A0A068B426_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A068B426, Species HUMAN (Homo sapiens, Human), Gene HLA-A, Length 181 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
1S94.6Very high98.3Very high106 Ų10637.9 Ų37.974%0.74121%0.207SC*.  0153.5043.30000107.2V102S1-V102 VanDerWaalsContact CA-O 3.28Å; S1-V102 WeakPolarHBondContact CA-O 3.45Å; S1-V102 WeakPolarHBondContact CB-O 3.17Å
2H97.9Very high98.2Very high46 Ų4636.3 Ų36.321%0.21320%0.201CC..EExtended strand (participates in β ladder)trans-139.3160.9-179.3-65.8-77.6000110.3D28 D101 V102 L167 L171H2-D28 WeakPolarHBondContact CA-OD1 3.27Å; H2-D28 IonicContact CE1-OD2 2.68Å; H2-D28 IonicContact CG-OD2 3.94Å; H2-D28 IonicContact ND1-OD1 3.51Å; H2-D28 IonicContact ND1-OD2 2.7Å; H2-D28 PolarHBondContact ND1-OD2 3.24Å; H2-D101 WeakPolarHBondContact O-CA 3.38Å; H2-V102 HydrophobicContact CB-CG2 3.99Å; H2-V102 PolarHBondContact N-O 2.81Å; H2-V102 VanDerWaalsContact N-O 3.07Å; H2-V102 PolarHBondContact O-N 3.2Å; H2-L167 HydrophobicContact CB-CD1 4.35Å; H2-L167 HydrophobicContact CB-CD2 4.49Å; H2-L171 HydrophobicContact CB-CD1 3.64Å; H2-L171 HydrophobicContact CB-CD2 3.99Å; H2-L171 HydrophobicContact CB-CG 4.38Å; H2-L171 VanDerWaalsContact CG-CD2 3.49Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.46Å
3S98.5Very high98Very high25 Ų2538.6 Ų38.618%0.17521%0.205CC..EExtended strand (participates in β ladder)trans-135150.9178.664.70000111.6V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.53Å; S3-V27 WeakPolarHBondContact O-CA 3.43Å; S3-D28 PolarHBondContact N-OD1 2.79Å; S3-D28 PolarHBondContact O-N 3.32Å; S3-C100 WeakPolarHBondContact CA-O 3.47Å; S3-D101 VanDerWaalsContact CB-OD1 3.26Å; S3-D101 WeakPolarHBondContact CB-OD1 3.4Å
4M98.8Very high97.5Very high1 Ų139.6 Ų39.61%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-124128.8165.6-174170.159.700108.3Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.23Å; M4-Y6 HydrophobicContact CG-CE2 4.11Å; M4-Y6 HydrophobicContact SD-CE2 4Å; M4-Y26 CarbonylContact C-O 3.56Å; M4-Y26 VanDerWaalsContact CA-O 3.3Å; M4-Y26 WeakPolarHBondContact CA-O 3.28Å; M4-V27 HydrophobicContact CG-CG2 4.42Å; M4-F32 HydrophobicContact CG-CE1 4.48Å; M4-F32 HydrophobicContact SD-CZ 4.37Å; M4-G99 CarbonylContact O-C 3.6Å; M4-G99 WeakPolarHBondContact O-CA 3.02Å; M4-C100 PolarHBondContact N-O 3.25Å; M4-C100 PolarHBondContact O-N 2.81Å; M4-C163 HydrophobicContact CE-CB 4.16Å; M4-C163 WeakPolarHBondContact CE-O 3.44Å; M4-C163 WeakPolarHBondContact CE-SG 3.5Å; M4-W166 HydrophobicContact CE-CB 4.18Å; M4-L167 HydrophobicContact CB-CB 4.11Å; M4-L167 HydrophobicContact CB-CD1 4.05Å; M4-L167 HydrophobicContact CB-CD2 4.15Å; M4-L167 HydrophobicContact CB-CG 4.32Å; M4-L167 HydrophobicContact CE-CB 4.41Å; M4-Y170 HydrophobicContact SD-CD2 3.78Å; M4-Y170 HydrophobicContact SD-CE2 3.6Å; M4-Y170 VanDerWaalsContact SD-CE2 3.6Å
5R98.8Very high97.1Very high48 Ų4843 Ų4318%0.18126%0.262CS..EExtended strand (participates in β ladder)trans-133.2137.5-179.8-61.3-64.1176.688.210.5111.1F7 G25 Y26 Y98 D101 Y112R5-F7 HydrophobicContact CB-CD2 4.39Å; R5-F7 HydrophobicContact CB-CE2 3.58Å; R5-F7 HydrophobicContact CB-CZ 3.93Å; R5-G25 CarbonylContact O-C 3.58Å; R5-G25 WeakPolarHBondContact O-CA 3.26Å; R5-Y26 PolarHBondContact N-O 2.82Å; R5-Y26 PolarHBondContact O-N 3.27Å; R5-Y98 WeakPolarHBondContact CA-O 3.38Å; R5-D101 IonicContact CZ-OD1 2.87Å; R5-D101 IonicContact NE-OD1 3.23Å; R5-D101 IonicContact NH2-OD1 3.66Å; R5-D101 PolarHBondContact NH2-OD1 3.11Å; R5-D101 IonicContact NH2-OD2 3.71Å; R5-D101 PolarHBondContact NH2-OD2 3.35Å; R5-Y112 PolarHBondContact NH2-OH 2.99Å
6Y98.9Very high96.7Very high12 Ų1253.6 Ų53.65%0.04730%0.296CS..EExtended strand (participates in β ladder)trans-112.6140166.8-69.7-90.4000109.3M4 Y8 V24 F32 V33 M97 Y98M4-Y6 HydrophobicContact CE-CE2 4.23Å; M4-Y6 HydrophobicContact CG-CE2 4.11Å; M4-Y6 HydrophobicContact SD-CE2 4Å; Y6-Y8 HydrophobicContact CD1-CE1 4.36Å; Y6-V24 CarbonylContact C-O 3.59Å; Y6-V24 VanDerWaalsContact CA-O 3.32Å; Y6-V24 WeakPolarHBondContact CA-O 3.42Å; Y6-F32 HydrophobicContact CE1-CZ 4.11Å; Y6-F32 AromaticContact CZ-CZ 3.81Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.22Å; Y6-V33 HydrophobicContact CE1-CG2 4Å; Y6-M97 WeakPolarHBondContact O-CA 2.96Å; Y6-Y98 VanDerWaalsContact CB-CZ 3.46Å; Y6-Y98 HydrophobicContact CD2-CD2 4.31Å; Y6-Y98 AromaticContact CD2-CE2 3.51Å; Y6-Y98 HydrophobicContact CD2-CE2 3.51Å; Y6-Y98 AromaticContact CD2-CZ 3.72Å; Y6-Y98 HydrophobicContact CE2-CE2 4.31Å; Y6-Y98 HydrophobicContact CG-CE1 4.32Å; Y6-Y98 AromaticContact CG-CE2 3.97Å; Y6-Y98 HydrophobicContact CG-CE2 3.97Å; Y6-Y98 AromaticContact CG-CZ 3.69Å; Y6-Y98 PolarHBondContact N-O 2.84Å; Y6-Y98 PolarHBondContact O-N 3.29Å; Y6-Y98 VanDerWaalsContact O-N 3.11Å
7F98.9Very high96.4Very high82 Ų8253.9 Ų53.936%0.3632%0.315SS..EExtended strand (participates in β ladder)trans-125.5118.1176.3-57.2-95.5000108.7R5 A23 V24 Y26 M96 M97R5-F7 HydrophobicContact CB-CD2 4.39Å; R5-F7 HydrophobicContact CB-CE2 3.58Å; R5-F7 HydrophobicContact CB-CZ 3.93Å; F7-A23 WeakPolarHBondContact O-CA 3.24Å; F7-V24 HydrophobicContact CB-CG2 3.82Å; F7-V24 HydrophobicContact CD2-CG2 4.26Å; F7-V24 HydrophobicContact CG-CG2 4.49Å; F7-V24 PolarHBondContact N-O 2.93Å; F7-V24 PolarHBondContact O-N 3.14Å; F7-Y26 AromaticContact CD2-CD2 4Å; F7-Y26 HydrophobicContact CD2-CD2 4Å; F7-Y26 HydrophobicContact CD2-CE2 4.39Å; F7-Y26 AromaticContact CE2-CD2 3.95Å; F7-Y26 HydrophobicContact CE2-CD2 3.95Å; F7-M96 CarbonylContact C-O 3.55Å; F7-M96 WeakPolarHBondContact CA-O 3.33Å; F7-M97 HydrophobicContact CD1-CB 4Å; F7-M97 HydrophobicContact CD1-CG 3.65Å; F7-M97 HydrophobicContact CE1-CB 4.16Å; F7-M97 HydrophobicContact CE1-CG 3.38Å; F7-M97 HydrophobicContact CG-CG 4.5Å; F7-M97 HydrophobicContact CZ-CG 4.04Å
8Y98.8Very high96.2Very high15 Ų1556.7 Ų56.76%0.05932%0.324CS..EExtended strand (participates in β ladder)trans-107.7143.5174.6-56.4-17.8000109.4Y6 F21 I22 A23 Q69 Q95 M96 Y98Y6-Y8 HydrophobicContact CD1-CE1 4.36Å; Y8-F21 HydrophobicContact CD1-CZ 4.16Å; Y8-F21 HydrophobicContact CD2-CE2 4.32Å; Y8-F21 AromaticContact CD2-CZ 3.95Å; Y8-F21 HydrophobicContact CD2-CZ 3.95Å; Y8-F21 HydrophobicContact CE2-CZ 4.42Å; Y8-F21 HydrophobicContact CG-CE2 4.18Å; Y8-F21 AromaticContact CG-CZ 3.76Å; Y8-F21 HydrophobicContact CG-CZ 3.76Å; Y8-I22 CarbonylContact C-O 3.45Å; Y8-I22 WeakPolarHBondContact CA-O 3.47Å; Y8-A23 HydrophobicContact CD1-CB 3.29Å; Y8-A23 HydrophobicContact CE1-CB 3.36Å; Y8-A23 HydrophobicContact CG-CB 4.3Å; Y8-Q69 HydrophobicContact CD2-CG 3.69Å; Y8-Q69 HydrophobicContact CE2-CB 4.39Å; Y8-Q69 HydrophobicContact CE2-CG 3.79Å; Y8-Q95 VanDerWaalsContact O-CA 3.32Å; Y8-Q95 WeakPolarHBondContact O-CA 3.18Å; Y8-M96 HydrophobicContact CD2-SD 4.12Å; Y8-M96 PolarHBondContact N-O 3.4Å; Y8-M96 PolarHBondContact O-N 2.85Å; Y8-Y98 HydrophobicContact CD2-CE1 4.15Å; Y8-Y98 HydrophobicContact CE1-CE1 4.21Å; Y8-Y98 AromaticContact CE2-CE1 3.57Å; Y8-Y98 HydrophobicContact CE2-CE1 3.57Å; Y8-Y98 AromaticContact CZ-CE1 3.63Å; Y8-Y98 AromaticContact CZ-CZ 3.98Å; Y8-Y98 PolarHBondContact OH-OH 2.82Å
9T98.8Very high96.2Very high36 Ų3655.1 Ų55.122%0.22132%0.316CS..EExtended strand (participates in β ladder)trans-141.2121.8176.9-62.50000108.5V11 F21 I22 T93 I94 Q95T9-V11 HydrophobicContact CG2-CG2 3.99Å; T9-F21 CarbonylContact O-C 3.57Å; T9-F21 WeakPolarHBondContact O-CA 3.38Å; T9-I22 PolarHBondContact N-O 3.15Å; T9-I22 PolarHBondContact O-N 3.46Å; T9-T93 HydrophobicContact CG2-CG2 3.89Å; T9-I94 WeakPolarHBondContact CA-O 3.42Å; T9-Q95 HydrophobicContact CG2-CG 4.24Å
10S98.6Very high96.3Very high1 Ų156.7 Ų56.71%0.00732%0.317CS..EExtended strand (participates in β ladder)trans-118121.6176-169.90000109.7R20 D73 L77 T93 I94S10-R20 CarbonylContact C-O 3.58Å; S10-R20 VanDerWaalsContact CA-O 3.27Å; S10-R20 WeakPolarHBondContact CA-O 3.35Å; S10-D73 WeakPolarHBondContact CB-OD2 3.02Å; S10-L77 WeakPolarHBondContact OG-CD1 3.34Å; S10-T93 CarbonylContact O-C 3.59Å; S10-T93 VanDerWaalsContact O-CA 3.3Å; S10-T93 WeakPolarHBondContact O-CA 3.22Å; S10-I94 PolarHBondContact N-O 3.35Å; S10-I94 PolarHBondContact O-N 3.28Å
11V98.4Very high96.5Very high45 Ų4554 Ų5427%0.27330%0.302SS..EExtended strand (participates in β ladder)trans-117.1116.4-176.8-174.70000109.2T9 P19 R20 H92 T93T9-V11 HydrophobicContact CG2-CG2 3.99Å; V11-P19 CarbonylContact O-C 3.59Å; V11-P19 WeakPolarHBondContact O-CA 3.34Å; V11-P19 WeakPolarHBondContact O-CB 3.27Å; V11-R20 PolarHBondContact N-O 3.37Å; V11-R20 PolarHBondContact O-N 2.87Å; V11-H92 WeakPolarHBondContact CA-O 3.46Å; V11-T93 HydrophobicContact CG2-CG2 4.05Å
12S97.6Very high96.7Very high19 Ų1950.7 Ų50.713%0.13328%0.275CS..  trans-70143.9173.875.60000110.9S91 H92S12-S91 WeakPolarHBondContact O-CB 3.36Å; S12-S91 PolarHBondContact O-OG 3.32Å; S12-H92 PolarHBondContact N-O 3.2Å; S12-H92 PolarHBondContact OG-N 3.22Å; S12-H92 PolarHBondContact OG-O 2.88Å
13R95.8Very high96.7Very high66 Ų6648.5 Ų48.525%0.24927%0.265CS..  trans-132.974-175.4-57.2-179.9-73.2-165.6-10110.8G15 R16 E18 D38R13-G15 PolarHBondContact O-N 3.32Å; R13-R16 HydrophobicContact CB-CB 4.03Å; R13-R16 PolarHBondContact O-N 2.73Å; R13-E18 VanDerWaalsContact CZ-O 3.3Å; R13-E18 PolarHBondContact NE-O 3.27Å; R13-E18 PolarHBondContact NH2-O 2.94Å; R13-D38 IonicContact CZ-OD1 2.62Å; R13-D38 IonicContact CZ-OD2 2.81Å; R13-D38 IonicContact NH1-OD1 3.17Å; R13-D38 PolarHBondContact NH1-OD1 2.89Å; R13-D38 IonicContact NH1-OD2 3.59Å; R13-D38 PolarHBondContact NH1-OD2 3.48Å; R13-D38 IonicContact NH2-OD1 3.27Å; R13-D38 PolarHBondContact NH2-OD1 3.07Å; R13-D38 IonicContact NH2-OD2 3.84Å
14P91.4Very high96.7Very high53 Ų5348.4 Ų48.434%0.34426%0.263SS..THydrogen-bonded Turntrans-50.6128.6-178.1-25.233000112R16 E88 G90P14-R16 PolarHBondContact O-N 2.79Å; P14-E88 WeakPolarHBondContact CG-O 3.04Å; P14-G90 WeakPolarHBondContact CG-O 3.38Å
15G90.5Very high96.7Very high90 Ų9048.3 Ų48.393%0.92826%0.263SS*.THydrogen-bonded Turntrans72.24.7-178.500000115.9R13R13-G15 PolarHBondContact O-N 3.32Å
16R91.6Very high96.7Very high213 Ų21349.4 Ų49.480%0.80427%0.267SS*.SBendtrans-127.223.9-179.3-57.7-177.3-179.6-176.40.1113.3R13 P14R13-R16 HydrophobicContact CB-CB 4.03Å; R13-R16 PolarHBondContact O-N 2.73Å; P14-R16 PolarHBondContact O-N 2.79Å
17G90.8Very high96.7Very high59 Ų5948.8 Ų48.861%0.60827%0.265SS*.SBendtrans92.9-159.117700000113.9
18E93.4Very high96.6Very high104 Ų10446.6 Ų46.649%0.48626%0.257SS..SBendtrans-66.1155.9-177.2-64.7-64.5157.900112.4R13 R20 R74R13-E18 VanDerWaalsContact CZ-O 3.3Å; R13-E18 PolarHBondContact NE-O 3.27Å; R13-E18 PolarHBondContact NH2-O 2.94Å; E18-R20 PolarHBondContact O-N 3.06Å; E18-R74 IonicContact OE1-NH1 3.15Å; E18-R74 PolarHBondContact OE1-NH1 2.97Å; E18-R74 WeakPolarHBondContact OE2-CD 3.49Å; E18-R74 IonicContact OE2-CZ 3.44Å; E18-R74 IonicContact OE2-NE 3.05Å; E18-R74 IonicContact OE2-NH1 2.8Å; E18-R74 PolarHBondContact OE2-NH1 3.5Å
19P96.9Very high96.5Very high26 Ų2653.6 Ų53.617%0.16930%0.295CS..PPolyproline II helixtrans-53.1140.6172.4-25.335000112.2V11 R74 L77V11-P19 CarbonylContact O-C 3.59Å; V11-P19 WeakPolarHBondContact O-CA 3.34Å; V11-P19 WeakPolarHBondContact O-CB 3.27Å; P19-R74 HydrophobicContact CG-CB 4.27Å; P19-R74 HydrophobicContact CG-CG 4.28Å; P19-L77 HydrophobicContact CB-CD1 3.58Å; P19-L77 HydrophobicContact CG-CD1 3.59Å
20R98.3Very high96.5Very high87 Ų8754.5 Ų54.533%0.32830%0.301SS..EExtended strand (participates in β ladder)trans-80.7125.6171.3-172.7178.4-178.8-178.1-1.6108.6S10 V11 E18 I22 D36 S37 D38S10-R20 CarbonylContact C-O 3.58Å; S10-R20 VanDerWaalsContact CA-O 3.27Å; S10-R20 WeakPolarHBondContact CA-O 3.35Å; V11-R20 PolarHBondContact N-O 3.37Å; V11-R20 PolarHBondContact O-N 2.87Å; E18-R20 PolarHBondContact O-N 3.06Å; R20-I22 HydrophobicContact CG-CG1 4.35Å; R20-D36 IonicContact CZ-OD1 2.72Å; R20-D36 IonicContact CZ-OD2 3.75Å; R20-D36 IonicContact NE-OD1 3.7Å; R20-D36 PolarHBondContact NE-OD1 2.89Å; R20-D36 IonicContact NE-OD2 2.92Å; R20-D36 IonicContact NH2-OD1 3.91Å; R20-D36 PolarHBondContact NH2-OD1 2.84Å; R20-D36 IonicContact NH2-OD2 3.06Å; R20-D36 PolarHBondContact NH2-OD2 3.36Å; R20-S37 WeakPolarHBondContact CA-OG 3.47Å; R20-D38 VanDerWaalsContact CD-OD2 3.23Å; R20-D38 WeakPolarHBondContact CD-OD2 3.38Å; R20-D38 IonicContact NE-OD2 3.45Å; R20-D38 PolarHBondContact NE-OD2 3Å
