Y466 HydrophobicContact CD1-CD1 3.87Å; I462-Y466 HydrophobicContact CD1-CG 4.44Å; I462-K468 HydrophobicContact CG2-CG 4.1Å
463G96.8Very high98.1Very high45 Ų4562.5 Ų62.546%0.46435%0.346SS..THydrogen-bonded Turntrans89.7-7.6-168.700000114.5Y466G463-Y466 PolarHBondContact N-O 3.14Å
464V97.1Very high97.9Very high112 Ų11261.7 Ų61.768%0.67934%0.344SS*.THydrogen-bonded Turntrans-118.2-59.4175.7-179.10000110.6I461I461-V464 HydrophobicContact CB-CB 4.31Å; I461-V464 HydrophobicContact CB-CG2 4.47Å; I461-V464 HydrophobicContact CG2-CB 4.46Å; I461-V464 HydrophobicContact CG2-CG2 4.12Å; I461-V464 PolarHBondContact O-N 3.36Å
465H98.1Very high97.9Very high102 Ų10265.9 Ų65.947%0.47236%0.362SS..THydrogen-bonded Turntrans-93.4-31.8-175.7-54.588.5000112.4I435 I461I435-H465 HydrophobicContact CD1-CB 4.36Å; I435-H465 HydrophobicContact CG1-CB 4.3Å; I461-H465 PolarHBondContact N-ND1 2.86Å; I461-H465 PolarHBondContact O-N 2.8Å; I461-H465 PolarHBondContact O-ND1 2.95Å
466Y98.6Very high97.8Very high10 Ų1065.8 Ų65.84%0.03936%0.364CS..BIsolated β-bridgetrans-134.4137174.2179.5-95.6000108.3G336 F337 P338 D341 L433 I435 L436 P447 I462 G463G336-Y466 WeakPolarHBondContact CA-OH 3.22Å; F337-Y466 VanDerWaalsContact C-OH 3.23Å; F337-Y466 PolarHBondContact N-OH 2.58Å; P338-Y466 VanDerWaalsContact CA-OH 3.3Å; P338-Y466 WeakPolarHBondContact CA-OH 3.46Å; P338-Y466 WeakPolarHBondContact CD-OH 3.22Å; P338-Y466 HydrophobicContact CG-CE1 4.04Å; P338-Y466 VanDerWaalsContact N-OH 3.09Å; D341-Y466 PolarHBondContact OD2-OH 3.4Å; L433-Y466 HydrophobicContact CD1-CE2 4.19Å; I435-Y466 HydrophobicContact CG2-CD2 4.24Å; L436-Y466 HydrophobicContact CD1-CD1 4.44Å; L436-Y466 HydrophobicContact CD1-CD2 4.14Å; L436-Y466 HydrophobicContact CD1-CE1 4.25Å; L436-Y466 HydrophobicContact CD1-CE2 4.02Å; L436-Y466 HydrophobicContact CD1-CG 4.37Å; L436-Y466 HydrophobicContact CD2-CD1 4.09Å; L436-Y466 HydrophobicContact CD2-CD2 4.24Å; L436-Y466 HydrophobicContact CD2-CG 3.84Å; L436-Y466 HydrophobicContact CG-CD2 4.26Å; L436-Y466 HydrophobicContact CG-CG 4.36Å; P447-Y466 HydrophobicContact CG-CD1 4.42Å; P447-Y466 HydrophobicContact CG-CE1 4.25Å; I462-Y466 CarbonylContact C-O 3.26Å; I462-Y466 WeakPolarHBondContact CA-O 3.38Å; I462-Y466 HydrophobicContact CD1-CD1 3.87Å; I462-Y466 HydrophobicContact CD1-CG 4.44Å; G463-Y466 PolarHBondContact N-O 3.14Å
467P98.4Very high97.7Very high49 Ų4960.1 Ų60.132%0.31834%0.341SS..PPolyproline II helixtrans-63154.5-172.223.5-33.3000113.2R334R334-P467 HydrophobicContact CB-CG 4.49Å
468K98.4Very high97.5Very high143 Ų14360.2 Ų60.262%0.62234%0.336SS*.PPolyproline II helixtrans-69.6155.5164.9-69.9179.1-178.8-1800109.5I462 M470I462-K468 HydrophobicContact CG2-CG 4.1Å; K468-M470 PolarHBondContact O-N 3.01Å
469P98.5Very high97.5Very high35 Ų3564.1 Ų64.123%0.22735%0.354CS..PPolyproline II helixtrans-50.3126.5171.7-27.735.6000111.2F337 W448 V471F337-P469 HydrophobicContact CD2-CB 4.44Å; F337-P469 HydrophobicContact CE2-CB 3.77Å; F337-P469 HydrophobicContact CZ-CB 3.83Å; W448-P469 HydrophobicContact CB-CG 4.25Å; W448-P469 HydrophobicContact CD2-CG 3.23Å; W448-P469 HydrophobicContact CE3-CG 3.25Å; W448-P469 HydrophobicContact CG-CG 3.7Å; W448-P469 HydrophobicContact CH2-CG 4.04Å; W448-P469 HydrophobicContact CZ2-CG 4.04Å; W448-P469 HydrophobicContact CZ3-CG 3.67Å; P469-V471 PolarHBondContact O-N 3.19Å
470M98.3Very high97.4Very high46 Ų4655.8 Ų55.823%0.22732%0.318CS..SBendtrans-70.7-15.8-179.566-175.9-65.400113.5A326 K329 T335 F364 L370 K468A326-M470 HydrophobicContact CB-CE 3.49Å; A326-M470 VanDerWaalsContact CB-CE 3.49Å; K329-M470 HydrophobicContact CB-CE 4.12Å; K329-M470 HydrophobicContact CB-SD 4.15Å; K329-M470 HydrophobicContact CD-CB 4.45Å; K329-M470 HydrophobicContact CD-CE 4.16Å; T335-M470 VanDerWaalsContact CB-SD 3.59Å; T335-M470 HydrophobicContact CG2-SD 3.74Å; T335-M470 WeakPolarHBondContact O-CB 3.44Å; T335-M470 WeakPolarHBondContact O-CG 3.43Å; T335-M470 PolarHBondContact O-N 2.86Å; F364-M470 HydrophobicContact CE1-SD 4.12Å; F364-M470 HydrophobicContact CZ-CG 4.41Å; F364-M470 HydrophobicContact CZ-SD 4.35Å; L370-M470 HydrophobicContact CD1-CE 3.93Å; L370-M470 HydrophobicContact CD1-SD 4.19Å; L370-M470 HydrophobicContact CD2-CE 3.59Å; L370-M470 HydrophobicContact CD2-CG 4.3Å; L370-M470 HydrophobicContact CD2-SD 3.92Å; L370-M470 HydrophobicContact CG-CE 4.43Å; K468-M470 PolarHBondContact O-N 3.01Å
471V98.1Very high97.3Very high39 Ų3958.3 Ų58.324%0.23633%0.331CS..SBendtrans-145.8158.5178.5-66.30000110.8F337 F364 D369 L370 P469 A476F337-V471 HydrophobicContact CE2-CG2 3.88Å; F337-V471 HydrophobicContact CZ-CG2 4.21Å; F337-V471 WeakPolarHBondContact CZ-O 3.44Å; F364-V471 HydrophobicContact CE2-CG2 4.46Å; F364-V471 HydrophobicContact CZ-CG2 4.28Å; D369-V471 HydrophobicContact CB-CG2 4.29Å; L370-V471 HydrophobicContact CD2-CG1 3.88Å; L370-V471 HydrophobicContact CD2-CG2 4.42Å; P469-V471 PolarHBondContact O-N 3.19Å; V471-A476 HydrophobicContact CB-CB 4.47Å
472N98.1Very high97.1Very high81 Ų8159.3 Ų59.343%0.43334%0.335SS..  trans-85.8108162-177.5-20.2000109.1A474 E475 A476N472-A474 VanDerWaalsContact C-N 3.3Å; N472-A474 PolarHBondContact O-N 3.39Å; N472-A474 PolarHBondContact OD1-N 3.18Å; N472-A474 VanDerWaalsContact OD1-N 3.13Å; N472-E475 HydrophobicContact CB-CB 4.26Å; N472-E475 HydrophobicContact CB-CG 4.39Å; N472-E475 PolarHBondContact ND2-OE1 3.24Å; N472-E475 PolarHBondContact O-N 3.07Å; N472-A476 VanDerWaalsContact O-CB 3.29Å; N472-A476 WeakPolarHBondContact O-CB 3.42Å; N472-A476 PolarHBondContact O-N 3.23Å
473H97Very high97Very high38 Ų3862.7 Ų62.718%0.17635%0.346CS..Hα-helixtrans-56.2-40.3-176.6172.562000113.5F337 D369 P415 S477F337-H473 HydrophobicContact CE1-CB 4.34Å; F337-H473 HydrophobicContact CZ-CB 4.34Å; D369-H473 IonicContact OD1-CE1 2.64Å; D369-H473 IonicContact OD1-CG 2.83Å; D369-H473 IonicContact OD1-ND1 2.92Å; D369-H473 PolarHBondContact OD1-ND1 3.41Å; D369-H473 IonicContact OD2-ND1 3.59Å; P415-H473 WeakPolarHBondContact CD-CE1 3.48Å; P415-H473 VanDerWaalsContact CD-ND1 3.28Å; P415-H473 WeakPolarHBondContact CD-ND1 3.27Å; P415-H473 HydrophobicContact CG-CB 4.24Å; H473-S477 VanDerWaalsContact O-CB 3.23Å; H473-S477 WeakPolarHBondContact O-CB 3.18Å; H473-S477 PolarHBondContact O-N 3.32Å; H473-S477 PolarHBondContact O-OG 2.84Å
474A95.3Very high96.9Very high66 Ų6660.6 Ų60.655%0.54533%0.325SS..Hα-helixtrans-66.2-43-17600000111.4N472 C478N472-A474 VanDerWaalsContact C-N 3.3Å; N472-A474 PolarHBondContact O-N 3.39Å; N472-A474 PolarHBondContact OD1-N 3.18Å; N472-A474 VanDerWaalsContact OD1-N 3.13Å; A474-C478 VanDerWaalsContact O-CB 3.26Å; A474-C478 WeakPolarHBondContact O-CB 3.34Å; A474-C478 PolarHBondContact O-N 3.1Å
475E97.4Very high96.6Very high121 Ų12159.4 Ų59.457%0.56531%0.31SS*.Hα-helixtrans-70.7-50.2176.8-68.7167.3-162.700111.2N472 S477 C478 I479N472-E475 HydrophobicContact CB-CB 4.26Å; N472-E475 HydrophobicContact CB-CG 4.39Å; N472-E475 PolarHBondContact ND2-OE1 3.24Å; N472-E475 PolarHBondContact O-N 3.07Å; E475-S477 PolarHBondContact O-N 2.95Å; E475-C478 PolarHBondContact O-N 3.17Å; E475-I479 WeakPolarHBondContact O-CG1 3.29Å; E475-I479 PolarHBondContact O-N 3.31Å
476A97.1Very high96.4Very high17 Ų1759 Ų5914%0.1431%0.309CS..Hα-helixtrans-59.8-48.9-177.300000111.9V471 N472 C478 I479 N480V471-A476 HydrophobicContact CB-CB 4.47Å; N472-A476 VanDerWaalsContact O-CB 3.29Å; N472-A476 WeakPolarHBondContact O-CB 3.42Å; N472-A476 PolarHBondContact O-N 3.23Å; A476-C478 VanDerWaalsContact C-N 3.35Å; A476-C478 PolarHBondContact O-N 2.7Å; A476-I479 PolarHBondContact O-N 3.38Å; A476-N480 WeakPolarHBondContact O-CB 2.94Å; A476-N480 PolarHBondContact O-N 2.99Å; A476-N480 PolarHBondContact O-ND2 3.49Å
477S94.8Very high96.1Very high16 Ų1659.3 Ų59.311%0.11231%0.311CS..Hα-helixtrans-65.9-35.8179.264.10000112.9G368 H473 E475 N480 I481G368-S477 VanDerWaalsContact O-CA 3.23Å; G368-S477 WeakPolarHBondContact O-CA 3.3Å; H473-S477 VanDerWaalsContact O-CB 3.23Å; H473-S477 WeakPolarHBondContact O-CB 3.18Å; H473-S477 PolarHBondContact O-N 3.32Å; H473-S477 PolarHBondContact O-OG 2.84Å; E475-S477 PolarHBondContact O-N 2.95Å; S477-N480 PolarHBondContact O-N 3.32Å; S477-I481 WeakPolarHBondContact O-CB 2.91Å; S477-I481 WeakPolarHBondContact O-CD1 3.08Å; S477-I481 WeakPolarHBondContact O-CG1 3.18Å; S477-I481 PolarHBondContact O-N 3.12Å
478C95.8Very high95.6Very high85 Ų8558.5 Ų58.557%0.57430%0.302SS*.Hα-helixtrans-62.4-49174.9-177.10000111.4A474 E475 A476 N480 I481 E482A474-C478 VanDerWaalsContact O-CB 3.26Å; A474-C478 WeakPolarHBondContact O-CB 3.34Å; A474-C478 PolarHBondContact O-N 3.1Å; E475-C478 PolarHBondContact O-N 3.17Å; A476-C478 VanDerWaalsContact C-N 3.35Å; A476-C478 PolarHBondContact O-N 2.7Å; C478-N480 PolarHBondContact O-N 3.17Å; C478-I481 PolarHBondContact O-N 3.39Å; C478-E482 PolarHBondContact O-N 3.01Å