21F98.7Very high96.5Very high1 Ų157.1 Ų57.10%0.00431%0.313CS..EExtended strand (participates in β ladder)trans-111.8126.8175.1179.4-88.5000110.5Y8 T9 A23 F35 S37 V66 Q69 S70 D73Y8-F21 HydrophobicContact CD1-CZ 4.16Å; Y8-F21 HydrophobicContact CD2-CE2 4.32Å; Y8-F21 AromaticContact CD2-CZ 3.95Å; Y8-F21 HydrophobicContact CD2-CZ 3.95Å; Y8-F21 HydrophobicContact CE2-CZ 4.42Å; Y8-F21 HydrophobicContact CG-CE2 4.18Å; Y8-F21 AromaticContact CG-CZ 3.76Å; Y8-F21 HydrophobicContact CG-CZ 3.76Å; T9-F21 CarbonylContact O-C 3.57Å; T9-F21 WeakPolarHBondContact O-CA 3.38Å; F21-A23 HydrophobicContact CE1-CB 3.68Å; F21-A23 HydrophobicContact CZ-CB 4.07Å; F21-F35 AromaticContact CD1-CD1 3.75Å; F21-F35 HydrophobicContact CD1-CD1 3.75Å; F21-F35 AromaticContact CD1-CE1 3.79Å; F21-F35 HydrophobicContact CD1-CE1 3.79Å; F21-F35 HydrophobicContact CE1-CD1 4.06Å; F21-F35 HydrophobicContact CE1-CE1 4.4Å; F21-S37 PolarHBondContact N-OG 2.94Å; F21-S37 PolarHBondContact O-N 3.4Å; F21-S37 PolarHBondContact O-OG 3.4Å; F21-V66 HydrophobicContact CE1-CB 3.99Å; F21-Q69 HydrophobicContact CE2-CB 4.36Å; F21-Q69 HydrophobicContact CE2-CG 3.84Å; F21-Q69 HydrophobicContact CZ-CB 4.13Å; F21-Q69 HydrophobicContact CZ-CG 3.92Å; F21-S70 VanDerWaalsContact CG-CB 3.47Å; F21-D73 WeakPolarHBondContact CD2-OD2 3.45Å; F21-D73 VanDerWaalsContact CE2-OD2 3.23Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.05Å
22I98.8Very high96.5Very high36 Ų3655 Ų5519%0.18530%0.3CS..EExtended strand (participates in β ladder)trans-122.2133.7174.4-59.8173.1000107.9Y8 T9 R20 V24 F35Y8-I22 CarbonylContact C-O 3.45Å; Y8-I22 WeakPolarHBondContact CA-O 3.47Å; T9-I22 PolarHBondContact N-O 3.15Å; T9-I22 PolarHBondContact O-N 3.46Å; R20-I22 HydrophobicContact CG-CG1 4.35Å; I22-V24 HydrophobicContact CG2-CG1 4.3Å; I22-F35 WeakPolarHBondContact CA-O 3.47Å
23A98.8Very high96.5Very high0 Ų054.1 Ų54.10%029%0.294CS..EExtended strand (participates in β ladder)trans-124.5135.817000000110.1F7 Y8 F21 R34 F35 V66F7-A23 WeakPolarHBondContact O-CA 3.24Å; Y8-A23 HydrophobicContact CD1-CB 3.29Å; Y8-A23 HydrophobicContact CE1-CB 3.36Å; Y8-A23 HydrophobicContact CG-CB 4.3Å; F21-A23 HydrophobicContact CE1-CB 3.68Å; F21-A23 HydrophobicContact CZ-CB 4.07Å; A23-R34 CarbonylContact O-C 3.54Å; A23-R34 VanDerWaalsContact O-CA 3.31Å; A23-R34 WeakPolarHBondContact O-CA 3.43Å; A23-F35 HydrophobicContact CB-CB 4.23Å; A23-F35 PolarHBondContact N-O 2.92Å; A23-F35 PolarHBondContact O-N 3.45Å; A23-V66 HydrophobicContact CB-CG1 4.03Å
24V98.9Very high96.7Very high22 Ų2254 Ų5413%0.13329%0.293CS..EExtended strand (participates in β ladder)trans-132.8145.6172.9-63.30000110.1Y6 F7 I22 Y26 Q31 V33 R34Y6-V24 CarbonylContact C-O 3.59Å; Y6-V24 VanDerWaalsContact CA-O 3.32Å; Y6-V24 WeakPolarHBondContact CA-O 3.42Å; F7-V24 HydrophobicContact CB-CG2 3.82Å; F7-V24 HydrophobicContact CD2-CG2 4.26Å; F7-V24 HydrophobicContact CG-CG2 4.49Å; F7-V24 PolarHBondContact N-O 2.93Å; F7-V24 PolarHBondContact O-N 3.14Å; I22-V24 HydrophobicContact CG2-CG1 4.3Å; V24-Y26 HydrophobicContact CB-CE2 4.22Å; V24-Y26 HydrophobicContact CG2-CD2 4.42Å; V24-Y26 HydrophobicContact CG2-CE2 3.86Å; V24-Q31 VanDerWaalsContact CG1-NE2 3.32Å; V24-V33 WeakPolarHBondContact CA-O 3.46Å; V24-R34 HydrophobicContact CG1-CB 4.4Å; V24-R34 HydrophobicContact CG1-CG 4.12Å
25G98.8Very high97Very high0 Ų051.5 Ų51.50%028%0.277CS..EExtended strand (participates in β ladder)trans-122.1140.2177.200000111R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.58Å; R5-G25 WeakPolarHBondContact O-CA 3.26Å; G25-Q31 WeakPolarHBondContact O-CA 3.32Å; G25-F32 WeakPolarHBondContact O-CD1 3.5Å; G25-F32 PolarHBondContact O-N 3.1Å; G25-V33 PolarHBondContact N-O 3.09Å; G25-V33 VanDerWaalsContact N-O 3.1Å
26Y98.8Very high97.4Very high70 Ų7048.1 Ų48.128%0.27524%0.238SC..EExtended strand (participates in β ladder)trans-124.9140.1178.6-75.9-99.9000110.8M4 R5 F7 V24 T30 Q31M4-Y26 CarbonylContact C-O 3.56Å; M4-Y26 VanDerWaalsContact CA-O 3.3Å; M4-Y26 WeakPolarHBondContact CA-O 3.28Å; R5-Y26 PolarHBondContact N-O 2.82Å; R5-Y26 PolarHBondContact O-N 3.27Å; F7-Y26 AromaticContact CD2-CD2 4Å; F7-Y26 HydrophobicContact CD2-CD2 4Å; F7-Y26 HydrophobicContact CD2-CE2 4.39Å; F7-Y26 AromaticContact CE2-CD2 3.95Å; F7-Y26 HydrophobicContact CE2-CD2 3.95Å; V24-Y26 HydrophobicContact CB-CE2 4.22Å; V24-Y26 HydrophobicContact CG2-CD2 4.42Å; V24-Y26 HydrophobicContact CG2-CE2 3.86Å; Y26-T30 WeakPolarHBondContact CA-O 3.44Å; Y26-Q31 HydrophobicContact CD1-CB 4.08Å; Y26-Q31 HydrophobicContact CE1-CB 3.59Å; Y26-Q31 HydrophobicContact CE1-CG 4.31Å; Y26-Q31 HydrophobicContact CE2-CB 4.21Å; Y26-Q31 HydrophobicContact CE2-CG 4.02Å
27V98.6Very high97.7Very high0 Ų038.9 Ų38.90%021%0.206CC..EExtended strand (participates in β ladder)trans-111.7118.7157.9175.10000106.1S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.53Å; S3-V27 WeakPolarHBondContact O-CA 3.43Å; M4-V27 HydrophobicContact CG-CG2 4.42Å; V27-D29 PolarHBondContact O-N 3.18Å; V27-T30 PolarHBondContact N-O 3.14Å; V27-T30 WeakPolarHBondContact O-CB 3.44Å; V27-T30 PolarHBondContact O-N 2.94Å; V27-F32 HydrophobicContact CG2-CD1 3.92Å; V27-F32 HydrophobicContact CG2-CE1 3.96Å; V27-W50 HydrophobicContact CB-CH2 4.3Å; V27-W50 HydrophobicContact CB-CZ2 4.38Å; V27-W50 HydrophobicContact CG2-CH2 3.84Å; V27-W50 HydrophobicContact CG2-CZ2 4.41Å; V27-L167 HydrophobicContact CG1-CD1 3.7Å; V27-L167 HydrophobicContact CG2-CD1 4.33Å; V27-Y170 HydrophobicContact CG2-CD2 3.84Å; V27-Y170 HydrophobicContact CG2-CG 4.34Å; V27-L171 HydrophobicContact CG1-CD2 4.06Å; V27-L178 HydrophobicContact CB-CD1 4.4Å; V27-L178 HydrophobicContact CG1-CD1 3.86Å; V27-L178 HydrophobicContact CG1-CD2 4.35Å
28D97.3Very high98Very high36 Ų3639.7 Ų39.719%0.19320%0.196CC..THydrogen-bonded Turntrans48.3-127.2-164.4-55-40.1000110.3H2 S3 T30H2-D28 WeakPolarHBondContact CA-OD1 3.27Å; H2-D28 IonicContact CE1-OD2 2.68Å; H2-D28 IonicContact CG-OD2 3.94Å; H2-D28 IonicContact ND1-OD1 3.51Å; H2-D28 IonicContact ND1-OD2 2.7Å; H2-D28 PolarHBondContact ND1-OD2 3.24Å; S3-D28 PolarHBondContact N-OD1 2.79Å; S3-D28 PolarHBondContact O-N 3.32Å; D28-T30 VanDerWaalsContact C-N 3.31Å
29D96.4Very high98.2Very high161 Ų16136.2 Ų36.286%0.86119%0.185SC*.THydrogen-bonded Turntrans-90.68.6178.6-59.6-53.6000113.3V27V27-D29 PolarHBondContact O-N 3.18Å
30T97.9Very high98.2Very high55 Ų5540.4 Ų40.434%0.33722%0.222SC..EExtended strand (participates in β ladder)trans-101.7113.5-176.5-55.50000111.5Y26 V27 D28 F32 A48 L178Y26-T30 WeakPolarHBondContact CA-O 3.44Å; V27-T30 PolarHBondContact N-O 3.14Å; V27-T30 WeakPolarHBondContact O-CB 3.44Å; V27-T30 PolarHBondContact O-N 2.94Å; D28-T30 VanDerWaalsContact C-N 3.31Å; T30-F32 PolarHBondContact O-N 3.05Å; T30-A48 HydrophobicContact CG2-CB 4.44Å; T30-L178 HydrophobicContact CG2-CD2 4.18Å
31Q98.4Very high98Very high56 Ų5638.9 Ų38.926%0.26223%0.225SC..EExtended strand (participates in β ladder)trans-67.4126171.8-167.8-177.1-4.200110.1V24 G25 Y26 V33 R47V24-Q31 VanDerWaalsContact CG1-NE2 3.32Å; G25-Q31 WeakPolarHBondContact O-CA 3.32Å; Y26-Q31 HydrophobicContact CD1-CB 4.08Å; Y26-Q31 HydrophobicContact CE1-CB 3.59Å; Y26-Q31 HydrophobicContact CE1-CG 4.31Å; Y26-Q31 HydrophobicContact CE2-CB 4.21Å; Y26-Q31 HydrophobicContact CE2-CG 4.02Å; Q31-V33 PolarHBondContact NE2-O 2.72Å; Q31-R47 HydrophobicContact CG-CB 4.24Å; Q31-R47 HydrophobicContact CG-CG 4.48Å; Q31-R47 CarbonylContact O-C 3.58Å
32F98.6Very high97.8Very high0 Ų042.9 Ų42.90%024%0.244CC..EExtended strand (participates in β ladder)trans-118.2-21.3-177.676.5-83000114.4M4 Y6 G25 V27 T30 R47 A48 W50 I51 Y170M4-F32 HydrophobicContact CG-CE1 4.48Å; M4-F32 HydrophobicContact SD-CZ 4.37Å; Y6-F32 HydrophobicContact CE1-CZ 4.11Å; Y6-F32 AromaticContact CZ-CZ 3.81Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.22Å; G25-F32 WeakPolarHBondContact O-CD1 3.5Å; G25-F32 PolarHBondContact O-N 3.1Å; V27-F32 HydrophobicContact CG2-CD1 3.92Å; V27-F32 HydrophobicContact CG2-CE1 3.96Å; T30-F32 PolarHBondContact O-N 3.05Å; F32-R47 PolarHBondContact O-N 2.78Å; F32-A48 HydrophobicContact CB-CB 4.14Å; F32-W50 HydrophobicContact CB-CH2 3.16Å; F32-W50 HydrophobicContact CB-CZ2 3.33Å; F32-W50 HydrophobicContact CB-CZ3 4.03Å; F32-W50 HydrophobicContact CD1-CH2 4.1Å; F32-W50 AromaticContact CD2-CH2 3.72Å; F32-W50 HydrophobicContact CD2-CH2 3.72Å; F32-W50 HydrophobicContact CD2-CZ3 4.02Å; F32-W50 AromaticContact CG-CH2 3.42Å; F32-W50 HydrophobicContact CG-CH2 3.42Å; F32-W50 VanDerWaalsContact CG-CH2 3.42Å; F32-W50 HydrophobicContact CG-CZ2 4.08Å; F32-W50 HydrophobicContact CG-CZ3 4.18Å; F32-I51 HydrophobicContact CD2-CB 4.39Å; F32-I51 HydrophobicContact CD2-CD1 3.91Å; F32-I51 HydrophobicContact CD2-CG1 3.98Å; F32-I51 HydrophobicContact CE2-CD1 4.21Å; F32-I51 VanDerWaalsContact O-CG2 3.27Å; F32-I51 WeakPolarHBondContact O-CG2 3.44Å; F32-Y170 HydrophobicContact CD2-CE2 4.5Å; F32-Y170 HydrophobicContact CE2-CD2 4.2Å; F32-Y170 AromaticContact CE2-CE2 3.63Å; F32-Y170 HydrophobicContact CE2-CE2 3.63Å; F32-Y170 AromaticContact CE2-CZ 3.9Å; F32-Y170 HydrophobicContact CZ-CD2 4.22Å; F32-Y170 AromaticContact CZ-CE2 3.72Å; F32-Y170 HydrophobicContact CZ-CE2 3.72Å
33V98.7Very high97.8Very high1 Ų148.6 Ų48.61%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-140.7154.1176.1-72.80000112.7Y6 V24 G25 Q31 M44 E45 I51 W59Y6-V33 HydrophobicContact CE1-CG2 4Å; V24-V33 WeakPolarHBondContact CA-O 3.46Å; G25-V33 PolarHBondContact N-O 3.09Å; G25-V33 VanDerWaalsContact N-O 3.1Å; Q31-V33 PolarHBondContact NE2-O 2.72Å; V33-M44 HydrophobicContact CB-CG 4.17Å; V33-M44 HydrophobicContact CB-SD 3.7Å; V33-M44 HydrophobicContact CG1-CG 4.23Å; V33-M44 HydrophobicContact CG1-SD 4.41Å; V33-M44 HydrophobicContact CG2-SD 4.14Å; V33-E45 WeakPolarHBondContact CA-O 3.19Å; V33-I51 HydrophobicContact CG1-CG1 4.3Å; V33-W59 HydrophobicContact CG1-CH2 4.08Å; V33-W59 HydrophobicContact CG1-CZ3 3.89Å
34R98.7Very high97.8Very high63 Ų6349.1 Ų49.124%0.23827%0.265CS..EExtended strand (participates in β ladder)trans-145.3142.4172.3-178.7176.3174.385.25.8111.3A23 V24 D36 M44 E45 R47A23-R34 CarbonylContact O-C 3.54Å; A23-R34 VanDerWaalsContact O-CA 3.31Å; A23-R34 WeakPolarHBondContact O-CA 3.43Å; V24-R34 HydrophobicContact CG1-CB 4.4Å; V24-R34 HydrophobicContact CG1-CG 4.12Å; R34-D36 IonicContact CZ-OD2 3.57Å; R34-D36 IonicContact NH2-OD2 3.64Å; R34-D36 PolarHBondContact NH2-OD2 3.19Å; R34-M44 VanDerWaalsContact C-SD 3.5Å; R34-E45 PolarHBondContact N-O 3.15Å; R34-E45 PolarHBondContact O-N 3.36Å; R34-R47 HydrophobicContact CB-CG 3.84Å
35F98.8Very high97.8Very high2 Ų250.9 Ų50.91%0.00927%0.272CS..EExtended strand (participates in β ladder)trans-128.2144.4163.2174.2-84.3000109.5F21 I22 A23 Q42 R43 M44 V66 K67F21-F35 AromaticContact CD1-CD1 3.75Å; F21-F35 HydrophobicContact CD1-CD1 3.75Å; F21-F35 AromaticContact CD1-CE1 3.79Å; F21-F35 HydrophobicContact CD1-CE1 3.79Å; F21-F35 HydrophobicContact CE1-CD1 4.06Å; F21-F35 HydrophobicContact CE1-CE1 4.4Å; I22-F35 WeakPolarHBondContact CA-O 3.47Å; A23-F35 HydrophobicContact CB-CB 4.23Å; A23-F35 PolarHBondContact N-O 2.92Å; A23-F35 PolarHBondContact O-N 3.45Å; F35-Q42 VanDerWaalsContact CE2-C 3.46Å; F35-Q42 HydrophobicContact CE2-CB 4.38Å; F35-Q42 WeakPolarHBondContact CE2-O 3.3Å; F35-Q42 HydrophobicContact CZ-CB 4.44Å; F35-R43 WeakPolarHBondContact CD2-O 3.32Å; F35-M44 HydrophobicContact CB-CE 4.15Å; F35-M44 HydrophobicContact CB-SD 3.96Å; F35-V66 HydrophobicContact CB-CG2 3.98Å; F35-V66 HydrophobicContact CD1-CB 4.36Å; F35-V66 HydrophobicContact CD1-CG2 3.99Å; F35-V66 HydrophobicContact CD2-CB 4.48Å; F35-V66 HydrophobicContact CD2-CG2 3.34Å; F35-V66 HydrophobicContact CE1-CG2 4.32Å; F35-V66 HydrophobicContact CE2-CG2 3.7Å; F35-V66 HydrophobicContact CG-CB 4.22Å; F35-V66 HydrophobicContact CG-CG2 3.5Å; F35-V66 VanDerWaalsContact CG-CG2 3.5Å; F35-V66 HydrophobicContact CZ-CG2 4.19Å; F35-K67 HydrophobicContact CE2-CG 4.17Å; F35-K67 HydrophobicContact CZ-CG 4.04Å