479I97.3Very high95.1Very high92 Ų9255.2 Ų55.247%0.47229%0.289SS..Hα-helixtrans-59.9-47.3176.8-67.7166.1000110.6E475 A476 I481 E482 R483E475-I479 WeakPolarHBondContact O-CG1 3.29Å; E475-I479 PolarHBondContact O-N 3.31Å; A476-I479 PolarHBondContact O-N 3.38Å; I479-I481 PolarHBondContact O-N 3.21Å; I479-E482 PolarHBondContact O-N 3.37Å; I479-R483 HydrophobicContact CG2-CG 4.41Å; I479-R483 WeakPolarHBondContact O-CG 3.24Å; I479-R483 PolarHBondContact O-N 3.46Å
480N96.7Very high94.5Very high5 Ų559.9 Ų59.93%0.02731%0.307CS..Hα-helixtrans-68.2-35.6-176.4-69.4-21.5000113R367 G368 D369 W371 A476 S477 C478 E482 R483 M484R367-N480 WeakPolarHBondContact O-CB 3.36Å; G368-N480 PolarHBondContact O-ND2 3.5Å; G368-N480 VanDerWaalsContact O-ND2 3.14Å; D369-N480 VanDerWaalsContact C-ND2 3.33Å; D369-N480 WeakPolarHBondContact CA-ND2 3.25Å; D369-N480 PolarHBondContact O-ND2 3.44Å; W371-N480 HydrophobicContact CE3-CB 3.75Å; W371-N480 HydrophobicContact CZ3-CB 3.89Å; W371-N480 WeakPolarHBondContact CZ3-O 3.34Å; A476-N480 WeakPolarHBondContact O-CB 2.94Å; A476-N480 PolarHBondContact O-N 2.99Å; A476-N480 PolarHBondContact O-ND2 3.49Å; S477-N480 PolarHBondContact O-N 3.32Å; C478-N480 PolarHBondContact O-N 3.17Å; N480-E482 VanDerWaalsContact C-N 3.33Å; N480-R483 PolarHBondContact O-N 3.33Å; N480-M484 PolarHBondContact O-N 3.01Å
481I94.7Very high93.6Very high53 Ų5360.4 Ų60.427%0.27231%0.311SS..Hα-helixtrans-61.9-43172.6-73.5165.6000110.5S477 C478 I479 M484 K485S477-I481 WeakPolarHBondContact O-CB 2.91Å; S477-I481 WeakPolarHBondContact O-CD1 3.08Å; S477-I481 WeakPolarHBondContact O-CG1 3.18Å; S477-I481 PolarHBondContact O-N 3.12Å; C478-I481 PolarHBondContact O-N 3.39Å; I479-I481 PolarHBondContact O-N 3.21Å; I481-M484 PolarHBondContact O-N 3.34Å; I481-K485 WeakPolarHBondContact O-CB 3.36Å; I481-K485 PolarHBondContact O-N 2.87Å
482E95.3Very high92Very high75 Ų7560.7 Ų60.735%0.3531%0.314SS..Hα-helixtrans-67.8-41177.5-174.356.5-149.100111.6C478 I479 N480 M484 K485 Q486C478-E482 PolarHBondContact O-N 3.01Å; I479-E482 PolarHBondContact O-N 3.37Å; N480-E482 VanDerWaalsContact C-N 3.33Å; E482-M484 PolarHBondContact O-N 3.49Å; E482-K485 WeakPolarHBondContact O-CB 3.41Å; E482-K485 PolarHBondContact O-N 3.24Å; E482-K485 WeakPolarHBondContact OE2-CD 3.47Å; E482-K485 IonicContact OE2-NZ 3.83Å; E482-K485 PolarHBondContact OE2-NZ 3.48Å; E482-Q486 WeakPolarHBondContact O-CG 3.48Å; E482-Q486 PolarHBondContact O-N 3.35Å; E482-Q486 PolarHBondContact OE1-NE2 3.3Å
483R95.7Very high89.9Confident86 Ų8661.8 Ų61.833%0.32533%0.328SS..Hα-helixtrans-55-49.5171.6-72.5177.4175.3-169.3-3111.5D321 W371 I479 N480 K485 Q486 I487D321-R483 IonicContact OD2-NH1 3.62Å; D321-R483 PolarHBondContact OD2-NH1 3.39Å; W371-R483 VanDerWaalsContact CG-NH1 3.3Å; W371-R483 HydrophobicContact CH2-CB 3.49Å; W371-R483 VanDerWaalsContact CH2-CB 3.49Å; W371-R483 HydrophobicContact CZ2-CB 3.73Å; W371-R483 HydrophobicContact CZ2-CG 4.48Å; W371-R483 HydrophobicContact CZ3-CB 4.03Å; I479-R483 HydrophobicContact CG2-CG 4.41Å; I479-R483 WeakPolarHBondContact O-CG 3.24Å; I479-R483 PolarHBondContact O-N 3.46Å; N480-R483 PolarHBondContact O-N 3.33Å; R483-K485 VanDerWaalsContact C-N 3.32Å; R483-K485 PolarHBondContact O-N 2.82Å; R483-Q486 PolarHBondContact O-N 3.19Å; R483-I487 WeakPolarHBondContact O-CD1 3.26Å; R483-I487 WeakPolarHBondContact O-CG1 3.48Å; R483-I487 PolarHBondContact O-N 3.13Å
484M94Very high87.5Confident2 Ų270.4 Ų70.41%0.0136%0.36CS..Hα-helixtrans-61.2-40.7178-79.2-50.8-4700112.5I318 W320 R367 W371 F409 N480 I481 E482 I487 Y488I318-M484 HydrophobicContact CD1-CE 3.92Å; I318-M484 HydrophobicContact CD1-SD 3.96Å; W320-M484 HydrophobicContact CH2-SD 4.48Å; R367-M484 HydrophobicContact CB-CG 4.18Å; W371-M484 HydrophobicContact CH2-CG 3.65Å; W371-M484 HydrophobicContact CH2-SD 3.41Å; W371-M484 WeakPolarHBondContact CH2-SD 3.29Å; W371-M484 HydrophobicContact CZ2-SD 4.39Å; W371-M484 HydrophobicContact CZ3-CG 3.73Å; W371-M484 HydrophobicContact CZ3-SD 3.9Å; F409-M484 HydrophobicContact CB-CB 4.2Å; F409-M484 HydrophobicContact CB-CG 4.27Å; F409-M484 HydrophobicContact CD1-CB 4.39Å; F409-M484 HydrophobicContact CD2-CB 3.43Å; F409-M484 VanDerWaalsContact CD2-CB 3.43Å; F409-M484 HydrophobicContact CD2-CG 4.32Å; F409-M484 HydrophobicContact CE2-CB 3.82Å; F409-M484 HydrophobicContact CG-CB 3.75Å; F409-M484 HydrophobicContact CG-CG 4.36Å; F409-M484 HydrophobicContact CZ-CB 4.46Å; N480-M484 PolarHBondContact O-N 3.01Å; I481-M484 PolarHBondContact O-N 3.34Å; E482-M484 PolarHBondContact O-N 3.49Å; M484-I487 PolarHBondContact O-N 3.31Å; M484-I487 HydrophobicContact SD-CD1 4.22Å; M484-Y488 HydrophobicContact CE-CD2 3.53Å; M484-Y488 HydrophobicContact CE-CE2 3.22Å; M484-Y488 WeakPolarHBondContact O-CD2 3.16Å; M484-Y488 PolarHBondContact O-N 3.17Å
485K92.3Very high85.4Confident86 Ų8677 Ų7737%0.37437%0.371SS..Hα-helixtrans-61.4-44.9177.2-176.4-173.5169.9-161.40111.6F409 I481 E482 R483 I487 Y488 Q489F409-K485 HydrophobicContact CE2-CB 3.98Å; F409-K485 HydrophobicContact CZ-CB 4.01Å; I481-K485 WeakPolarHBondContact O-CB 3.36Å; I481-K485 PolarHBondContact O-N 2.87Å; E482-K485 WeakPolarHBondContact O-CB 3.41Å; E482-K485 PolarHBondContact O-N 3.24Å; E482-K485 WeakPolarHBondContact OE2-CD 3.47Å; E482-K485 IonicContact OE2-NZ 3.83Å; E482-K485 PolarHBondContact OE2-NZ 3.48Å; R483-K485 VanDerWaalsContact C-N 3.32Å; R483-K485 PolarHBondContact O-N 2.82Å; K485-I487 PolarHBondContact O-N 3.46Å; K485-Y488 PolarHBondContact O-N 2.79Å; K485-Q489 WeakPolarHBondContact O-CB 3.4Å; K485-Q489 VanDerWaalsContact O-CG 3.24Å; K485-Q489 WeakPolarHBondContact O-CG 3.1Å; K485-Q489 PolarHBondContact O-N 3.08Å
486Q93Very high82.7Confident93 Ų9374.5 Ų74.544%0.43538%0.377SS..Hα-helixtrans-61.2-43.7176.9-701744.800111.8E482 R483 Y488 Q489 Q490E482-Q486 WeakPolarHBondContact O-CG 3.48Å; E482-Q486 PolarHBondContact O-N 3.35Å; E482-Q486 PolarHBondContact OE1-NE2 3.3Å; R483-Q486 PolarHBondContact O-N 3.19Å; Q486-Y488 PolarHBondContact O-N 3.41Å; Q486-Q489 PolarHBondContact O-N 2.99Å; Q486-Q490 WeakPolarHBondContact O-CG 3.27Å; Q486-Q490 PolarHBondContact O-N 3.18Å
487I92.3Very high79.8Confident18 Ų1880.9 Ų80.99%0.09241%0.408CS..Hα-helixtrans-59-50.1176.9-69159.3000110.9V316 I318 W371 R483 M484 K485 Q489 Q490 L491V316-I487 HydrophobicContact CG1-CG2 4.14Å; I318-I487 HydrophobicContact CB-CD1 4.5Å; I318-I487 HydrophobicContact CG1-CD1 4.38Å; I318-I487 HydrophobicContact CG1-CG2 4.36Å; I318-I487 HydrophobicContact CG2-CD1 3.83Å; W371-I487 HydrophobicContact CH2-CD1 4Å; W371-I487 HydrophobicContact CZ2-CD1 3.76Å; R483-I487 WeakPolarHBondContact O-CD1 3.26Å; R483-I487 WeakPolarHBondContact O-CG1 3.48Å; R483-I487 PolarHBondContact O-N 3.13Å; M484-I487 PolarHBondContact O-N 3.31Å; M484-I487 HydrophobicContact SD-CD1 4.22Å; K485-I487 PolarHBondContact O-N 3.46Å; I487-Q489 VanDerWaalsContact C-N 3.34Å; I487-Q489 PolarHBondContact O-N 3.05Å; I487-Q490 PolarHBondContact O-N 3.09Å; I487-L491 HydrophobicContact CG2-CD1 3.97Å; I487-L491 WeakPolarHBondContact O-CG 3.36Å; I487-L491 PolarHBondContact O-N 2.92Å
488Y88.1Confident77.4Confident32 Ų3283.5 Ų83.513%0.12544%0.438CS..Hα-helixtrans-69.1-30.8-179.3-85.8-74.9000113.7C402 Q407 F409 M484 K485 Q486 L491 S492C402-Y488 PolarHBondContact O-OH 3.04Å; Q407-Y488 HydrophobicContact CB-CE1 4.27Å; Q407-Y488 HydrophobicContact CG-CE1 3.96Å; F409-Y488 AromaticContact CD1-CD2 3.43Å; F409-Y488 HydrophobicContact CD1-CD2 3.43Å; F409-Y488 VanDerWaalsContact CD1-CD2 3.43Å; F409-Y488 AromaticContact CD1-CE2 3.53Å; F409-Y488 HydrophobicContact CD1-CE2 3.53Å; F409-Y488 HydrophobicContact CD1-CG 4.34Å; F409-Y488 AromaticContact CE1-CD2 3.38Å; F409-Y488 HydrophobicContact CE1-CD2 3.38Å; F409-Y488 AromaticContact CE1-CE2 3.98Å; F409-Y488 HydrophobicContact CE1-CE2 3.98Å; F409-Y488 AromaticContact CE1-CG 3.93Å; F409-Y488 HydrophobicContact CE1-CG 3.93Å; F409-Y488 HydrophobicContact CG-CD2 4.44Å; F409-Y488 HydrophobicContact CG-CE2 4.44Å; F409-Y488 HydrophobicContact CZ-CD2 4.34Å; M484-Y488 HydrophobicContact CE-CD2 3.53Å; M484-Y488 HydrophobicContact CE-CE2 3.22Å; M484-Y488 WeakPolarHBondContact O-CD2 3.16Å; M484-Y488 PolarHBondContact O-N 3.17Å; K485-Y488 PolarHBondContact O-N 2.79Å; Q486-Y488 PolarHBondContact O-N 3.41Å; Y488-L491 HydrophobicContact CD1-CD1 3.98Å; Y488-L491 HydrophobicContact CE1-CD1 4.28Å; Y488-L491 HydrophobicContact CG-CD1 4.47Å; Y488-L491 PolarHBondContact O-N 3.17Å; Y488-S492 PolarHBondContact O-N 3.27Å
489Q88.2Confident74.6Confident74 Ų7487.6 Ų87.635%0.34645%0.453SS..Hα-helixtrans-61.8-47.8170.6-76.4173-13.500110.8K485 Q486 I487 L491 S492 C493 L500K485-Q489 WeakPolarHBondContact O-CB 3.4Å; K485-Q489 VanDerWaalsContact O-CG 3.24Å; K485-Q489 WeakPolarHBondContact O-CG 3.1Å; K485-Q489 PolarHBondContact O-N 3.08Å; Q486-Q489 PolarHBondContact O-N 2.99Å; I487-Q489 VanDerWaalsContact C-N 3.34Å; I487-Q489 PolarHBondContact O-N 3.05Å; Q489-L491 VanDerWaalsContact C-N 3.33Å; Q489-L491 PolarHBondContact O-N 2.78Å; Q489-S492 PolarHBondContact O-N 3.22Å; Q489-S492 VanDerWaalsContact O-N 3.17Å; Q489-S492 PolarHBondContact O-OG 2.91Å; Q489-C493 PolarHBondContact O-N 3.04Å; Q489-C493 VanDerWaalsContact O-N 3.09Å; Q489-C493 PolarHBondContact O-SG 3.35Å; Q489-L500 HydrophobicContact CG-CD1 4.02Å