36D98.6Very high97.7Very high19 Ų1953.3 Ų53.310%0.10229%0.288CS..EExtended strand (participates in β ladder)trans-139.4121.5174.3-162.2-31.7000109.2R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 2.72Å; R20-D36 IonicContact CZ-OD2 3.75Å; R20-D36 IonicContact NE-OD1 3.7Å; R20-D36 PolarHBondContact NE-OD1 2.89Å; R20-D36 IonicContact NE-OD2 2.92Å; R20-D36 IonicContact NH2-OD1 3.91Å; R20-D36 PolarHBondContact NH2-OD1 2.84Å; R20-D36 IonicContact NH2-OD2 3.06Å; R20-D36 PolarHBondContact NH2-OD2 3.36Å; R34-D36 IonicContact CZ-OD2 3.57Å; R34-D36 IonicContact NH2-OD2 3.64Å; R34-D36 PolarHBondContact NH2-OD2 3.19Å; D36-D38 PolarHBondContact O-N 2.84Å; D36-D38 PolarHBondContact OD1-N 2.93Å; D36-A39 HydrophobicContact CB-CB 4.14Å; D36-A39 WeakPolarHBondContact O-CB 3.37Å; D36-A39 PolarHBondContact O-N 2.99Å; D36-A39 VanDerWaalsContact O-N 3.13Å
37S98.1Very high97.7Very high18 Ų1855.7 Ų55.713%0.12630%0.296CS..THydrogen-bonded Turntrans-65.5-22.2-179.266.10000113.1R20 F21 Q42R20-S37 WeakPolarHBondContact CA-OG 3.47Å; F21-S37 PolarHBondContact N-OG 2.94Å; F21-S37 PolarHBondContact O-N 3.4Å; F21-S37 PolarHBondContact O-OG 3.4Å; S37-Q42 PolarHBondContact O-NE2 3.28Å
38D97.4Very high97.6Very high77 Ų7755.9 Ų55.941%0.41230%0.298SS..THydrogen-bonded Turntrans-86.9-8.1178.3-72.30.7000112.4R13 R20 D36R13-D38 IonicContact CZ-OD1 2.62Å; R13-D38 IonicContact CZ-OD2 2.81Å; R13-D38 IonicContact NH1-OD1 3.17Å; R13-D38 PolarHBondContact NH1-OD1 2.89Å; R13-D38 IonicContact NH1-OD2 3.59Å; R13-D38 PolarHBondContact NH1-OD2 3.48Å; R13-D38 IonicContact NH2-OD1 3.27Å; R13-D38 PolarHBondContact NH2-OD1 3.07Å; R13-D38 IonicContact NH2-OD2 3.84Å; R20-D38 VanDerWaalsContact CD-OD2 3.23Å; R20-D38 WeakPolarHBondContact CD-OD2 3.38Å; R20-D38 IonicContact NE-OD2 3.45Å; R20-D38 PolarHBondContact NE-OD2 3Å; D36-D38 PolarHBondContact O-N 2.84Å; D36-D38 PolarHBondContact OD1-N 2.93Å
39A97.1Very high97.6Very high31 Ų3159.1 Ų59.126%0.25632%0.321SS..SBendtrans-71.7144.317600000111.1D36 S41 Q42D36-A39 HydrophobicContact CB-CB 4.14Å; D36-A39 WeakPolarHBondContact O-CB 3.37Å; D36-A39 PolarHBondContact O-N 2.99Å; D36-A39 VanDerWaalsContact O-N 3.13Å; A39-S41 VanDerWaalsContact C-N 3.26Å; A39-S41 PolarHBondContact O-N 3.21Å; A39-Q42 WeakPolarHBondContact O-CG 3.4Å; A39-Q42 PolarHBondContact O-N 2.93Å; A39-Q42 VanDerWaalsContact O-N 3.16Å
40A96.1Very high97.6Very high114 Ų11452.1 Ų52.194%0.94228%0.283SS*.THydrogen-bonded Turntrans-60.7-33.5179.700000113.5
41S93.8Very high97.6Very high55 Ų5549.5 Ų49.539%0.38527%0.267SS..THydrogen-bonded Turntrans-73-32.6178.760.70000112.5A39 R43 E45A39-S41 VanDerWaalsContact C-N 3.26Å; A39-S41 PolarHBondContact O-N 3.21Å; S41-R43 WeakPolarHBondContact O-CG 3.36Å; S41-R43 PolarHBondContact O-N 2.92Å; S41-E45 PolarHBondContact OG-OE1 2.88Å
42Q96.3Very high97.5Very high85 Ų8553 Ų5340%0.39728%0.283SS..  trans38.451.5-167.6-59.7-172.6-24.300112F35 S37 A39 K67F35-Q42 VanDerWaalsContact CE2-C 3.46Å; F35-Q42 HydrophobicContact CE2-CB 4.38Å; F35-Q42 WeakPolarHBondContact CE2-O 3.3Å; F35-Q42 HydrophobicContact CZ-CB 4.44Å; S37-Q42 PolarHBondContact O-NE2 3.28Å; A39-Q42 WeakPolarHBondContact O-CG 3.4Å; A39-Q42 PolarHBondContact O-N 2.93Å; A39-Q42 VanDerWaalsContact O-N 3.16Å; Q42-K67 WeakPolarHBondContact O-CE 3.34Å; Q42-K67 PolarHBondContact O-NZ 2.61Å
43R98.2Very high97.3Very high155 Ų15558.5 Ų58.559%0.58531%0.308SS*.SBendtrans-124.2155.4179.5-82178.7171.5158-0.9110.8F35 S41 T63F35-R43 WeakPolarHBondContact CD2-O 3.32Å; S41-R43 WeakPolarHBondContact O-CG 3.36Å; S41-R43 PolarHBondContact O-N 2.92Å; R43-T63 HydrophobicContact CG-CG2 4.15Å
44M98.4Very high97.3Very high11 Ų1159 Ų595%0.05431%0.311CS..  trans-70126.9166.6-172.864.980.100108.1V33 R34 F35 W59 N62 T63 V66V33-M44 HydrophobicContact CB-CG 4.17Å; V33-M44 HydrophobicContact CB-SD 3.7Å; V33-M44 HydrophobicContact CG1-CG 4.23Å; V33-M44 HydrophobicContact CG1-SD 4.41Å; V33-M44 HydrophobicContact CG2-SD 4.14Å; R34-M44 VanDerWaalsContact C-SD 3.5Å; F35-M44 HydrophobicContact CB-CE 4.15Å; F35-M44 HydrophobicContact CB-SD 3.96Å; M44-W59 HydrophobicContact CB-CE3 4.24Å; M44-W59 HydrophobicContact CG-CE3 4.12Å; M44-W59 HydrophobicContact CG-CZ3 3.98Å; M44-N62 HydrophobicContact CB-CB 4.26Å; M44-N62 HydrophobicContact CE-CB 4.42Å; M44-N62 HydrophobicContact CG-CB 4.18Å; M44-T63 PolarHBondContact N-OG1 3.16Å; M44-V66 HydrophobicContact CE-CB 4.4Å; M44-V66 HydrophobicContact CE-CG1 3.38Å; M44-V66 HydrophobicContact CE-CG2 4.2Å
45E98.3Very high97.2Very high60 Ų6057.4 Ų57.428%0.2831%0.313SS..EExtended strand (participates in β ladder)trans-117.3141.1-173.7-67.4173170.900110.8V33 R34 S41 R47V33-E45 WeakPolarHBondContact CA-O 3.19Å; R34-E45 PolarHBondContact N-O 3.15Å; R34-E45 PolarHBondContact O-N 3.36Å; S41-E45 PolarHBondContact OG-OE1 2.88Å; E45-R47 IonicContact OE2-CZ 3.66Å; E45-R47 IonicContact OE2-NH2 2.73Å; E45-R47 PolarHBondContact OE2-NH2 3.1Å
46P98.3Very high97.1Very high50 Ų5061.3 Ų61.333%0.32534%0.339SS..EExtended strand (participates in β ladder)trans-66.5145.8173.229.1-34.5000111I51 E52 W59P46-I51 HydrophobicContact CB-CG2 3.58Å; P46-E52 HydrophobicContact CB-CG 3.82Å; P46-E52 HydrophobicContact CG-CG 4.05Å; P46-W59 HydrophobicContact CB-CH2 3.63Å; P46-W59 HydrophobicContact CB-CZ2 4.01Å; P46-W59 HydrophobicContact CB-CZ3 4.5Å; P46-W59 HydrophobicContact CG-CH2 4.26Å; P46-W59 HydrophobicContact CG-CZ2 4.44Å
47R98.3Very high97.1Very high120 Ų12067 Ų6745%0.45337%0.365SS..  trans-129.20.5174.3-59.9-64.9169.5172.2-3113.2Q31 F32 R34 E45Q31-R47 HydrophobicContact CG-CB 4.24Å; Q31-R47 HydrophobicContact CG-CG 4.48Å; Q31-R47 CarbonylContact O-C 3.58Å; F32-R47 PolarHBondContact O-N 2.78Å; R34-R47 HydrophobicContact CB-CG 3.84Å; E45-R47 IonicContact OE2-CZ 3.66Å; E45-R47 IonicContact OE2-NH2 2.73Å; E45-R47 PolarHBondContact OE2-NH2 3.1Å
48A96.9Very high97.1Very high5 Ų566.6 Ų66.64%0.04136%0.361CS..SBendtrans-138.614517300000110.6T30 F32 W50 I51T30-A48 HydrophobicContact CG2-CB 4.44Å; F32-A48 HydrophobicContact CB-CB 4.14Å; A48-W50 VanDerWaalsContact C-N 3.31Å; A48-W50 HydrophobicContact CB-CD2 4.24Å; A48-W50 HydrophobicContact CB-CG 4.43Å; A48-W50 HydrophobicContact CB-CZ2 4.04Å; A48-W50 PolarHBondContact O-N 3.28Å; A48-I51 WeakPolarHBondContact O-CG2 3.42Å; A48-I51 PolarHBondContact O-N 2.88Å
49P96.6Very high97.1Very high103 Ų10364.8 Ų64.867%0.66935%0.348SS*.G310 helixtrans-59.3-38.2-175.7-26.434.7000114I51 E52P49-I51 PolarHBondContact O-N 3.14Å; P49-E52 WeakPolarHBondContact O-CB 3.5Å; P49-E52 PolarHBondContact O-N 3.09Å; P49-E52 VanDerWaalsContact O-N 3.1Å
50W96.2Very high97.2Very high15 Ų1567.1 Ų67.16%0.05736%0.356CS..G310 helixtrans-69.3-13.2-176.254.1-105.4000114.4V27 F32 A48 Q53 Y170 N173 L178V27-W50 HydrophobicContact CB-CH2 4.3Å; V27-W50 HydrophobicContact CB-CZ2 4.38Å; V27-W50 HydrophobicContact CG2-CH2 3.84Å; V27-W50 HydrophobicContact CG2-CZ2 4.41Å; F32-W50 HydrophobicContact CB-CH2 3.16Å; F32-W50 HydrophobicContact CB-CZ2 3.33Å; F32-W50 HydrophobicContact CB-CZ3 4.03Å; F32-W50 HydrophobicContact CD1-CH2 4.1Å; F32-W50 AromaticContact CD2-CH2 3.72Å; F32-W50 HydrophobicContact CD2-CH2 3.72Å; F32-W50 HydrophobicContact CD2-CZ3 4.02Å; F32-W50 AromaticContact CG-CH2 3.42Å; F32-W50 HydrophobicContact CG-CH2 3.42Å; F32-W50 VanDerWaalsContact CG-CH2 3.42Å; F32-W50 HydrophobicContact CG-CZ2 4.08Å; F32-W50 HydrophobicContact CG-CZ3 4.18Å; A48-W50 VanDerWaalsContact C-N 3.31Å; A48-W50 HydrophobicContact CB-CD2 4.24Å; A48-W50 HydrophobicContact CB-CG 4.43Å; A48-W50 HydrophobicContact CB-CZ2 4.04Å; A48-W50 PolarHBondContact O-N 3.28Å; W50-Q53 WeakPolarHBondContact O-CG 3.45Å; W50-Y170 HydrophobicContact CE3-CD1 4.46Å; W50-Y170 HydrophobicContact CH2-CG 4.16Å; W50-Y170 AromaticContact CZ3-CD1 3.72Å; W50-Y170 HydrophobicContact CZ3-CD1 3.72Å; W50-Y170 HydrophobicContact CZ3-CD2 4.4Å; W50-Y170 AromaticContact CZ3-CG 3.66Å; W50-Y170 HydrophobicContact CZ3-CG 3.66Å; W50-N173 HydrophobicContact CB-CB 4.36Å; W50-N173 WeakPolarHBondContact CB-O 3.37Å; W50-N173 HydrophobicContact CE3-CB 4.49Å; W50-L178 HydrophobicContact CZ2-CD1 3.93Å; W50-L178 HydrophobicContact CZ2-CD2 4.38Å
51I97.6Very high97.3Very high0 Ų066.4 Ų66.40%033%0.329CS..G310 helixtrans-88-18.8174.1-164.270.3000111.7F32 V33 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-I51 HydrophobicContact CD2-CB 4.39Å; F32-I51 HydrophobicContact CD2-CD1 3.91Å; F32-I51 HydrophobicContact CD2-CG1 3.98Å; F32-I51 HydrophobicContact CE2-CD1 4.21Å; F32-I51 VanDerWaalsContact O-CG2 3.27Å; F32-I51 WeakPolarHBondContact O-CG2 3.44Å; V33-I51 HydrophobicContact CG1-CG1 4.3Å; P46-I51 HydrophobicContact CB-CG2 3.58Å; A48-I51 WeakPolarHBondContact O-CG2 3.42Å; A48-I51 PolarHBondContact O-N 2.88Å; P49-I51 PolarHBondContact O-N 3.14Å; I51-Q53 PolarHBondContact O-N 3.44Å; I51-Q53 VanDerWaalsContact O-N 3.15Å; I51-E54 HydrophobicContact CD1-CG 3.66Å; I51-E54 HydrophobicContact CG1-CG 4.25Å; I51-E54 WeakPolarHBondContact O-CB 3.17Å; I51-E54 WeakPolarHBondContact O-CG 3.37Å; I51-E54 PolarHBondContact O-N 3.19Å; I51-Y58 HydrophobicContact CD1-CE1 4.18Å; I51-Y58 HydrophobicContact CG1-CE1 4.24Å; I51-W59 HydrophobicContact CB-CH2 4.45Å; I51-W59 HydrophobicContact CG1-CH2 3.73Å; I51-W59 HydrophobicContact CG1-CZ2 3.99Å; I51-W59 HydrophobicContact CG2-CH2 4.01Å; I51-W59 HydrophobicContact CG2-CZ2 4.4Å; I51-W59 WeakPolarHBondContact O-CZ2 3.28Å; I51-Y170 HydrophobicContact CD1-CD1 3.8Å; I51-Y170 HydrophobicContact CD1-CE1 3.31Å
52E96.1Very high97.5Very high128 Ų12864.7 Ų64.760%0.59832%0.316SS*.THydrogen-bonded Turntrans-64.9-21.1-177.2-63.7-178.7-169.900113.1P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.82Å; P46-E52 HydrophobicContact CG-CG 4.05Å; P49-E52 WeakPolarHBondContact O-CB 3.5Å; P49-E52 PolarHBondContact O-N 3.09Å; P49-E52 VanDerWaalsContact O-N 3.1Å; E52-E54 PolarHBondContact O-N 3.42Å
53Q95.5Very high97.6Very high116 Ų11661.2 Ų61.254%0.54230%0.3SS..THydrogen-bonded Turntrans-71.8-12.217570.2-175.744.100114.1W50 I51 N173W50-Q53 WeakPolarHBondContact O-CG 3.45Å; I51-Q53 PolarHBondContact O-N 3.44Å; I51-Q53 VanDerWaalsContact O-N 3.15Å; Q53-N173 PolarHBondContact NE2-ND2 3.44Å; Q53-N173 VanDerWaalsContact NE2-ND2 3.14Å; Q53-N173 PolarHBondContact NE2-OD1 2.87Å
54E97.4Very high97.6Very high13 Ų1361.5 Ų61.56%0.06130%0.301CS..SBendtrans-68137.8175.4-65.1-61.8164.200111.1I51 E52 Y58 W59 R169 N173I51-E54 HydrophobicContact CD1-CG 3.66Å; I51-E54 HydrophobicContact CG1-CG 4.25Å; I51-E54 WeakPolarHBondContact O-CB 3.17Å; I51-E54 WeakPolarHBondContact O-CG 3.37Å; I51-E54 PolarHBondContact O-N 3.19Å; E52-E54 PolarHBondContact O-N 3.42Å; E54-Y58 HydrophobicContact CB-CD1 3.6Å; E54-Y58 HydrophobicContact CB-CD2 4.49Å; E54-Y58 HydrophobicContact CB-CE1 4.25Å; E54-Y58 HydrophobicContact CB-CG 3.75Å; E54-Y58 HydrophobicContact CG-CD1 4.06Å; E54-Y58 HydrophobicContact CG-CD2 4.4Å; E54-Y58 HydrophobicContact CG-CE1 4.3Å; E54-Y58 HydrophobicContact CG-CG 4.12Å; E54-W59 PolarHBondContact O-NE1 3.22Å; E54-R169 IonicContact OE1-CZ 3.69Å; E54-R169 IonicContact OE1-NE 3.68Å; E54-R169 PolarHBondContact OE1-NE 2.93Å; E54-R169 IonicContact OE1-NH2 2.74Å; E54-R169 PolarHBondContact OE1-NH2 3.46Å; E54-R169 IonicContact OE2-CZ 3.76Å; E54-R169 IonicContact OE2-NE 3.46Å; E54-R169 PolarHBondContact OE2-NE 3.09Å; E54-R169 IonicContact OE2-NH2 3.97Å; E54-R169 PolarHBondContact OE2-NH2 3.06Å; E54-N173 PolarHBondContact OE1-ND2 3.5Å
55G97.3Very high97.6Very high28 Ų2865.1 Ų65.129%0.28932%0.321SS..  trans-70167.6-176.300000114.4E57 Y58 W59G55-E57 PolarHBondContact O-N 2.87Å; G55-Y58 WeakPolarHBondContact O-CB 3.41Å; G55-Y58 PolarHBondContact O-N 2.81Å; G55-W59 VanDerWaalsContact O-CD1 3.25Å; G55-W59 PolarHBondContact O-N 2.75Å