490Q85.1Confident71.7Confident132 Ų13289.1 Ų89.162%0.61746%0.462SS*.Hα-helixtrans-62.4-38.8177.8-69.7175.8-2.100112.5Q486 I487 S492 C493 Y494Q486-Q490 WeakPolarHBondContact O-CG 3.27Å; Q486-Q490 PolarHBondContact O-N 3.18Å; I487-Q490 PolarHBondContact O-N 3.09Å; Q490-S492 VanDerWaalsContact C-N 3.35Å; Q490-S492 PolarHBondContact O-N 3.38Å; Q490-C493 PolarHBondContact O-N 3.13Å; Q490-Y494 PolarHBondContact O-N 2.97Å; Q490-Y494 VanDerWaalsContact O-N 3.12Å
491L80.7Confident68.6Low58 Ų5893 Ų9330%0.30450%0.495SS..Hα-helixtrans-63.6-38.9174.8-70.5165.2000112.6V316 I487 Y488 Q489 Y494 R495V316-L491 HydrophobicContact CB-CD1 4.5Å; V316-L491 HydrophobicContact CG1-CD1 3.44Å; V316-L491 VanDerWaalsContact CG1-CD1 3.44Å; V316-L491 HydrophobicContact CG1-CD2 4.49Å; V316-L491 HydrophobicContact CG2-CD1 4.19Å; I487-L491 HydrophobicContact CG2-CD1 3.97Å; I487-L491 WeakPolarHBondContact O-CG 3.36Å; I487-L491 PolarHBondContact O-N 2.92Å; Y488-L491 HydrophobicContact CD1-CD1 3.98Å; Y488-L491 HydrophobicContact CE1-CD1 4.28Å; Y488-L491 HydrophobicContact CG-CD1 4.47Å; Y488-L491 PolarHBondContact O-N 3.17Å; Q489-L491 VanDerWaalsContact C-N 3.33Å; Q489-L491 PolarHBondContact O-N 2.78Å; L491-Y494 PolarHBondContact O-N 3.18Å; L491-R495 PolarHBondContact O-N 3.32Å
492S63.9Low65.5Low44 Ų4497.3 Ų97.331%0.30852%0.524SS..Hα-helixtrans-67.3-36.5177.773.50000112.3Y488 Q489 Q490 Y494 R495 G496Y488-S492 PolarHBondContact O-N 3.27Å; Q489-S492 PolarHBondContact O-N 3.22Å; Q489-S492 VanDerWaalsContact O-N 3.17Å; Q489-S492 PolarHBondContact O-OG 2.91Å; Q490-S492 VanDerWaalsContact C-N 3.35Å; Q490-S492 PolarHBondContact O-N 3.38Å; S492-Y494 VanDerWaalsContact C-N 3.34Å; S492-R495 PolarHBondContact O-N 2.86Å; S492-G496 PolarHBondContact O-N 3.14Å
493C53.8Low62.4Low105 Ų10599.4 Ų99.471%0.70954%0.541SS*.Hα-helixtrans-66.3-35.3174-63.80000112.3Q489 Q490Q489-C493 PolarHBondContact O-N 3.04Å; Q489-C493 VanDerWaalsContact O-N 3.09Å; Q489-C493 PolarHBondContact O-SG 3.35Å; Q490-C493 PolarHBondContact O-N 3.13Å
494Y47.4Very low59.2Low219 Ų219100.8 Ų100.886%0.85956%0.562SS**Hα-helixtrans-77.6-28.1177.7-101.4-92.6000114.2Q490 L491 S492Q490-Y494 PolarHBondContact O-N 2.97Å; Q490-Y494 VanDerWaalsContact O-N 3.12Å; L491-Y494 PolarHBondContact O-N 3.18Å; S492-Y494 VanDerWaalsContact C-N 3.34Å
495R50.4Low56.1Low204 Ų204105.6 Ų105.677%0.7760%0.595SS**THydrogen-bonded Turntrans-914.4-179.4-75.1-164.9-176.8-159.81.8115.1L491 S492 L497L491-R495 PolarHBondContact O-N 3.32Å; S492-R495 PolarHBondContact O-N 2.86Å; R495-L497 PolarHBondContact O-N 2.84Å
496G39.8Very low53Low68 Ų68109.5 Ų109.570%0.70162%0.62SS**THydrogen-bonded Turntrans57.919.1166.700000116.8S492S492-G496 PolarHBondContact O-N 3.14Å
497L36.6Very low49.8Very low151 Ų151111 Ų11179%0.79164%0.636SS**SBendtrans-148.2121.2-179.9-96.9148000110.2R495R495-L497 PolarHBondContact O-N 2.84Å
498G44.6Very low46.7Very low72 Ų72118.3 Ų118.374%0.74268%0.675SS**  trans-66.3136.9-172.600000114.8
499L36.3Very low43.8Very low170 Ų170120.2 Ų120.289%0.8971%0.705SS**  trans-153.148.9161.7-116.1132.1000110.1
500L37Very low40.9Very low124 Ų124124.3 Ų124.365%0.64973%0.729SS**  trans-124.480.4158.7-83.6168.8000107.5Q489Q489-L500 HydrophobicContact CG-CD1 4.02Å
501A30.8Very low38Very low88 Ų88126.2 Ų126.273%0.72774%0.743SS**  trans-122.1123.4162.500000108.3
502T31.1Very low35.4Very low142 Ų142131.9 Ų131.987%0.87177%0.768SS**  trans83.891.4170.864.80000118.2
503V29.8Very low33.4Very low119 Ų119136.1 Ų136.172%0.72179%0.792SS**  trans-111.9126148.9-179.30000106.2S505V503-S505 PolarHBondContact O-N 2.93Å
504P29Very low32Very low116 Ų116137 Ų13775%0.75380%0.799SS**  trans-73.6118.2166.8-4.921.4000108.5N506P504-N506 PolarHBondContact O-N 3.02Å
505S28.3Very low30.8Very low102 Ų102131 Ų13171%0.71379%0.79SS**  trans-72.1107.1168.9-57.60000109V503 T507V503-S505 PolarHBondContact O-N 2.93Å; S505-T507 PolarHBondContact O-N 3.2Å
506N26.2Very low29.5Very low168 Ų168128.7 Ų128.790%0.89879%0.793SS**  trans-77.892.5163.3-99.61.3000108.5P504P504-N506 PolarHBondContact O-N 3.02Å
507T26.4Very low28.7Very low125 Ų125129.8 Ų129.877%0.76780%0.795SS**  trans-91.890163.641.90000109.1S505S505-T507 PolarHBondContact O-N 3.2Å
508N27.6Very low28.1Very low172 Ų172131.5 Ų131.592%0.9280%0.801SS**  trans-109.789.5154-91.7-0.1000107.2
509G26.4Very low27Very low72 Ų72131.8 Ų131.874%0.74280%0.797SS**  trans-111.4116.5165.200000108.3
510N27.3Very low26.4Very low160 Ų160133.5 Ų133.586%0.85680%0.798SS**  trans-50.3140.8167.5-76.1-16.1000111