56P97.5Very high97.6Very high84 Ų8462.3 Ų62.355%0.54531%0.308SS..Hα-helixtrans-57.5-32.8-178.623.5-32.9000113.2Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.27Å; P56-Y58 PolarHBondContact O-N 2.98Å; P56-W59 PolarHBondContact O-N 3.4Å; P56-D60 WeakPolarHBondContact O-CB 3.38Å; P56-D60 PolarHBondContact O-N 2.7Å
57E97.9Very high97.6Very high138 Ų13863.7 Ų63.765%0.64531%0.309SS*.Hα-helixtrans-62.5-34.9178.4-6177.3-168.800112.1G55 R61G55-E57 PolarHBondContact O-N 2.87Å; E57-R61 WeakPolarHBondContact O-CB 3.23Å; E57-R61 PolarHBondContact O-N 3Å
58Y97.9Very high97.6Very high10 Ų1060.9 Ų60.94%0.03931%0.311CS..Hα-helixtrans-63.8-50.6174.3171.8-92.1000110.3I51 E54 G55 P56 R61 N62 W166 Y170I51-Y58 HydrophobicContact CD1-CE1 4.18Å; I51-Y58 HydrophobicContact CG1-CE1 4.24Å; E54-Y58 HydrophobicContact CB-CD1 3.6Å; E54-Y58 HydrophobicContact CB-CD2 4.49Å; E54-Y58 HydrophobicContact CB-CE1 4.25Å; E54-Y58 HydrophobicContact CB-CG 3.75Å; E54-Y58 HydrophobicContact CG-CD1 4.06Å; E54-Y58 HydrophobicContact CG-CD2 4.4Å; E54-Y58 HydrophobicContact CG-CE1 4.3Å; E54-Y58 HydrophobicContact CG-CG 4.12Å; G55-Y58 WeakPolarHBondContact O-CB 3.41Å; G55-Y58 PolarHBondContact O-N 2.81Å; P56-Y58 VanDerWaalsContact C-N 3.27Å; P56-Y58 PolarHBondContact O-N 2.98Å; Y58-R61 PolarHBondContact O-N 2.8Å; Y58-N62 WeakPolarHBondContact CD2-ND2 3.48Å; Y58-N62 WeakPolarHBondContact CE1-ND2 3.31Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.33Å; Y58-N62 WeakPolarHBondContact O-CB 3.48Å; Y58-N62 PolarHBondContact O-N 3.44Å; Y58-N62 PolarHBondContact O-ND2 2.81Å; Y58-W166 AromaticContact CD2-CH2 3.55Å; Y58-W166 HydrophobicContact CD2-CH2 3.55Å; Y58-W166 HydrophobicContact CD2-CZ2 4.25Å; Y58-W166 AromaticContact CD2-CZ3 3.76Å; Y58-W166 HydrophobicContact CD2-CZ3 3.76Å; Y58-W166 HydrophobicContact CE2-CE3 4.19Å; Y58-W166 AromaticContact CE2-CH2 3.92Å; Y58-W166 HydrophobicContact CE2-CH2 3.92Å; Y58-W166 AromaticContact CE2-CZ3 3.72Å; Y58-W166 HydrophobicContact CE2-CZ3 3.72Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.5Å; Y58-Y170 VanDerWaalsContact CZ-OH 3.27Å; Y58-Y170 PolarHBondContact OH-OH 3.19Å
59W98.4Very high97.7Very high40 Ų4062.6 Ų62.615%0.15232%0.318CS..Hα-helixtrans-64.8-41.7-178.1-63.7111000112.3V33 M44 P46 I51 E54 G55 P56 T63V33-W59 HydrophobicContact CG1-CH2 4.08Å; V33-W59 HydrophobicContact CG1-CZ3 3.89Å; M44-W59 HydrophobicContact CB-CE3 4.24Å; M44-W59 HydrophobicContact CG-CE3 4.12Å; M44-W59 HydrophobicContact CG-CZ3 3.98Å; P46-W59 HydrophobicContact CB-CH2 3.63Å; P46-W59 HydrophobicContact CB-CZ2 4.01Å; P46-W59 HydrophobicContact CB-CZ3 4.5Å; P46-W59 HydrophobicContact CG-CH2 4.26Å; P46-W59 HydrophobicContact CG-CZ2 4.44Å; I51-W59 HydrophobicContact CB-CH2 4.45Å; I51-W59 HydrophobicContact CG1-CH2 3.73Å; I51-W59 HydrophobicContact CG1-CZ2 3.99Å; I51-W59 HydrophobicContact CG2-CH2 4.01Å; I51-W59 HydrophobicContact CG2-CZ2 4.4Å; I51-W59 WeakPolarHBondContact O-CZ2 3.28Å; E54-W59 PolarHBondContact O-NE1 3.22Å; G55-W59 VanDerWaalsContact O-CD1 3.25Å; G55-W59 PolarHBondContact O-N 2.75Å; P56-W59 PolarHBondContact O-N 3.4Å; W59-T63 VanDerWaalsContact O-CB 3.24Å; W59-T63 WeakPolarHBondContact O-CB 3.04Å; W59-T63 PolarHBondContact O-N 2.99Å; W59-T63 PolarHBondContact O-OG1 3.26Å
60D98.4Very high97.7Very high79 Ų7958.5 Ų58.542%0.42229%0.292SS..Hα-helixtrans-66.5-41.4177.6-78.4-17.9000112.1P56 R64P56-D60 WeakPolarHBondContact O-CB 3.38Å; P56-D60 PolarHBondContact O-N 2.7Å; D60-R64 WeakPolarHBondContact O-CB 3.23Å; D60-R64 WeakPolarHBondContact O-CG 3.44Å; D60-R64 PolarHBondContact O-N 2.97Å; D60-R64 PolarHBondContact O-NE 2.71Å; D60-R64 VanDerWaalsContact O-NE 3.16Å
61R98.1Very high97.8Very high100 Ų10062.6 Ų62.638%0.37731%0.312SS..Hα-helixtrans-65.5-48.8176.8-175-177.267.8-174.10.5111E57 Y58 T63 R64 N65E57-R61 WeakPolarHBondContact O-CB 3.23Å; E57-R61 PolarHBondContact O-N 3Å; Y58-R61 PolarHBondContact O-N 2.8Å; R61-T63 VanDerWaalsContact C-N 3.34Å; R61-T63 PolarHBondContact O-N 2.8Å; R61-R64 PolarHBondContact O-N 3.18Å; R61-N65 VanDerWaalsContact O-CG 3.25Å; R61-N65 PolarHBondContact O-N 3.05Å; R61-N65 PolarHBondContact O-OD1 2.68Å
62N98.1Very high97.8Very high19 Ų1965.7 Ų65.710%0.10233%0.331CS..Hα-helixtrans-65.4-38.9-179.4-75.3-69.5000111.9M44 Y58 R64 N65 V66M44-N62 HydrophobicContact CB-CB 4.26Å; M44-N62 HydrophobicContact CE-CB 4.42Å; M44-N62 HydrophobicContact CG-CB 4.18Å; Y58-N62 WeakPolarHBondContact CD2-ND2 3.48Å; Y58-N62 WeakPolarHBondContact CE1-ND2 3.31Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.33Å; Y58-N62 WeakPolarHBondContact O-CB 3.48Å; Y58-N62 PolarHBondContact O-N 3.44Å; Y58-N62 PolarHBondContact O-ND2 2.81Å; N62-R64 PolarHBondContact O-N 3.13Å; N62-N65 PolarHBondContact O-N 3.17Å; N62-V66 WeakPolarHBondContact O-CG2 3.18Å; N62-V66 PolarHBondContact O-N 3.26Å
63T98.6Very high97.9Very high12 Ų1259.7 Ų59.77%0.07430%0.303CS..Hα-helixtrans-60.3-44.7173.2-62.20000111.6R43 M44 W59 R61 V66 K67R43-T63 HydrophobicContact CG-CG2 4.15Å; M44-T63 PolarHBondContact N-OG1 3.16Å; W59-T63 VanDerWaalsContact O-CB 3.24Å; W59-T63 WeakPolarHBondContact O-CB 3.04Å; W59-T63 PolarHBondContact O-N 2.99Å; W59-T63 PolarHBondContact O-OG1 3.26Å; R61-T63 VanDerWaalsContact C-N 3.34Å; R61-T63 PolarHBondContact O-N 2.8Å; T63-V66 VanDerWaalsContact O-CG2 3.31Å; T63-V66 WeakPolarHBondContact O-CG2 3.49Å; T63-K67 HydrophobicContact CG2-CD 4.3Å; T63-K67 WeakPolarHBondContact O-CB 3.37Å; T63-K67 WeakPolarHBondContact O-CG 3.32Å; T63-K67 PolarHBondContact O-N 2.7Å; T63-K67 VanDerWaalsContact O-N 3.08Å
64R98.5Very high97.9Very high160 Ų16059.1 Ų59.160%0.60430%0.296SS*.Hα-helixtrans-61.8-43.5176-80.2180-78.6143.8-11.1111.9D60 R61 N62 K67 A68D60-R64 WeakPolarHBondContact O-CB 3.23Å; D60-R64 WeakPolarHBondContact O-CG 3.44Å; D60-R64 PolarHBondContact O-N 2.97Å; D60-R64 PolarHBondContact O-NE 2.71Å; D60-R64 VanDerWaalsContact O-NE 3.16Å; R61-R64 PolarHBondContact O-N 3.18Å; N62-R64 PolarHBondContact O-N 3.13Å; R64-K67 PolarHBondContact O-N 3.05Å; R64-A68 PolarHBondContact O-N 2.82Å
65N97.9Very high97.9Very high87 Ų8762.8 Ų62.847%0.46532%0.319SS..Hα-helixtrans-61.8-47.4-179.8-69.8-5.2000112.1R61 N62 K67 A68 Q69R61-N65 VanDerWaalsContact O-CG 3.25Å; R61-N65 PolarHBondContact O-N 3.05Å; R61-N65 PolarHBondContact O-OD1 2.68Å; N62-N65 PolarHBondContact O-N 3.17Å; N65-K67 VanDerWaalsContact C-N 3.33Å; N65-K67 PolarHBondContact O-N 2.69Å; N65-A68 PolarHBondContact O-N 3.49Å; N65-Q69 PolarHBondContact O-N 3.31Å
66V98.3Very high97.9Very high1 Ų164.5 Ų64.51%0.00632%0.321CS..Hα-helixtrans-69.9-29.5178.9-64.10000113.2F21 A23 F35 M44 N62 T63 S70F21-V66 HydrophobicContact CE1-CB 3.99Å; A23-V66 HydrophobicContact CB-CG1 4.03Å; F35-V66 HydrophobicContact CB-CG2 3.98Å; F35-V66 HydrophobicContact CD1-CB 4.36Å; F35-V66 HydrophobicContact CD1-CG2 3.99Å; F35-V66 HydrophobicContact CD2-CB 4.48Å; F35-V66 HydrophobicContact CD2-CG2 3.34Å; F35-V66 HydrophobicContact CE1-CG2 4.32Å; F35-V66 HydrophobicContact CE2-CG2 3.7Å; F35-V66 HydrophobicContact CG-CB 4.22Å; F35-V66 HydrophobicContact CG-CG2 3.5Å; F35-V66 VanDerWaalsContact CG-CG2 3.5Å; F35-V66 HydrophobicContact CZ-CG2 4.19Å; M44-V66 HydrophobicContact CE-CB 4.4Å; M44-V66 HydrophobicContact CE-CG1 3.38Å; M44-V66 HydrophobicContact CE-CG2 4.2Å; N62-V66 WeakPolarHBondContact O-CG2 3.18Å; N62-V66 PolarHBondContact O-N 3.26Å; T63-V66 VanDerWaalsContact O-CG2 3.31Å; T63-V66 WeakPolarHBondContact O-CG2 3.49Å; V66-S70 PolarHBondContact O-N 3.17Å
67K98.3Very high97.9Very high80 Ų8061 Ų6135%0.34830%0.298SS..Hα-helixtrans-68.9-38.1170.5-74.8-173.3-179.5-169.80112.3F35 Q42 T63 R64 N65 S70 Q71F35-K67 HydrophobicContact CE2-CG 4.17Å; F35-K67 HydrophobicContact CZ-CG 4.04Å; Q42-K67 WeakPolarHBondContact O-CE 3.34Å; Q42-K67 PolarHBondContact O-NZ 2.61Å; T63-K67 HydrophobicContact CG2-CD 4.3Å; T63-K67 WeakPolarHBondContact O-CB 3.37Å; T63-K67 WeakPolarHBondContact O-CG 3.32Å; T63-K67 PolarHBondContact O-N 2.7Å; T63-K67 VanDerWaalsContact O-N 3.08Å; R64-K67 PolarHBondContact O-N 3.05Å; N65-K67 VanDerWaalsContact C-N 3.33Å; N65-K67 PolarHBondContact O-N 2.69Å; K67-S70 PolarHBondContact O-N 2.85Å; K67-S70 PolarHBondContact O-OG 3.11Å; K67-Q71 WeakPolarHBondContact O-CG 3.26Å; K67-Q71 PolarHBondContact O-N 3.43Å
68A98.3Very high97.8Very high60 Ų6056.2 Ų56.250%0.49629%0.286SS..Hα-helixtrans-64-45.8173.400000110.6R64 N65 S70 Q71 T72R64-A68 PolarHBondContact O-N 2.82Å; N65-A68 PolarHBondContact O-N 3.49Å; A68-S70 VanDerWaalsContact C-N 3.34Å; A68-S70 PolarHBondContact O-N 3.1Å; A68-Q71 PolarHBondContact O-N 3.36Å; A68-T72 PolarHBondContact O-N 2.04Å; A68-T72 VanDerWaalsContact O-N 3.09Å; A68-T72 PolarHBondContact O-OG1 3.3Å
69Q98.1Very high97.8Very high41 Ų4158.1 Ų58.119%0.19230%0.299CS..Hα-helixtrans-60.4-41.3176.4-172.665.153.900112.4Y8 F21 N65 Q71 T72 D73Y8-Q69 HydrophobicContact CD2-CG 3.69Å; Y8-Q69 HydrophobicContact CE2-CB 4.39Å; Y8-Q69 HydrophobicContact CE2-CG 3.79Å; F21-Q69 HydrophobicContact CE2-CB 4.36Å; F21-Q69 HydrophobicContact CE2-CG 3.84Å; F21-Q69 HydrophobicContact CZ-CB 4.13Å; F21-Q69 HydrophobicContact CZ-CG 3.92Å; N65-Q69 PolarHBondContact O-N 3.31Å; Q69-Q71 PolarHBondContact O-N 2.89Å; Q69-T72 WeakPolarHBondContact O-CB 3.38Å; Q69-T72 PolarHBondContact O-N 2.71Å; Q69-T72 VanDerWaalsContact O-N 3.08Å; Q69-D73 PolarHBondContact NE2-OD1 3.03Å; Q69-D73 PolarHBondContact O-N 2.91Å
70S97.6Very high97.7Very high17 Ų1756.8 Ų56.812%0.11930%0.295CS..Hα-helixtrans-62.7-32.3178.8760000112.9F21 V66 K67 A68 R74F21-S70 VanDerWaalsContact CG-CB 3.47Å; V66-S70 PolarHBondContact O-N 3.17Å; K67-S70 PolarHBondContact O-N 2.85Å; K67-S70 PolarHBondContact O-OG 3.11Å; A68-S70 VanDerWaalsContact C-N 3.34Å; A68-S70 PolarHBondContact O-N 3.1Å; S70-R74 WeakPolarHBondContact O-CB 3.11Å; S70-R74 PolarHBondContact O-N 2.84Å; S70-R74 VanDerWaalsContact O-N 3.14Å
71Q97.8Very high97.6Very high101 Ų10156.6 Ų56.647%0.47229%0.288SS..Hα-helixtrans-71.9-38172.7-63.5-52.2-60.200112.3K67 A68 Q69 R74 V75K67-Q71 WeakPolarHBondContact O-CG 3.26Å; K67-Q71 PolarHBondContact O-N 3.43Å; A68-Q71 PolarHBondContact O-N 3.36Å; Q69-Q71 PolarHBondContact O-N 2.89Å; Q71-R74 WeakPolarHBondContact O-CB 3.13Å; Q71-R74 PolarHBondContact O-N 3.45Å; Q71-V75 PolarHBondContact O-N 2.66Å
72T97.8Very high97.5Very high66 Ų6654 Ų5441%0.40529%0.292SS..Hα-helixtrans-60.5-52172.3-62.70000110.9A68 Q69 R74 V75 D76A68-T72 PolarHBondContact O-N 2.04Å; A68-T72 VanDerWaalsContact O-N 3.09Å; A68-T72 PolarHBondContact O-OG1 3.3Å; Q69-T72 WeakPolarHBondContact O-CB 3.38Å; Q69-T72 PolarHBondContact O-N 2.71Å; Q69-T72 VanDerWaalsContact O-N 3.08Å; T72-R74 PolarHBondContact O-N 3.01Å; T72-V75 WeakPolarHBondContact O-CB 3.17Å; T72-V75 PolarHBondContact O-N 2.87Å; T72-D76 WeakPolarHBondContact CG2-OD2 3.47Å; T72-D76 PolarHBondContact O-N 2.87Å
73D97.4Very high97.5Very high1 Ų156.2 Ų56.21%0.00530%0.299CS..Hα-helixtrans-60.4-34.5-179.3-74.311.1000112.4S10 F21 Q69 D76 L77S10-D73 WeakPolarHBondContact CB-OD2 3.02Å; F21-D73 WeakPolarHBondContact CD2-OD2 3.45Å; F21-D73 VanDerWaalsContact CE2-OD2 3.23Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.05Å; Q69-D73 PolarHBondContact NE2-OD1 3.03Å; Q69-D73 PolarHBondContact O-N 2.91Å; D73-D76 PolarHBondContact O-N 2.83Å; D73-L77 WeakPolarHBondContact O-CB 3.42Å; D73-L77 VanDerWaalsContact O-CG 3.26Å; D73-L77 WeakPolarHBondContact O-CG 3.37Å; D73-L77 PolarHBondContact O-N 3Å
74R96.9Very high97.4Very high105 Ų10558.8 Ų58.840%0.39631%0.308SS..Hα-helixtrans-61.9-43.2174.2170-167.1130.6137.4-13.3111.9E18 P19 S70 Q71 T72E18-R74 IonicContact OE1-NH1 3.15Å; E18-R74 PolarHBondContact OE1-NH1 2.97Å; E18-R74 WeakPolarHBondContact OE2-CD 3.49Å; E18-R74 IonicContact OE2-CZ 3.44Å; E18-R74 IonicContact OE2-NE 3.05Å; E18-R74 IonicContact OE2-NH1 2.8Å; E18-R74 PolarHBondContact OE2-NH1 3.5Å; P19-R74 HydrophobicContact CG-CB 4.27Å; P19-R74 HydrophobicContact CG-CG 4.28Å; S70-R74 WeakPolarHBondContact O-CB 3.11Å; S70-R74 PolarHBondContact O-N 2.84Å; S70-R74 VanDerWaalsContact O-N 3.14Å; Q71-R74 WeakPolarHBondContact O-CB 3.13Å; Q71-R74 PolarHBondContact O-N 3.45Å; T72-R74 PolarHBondContact O-N 3.01Å