511N24.4Very low25.6Very low171 Ų171132.5 Ų132.591%0.91480%0.801SS**  trans-146.8116.3148.3-104.9-4.8000109.6
512E25.5Very low25.3Very low178 Ų178136.4 Ų136.483%0.83281%0.808SS**  trans-82152.3163.3-84.4-172.5151.300110.6
513T23.2Very low24.9Very low132 Ų132138.2 Ų138.281%0.8181%0.806SS**  trans68.5112.9158.654.80000119.8
514S23.4Very low24.6Very low123 Ų123136.7 Ų136.786%0.8681%0.806SS**  -179.315696.665.30000111.9
515S22.6Very low24.5Very low94 Ų94136.6 Ų136.666%0.65781%0.808SS**  trans-74.9166.9-168.153.40000116.6
516D22.5Very low24.8Very low156 Ų156136.9 Ų136.983%0.83481%0.808SS**  trans98.8136.1146.8-65.3-43.1000121.7
517A24.2Very low24.7Very low91 Ų91137.7 Ų137.775%0.75281%0.806SS**  trans101.195.7152.500000119.7
518M22.6Very low24.6Very low186 Ų186136.5 Ų136.592%0.91681%0.809SS**  69.8113.9128-71.8-147.7-176.800122.6
519A22.3Very low24.4Very low79 Ų79133 Ų13365%0.65380%0.804SS**  66.811412300000119.4
520F23.6Very low24.2Very low206 Ų206133.9 Ų133.990%0.90480%0.804SS**  -171139.386.6-113.7-89.9000110.8
521S20.5Very low24.4Very low102 Ų102132.1 Ų132.171%0.71380%0.801SS**  trans-69.4159.4179.1-49.30000113.2
522I24.7Very low24.4Very low170 Ų170128.7 Ų128.787%0.87280%0.797SS**  -164134.8116.1-89.6150.9000109.3
523E22.6Very low24.2Very low181 Ų181124.1 Ų124.185%0.84679%0.79SS**  trans-61.1167.6179.2-59.3164.614000112.2
524A24.1Very low24.1Very low87 Ų87129 Ų12972%0.71980%0.795SS**  cis-166.2134.938.200000112.2
525S25.9Very low24.1Very low114 Ų114131.7 Ų131.780%0.79779%0.794SS**  40.5170.5121.1-43.80000122.3
526P34.3Very low24Very low108 Ų108135.8 Ų135.870%0.70181%0.805SS**  -134.5-179.1-92.935.2-13.2000113
527Q24.3Very low23.9Very low184 Ų184133.2 Ų133.286%0.8680%0.797SS**  trans159.2114.5142-89.4165.65.500110.1
528A23.9Very low23.9Very low101 Ų101135.6 Ų135.684%0.83580%0.802SS**  77.5133.992.500000111.7
529A24.2Very low24Very low98 Ų98135 Ų13581%0.8180%0.796SS**  cis-160.1158.412.700000109.2
530A22.5Very low24.2Very low91 Ų91135.6 Ų135.675%0.75280%0.795SS**  trans-84.9165.8158.600000109.2
531P31.6Very low24.2Very low122 Ų122135.2 Ų135.279%0.79280%0.797SS**  -155.4167.27638.1-16.8000118.2
532A24.1Very low24.3Very low99 Ų99136.5 Ų136.582%0.81880%0.8SS**  trans69.8144.2147.600000119.6
533A20.9Very low24.2Very low83 Ų83135.8 Ų135.869%0.68680%0.798SS**  cis179.8127.8-19.500000103.3
534Y22.1Very low24.2Very low235 Ų235139 Ų13992%0.92280%0.803SS**  trans-162.6142.2152.6-108.4-76.2000110.9
535Q21.8Very low24.1Very low179 Ų179146.3 Ų146.384%0.83681%0.812SS**  trans-72.5156.1-159.2-72.2163-47.500116.1
536M20.6Very low24.1Very low179 Ų179145.6 Ų145.688%0.88281%0.807SS**  trans-56.5147.4169.3-70-82.2140.900113.8
537P21.3Very low23.5Very low103 Ų103144.5 Ų144.567%0.66982%0.815SS**  trans-115.4137133.523.9-9.1000111.1H539P537-H539 PolarHBondContact O-N 3.22Å
538V25.2Very low23.8Very low141 Ų141141.8 Ų141.886%0.85581%0.81SS**  trans-54.9119.9170.6175.50000109.7
539H24.3Very low24.1Very low173 Ų173142.2 Ų142.280%0.80180%0.797SS**  trans-110.7114.7159.6-93-55.8000110.4P537P537-H539 PolarHBondContact O-N 3.22Å
540S25Very low24.1Very low91 Ų91143.3 Ų143.364%0.63679%0.793SS**  trans-35.5136.7160.948.20000113.5T542S540-T542 PolarHBondContact O-N 3.26Å
541Q23.5Very low24.5Very low198 Ų198148.3 Ų148.393%0.92579%0.794SS**  trans-36.4117.9166-80.3170.1-27.400111.4
542T23.4Very low24.1Very low129 Ų129150.7 Ų150.779%0.79180%0.799SS**  trans-69129.5176.726.10000111S540 W544S540-T542 PolarHBondContact O-N 3.26Å; T542-W544 PolarHBondContact O-N 3.39Å
543D23.1Very low24.2Very low155 Ų155154.3 Ų154.383%0.82980%0.799SS**  trans-51.3127.7170-83.2-44.7000112.6R545D543-R545 PolarHBondContact O-N 3.26Å
544W21.3Very low24.4Very low249 Ų249153.7 Ų153.794%0.94380%0.801SS**  trans-68.798.7170.1-72.594.4000110.2T542 S546T542-W544 PolarHBondContact O-N 3.39Å; W544-S546 PolarHBondContact O-N 3.4Å
545R22.4Very low24.4Very low241 Ų241149.9 Ų149.991%0.90980%0.796SS**  trans-59.5118.9170.7-69.2-176.7175.4-169.2-0.6109.9D543 G547D543-R545 PolarHBondContact O-N 3.26Å; R545-G547 PolarHBondContact O-N 3.09Å; R545-G547 VanDerWaalsContact O-N 3.09Å
546S26.1Very low24.6Very low99 Ų99146.9 Ų146.969%0.69279%0.792SS**  trans-61.9108.7165-72.80000109.4W544 V548W544-S546 PolarHBondContact O-N 3.4Å; S546-V548 PolarHBondContact O-N 3.18Å
547G22.9Very low24.9Very low84 Ų84147.6 Ų147.687%0.86679%0.793SS**  trans-68.692.1169.300000110.4R545R545-G547 PolarHBondContact O-N 3.09Å; R545-G547 VanDerWaalsContact O-N 3.09Å