75V97.3Very high97.3Very high90 Ų9058.5 Ų58.555%0.54532%0.319SS..Hα-helixtrans-69.4-40.7175.6175.20000110.5Q71 T72 L77 G78 T79Q71-V75 PolarHBondContact O-N 2.66Å; T72-V75 WeakPolarHBondContact O-CB 3.17Å; T72-V75 PolarHBondContact O-N 2.87Å; V75-L77 PolarHBondContact O-N 3.44Å; V75-G78 PolarHBondContact O-N 2.88Å; V75-T79 PolarHBondContact O-N 2.89Å; V75-T79 PolarHBondContact O-OG1 3.49Å; V75-T79 VanDerWaalsContact O-OG1 3.1Å
76D97.5Very high97.2Very high63 Ų6357 Ų5734%0.33731%0.309SS..Hα-helixtrans-66.6-36.4-179.9-70.8-17.7000111.9T72 D73 G78 T79 L80 I94T72-D76 WeakPolarHBondContact CG2-OD2 3.47Å; T72-D76 PolarHBondContact O-N 2.87Å; D73-D76 PolarHBondContact O-N 2.83Å; D76-G78 VanDerWaalsContact C-N 3.28Å; D76-G78 PolarHBondContact O-N 2.95Å; D76-T79 PolarHBondContact O-N 2.96Å; D76-T79 VanDerWaalsContact O-N 3.11Å; D76-L80 WeakPolarHBondContact O-CB 3.44Å; D76-L80 WeakPolarHBondContact O-CG 3.16Å; D76-L80 PolarHBondContact O-N 3.5Å; D76-I94 HydrophobicContact CB-CD1 3.69Å
77L97.5Very high97Very high10 Ų1061 Ų615%0.05234%0.337CS..Hα-helixtrans-57.4-41.4173.1-82.6164.6000111.7S10 P19 D73 V75 R81 H92 I94 Y117S10-L77 WeakPolarHBondContact OG-CD1 3.34Å; P19-L77 HydrophobicContact CB-CD1 3.58Å; P19-L77 HydrophobicContact CG-CD1 3.59Å; D73-L77 WeakPolarHBondContact O-CB 3.42Å; D73-L77 VanDerWaalsContact O-CG 3.26Å; D73-L77 WeakPolarHBondContact O-CG 3.37Å; D73-L77 PolarHBondContact O-N 3Å; V75-L77 PolarHBondContact O-N 3.44Å; L77-R81 VanDerWaalsContact O-CB 3.3Å; L77-R81 WeakPolarHBondContact O-CB 3.5Å; L77-R81 PolarHBondContact O-N 2.88Å; L77-R81 VanDerWaalsContact O-N 3.14Å; L77-H92 HydrophobicContact CD2-CB 4.1Å; L77-I94 HydrophobicContact CB-CD1 4.41Å; L77-I94 HydrophobicContact CD2-CD1 4.01Å; L77-I94 HydrophobicContact CD2-CG1 3.8Å; L77-I94 HydrophobicContact CG-CD1 3.74Å; L77-I94 HydrophobicContact CG-CG1 4.07Å; L77-Y117 HydrophobicContact CD2-CE2 4.36Å
78G95.6Very high96.4Very high38 Ų3864 Ų6439%0.39235%0.352SS..Hα-helixtrans-68.4-39.7174.800000112.7V75 D76 G82V75-G78 PolarHBondContact O-N 2.88Å; D76-G78 VanDerWaalsContact C-N 3.28Å; D76-G78 PolarHBondContact O-N 2.95Å; G78-G82 PolarHBondContact O-N 2.99Å
79T96.9Very high96Very high51 Ų5164.2 Ų64.231%0.31336%0.36SS..Hα-helixtrans-66-48.7178.8-59.40000111.7V75 D76 G82 Y83V75-T79 PolarHBondContact O-N 2.89Å; V75-T79 PolarHBondContact O-OG1 3.49Å; V75-T79 VanDerWaalsContact O-OG1 3.1Å; D76-T79 PolarHBondContact O-N 2.96Å; D76-T79 VanDerWaalsContact O-N 3.11Å; T79-G82 WeakPolarHBondContact O-CA 3.47Å; T79-G82 PolarHBondContact O-N 2.87Å; T79-G82 VanDerWaalsContact O-N 3.11Å; T79-Y83 HydrophobicContact CG2-CD1 4.44Å; T79-Y83 HydrophobicContact CG2-CD2 4.46Å; T79-Y83 HydrophobicContact CG2-CE1 3.93Å; T79-Y83 HydrophobicContact CG2-CE2 3.94Å; T79-Y83 PolarHBondContact O-N 3.23Å
80L97.5Very high95.7Very high12 Ų1263.2 Ų63.26%0.06336%0.361CS..Hα-helixtrans-63.6-42.3179.3-68.7175.3000111.2D76 G82 Y83 Y84 I94 Y117 Y122D76-L80 WeakPolarHBondContact O-CB 3.44Å; D76-L80 WeakPolarHBondContact O-CG 3.16Å; D76-L80 PolarHBondContact O-N 3.5Å; L80-G82 PolarHBondContact O-N 2.86Å; L80-Y83 HydrophobicContact CD2-CD2 4.24Å; L80-Y83 PolarHBondContact O-N 3.4Å; L80-Y84 HydrophobicContact CD2-CE2 4.38Å; L80-Y84 WeakPolarHBondContact O-CD2 3.14Å; L80-Y84 PolarHBondContact O-N 2.88Å; L80-I94 HydrophobicContact CD1-CD1 3.57Å; L80-I94 HydrophobicContact CD1-CG1 3.67Å; L80-Y117 HydrophobicContact CB-CD1 4.49Å; L80-Y117 HydrophobicContact CB-CD2 4.19Å; L80-Y117 HydrophobicContact CB-CE1 4.09Å; L80-Y117 HydrophobicContact CB-CE2 3.78Å; L80-Y117 HydrophobicContact CD1-CD2 3.46Å; L80-Y117 VanDerWaalsContact CD1-CD2 3.46Å; L80-Y117 HydrophobicContact CD1-CE2 3.78Å; L80-Y117 HydrophobicContact CD1-CG 3.93Å; L80-Y117 HydrophobicContact CG-CD2 4.43Å; L80-Y117 HydrophobicContact CG-CE2 4.44Å; L80-Y122 HydrophobicContact CD2-CD2 4.45Å; L80-Y122 HydrophobicContact CD2-CE1 3.84Å; L80-Y122 HydrophobicContact CD2-CE2 3.68Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.27Å
81R96.3Very high95.7Very high75 Ų7565.9 Ų65.928%0.28338%0.38SS..Hα-helixtrans-53.1-41.6172.9-171.9-176.170.8174.311.8111.6L77 N85 Q86 E88L77-R81 VanDerWaalsContact O-CB 3.3Å; L77-R81 WeakPolarHBondContact O-CB 3.5Å; L77-R81 PolarHBondContact O-N 2.88Å; L77-R81 VanDerWaalsContact O-N 3.14Å; R81-N85 PolarHBondContact O-N 2.77Å; R81-N85 VanDerWaalsContact O-N 3.15Å; R81-Q86 HydrophobicContact CG-CB 3.81Å; R81-Q86 WeakPolarHBondContact CG-O 3.31Å; R81-Q86 PolarHBondContact O-N 3.47Å; R81-E88 IonicContact CZ-OE1 2.7Å; R81-E88 IonicContact NH1-OE1 2.71Å; R81-E88 IonicContact NH2-OE1 3.78Å; R81-E88 PolarHBondContact NH2-OE1 3.49Å
82G95.9Very high95.7Very high45 Ų4561.9 Ų61.946%0.46436%0.361SS..Hα-helixtrans-65.8-44.9174.200000113.3G78 T79 L80 Y84 N85G78-G82 PolarHBondContact O-N 2.99Å; T79-G82 WeakPolarHBondContact O-CA 3.47Å; T79-G82 PolarHBondContact O-N 2.87Å; T79-G82 VanDerWaalsContact O-N 3.11Å; L80-G82 PolarHBondContact O-N 2.86Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 2.79Å; G82-N85 PolarHBondContact O-N 2.98Å; G82-N85 VanDerWaalsContact O-N 3.13Å; G82-N85 PolarHBondContact O-OD1 2.9Å
83Y97Very high95.7Very high66 Ų6660.4 Ų60.426%0.25935%0.352SS..Hα-helixtrans-60-35.9178.5-70.7-5.2000113.1T79 L80 A138 T141 K145T79-Y83 HydrophobicContact CG2-CD1 4.44Å; T79-Y83 HydrophobicContact CG2-CD2 4.46Å; T79-Y83 HydrophobicContact CG2-CE1 3.93Å; T79-Y83 HydrophobicContact CG2-CE2 3.94Å; T79-Y83 PolarHBondContact O-N 3.23Å; L80-Y83 HydrophobicContact CD2-CD2 4.24Å; L80-Y83 PolarHBondContact O-N 3.4Å; Y83-A138 HydrophobicContact CD2-CB 4.48Å; Y83-T141 HydrophobicContact CE1-CG2 4.32Å; Y83-T141 HydrophobicContact CE2-CG2 4.08Å; Y83-T141 WeakPolarHBondContact OH-CG2 3.34Å; Y83-K145 PolarHBondContact OH-NZ 2.83Å
84Y97.3Very high95.8Very high66 Ų6660.7 Ų60.726%0.25935%0.353SS..THydrogen-bonded Turntrans-94.35.2178.9-66.6-74.5000114.1L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CD2-CE2 4.38Å; L80-Y84 WeakPolarHBondContact O-CD2 3.14Å; L80-Y84 PolarHBondContact O-N 2.88Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 2.79Å; Y84-Q86 PolarHBondContact O-N 3.04Å; Y84-Y117 AromaticContact CD2-CD1 3.67Å; Y84-Y117 HydrophobicContact CD2-CD1 3.67Å; Y84-Y117 AromaticContact CD2-CE1 3.44Å; Y84-Y117 HydrophobicContact CD2-CE1 3.44Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.44Å; Y84-Y117 AromaticContact CE2-CD1 3.41Å; Y84-Y117 HydrophobicContact CE2-CD1 3.41Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.41Å; Y84-Y117 AromaticContact CE2-CE1 3.71Å; Y84-Y117 HydrophobicContact CE2-CE1 3.71Å; Y84-Y117 HydrophobicContact CE2-CG 4.36Å; Y84-Y117 HydrophobicContact CG-CE1 4.34Å; Y84-Y122 HydrophobicContact CE2-CE2 4.19Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.23Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.08Å; Y84-Y122 VanDerWaalsContact OH-CE2 3.31Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.04Å; Y84-D136 VanDerWaalsContact CE1-OD2 3.3Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.4Å; Y84-D136 PolarHBondContact OH-OD1 3.14Å; Y84-D136 PolarHBondContact OH-OD2 3.37Å; Y84-A138 HydrophobicContact CD1-CB 4.27Å; Y84-A138 HydrophobicContact CE1-CB 3.66Å; Y84-A138 HydrophobicContact CE2-CB 3.95Å; Y84-A138 VanDerWaalsContact CZ-CB 3.48Å
85N96.2Very high95.9Very high153 Ų15359.5 Ų59.582%0.81835%0.352SS*.THydrogen-bonded Turntrans5140.1-177-58.7-57.7000113.3R81 G82R81-N85 PolarHBondContact O-N 2.77Å; R81-N85 VanDerWaalsContact O-N 3.15Å; G82-N85 PolarHBondContact O-N 2.98Å; G82-N85 VanDerWaalsContact O-N 3.13Å; G82-N85 PolarHBondContact O-OD1 2.9Å
86Q96.1Very high95.9Very high57 Ų5755.7 Ų55.727%0.26633%0.329SS..  trans-86.6151-176.4-71166.6-33.300112R81 Y84 H92 Y117 D118R81-Q86 HydrophobicContact CG-CB 3.81Å; R81-Q86 WeakPolarHBondContact CG-O 3.31Å; R81-Q86 PolarHBondContact O-N 3.47Å; Y84-Q86 PolarHBondContact O-N 3.04Å; Q86-H92 PolarHBondContact NE2-CE1 3.29Å; Q86-H92 PolarHBondContact OE1-CE1 2.77Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.24Å; Q86-H92 PolarHBondContact OE1-ND1 3.5Å; Q86-Y117 PolarHBondContact OE1-OH 2.94Å; Q86-D118 PolarHBondContact NE2-OD2 3.41Å
87S93Very high96Very high85 Ų8554 Ų5459%0.59432%0.319SS*.  trans-71.5153.4-178.965.90000113.2G89 G90S87-G89 VanDerWaalsContact C-N 3.29Å; S87-G89 PolarHBondContact O-N 3.17Å; S87-G90 PolarHBondContact O-N 3.39Å
88E86.7Confident96.1Very high141 Ų14154.4 Ų54.466%0.65932%0.32SS*.THydrogen-bonded Turntrans-67.6-25.1-179.3-55.2-153.7121.900115P14 R81 G90P14-E88 WeakPolarHBondContact CG-O 3.04Å; R81-E88 IonicContact CZ-OE1 2.7Å; R81-E88 IonicContact NH1-OE1 2.71Å; R81-E88 IonicContact NH2-OE1 3.78Å; R81-E88 PolarHBondContact NH2-OE1 3.49Å; E88-G90 VanDerWaalsContact C-N 3.26Å; E88-G90 PolarHBondContact O-N 3.01Å
89G89.7Confident96.2Very high65 Ų6552.6 Ų52.667%0.6730%0.301SS*.THydrogen-bonded Turntrans-78.3-6-18000000114.6S87S87-G89 VanDerWaalsContact C-N 3.29Å; S87-G89 PolarHBondContact O-N 3.17Å
90G92.1Very high96.3Very high20 Ų2050.1 Ų50.121%0.20629%0.286CS..  trans-79.4134.1179.900000112.7P14 S87 E88 H92P14-G90 WeakPolarHBondContact CG-O 3.38Å; S87-G90 PolarHBondContact O-N 3.39Å; E88-G90 VanDerWaalsContact C-N 3.26Å; E88-G90 PolarHBondContact O-N 3.01Å; G90-H92 PolarHBondContact O-CD2 3.05Å
91S96.7Very high96.3Very high74 Ų7450.8 Ų50.852%0.51729%0.29SS..  trans-84131.5165.9-179.10000108.8S12S12-S91 WeakPolarHBondContact O-CB 3.36Å; S12-S91 PolarHBondContact O-OG 3.32Å
92H98.1Very high96.5Very high16 Ų1647.3 Ų47.37%0.07428%0.277CS..  trans-131151.5-174.5-63.7-71.5000110.3V11 S12 L77 Q86 G90 Y117 D118V11-H92 WeakPolarHBondContact CA-O 3.46Å; S12-H92 PolarHBondContact N-O 3.2Å; S12-H92 PolarHBondContact OG-N 3.22Å; S12-H92 PolarHBondContact OG-O 2.88Å; L77-H92 HydrophobicContact CD2-CB 4.1Å; Q86-H92 PolarHBondContact NE2-CE1 3.29Å; Q86-H92 PolarHBondContact OE1-CE1 2.77Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.24Å; Q86-H92 PolarHBondContact OE1-ND1 3.5Å; G90-H92 PolarHBondContact O-CD2 3.05Å; H92-Y117 HydrophobicContact CB-CE2 3.91Å; H92-Y117 WeakPolarHBondContact CB-OH 3.24Å; H92-Y117 VanDerWaalsContact CG-OH 3.3Å; H92-Y117 PolarHBondContact ND1-OH 2.74Å; H92-D118 WeakPolarHBondContact CA-OD1 3.23Å; H92-D118 IonicContact CE1-OD2 3.67Å; H92-D118 IonicContact CG-OD1 3.22Å; H92-D118 IonicContact CG-OD2 3.32Å; H92-D118 IonicContact ND1-OD1 3.48Å; H92-D118 IonicContact ND1-OD2 3.31Å; H92-D118 PolarHBondContact ND1-OD2 3.48Å
93T98.6Very high96.5Very high35 Ų3545.8 Ų45.822%0.21526%0.262CS..EExtended strand (participates in β ladder)trans-126.2128.3-176.5-54.70000111.2T9 S10 V11 Q95 Y117 D118T9-T93 HydrophobicContact CG2-CG2 3.89Å; S10-T93 CarbonylContact O-C 3.59Å; S10-T93 VanDerWaalsContact O-CA 3.3Å; S10-T93 WeakPolarHBondContact O-CA 3.22Å; V11-T93 HydrophobicContact CG2-CG2 4.05Å; T93-Q95 HydrophobicContact CG2-CG 3.82Å; T93-Y117 CarbonylContact O-C 3.53Å; T93-Y117 WeakPolarHBondContact O-CA 3.47Å; T93-Y117 WeakPolarHBondContact O-CD2 3.43Å; T93-D118 PolarHBondContact N-OD1 3.29Å; T93-D118 PolarHBondContact O-N 3.08Å
94I98.6Very high96.4Very high7 Ų748.5 Ų48.54%0.03629%0.29CS..EExtended strand (participates in β ladder)trans-100.3134.3162.5-64.1174.7000107.7T9 S10 D76 L77 L80 A116 Y117T9-I94 WeakPolarHBondContact CA-O 3.42Å; S10-I94 PolarHBondContact N-O 3.35Å; S10-I94 PolarHBondContact O-N 3.28Å; D76-I94 HydrophobicContact CB-CD1 3.69Å; L77-I94 HydrophobicContact CB-CD1 4.41Å; L77-I94 HydrophobicContact CD2-CD1 4.01Å; L77-I94 HydrophobicContact CD2-CG1 3.8Å; L77-I94 HydrophobicContact CG-CD1 3.74Å; L77-I94 HydrophobicContact CG-CG1 4.07Å; L80-I94 HydrophobicContact CD1-CD1 3.57Å; L80-I94 HydrophobicContact CD1-CG1 3.67Å; I94-A116 WeakPolarHBondContact CA-O 3.26Å; I94-Y117 HydrophobicContact CG1-CD2 3.9Å; I94-Y117 HydrophobicContact CG1-CE2 4.24Å
95Q98.8Very high96.2Very high80 Ų8049.4 Ų49.437%0.37430%0.299SS..EExtended strand (participates in β ladder)trans-124.6137.4169.9-56.9-180-89.700109.3Y8 T9 T93 D115 A116Y8-Q95 VanDerWaalsContact O-CA 3.32Å; Y8-Q95 WeakPolarHBondContact O-CA 3.18Å; T9-Q95 HydrophobicContact CG2-CG 4.24Å; T93-Q95 HydrophobicContact CG2-CG 3.82Å; Q95-D115 CarbonylContact O-C 3.57Å; Q95-D115 VanDerWaalsContact O-CA 3.26Å; Q95-D115 WeakPolarHBondContact O-CA 3.15Å; Q95-A116 HydrophobicContact CB-CB 4.35Å; Q95-A116 PolarHBondContact N-O 2.85Å; Q95-A116 PolarHBondContact O-N 3.14Å
96M98.6Very high96.1Very high11 Ų1142.9 Ų42.95%0.05427%0.268CS..EExtended strand (participates in β ladder)trans-125.1133.1175.4178.1-178.1-49.400109.2F7 Y8 Y98 R113 Q114 D115F7-M96 CarbonylContact C-O 3.55Å; F7-M96 WeakPolarHBondContact CA-O 3.33Å; Y8-M96 HydrophobicContact CD2-SD 4.12Å; Y8-M96 PolarHBondContact N-O 3.4Å; Y8-M96 PolarHBondContact O-N 2.85Å; M96-Y98 HydrophobicContact CG-CD1 4.15Å; M96-Y98 HydrophobicContact SD-CD1 3.9Å; M96-Y98 HydrophobicContact SD-CE1 4.35Å; M96-R113 VanDerWaalsContact CE-CZ 3.49Å; M96-Q114 CarbonylContact C-O 3.48Å; M96-Q114 WeakPolarHBondContact CA-O 3.41Å; M96-D115 VanDerWaalsContact CB-OD1 3.28Å; M96-D115 WeakPolarHBondContact CB-OD1 3.46Å; M96-D115 VanDerWaalsContact CG-OD1 3.3Å; M96-D115 WeakPolarHBondContact CG-OD1 3.3Å
97M98.7Very high96.2Very high26 Ų2648 Ų4813%0.12829%0.285CS..EExtended strand (participates in β ladder)trans-121.8130.4167.3-174.6-81-68.200109.4Y6 F7 Y112 R113 Q114Y6-M97 WeakPolarHBondContact O-CA 2.96Å; F7-M97 HydrophobicContact CD1-CB 4Å; F7-M97 HydrophobicContact CD1-CG 3.65Å; F7-M97 HydrophobicContact CE1-CB 4.16Å; F7-M97 HydrophobicContact CE1-CG 3.38Å; F7-M97 HydrophobicContact CG-CG 4.5Å; F7-M97 HydrophobicContact CZ-CG 4.04Å; M97-Y112 HydrophobicContact CE-CD1 4.21Å; M97-Y112 HydrophobicContact CE-CG 4.33Å; M97-R113 CarbonylContact O-C 3.58Å; M97-R113 WeakPolarHBondContact O-CA 3.49Å; M97-Q114 HydrophobicContact CE-CG 4.36Å; M97-Q114 VanDerWaalsContact CE-OE1 3.29Å; M97-Q114 PolarHBondContact N-O 2.86Å; M97-Q114 PolarHBondContact O-N 2.84Å
98Y98.8Very high96.4Very high19 Ų1947.2 Ų47.28%0.07527%0.271CS..EExtended strand (participates in β ladder)trans-146.1160.7171.671.4-92.2000111.3R5 Y6 Y8 M96 Y112 W155 Y158R5-Y98 WeakPolarHBondContact CA-O 3.38Å; Y6-Y98 VanDerWaalsContact CB-CZ 3.46Å; Y6-Y98 HydrophobicContact CD2-CD2 4.31Å; Y6-Y98 AromaticContact CD2-CE2 3.51Å; Y6-Y98 HydrophobicContact CD2-CE2 3.51Å; Y6-Y98 AromaticContact CD2-CZ 3.72Å; Y6-Y98 HydrophobicContact CE2-CE2 4.31Å; Y6-Y98 HydrophobicContact CG-CE1 4.32Å; Y6-Y98 AromaticContact CG-CE2 3.97Å; Y6-Y98 HydrophobicContact CG-CE2 3.97Å; Y6-Y98 AromaticContact CG-CZ 3.69Å; Y6-Y98 PolarHBondContact N-O 2.84Å; Y6-Y98 PolarHBondContact O-N 3.29Å; Y6-Y98 VanDerWaalsContact O-N 3.11Å; Y8-Y98 HydrophobicContact CD2-CE1 4.15Å; Y8-Y98 HydrophobicContact CE1-CE1 4.21Å; Y8-Y98 AromaticContact CE2-CE1 3.57Å; Y8-Y98 HydrophobicContact CE2-CE1 3.57Å; Y8-Y98 AromaticContact CZ-CE1 3.63Å; Y8-Y98 AromaticContact CZ-CZ 3.98Å; Y8-Y98 PolarHBondContact OH-OH 2.82Å; M96-Y98 HydrophobicContact CG-CD1 4.15Å; M96-Y98 HydrophobicContact SD-CD1 3.9Å; M96-Y98 HydrophobicContact SD-CE1 4.35Å; Y98-Y112 WeakPolarHBondContact CA-O 3.44Å; Y98-Y112 VanDerWaalsContact CB-O 3.25Å; Y98-Y112 WeakPolarHBondContact CB-O 3.34Å; Y98-W155 HydrophobicContact CD1-CH2 4.31Å; Y98-W155 HydrophobicContact CD1-CZ3 4.44Å; Y98-W155 AromaticContact CD2-CZ3 3.95Å; Y98-W155 HydrophobicContact CD2-CZ3 3.95Å; Y98-W155 HydrophobicContact CE2-CZ3 4.48Å; Y98-W155 HydrophobicContact CG-CH2 4.24Å; Y98-W155 AromaticContact CG-CZ3 3.92Å; Y98-W155 HydrophobicContact CG-CZ3 3.92Å; Y98-Y158 AromaticContact CD2-CE1 3.82Å; Y98-Y158 HydrophobicContact CD2-CE1 3.82Å; Y98-Y158 AromaticContact CE2-CE1 3.78Å; Y98-Y158 HydrophobicContact CE2-CE1 3.78Å; Y98-Y158 AromaticContact CE2-CZ 3.92Å
99G98.8Very high97Very high0 Ų046.1 Ų46.10%027%0.269CS..EExtended strand (participates in β ladder)trans156.5-174.2179.400000113.2M4 G111 Y112 L159M4-G99 CarbonylContact O-C 3.6Å; M4-G99 WeakPolarHBondContact O-CA 3.02Å; G99-G111 CarbonylContact O-C 3.6Å; G99-G111 WeakPolarHBondContact O-CA 3.25Å; G99-Y112 PolarHBondContact N-O 3.37Å; G99-Y112 VanDerWaalsContact N-O 3.1Å; G99-Y112 WeakPolarHBondContact O-CD2 3.13Å; G99-Y112 PolarHBondContact O-N 3.31Å; G99-L159 WeakPolarHBondContact O-CD2 3.22Å
100C98.8Very high97.4Very high0 Ų046.6 Ų46.60%025%0.251CS..EExtended strand (participates in β ladder)trans-136.2150.8-175.454.90000111.3S3 M4 F108 R110 C163S3-C100 WeakPolarHBondContact CA-O 3.47Å; M4-C100 PolarHBondContact N-O 3.25Å; M4-C100 PolarHBondContact O-N 2.81Å; C100-F108 HydrophobicContact CB-CD2 4.49Å; C100-F108 HydrophobicContact CB-CE2 4.25Å; C100-R110 CarbonylContact C-O 3.58Å; C100-R110 VanDerWaalsContact CA-O 3.26Å; C100-R110 WeakPolarHBondContact CA-O 3.28Å; C100-C163 HydrophobicContact CB-CB 3.91Å; C100-C163 WeakPolarHBondContact CB-SG 3.21Å; C100-C163 PolarHBondContact N-SG 2.88Å; C100-C163 WeakPolarHBondContact SG-CB 3.11Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.29Å
101D98.7Very high97.7Very high25 Ų2545.9 Ų45.913%0.13424%0.243CC..EExtended strand (participates in β ladder)trans-110.3143169.9-56.3-17.6000109H2 S3 R5 L109 R110 Y112H2-D101 WeakPolarHBondContact O-CA 3.38Å; S3-D101 VanDerWaalsContact CB-OD1 3.26Å; S3-D101 WeakPolarHBondContact CB-OD1 3.4Å; R5-D101 IonicContact CZ-OD1 2.87Å; R5-D101 IonicContact NE-OD1 3.23Å; R5-D101 IonicContact NH2-OD1 3.66Å; R5-D101 PolarHBondContact NH2-OD1 3.11Å; R5-D101 IonicContact NH2-OD2 3.71Å; R5-D101 PolarHBondContact NH2-OD2 3.35Å; D101-L109 HydrophobicContact CB-CB 4.43Å; D101-L109 WeakPolarHBondContact O-CB 3.3Å; D101-L109 PolarHBondContact O-N 2.83Å; D101-R110 HydrophobicContact CB-CB 4.38Å; D101-R110 PolarHBondContact N-O 3.01Å; D101-R110 PolarHBondContact O-N 3.1Å; D101-Y112 WeakPolarHBondContact OD1-CE2 3.47Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.3Å; D101-Y112 VanDerWaalsContact OD2-CZ 3.31Å; D101-Y112 PolarHBondContact OD2-OH 3.42Å
102V98.6Very high97.8Very high2 Ų244 Ų441%0.01223%0.225CC..EExtended strand (participates in β ladder)trans-122.6144.5174.8-62.20000111.7S1 H2 R107 V164 L167S1-V102 VanDerWaalsContact CA-O 3.28Å; S1-V102 WeakPolarHBondContact CA-O 3.45Å; S1-V102 WeakPolarHBondContact CB-O 3.17Å; H2-V102 HydrophobicContact CB-CG2 3.99Å; H2-V102 PolarHBondContact N-O 2.81Å; H2-V102 VanDerWaalsContact N-O 3.07Å; H2-V102 PolarHBondContact O-N 3.2Å; V102-R107 CarbonylContact C-O 3.49Å; V102-R107 WeakPolarHBondContact CA-O 3.4Å; V102-R107 WeakPolarHBondContact CB-O 3.43Å; V102-V164 HydrophobicContact CG1-CB 4.44Å; V102-V164 HydrophobicContact CG1-CG1 3.96Å; V102-V164 HydrophobicContact CG1-CG2 4.06Å; V102-L167 HydrophobicContact CB-CD2 4.4Å; V102-L167 HydrophobicContact CG1-CD2 3.96Å; V102-L167 HydrophobicContact CG2-CD2 3.67Å; V102-L167 HydrophobicContact CG2-CG 4.29Å
103G97.5Very high97.8Very high14 Ų1443.6 Ų43.614%0.14422%0.223CC..  trans-64.8173.8172.900000112.7D105 G106 R107G103-D105 PolarHBondContact O-N 2.9Å; G103-G106 WeakPolarHBondContact O-CA 3.33Å; G103-G106 PolarHBondContact O-N 2.82Å; G103-R107 PolarHBondContact N-O 2.86Å
104S93.8Very high97.8Very high122 Ų12245.7 Ų45.785%0.85323%0.23SC*.THydrogen-bonded Turntrans-63.1-22.9173.150.60000113.3G106S104-G106 PolarHBondContact O-N 3.17Å
105D93.9Very high97.8Very high85 Ų8546.3 Ų46.346%0.45523%0.234SC..THydrogen-bonded Turntrans-83.95.8171.960.75.6000113G103 R107G103-D105 PolarHBondContact O-N 2.9Å; D105-R107 PolarHBondContact O-N 2.95Å; D105-R107 WeakPolarHBondContact OD1-CB 3.39Å; D105-R107 PolarHBondContact OD1-N 2.62Å; D105-R107 IonicContact OD1-NE 3.68Å; D105-R107 IonicContact OD2-CZ 3.22Å; D105-R107 IonicContact OD2-NE 3.52Å; D105-R107 PolarHBondContact OD2-NE 3.25Å; D105-R107 IonicContact OD2-NH2 3.4Å; D105-R107 PolarHBondContact OD2-NH2 2.84Å
106G93.8Very high97.8Very high16 Ų1643.3 Ų43.317%0.16522%0.223CC..SBendtrans71.13.6-17900000114.4G103 S104 R168G103-G106 WeakPolarHBondContact O-CA 3.33Å; G103-G106 PolarHBondContact O-N 2.82Å; S104-G106 PolarHBondContact O-N 3.17Å; G106-R168 PolarHBondContact O-NE 2.82Å; G106-R168 PolarHBondContact O-NH2 3.14Å
107R97.3Very high97.8Very high166 Ų16643.3 Ų43.363%0.62622%0.222SC*.  trans-77.7150.8179.1-68.4-171.2-71.3154.6-1.8111.3V102 G103 D105 L109V102-R107 CarbonylContact C-O 3.49Å; V102-R107 WeakPolarHBondContact CA-O 3.4Å; V102-R107 WeakPolarHBondContact CB-O 3.43Å; G103-R107 PolarHBondContact N-O 2.86Å; D105-R107 PolarHBondContact O-N 2.95Å; D105-R107 WeakPolarHBondContact OD1-CB 3.39Å; D105-R107 PolarHBondContact OD1-N 2.62Å; D105-R107 IonicContact OD1-NE 3.68Å; D105-R107 IonicContact OD2-CZ 3.22Å; D105-R107 IonicContact OD2-NE 3.52Å; D105-R107 PolarHBondContact OD2-NE 3.25Å; D105-R107 IonicContact OD2-NH2 3.4Å; D105-R107 PolarHBondContact OD2-NH2 2.84Å; R107-L109 PolarHBondContact O-N 3.22Å
108F98.5Very high97.8Very high67 Ų6745.1 Ų45.129%0.29423%0.233SC..EExtended strand (participates in β ladder)trans-53.1127.7175179.6-100.1000110.7C100 R110 L129 L159 E160 V164C100-F108 HydrophobicContact CB-CD2 4.49Å; C100-F108 HydrophobicContact CB-CE2 4.25Å; F108-R110 VanDerWaalsContact CE2-C 3.41Å; F108-R110 WeakPolarHBondContact CE2-O 3.38Å; F108-L129 HydrophobicContact CE1-CD1 4.04Å; F108-L129 HydrophobicContact CZ-CD1 3.69Å; F108-L159 WeakPolarHBondContact CD2-O 3.49Å; F108-L159 HydrophobicContact CE2-CB 4.35Å; F108-L159 WeakPolarHBondContact CE2-O 3.26Å; F108-E160 HydrophobicContact CD1-CG 4.26Å; F108-E160 HydrophobicContact CE1-CG 4.15Å; F108-E160 HydrophobicContact CE2-CG 4.43Å; F108-E160 HydrophobicContact CG-CG 4.46Å; F108-E160 HydrophobicContact CZ-CG 4.24Å; F108-V164 HydrophobicContact CB-CG2 4.05Å; F108-V164 HydrophobicContact CD2-CG2 3.74Å; F108-V164 HydrophobicContact CG-CG2 4.39Å
109L98.1Very high97.7Very high119 Ų11947 Ų4762%0.62326%0.258SS*.EExtended strand (participates in β ladder)trans-110.1-46.6176.3-17765.7000110.9D101 R107D101-L109 HydrophobicContact CB-CB 4.43Å; D101-L109 WeakPolarHBondContact O-CB 3.3Å; D101-L109 PolarHBondContact O-N 2.83Å; R107-L109 PolarHBondContact O-N 3.22Å
110R98.3Very high97.7Very high74 Ų7454.7 Ų54.728%0.27929%0.291SS..EExtended strand (participates in β ladder)trans-158.7148.9-174.7-174.1170.2177110.9-0.5112.1C100 D101 F108 Y112 E127C100-R110 CarbonylContact C-O 3.58Å; C100-R110 VanDerWaalsContact CA-O 3.26Å; C100-R110 WeakPolarHBondContact CA-O 3.28Å; D101-R110 HydrophobicContact CB-CB 4.38Å; D101-R110 PolarHBondContact N-O 3.01Å; D101-R110 PolarHBondContact O-N 3.1Å; F108-R110 VanDerWaalsContact CE2-C 3.41Å; F108-R110 WeakPolarHBondContact CE2-O 3.38Å; R110-Y112 HydrophobicContact CB-CE2 4.17Å; R110-Y112 VanDerWaalsContact CD-OH 3.23Å; R110-Y112 WeakPolarHBondContact CD-OH 3.41Å; R110-Y112 HydrophobicContact CG-CD2 4.43Å; R110-Y112 HydrophobicContact CG-CE1 4.32Å; R110-Y112 HydrophobicContact CG-CE2 3.75Å; R110-Y112 VanDerWaalsContact NE-CE1 3.29Å; R110-Y112 PolarHBondContact NE-OH 3.14Å; R110-E127 VanDerWaalsContact CZ-CD 3.48Å; R110-E127 IonicContact CZ-OE1 2.87Å; R110-E127 IonicContact NH1-OE1 3.4Å; R110-E127 PolarHBondContact NH1-OE1 2.9Å; R110-E127 IonicContact NH1-OE2 2.75Å; R110-E127 PolarHBondContact NH1-OE2 3.2Å; R110-E127 VanDerWaalsContact NH2-CD 3.33Å; R110-E127 IonicContact NH2-OE1 3.14Å; R110-E127 PolarHBondContact NH2-OE1 3.34Å
111G98.6Very high97.7Very high5 Ų561 Ų615%0.05233%0.325CS..EExtended strand (participates in β ladder)trans-121.6153.5174.400000111.4G99G99-G111 CarbonylContact O-C 3.6Å; G99-G111 WeakPolarHBondContact O-CA 3.25Å
112Y98.7Very high97.7Very high36 Ų3660.2 Ų60.214%0.14132%0.32CS..EExtended strand (participates in β ladder)trans-135.2140.8-177.7-56.1-98000110.3R5 M97 Y98 G99 D101 R110R5-Y112 PolarHBondContact NH2-OH 2.99Å; M97-Y112 HydrophobicContact CE-CD1 4.21Å; M97-Y112 HydrophobicContact CE-CG 4.33Å; Y98-Y112 WeakPolarHBondContact CA-O 3.44Å; Y98-Y112 VanDerWaalsContact CB-O 3.25Å; Y98-Y112 WeakPolarHBondContact CB-O 3.34Å; G99-Y112 PolarHBondContact N-O 3.37Å; G99-Y112 VanDerWaalsContact N-O 3.1Å; G99-Y112 WeakPolarHBondContact O-CD2 3.13Å; G99-Y112 PolarHBondContact O-N 3.31Å; D101-Y112 WeakPolarHBondContact OD1-CE2 3.47Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.3Å; D101-Y112 VanDerWaalsContact OD2-CZ 3.31Å; D101-Y112 PolarHBondContact OD2-OH 3.42Å; R110-Y112 HydrophobicContact CB-CE2 4.17Å; R110-Y112 VanDerWaalsContact CD-OH 3.23Å; R110-Y112 WeakPolarHBondContact CD-OH 3.41Å; R110-Y112 HydrophobicContact CG-CD2 4.43Å; R110-Y112 HydrophobicContact CG-CE1 4.32Å; R110-Y112 HydrophobicContact CG-CE2 3.75Å; R110-Y112 VanDerWaalsContact NE-CE1 3.29Å; R110-Y112 PolarHBondContact NE-OH 3.14Å