548V30.5Very low24.9Very low127 Ų127150.8 Ų150.877%0.7781%0.805SS**PPolyproline II helixtrans-88124157.3176.70000106S546 V550S546-V548 PolarHBondContact O-N 3.18Å; V548-V550 PolarHBondContact O-N 3.26Å
549M28.3Very low24.8Very low110 Ų110149.6 Ų149.654%0.54280%0.803SS.*PPolyproline II helixtrans-48.9120.9-169.8-115.4-169.2-83.600113
550V25.5Very low24.8Very low121 Ų121147.8 Ų147.873%0.73380%0.804SS**PPolyproline II helixtrans-74.4129.5174.7179.10000108.6V548V548-V550 PolarHBondContact O-N 3.26Å
551Y30.1Very low24.6Very low197 Ų197148.1 Ų148.177%0.77381%0.806SS**  trans-92.8112.5162.2-72.8-85.4000107.5Q553Y551-Q553 PolarHBondContact O-N 3.03Å
552L23.8Very low24.6Very low171 Ų171145.2 Ų145.290%0.89580%0.802SS**PPolyproline II helixtrans-60.2116.9175.2-85.4152.3000109.8
553Q26.5Very low24.7Very low176 Ų176147.6 Ų147.682%0.82280%0.804SS**PPolyproline II helixtrans-79.8125.7168.5-166.5168-12.800106.9Y551 D555Y551-Q553 PolarHBondContact O-N 3.03Å; Q553-D555 PolarHBondContact O-N 3.49Å
554G25.1Very low24.7Very low70 Ų70149.7 Ų149.772%0.72281%0.806SS**PPolyproline II helixtrans-66.9125.4169.700000109.1
555D22.7Very low24.8Very low155 Ų155146.2 Ų146.283%0.82980%0.8SS**PPolyproline II helixtrans-61.7136.4175.1-77.2-40.5000111Q553Q553-D555 PolarHBondContact O-N 3.49Å
556P25.7Very low24.7Very low115 Ų115141.1 Ų141.175%0.74780%0.795SS**PPolyproline II helixtrans-78121164.629.7-27.2000109.2N558P556-N558 PolarHBondContact O-N 3.19Å
557Q25.6Very low24.9Very low195 Ų195141.6 Ų141.691%0.91180%0.796SS**PPolyproline II helixtrans-62.8121170.3-76.4-175.9-20.700110.4
558N21.8Very low24.8Very low170 Ų170141.8 Ų141.891%0.90978%0.784SS**PPolyproline II helixtrans-68.9122161.6-91.2-22000109.4P556P556-N558 PolarHBondContact O-N 3.19Å
559S24.3Very low24.5Very low116 Ų116146.4 Ų146.481%0.81179%0.789SS**  trans-124.3112157.863.40000109.6
560T23.2Very low24.1Very low134 Ų134145.1 Ų145.182%0.82280%0.796SS**  trans-68.5123.9174.423.40000112.7
561S21.3Very low24.4Very low99 Ų99145.2 Ų145.269%0.69280%0.8SS**  trans21.2134.5144.161.50000122
562T23.8Very low24Very low136 Ų136140.5 Ų140.583%0.83480%0.801SS**  -165.1128.1118.515.90000113.8
563H23.8Very low23.9Very low179 Ų179139.1 Ų139.183%0.82980%0.8SS**  trans9.1132.2158.7-69.4-72.6000123.2
564K24.3Very low23.8Very low199 Ų199136.6 Ų136.687%0.86580%0.802SS**  -177.5163.4104.5-97.6178.3-177.9-179.20113.3
565Q23Very low23.5Very low177 Ų177141.3 Ų141.383%0.82781%0.807SS**  trans-69.1138.7-159.4-67.2147-43.100117.6
566V20.3Very low23.6Very low134 Ų134142.8 Ų142.881%0.81281%0.811SS**  22.4151.6118.8-173.40000118.9
567P31.5Very low23.4Very low109 Ų109148.5 Ų148.571%0.70882%0.818SS**  cis-138.5174.23.223.61.8000118.8
568S20.8Very low23.1Very low88 Ų88150.2 Ų150.262%0.61582%0.818SS**  trans67.9126.8138.4-173.20000121
569Y23.8Very low23.2Very low223 Ų223149 Ų14988%0.87582%0.816SS**  173135.7108.8-96.9-79.2000110.4
570A20.5Very low23Very low84 Ų84152.4 Ų152.469%0.69482%0.82SS**  trans-120178.8156.500000106.6
571P30.9Very low23Very low123 Ų123151.8 Ų151.880%0.79982%0.821SS**  cis-127.2173.3-20.635.6-19.1000111.6
572A22Very low23.1Very low97 Ų97152.4 Ų152.480%0.80283%0.825SS**  trans-174.2125.4142.100000113.4
573T21.1Very low23.3Very low142 Ų142151.7 Ų151.787%0.87182%0.823SS**  trans-47.7144.6156.933.20000115.2
574S23.4Very low23.4Very low123 Ų123152.3 Ų152.386%0.8683%0.826SS**  trans-152.8132.4141.5-166.60000112
575M20.8Very low23.6Very low170 Ų170150.2 Ų150.284%0.83782%0.823SS**  trans-70149.3170.4-63179.2-163.100110.9
576M22.7Very low23.9Very low186 Ų186147.9 Ų147.992%0.91682%0.823SS**  trans-142.1131.7141.1-91.2-147.4174.700111.8
577R21.6Very low24.2Very low235 Ų235144.6 Ų144.689%0.88782%0.816SS**  trans-76146.6173.8-73.5175.9173.6175.5-2.8110.3
578Y21.2Very low24.8Very low230 Ų230145.9 Ų145.990%0.90282%0.824SS**  trans-89.3137.3166.8-81.8-91.4000111
579T22Very low25.1Very low144 Ų144146.7 Ų146.788%0.88384%0.837SS**  trans-138.4145.5157.638.20000111.1
580Q22.1Very low25.3Very low188 Ų188144 Ų14488%0.87984%0.837SS**  trans-58.3159.4-166.4-67.5161.5-32.800117.9
581S22.4Very low25.6Very low121 Ų121148.9 Ų148.985%0.84685%0.845SS**  -173.8137.8118.434.30000112.8
582S23.4Very low25.5Very low113 Ų113153 Ų15379%0.7985%0.85SS**  trans-73.7170.3167.9-49.10000111.7
583P28.4Very low25.6Very low120 Ų120151.4 Ų151.478%0.77984%0.843SS**  -151143.699.634.5-15.1000117.8
584Q25Very low25.7Very low192 Ų192154.4 Ų154.490%0.89785%0.845SS**  trans37.8147136-67.9-173.7-18.200126.2
585I29.4Very low25.9Very low155 Ų155156.7 Ų156.780%0.79584%0.842SS**  trans-69.4162.4-179.2-56.3156.2000113.4