113R98.5Very high97.7Very high7 Ų760.3 Ų60.33%0.02632%0.321CS..EExtended strand (participates in β ladder)trans-154.8108.7167174.865.1-174.277.36.2107.6M96 M97 D115 L125 W132 W155M96-R113 VanDerWaalsContact CE-CZ 3.49Å; M97-R113 CarbonylContact O-C 3.58Å; M97-R113 WeakPolarHBondContact O-CA 3.49Å; R113-D115 IonicContact CZ-OD1 3.37Å; R113-D115 VanDerWaalsContact CZ-OD1 3.27Å; R113-D115 IonicContact CZ-OD2 3.86Å; R113-D115 IonicContact NH1-OD1 2.81Å; R113-D115 PolarHBondContact NH1-OD1 2.9Å; R113-D115 IonicContact NH1-OD2 3.82Å; R113-D115 PolarHBondContact NH1-OD2 3.39Å; R113-D115 VanDerWaalsContact NH1-OD2 3.14Å; R113-D115 VanDerWaalsContact NH2-CG 3.34Å; R113-D115 IonicContact NH2-OD1 2.73Å; R113-D115 PolarHBondContact NH2-OD1 2.74Å; R113-D115 IonicContact NH2-OD2 2.8Å; R113-D115 PolarHBondContact NH2-OD2 2.77Å; R113-L125 HydrophobicContact CB-CB 3.89Å; R113-L125 HydrophobicContact CB-CD2 4.19Å; R113-L125 PolarHBondContact O-N 3.48Å; R113-W132 HydrophobicContact CG-CH2 3.9Å; R113-W132 HydrophobicContact CG-CZ3 3.99Å; R113-W155 HydrophobicContact CB-CD2 4.38Å; R113-W155 HydrophobicContact CB-CE3 4.5Å; R113-W155 VanDerWaalsContact CD-CZ2 3.46Å; R113-W155 HydrophobicContact CG-CD2 3.88Å; R113-W155 HydrophobicContact CG-CE3 4.31Å; R113-W155 HydrophobicContact CG-CG 4.17Å; R113-W155 HydrophobicContact CG-CZ2 4.33Å
114Q98.6Very high97.8Very high79 Ų7960.9 Ų60.937%0.36932%0.324SS..EExtended strand (participates in β ladder)trans-137.5135.6-173.3-60.7178.5-14.900109.4M96 M97 A124M96-Q114 CarbonylContact C-O 3.48Å; M96-Q114 WeakPolarHBondContact CA-O 3.41Å; M97-Q114 HydrophobicContact CE-CG 4.36Å; M97-Q114 VanDerWaalsContact CE-OE1 3.29Å; M97-Q114 PolarHBondContact N-O 2.86Å; M97-Q114 PolarHBondContact O-N 2.84Å; Q114-A124 HydrophobicContact CB-CB 4.46Å; Q114-A124 HydrophobicContact CG-CB 3.88Å
115D98.7Very high98Very high19 Ų1955.6 Ų55.610%0.10229%0.286CS..EExtended strand (participates in β ladder)trans-115.9144.7171.5-70.3-26.6000111Q95 M96 R113 Y122 I123Q95-D115 CarbonylContact O-C 3.57Å; Q95-D115 VanDerWaalsContact O-CA 3.26Å; Q95-D115 WeakPolarHBondContact O-CA 3.15Å; M96-D115 VanDerWaalsContact CB-OD1 3.28Å; M96-D115 WeakPolarHBondContact CB-OD1 3.46Å; M96-D115 VanDerWaalsContact CG-OD1 3.3Å; M96-D115 WeakPolarHBondContact CG-OD1 3.3Å; R113-D115 IonicContact CZ-OD1 3.37Å; R113-D115 VanDerWaalsContact CZ-OD1 3.27Å; R113-D115 IonicContact CZ-OD2 3.86Å; R113-D115 IonicContact NH1-OD1 2.81Å; R113-D115 PolarHBondContact NH1-OD1 2.9Å; R113-D115 IonicContact NH1-OD2 3.82Å; R113-D115 PolarHBondContact NH1-OD2 3.39Å; R113-D115 VanDerWaalsContact NH1-OD2 3.14Å; R113-D115 VanDerWaalsContact NH2-CG 3.34Å; R113-D115 IonicContact NH2-OD1 2.73Å; R113-D115 PolarHBondContact NH2-OD1 2.74Å; R113-D115 IonicContact NH2-OD2 2.8Å; R113-D115 PolarHBondContact NH2-OD2 2.77Å; D115-Y122 HydrophobicContact CB-CD1 4.35Å; D115-Y122 WeakPolarHBondContact O-CB 3.49Å; D115-Y122 PolarHBondContact O-N 2.9Å; D115-I123 HydrophobicContact CB-CG2 4.11Å; D115-I123 PolarHBondContact N-O 2.95Å; D115-I123 PolarHBondContact O-N 2.84Å
116A98.8Very high98.2Very high18 Ų1855.6 Ų55.615%0.14928%0.282CS..EExtended strand (participates in β ladder)trans-125.3148.6169.300000110.4I94 Q95 K120I94-A116 WeakPolarHBondContact CA-O 3.26Å; Q95-A116 HydrophobicContact CB-CB 4.35Å; Q95-A116 PolarHBondContact N-O 2.85Å; Q95-A116 PolarHBondContact O-N 3.14Å; A116-K120 CarbonylContact C-O 3.54Å; A116-K120 WeakPolarHBondContact CA-O 3.4Å; A116-K120 WeakPolarHBondContact CB-O 3.4Å
117Y98.7Very high98.4Very high10 Ų1061.4 Ų61.44%0.03931%0.305CS..EExtended strand (participates in β ladder)trans-126.4126.8174.8-173.2-119.5000109.9L77 L80 Y84 Q86 H92 T93 I94 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4.36Å; L80-Y117 HydrophobicContact CB-CD1 4.49Å; L80-Y117 HydrophobicContact CB-CD2 4.19Å; L80-Y117 HydrophobicContact CB-CE1 4.09Å; L80-Y117 HydrophobicContact CB-CE2 3.78Å; L80-Y117 HydrophobicContact CD1-CD2 3.46Å; L80-Y117 VanDerWaalsContact CD1-CD2 3.46Å; L80-Y117 HydrophobicContact CD1-CE2 3.78Å; L80-Y117 HydrophobicContact CD1-CG 3.93Å; L80-Y117 HydrophobicContact CG-CD2 4.43Å; L80-Y117 HydrophobicContact CG-CE2 4.44Å; Y84-Y117 AromaticContact CD2-CD1 3.67Å; Y84-Y117 HydrophobicContact CD2-CD1 3.67Å; Y84-Y117 AromaticContact CD2-CE1 3.44Å; Y84-Y117 HydrophobicContact CD2-CE1 3.44Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.44Å; Y84-Y117 AromaticContact CE2-CD1 3.41Å; Y84-Y117 HydrophobicContact CE2-CD1 3.41Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.41Å; Y84-Y117 AromaticContact CE2-CE1 3.71Å; Y84-Y117 HydrophobicContact CE2-CE1 3.71Å; Y84-Y117 HydrophobicContact CE2-CG 4.36Å; Y84-Y117 HydrophobicContact CG-CE1 4.34Å; Q86-Y117 PolarHBondContact OE1-OH 2.94Å; H92-Y117 HydrophobicContact CB-CE2 3.91Å; H92-Y117 WeakPolarHBondContact CB-OH 3.24Å; H92-Y117 VanDerWaalsContact CG-OH 3.3Å; H92-Y117 PolarHBondContact ND1-OH 2.74Å; T93-Y117 CarbonylContact O-C 3.53Å; T93-Y117 WeakPolarHBondContact O-CA 3.47Å; T93-Y117 WeakPolarHBondContact O-CD2 3.43Å; I94-Y117 HydrophobicContact CG1-CD2 3.9Å; I94-Y117 HydrophobicContact CG1-CE2 4.24Å; Y117-G119 PolarHBondContact O-N 2.93Å; Y117-K120 PolarHBondContact N-O 3.46Å; Y117-K120 PolarHBondContact O-N 2.93Å
118D98.2Very high98.4Very high65 Ų6557.1 Ų57.135%0.34830%0.295SS..THydrogen-bonded Turntrans49.739.7-175.5-66.7-20.6000113.2Q86 H92 T93 K120Q86-D118 PolarHBondContact NE2-OD2 3.41Å; H92-D118 WeakPolarHBondContact CA-OD1 3.23Å; H92-D118 IonicContact CE1-OD2 3.67Å; H92-D118 IonicContact CG-OD1 3.22Å; H92-D118 IonicContact CG-OD2 3.32Å; H92-D118 IonicContact ND1-OD1 3.48Å; H92-D118 IonicContact ND1-OD2 3.31Å; H92-D118 PolarHBondContact ND1-OD2 3.48Å; T93-D118 PolarHBondContact N-OD1 3.29Å; T93-D118 PolarHBondContact O-N 3.08Å; D118-K120 VanDerWaalsContact C-N 3.3Å; D118-K120 PolarHBondContact O-N 3.24Å
119G97.4Very high98.4Very high59 Ų5954.2 Ų54.261%0.60828%0.282SS*.THydrogen-bonded Turntrans77.77.5177.300000115.3Y117Y117-G119 PolarHBondContact O-N 2.93Å
120K98.4Very high98.4Very high160 Ų16056.7 Ų56.770%0.69628%0.283SS*.EExtended strand (participates in β ladder)trans-113146.1175.4-62.8179.8-177.7176.20110.6A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.54Å; A116-K120 WeakPolarHBondContact CA-O 3.4Å; A116-K120 WeakPolarHBondContact CB-O 3.4Å; Y117-K120 PolarHBondContact N-O 3.46Å; Y117-K120 PolarHBondContact O-N 2.93Å; D118-K120 VanDerWaalsContact C-N 3.3Å; D118-K120 PolarHBondContact O-N 3.24Å; K120-Y122 PolarHBondContact O-N 3.26Å
121D98.6Very high98.4Very high133 Ų13354.5 Ų54.571%0.71128%0.279SS*.EExtended strand (participates in β ladder)trans-52135.9173.3-68.4-8.6000110.6A135D121-A135 HydrophobicContact CB-CB 4.28Å; D121-A135 WeakPolarHBondContact O-CB 3.37Å
122Y98.8Very high98.4Very high9 Ų954.3 Ų54.34%0.03528%0.277CS..EExtended strand (participates in β ladder)trans-114.2-65.9177.4-177.9-113.6000110.5L80 Y84 D115 K120 A135 A138 A139 T142L80-Y122 HydrophobicContact CD2-CD2 4.45Å; L80-Y122 HydrophobicContact CD2-CE1 3.84Å; L80-Y122 HydrophobicContact CD2-CE2 3.68Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.27Å; Y84-Y122 HydrophobicContact CE2-CE2 4.19Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.23Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.08Å; Y84-Y122 VanDerWaalsContact OH-CE2 3.31Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.04Å; D115-Y122 HydrophobicContact CB-CD1 4.35Å; D115-Y122 WeakPolarHBondContact O-CB 3.49Å; D115-Y122 PolarHBondContact O-N 2.9Å; K120-Y122 PolarHBondContact O-N 3.26Å; Y122-A135 WeakPolarHBondContact O-CB 3.43Å; Y122-A135 PolarHBondContact O-N 2.83Å; Y122-A138 HydrophobicContact CE2-CB 4.3Å; Y122-A138 PolarHBondContact OH-O 2.86Å; Y122-A139 HydrophobicContact CD2-CB 3.75Å; Y122-A139 VanDerWaalsContact CE2-CA 3.49Å; Y122-A139 HydrophobicContact CE2-CB 3.63Å; Y122-A139 HydrophobicContact CG-CB 4.26Å; Y122-A139 WeakPolarHBondContact O-CB 3.3Å; Y122-T142 HydrophobicContact CE1-CG2 4.21Å; Y122-T142 PolarHBondContact OH-OG1 3.25Å
123I98.8Very high98.4Very high3 Ų356.2 Ų56.22%0.01529%0.292CS..EExtended strand (participates in β ladder)trans-146.7141.1179.3-163.4173.3000110.9D115 W132 T133 T142 K143 W146D115-I123 HydrophobicContact CB-CG2 4.11Å; D115-I123 PolarHBondContact N-O 2.95Å; D115-I123 PolarHBondContact O-N 2.84Å; I123-W132 HydrophobicContact CD1-CB 4.12Å; I123-W132 HydrophobicContact CD1-CD2 4.38Å; I123-W132 HydrophobicContact CD1-CE3 4.24Å; I123-W132 HydrophobicContact CD1-CG 4.35Å; I123-W132 HydrophobicContact CG1-CB 4.19Å; I123-W132 HydrophobicContact CG1-CE3 4.06Å; I123-T133 CarbonylContact C-O 3.5Å; I123-T133 WeakPolarHBondContact CA-O 3.24Å; I123-T133 WeakPolarHBondContact CG1-O 3.42Å; I123-T142 HydrophobicContact CD1-CG2 4.05Å; I123-K143 HydrophobicContact CD1-CB 3.84Å; I123-W146 HydrophobicContact CD1-CE3 4Å; I123-W146 HydrophobicContact CD1-CZ3 4.2Å; I123-W146 HydrophobicContact CG2-CH2 3.99Å; I123-W146 HydrophobicContact CG2-CZ3 3.76Å
124A98.8Very high98.4Very high26 Ų2656.7 Ų56.722%0.21530%0.297CS..EExtended strand (participates in β ladder)trans-136.2135-178.500000111.7Q114 W132 T133Q114-A124 HydrophobicContact CB-CB 4.46Å; Q114-A124 HydrophobicContact CG-CB 3.88Å; A124-W132 CarbonylContact O-C 3.58Å; A124-W132 WeakPolarHBondContact O-CA 3.4Å; A124-T133 PolarHBondContact N-O 2.89Å; A124-T133 PolarHBondContact O-N 3.36Å
125L98.8Very high98.4Very high11 Ų1155.7 Ų55.76%0.05830%0.302CS..EExtended strand (participates in β ladder)trans-69.7129.6168.9-172.864.5000108.5R113 L129 W132 A152 W155 L159R113-L125 HydrophobicContact CB-CB 3.89Å; R113-L125 HydrophobicContact CB-CD2 4.19Å; R113-L125 PolarHBondContact O-N 3.48Å; L125-L129 HydrophobicContact CD2-CB 4.42Å; L125-L129 HydrophobicContact CD2-CD2 3.77Å; L125-L129 HydrophobicContact CG-CD2 4.3Å; L125-W132 HydrophobicContact CB-CE3 3.91Å; L125-W132 HydrophobicContact CB-CH2 4.01Å; L125-W132 HydrophobicContact CB-CZ3 3.58Å; L125-W132 HydrophobicContact CD1-CD2 4.05Å; L125-W132 HydrophobicContact CD1-CE3 4.22Å; L125-W132 HydrophobicContact CD1-CH2 4.02Å; L125-W132 HydrophobicContact CD1-CZ2 3.84Å; L125-W132 HydrophobicContact CD1-CZ3 4.2Å; L125-W132 HydrophobicContact CG-CH2 4.46Å; L125-W132 HydrophobicContact CG-CZ3 4.44Å; L125-W132 VanDerWaalsContact N-CE3 3.33Å; L125-A152 HydrophobicContact CD1-CB 3.93Å; L125-W155 HydrophobicContact CD2-CB 4.06Å; L125-L159 HydrophobicContact CD2-CD1 3.94Å
126K98.6Very high98.4Very high86 Ų8657.7 Ų57.737%0.37431%0.313SS..  trans-73.9166.8177.1-63.2-164.7-153.8159.60111.2D128 L129 S131 T133K126-D128 PolarHBondContact O-N 2.9Å; K126-D128 VanDerWaalsContact O-N 3.14Å; K126-L129 PolarHBondContact O-N 3.32Å; K126-S131 WeakPolarHBondContact CB-O 3.36Å; K126-S131 VanDerWaalsContact CD-OG 3.23Å; K126-S131 WeakPolarHBondContact CD-OG 3.47Å; K126-S131 WeakPolarHBondContact CE-OG 3.44Å; K126-S131 WeakPolarHBondContact CG-O 3.48Å; K126-S131 PolarHBondContact N-O 2.88Å; K126-S131 PolarHBondContact NZ-OG 3.33Å; K126-T133 VanDerWaalsContact CE-OG1 3.24Å; K126-T133 WeakPolarHBondContact CE-OG1 3.23Å; K126-T133 WeakPolarHBondContact CG-OG1 3.43Å
127E97.7Very high98.3Very high137 Ų13764.1 Ų64.164%0.6434%0.342SS*.THydrogen-bonded Turntrans-61.2-24-179-39.6-166.3160.200113.1R110 L129R110-E127 VanDerWaalsContact CZ-CD 3.48Å; R110-E127 IonicContact CZ-OE1 2.87Å; R110-E127 IonicContact NH1-OE1 3.4Å; R110-E127 PolarHBondContact NH1-OE1 2.9Å; R110-E127 IonicContact NH1-OE2 2.75Å; R110-E127 PolarHBondContact NH1-OE2 3.2Å; R110-E127 VanDerWaalsContact NH2-CD 3.33Å; R110-E127 IonicContact NH2-OE1 3.14Å; R110-E127 PolarHBondContact NH2-OE1 3.34Å; E127-L129 PolarHBondContact O-N 3.08Å