586P29.4Very low26.2Very low129 Ų129156.1 Ų156.184%0.83884%0.837SS**  -141.4152117.433.5-17.6000114.8
587G25.5Very low26.4Very low64 Ų64154.4 Ų154.466%0.6683%0.826SS**  trans-140.4-167.3156.900000108.6
588P44.7Very low27.3Very low136 Ų136148.2 Ų148.288%0.88382%0.816SS**  cis-123.5178.6-35.537.5-21.8000112
589A27.3Very low27.6Very low106 Ų106142.8 Ų142.888%0.87681%0.807SS**  trans-146.5145166.500000113.5
590L27.7Very low27.8Very low167 Ų167142.5 Ų142.587%0.87481%0.805SS**  trans-92.3156.6-169-75.7128.6000115.1
591Q25.8Very low28.1Very low185 Ų185141.9 Ų141.986%0.86480%0.802SS**  trans-170.5109.8131.3-105.2172.2-2.100109.4
592K28.9Very low28.3Very low209 Ų209142.9 Ų142.991%0.90980%0.803SS**  46.4129.3104.3-72.8-172.5176.7-175.90114.4
593G24.3Very low28.5Very low64 Ų64143.2 Ų143.266%0.6681%0.806SS**  cis150.9146.27.400000107.9
594F24.5Very low28.4Very low205 Ų205140.9 Ų140.990%0.89980%0.804SS**  trans-160.8158.4150.4-99.2-67000110.2
595E26.1Very low28.6Very low172 Ų172141.8 Ų141.880%0.80480%0.804SS**  trans-101.7159.1-135.6-64.9166.7135.400116.6
596H28.2Very low28.6Very low158 Ų158145.7 Ų145.773%0.73181%0.809SS**  trans-32.9160.5149.7-76.4-71.5000115.5
597H26.7Very low28.8Very low150 Ų150145.8 Ų145.869%0.69481%0.81SS**  cis-179.1-170.617.7-111.5-39.7000106.1
598P39.7Very low29Very low105 Ų105150 Ų15068%0.68282%0.817SS**  cis-136.5164.5-1728.8-5.7000116.5
599V28.1Very low28.3Very low116 Ų116152.7 Ų152.770%0.70382%0.818SS**  trans18.6131.3136.3-170.70000120.9
600T25.9Very low28.5Very low138 Ų138154.5 Ų154.585%0.84781%0.813SS**  trans-148.1118.6136.8-18.30000111.4
601Q29.2Very low28.7Very low174 Ų174152.1 Ų152.181%0.81381%0.81SS**  trans-73.1144.1162.8-73.5174.6-19.100109.3
602T26.1Very low28.8Very low142 Ų142147 Ų14787%0.87181%0.808SS**  trans-151.2132.2143.929.10000111.7
603S27.9Very low28.9Very low121 Ų121146.9 Ų146.985%0.84681%0.81SS**  trans-74153.7169.552.90000113.2
604G26.6Very low29.1Very low71 Ų71147.1 Ų147.173%0.73281%0.812SS**  trans-177.491.6157.700000109.8
605K28.1Very low29.5Very low210 Ų210149.4 Ų149.491%0.91381%0.814SS**  46.7118.491.2-81.7-170.6177.5-179.90114.8
606R29.8Very low29.7Very low238 Ų238144.6 Ų144.690%0.89881%0.811SS**  trans-43.3160.8168.1-65.3175.8-179.1170.9-1.2113.4
607P34.1Very low30.2Very low131 Ų131143.4 Ų143.485%0.85182%0.817SS**  -120.8148.7125.627.1-12.7000112.1
608N29.8Very low30.5Very low152 Ų152145.5 Ų145.581%0.81383%0.825SS**  trans-108.9134171.2-156.836.6000105.4
609E29.9Very low30.2Very low193 Ų193148.7 Ų148.790%0.90283%0.834SS**  trans169.8155150.9-100.8174.5-16100107.9
610D31.1Very low30.4Very low144 Ų144151.3 Ų151.377%0.7784%0.839SS**  cis-171.6157.6-49.9-166.66.1000103.4
611S31.1Very low30.7Very low117 Ų117156.2 Ų156.282%0.81884%0.842SS**  trans71.3128.6163.776.80000121.3
612G28.1Very low31Very low78 Ų78157.1 Ų157.180%0.80485%0.846SS**  trans165.685.4165.600000115.2
613H31.1Very low31.3Very low206 Ų206155.1 Ų155.195%0.95484%0.838SS**  trans-48153.9177.2-70.6-31.3000117.5
614G29.2Very low32.1Very low68 Ų68155.9 Ų155.970%0.70183%0.832SS**  trans149.495.2135.500000119.5
615R32.8Very low32.7Very low253 Ų253164.7 Ų164.796%0.95585%0.854SS**  trans60.7122.5140.9-61.9-177-176.6-161.20.8120.5
616G30.6Very low32.9Very low72 Ų72162.5 Ų162.574%0.74285%0.851SS**  trans-71.4-170.7163.600000114.4
617P38.4Very low33.1Very low132 Ų132158.5 Ų158.586%0.85785%0.849SS**  -136.8154.293.535.8-22.8000115.6
618K32.9Very low33.1Very low194 Ų194160 Ų16084%0.84385%0.849SS**  trans-69.5141.1168.9-65.9171.6173.9177.70110.3
619I32.7Very low33.3Very low173 Ų173160.5 Ų160.589%0.88785%0.851SS**  trans-118.1120.9150.7-67.6178.8000107.5
620Q32.4Very low33.5Very low170 Ų170158.4 Ų158.479%0.79485%0.847SS**  trans-97.6132.7-171.8-171.2171.5-200108.7Q622Q620-Q622 PolarHBondContact O-N 3.33Å
621R32.9Very low33.6Very low242 Ų242159.4 Ų159.491%0.91385%0.853SS**  trans-53.9130.1162.9-90.1176.3165.5175.8-5109.7
622Q34.8Very low33.8Very low193 Ų193162.4 Ų162.490%0.90286%0.855SS**  trans-112119.7154.3-85.8-174.2-10.700108.8Q620Q620-Q622 PolarHBondContact O-N 3.33Å
623S34.2Very low34.2Very low100 Ų100168.9 Ų168.970%0.69986%0.859SS**  trans-74.3142.3151.548.40000109.2
624N42.8Very low34.5Very low137 Ų137165.8 Ų165.873%0.73385%0.851SS**  -178.9140.7127.9-94.5-2.9000112.6
625H40.4Very low35Very low256 Ų256174.7 Ų174.7100%1.18587%0.865SS**  trans77.70161.5-65.8-54.1000120.1

Retrieved 625 of 625 residues in 470.7 ms (Link to these results)

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