128D97.7Very high98.2Very high77 Ų7764.2 Ų64.241%0.41235%0.345SS..THydrogen-bonded Turntrans-69.3-10.5174.766.413.4000113.7K126 R130 S131K126-D128 PolarHBondContact O-N 2.9Å; K126-D128 VanDerWaalsContact O-N 3.14Å; D128-R130 WeakPolarHBondContact O-CG 3.35Å; D128-R130 PolarHBondContact O-N 2.95Å; D128-R130 VanDerWaalsContact O-N 3.14Å; D128-R130 PolarHBondContact OD1-N 3.24Å; D128-S131 PolarHBondContact OD1-N 3.02Å; D128-S131 PolarHBondContact OD1-OG 3.16Å; D128-S131 PolarHBondContact OD2-OG 2.82Å
129L98.3Very high98.2Very high5 Ų561.1 Ų61.13%0.02633%0.328CS..SBendtrans52.726.4-174.6-51.3-179.9000114.1F108 L125 K126 E127 R156 L159 E160F108-L129 HydrophobicContact CE1-CD1 4.04Å; F108-L129 HydrophobicContact CZ-CD1 3.69Å; L125-L129 HydrophobicContact CD2-CB 4.42Å; L125-L129 HydrophobicContact CD2-CD2 3.77Å; L125-L129 HydrophobicContact CG-CD2 4.3Å; K126-L129 PolarHBondContact O-N 3.32Å; E127-L129 PolarHBondContact O-N 3.08Å; L129-R156 HydrophobicContact CB-CB 4.07Å; L129-R156 HydrophobicContact CB-CG 3.93Å; L129-R156 HydrophobicContact CD1-CG 4.04Å; L129-L159 HydrophobicContact CD2-CD1 4Å; L129-E160 HydrophobicContact CD1-CG 4.08Å
130R97.6Very high98.2Very high172 Ų17261 Ų6165%0.64931%0.312SS*.SBendtrans-130.7-29.7-174.7-71.4171.3-173-130.55.6112.3D128 A152D128-R130 WeakPolarHBondContact O-CG 3.35Å; D128-R130 PolarHBondContact O-N 2.95Å; D128-R130 VanDerWaalsContact O-N 3.14Å; D128-R130 PolarHBondContact OD1-N 3.24Å; R130-A152 WeakPolarHBondContact O-CB 3.44Å
131S97.6Very high98.2Very high27 Ų2756.2 Ų56.219%0.18930%0.296CS..  trans-123.4158.7-176.6720000112.5K126 D128K126-S131 WeakPolarHBondContact CB-O 3.36Å; K126-S131 VanDerWaalsContact CD-OG 3.23Å; K126-S131 WeakPolarHBondContact CD-OG 3.47Å; K126-S131 WeakPolarHBondContact CE-OG 3.44Å; K126-S131 WeakPolarHBondContact CG-O 3.48Å; K126-S131 PolarHBondContact N-O 2.88Å; K126-S131 PolarHBondContact NZ-OG 3.33Å; D128-S131 PolarHBondContact OD1-N 3.02Å; D128-S131 PolarHBondContact OD1-OG 3.16Å; D128-S131 PolarHBondContact OD2-OG 2.82Å
132W98.8Very high98.2Very high2 Ų250.8 Ų50.81%0.00827%0.268CS..EExtended strand (participates in β ladder)trans-113.8143.8-177.6-58.791.3000111.7R113 I123 A124 L125 K143 W146 V151 A152 W155R113-W132 HydrophobicContact CG-CH2 3.9Å; R113-W132 HydrophobicContact CG-CZ3 3.99Å; I123-W132 HydrophobicContact CD1-CB 4.12Å; I123-W132 HydrophobicContact CD1-CD2 4.38Å; I123-W132 HydrophobicContact CD1-CE3 4.24Å; I123-W132 HydrophobicContact CD1-CG 4.35Å; I123-W132 HydrophobicContact CG1-CB 4.19Å; I123-W132 HydrophobicContact CG1-CE3 4.06Å; A124-W132 CarbonylContact O-C 3.58Å; A124-W132 WeakPolarHBondContact O-CA 3.4Å; L125-W132 HydrophobicContact CB-CE3 3.91Å; L125-W132 HydrophobicContact CB-CH2 4.01Å; L125-W132 HydrophobicContact CB-CZ3 3.58Å; L125-W132 HydrophobicContact CD1-CD2 4.05Å; L125-W132 HydrophobicContact CD1-CE3 4.22Å; L125-W132 HydrophobicContact CD1-CH2 4.02Å; L125-W132 HydrophobicContact CD1-CZ2 3.84Å; L125-W132 HydrophobicContact CD1-CZ3 4.2Å; L125-W132 HydrophobicContact CG-CH2 4.46Å; L125-W132 HydrophobicContact CG-CZ3 4.44Å; L125-W132 VanDerWaalsContact N-CE3 3.33Å; W132-K143 HydrophobicContact CB-CD 4.23Å; W132-K143 HydrophobicContact CB-CG 4.09Å; W132-K143 WeakPolarHBondContact O-CE 3Å; W132-K143 PolarHBondContact O-NZ 3.4Å; W132-W146 AromaticContact CD2-CE3 3.82Å; W132-W146 HydrophobicContact CD2-CE3 3.82Å; W132-W146 HydrophobicContact CD2-CZ3 4.3Å; W132-W146 AromaticContact CE2-CE3 3.64Å; W132-W146 AromaticContact CE3-CE3 3.78Å; W132-W146 HydrophobicContact CE3-CE3 3.78Å; W132-W146 AromaticContact CE3-CZ3 3.77Å; W132-W146 HydrophobicContact CE3-CZ3 3.77Å; W132-W146 AromaticContact CH2-CE3 3.45Å; W132-W146 HydrophobicContact CH2-CE3 3.45Å; W132-W146 VanDerWaalsContact CH2-CE3 3.45Å; W132-W146 HydrophobicContact CH2-CH2 4.49Å; W132-W146 AromaticContact CH2-CZ3 3.37Å; W132-W146 HydrophobicContact CH2-CZ3 3.37Å; W132-W146 HydrophobicContact CZ2-CD2 4.43Å; W132-W146 AromaticContact CZ2-CE3 3.47Å; W132-W146 HydrophobicContact CZ2-CE3 3.47Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.47Å; W132-W146 AromaticContact CZ2-CZ3 3.92Å; W132-W146 HydrophobicContact CZ2-CZ3 3.92Å; W132-W146 AromaticContact CZ3-CE3 3.62Å; W132-W146 HydrophobicContact CZ3-CE3 3.62Å; W132-W146 HydrophobicContact CZ3-CH2 4.49Å; W132-W146 AromaticContact CZ3-CZ3 3.29Å; W132-W146 HydrophobicContact CZ3-CZ3 3.29Å; W132-V151 HydrophobicContact CZ2-CB 4.4Å; W132-V151 HydrophobicContact CZ2-CG1 4.09Å; W132-A152 HydrophobicContact CZ2-CB 4.3Å; W132-W155 AromaticContact CH2-CD1 3.89Å
133T98.7Very high98.1Very high76 Ų7652.2 Ų52.247%0.46627%0.274SS..EExtended strand (participates in β ladder)trans-100.6121164.7-61.10000108.1I123 A124 K126I123-T133 CarbonylContact C-O 3.5Å; I123-T133 WeakPolarHBondContact CA-O 3.24Å; I123-T133 WeakPolarHBondContact CG1-O 3.42Å; A124-T133 PolarHBondContact N-O 2.89Å; A124-T133 PolarHBondContact O-N 3.36Å; K126-T133 VanDerWaalsContact CE-OG1 3.24Å; K126-T133 WeakPolarHBondContact CE-OG1 3.23Å; K126-T133 WeakPolarHBondContact CG-OG1 3.43Å
134A98.7Very high98.1Very high16 Ų1657.6 Ų57.613%0.13230%0.299CS..EExtended strand (participates in β ladder)trans-102136.4174.300000109.1A139 Q140 K143A134-A139 HydrophobicContact CB-CB 3.69Å; A134-Q140 HydrophobicContact CB-CG 4.24Å; A134-K143 HydrophobicContact CB-CB 4.28Å; A134-K143 HydrophobicContact CB-CD 4.18Å
135A98.4Very high98.1Very high58 Ų5862 Ų6248%0.47931%0.313SS..SBendtrans-77.8-32.6-175.200000113.3D121 Y122D121-A135 HydrophobicContact CB-CB 4.28Å; D121-A135 WeakPolarHBondContact O-CB 3.37Å; Y122-A135 WeakPolarHBondContact O-CB 3.43Å; Y122-A135 PolarHBondContact O-N 2.83Å
136D98.1Very high98.1Very high61 Ų6164 Ų6433%0.32632%0.32SS..SBendtrans-151.2-173.6-17965.723.3000112.7Y84 A138 A139 Q140Y84-D136 VanDerWaalsContact CE1-OD2 3.3Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.4Å; Y84-D136 PolarHBondContact OH-OD1 3.14Å; Y84-D136 PolarHBondContact OH-OD2 3.37Å; D136-A138 VanDerWaalsContact C-N 3.33Å; D136-A138 PolarHBondContact O-N 2.84Å; D136-A138 WeakPolarHBondContact OD1-CB 3.39Å; D136-A138 PolarHBondContact OD1-N 3.14Å; D136-A139 PolarHBondContact O-N 2.81Å; D136-A139 PolarHBondContact OD1-N 3.01Å; D136-Q140 WeakPolarHBondContact O-CG 3.42Å; D136-Q140 PolarHBondContact O-N 2.94Å
137M96.9Very high98Very high154 Ų15463.5 Ų63.576%0.75932%0.319SS*.Hα-helixtrans-65.1-32.1-178.2-67-55-58.800113.7Q140 T141M137-Q140 PolarHBondContact O-N 2.88Å; M137-Q140 HydrophobicContact SD-CG 4.47Å; M137-T141 PolarHBondContact O-N 2.99Å; M137-T141 PolarHBondContact O-OG1 2.88Å
138A96.8Very high98.1Very high12 Ų1260.9 Ų60.910%0.09932%0.321CS..Hα-helixtrans-66.5-46.4174.400000109.5Y83 Y84 Y122 D136 Q140 T141Y83-A138 HydrophobicContact CD2-CB 4.48Å; Y84-A138 HydrophobicContact CD1-CB 4.27Å; Y84-A138 HydrophobicContact CE1-CB 3.66Å; Y84-A138 HydrophobicContact CE2-CB 3.95Å; Y84-A138 VanDerWaalsContact CZ-CB 3.48Å; Y122-A138 HydrophobicContact CE2-CB 4.3Å; Y122-A138 PolarHBondContact OH-O 2.86Å; D136-A138 VanDerWaalsContact C-N 3.33Å; D136-A138 PolarHBondContact O-N 2.84Å; D136-A138 WeakPolarHBondContact OD1-CB 3.39Å; D136-A138 PolarHBondContact OD1-N 3.14Å; A138-Q140 VanDerWaalsContact C-N 3.3Å; A138-Q140 PolarHBondContact O-N 3.31Å; A138-T141 VanDerWaalsContact O-CB 3.23Å; A138-T141 WeakPolarHBondContact O-CB 3.33Å; A138-T141 PolarHBondContact O-N 3.32Å; A138-T141 PolarHBondContact O-OG1 3.22Å
139A98.3Very high98.1Very high0 Ų059.9 Ų59.90%032%0.323CS..Hα-helixtrans-62.5-31.7175.700000113.6Y122 A134 D136 T141 T142 K143Y122-A139 HydrophobicContact CD2-CB 3.75Å; Y122-A139 VanDerWaalsContact CE2-CA 3.49Å; Y122-A139 HydrophobicContact CE2-CB 3.63Å; Y122-A139 HydrophobicContact CG-CB 4.26Å; Y122-A139 WeakPolarHBondContact O-CB 3.3Å; A134-A139 HydrophobicContact CB-CB 3.69Å; D136-A139 PolarHBondContact O-N 2.81Å; D136-A139 PolarHBondContact OD1-N 3.01Å; A139-T141 PolarHBondContact O-N 2.8Å; A139-T142 PolarHBondContact O-N 3.25Å; A139-K143 PolarHBondContact O-N 3Å
140Q98.4Very high98.1Very high57 Ų5764.7 Ų64.727%0.26635%0.345SS..Hα-helixtrans-59.2-35.9172.7-68.1-65.3-13.700111.8A134 D136 M137 A138 T142 K143 H144A134-Q140 HydrophobicContact CB-CG 4.24Å; D136-Q140 WeakPolarHBondContact O-CG 3.42Å; D136-Q140 PolarHBondContact O-N 2.94Å; M137-Q140 PolarHBondContact O-N 2.88Å; M137-Q140 HydrophobicContact SD-CG 4.47Å; A138-Q140 VanDerWaalsContact C-N 3.3Å; A138-Q140 PolarHBondContact O-N 3.31Å; Q140-T142 PolarHBondContact O-N 2.93Å; Q140-K143 WeakPolarHBondContact O-CB 3.23Å; Q140-K143 PolarHBondContact O-N 3.01Å; Q140-H144 PolarHBondContact O-CD2 3.39Å; Q140-H144 PolarHBondContact O-N 3.24Å
141T97.4Very high98.1Very high59 Ų5957.5 Ų57.536%0.36232%0.32SS..Hα-helixtrans-62-44.7175.8-53.80000111.4Y83 M137 A138 A139 K145Y83-T141 HydrophobicContact CE1-CG2 4.32Å; Y83-T141 HydrophobicContact CE2-CG2 4.08Å; Y83-T141 WeakPolarHBondContact OH-CG2 3.34Å; M137-T141 PolarHBondContact O-N 2.99Å; M137-T141 PolarHBondContact O-OG1 2.88Å; A138-T141 VanDerWaalsContact O-CB 3.23Å; A138-T141 WeakPolarHBondContact O-CB 3.33Å; A138-T141 PolarHBondContact O-N 3.32Å; A138-T141 PolarHBondContact O-OG1 3.22Å; A139-T141 PolarHBondContact O-N 2.8Å; T141-K145 WeakPolarHBondContact O-CG 3.22Å; T141-K145 PolarHBondContact O-N 3.24Å
142T98Very high98.2Very high18 Ų1856.5 Ų56.511%0.1131%0.314CS..Hα-helixtrans-64.5-44.5174.4-67.80000111.3Y122 I123 A139 Q140 H144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.21Å; Y122-T142 PolarHBondContact OH-OG1 3.25Å; I123-T142 HydrophobicContact CD1-CG2 4.05Å; A139-T142 PolarHBondContact O-N 3.25Å; Q140-T142 PolarHBondContact O-N 2.93Å; T142-H144 PolarHBondContact O-N 3.13Å; T142-K145 WeakPolarHBondContact O-CB 3.31Å; T142-K145 PolarHBondContact O-N 3.49Å; T142-W146 HydrophobicContact CG2-CD2 3.88Å; T142-W146 HydrophobicContact CG2-CE3 4.38Å; T142-W146 HydrophobicContact CG2-CG 4.2Å; T142-W146 HydrophobicContact CG2-CH2 4.43Å; T142-W146 HydrophobicContact CG2-CZ2 3.96Å; T142-W146 PolarHBondContact O-N 3.37Å
143K98.6Very high98.1Very high39 Ų3962.4 Ų62.417%0.1734%0.342CS..Hα-helixtrans-54.3-50178.6173.2174.3172.4-175.80111.9I123 W132 A134 A139 Q140 K145 W146 E147I123-K143 HydrophobicContact CD1-CB 3.84Å; W132-K143 HydrophobicContact CB-CD 4.23Å; W132-K143 HydrophobicContact CB-CG 4.09Å; W132-K143 WeakPolarHBondContact O-CE 3Å; W132-K143 PolarHBondContact O-NZ 3.4Å; A134-K143 HydrophobicContact CB-CB 4.28Å; A134-K143 HydrophobicContact CB-CD 4.18Å; A139-K143 PolarHBondContact O-N 3Å; Q140-K143 WeakPolarHBondContact O-CB 3.23Å; Q140-K143 PolarHBondContact O-N 3.01Å; K143-K145 VanDerWaalsContact C-N 3.32Å; K143-K145 PolarHBondContact O-N 3.2Å; K143-W146 PolarHBondContact O-N 2.73Å; K143-W146 VanDerWaalsContact O-N 3.16Å; K143-E147 WeakPolarHBondContact CE-OE1 3.36Å; K143-E147 HydrophobicContact CG-CG 4.29Å; K143-E147 IonicContact NZ-OE1 2.69Å; K143-E147 WeakPolarHBondContact O-CB 3.32Å; K143-E147 WeakPolarHBondContact O-CG 3.33Å; K143-E147 PolarHBondContact O-N 3.41Å
144H98.4Very high98.1Very high117 Ų11765.1 Ų65.154%0.54235%0.349SS..Hα-helixtrans-61.1-40179.9-70.4-44.1000112.9Q140 T142 E147 A148Q140-H144 PolarHBondContact O-CD2 3.39Å; Q140-H144 PolarHBondContact O-N 3.24Å; T142-H144 PolarHBondContact O-N 3.13Å; H144-E147 IonicContact ND1-OE2 3.1Å; H144-A148 WeakPolarHBondContact O-CB 3.44Å; H144-A148 PolarHBondContact O-N 3.45Å
145K97.8Very high98.1Very high118 Ų11866.7 Ų66.751%0.51335%0.352SS..Hα-helixtrans-62.8-43.9174.8-70.9176.6174.1-176.50111.7Y83 T141 T142 K143 A148 A149Y83-K145 PolarHBondContact OH-NZ 2.83Å; T141-K145 WeakPolarHBondContact O-CG 3.22Å; T141-K145 PolarHBondContact O-N 3.24Å; T142-K145 WeakPolarHBondContact O-CB 3.31Å; T142-K145 PolarHBondContact O-N 3.49Å; K143-K145 VanDerWaalsContact C-N 3.32Å; K143-K145 PolarHBondContact O-N 3.2Å; K145-A148 PolarHBondContact O-N 3.19Å; K145-A149 WeakPolarHBondContact O-CB 3.39Å; K145-A149 PolarHBondContact O-N 2.98Å
146W98.3Very high98.1Very high54 Ų5467.7 Ų67.721%0.20534%0.343CS..Hα-helixtrans-71-35-178.4-77.412.3000113.1I123 W132 T142 K143 A149 H150 V151I123-W146 HydrophobicContact CD1-CE3 4Å; I123-W146 HydrophobicContact CD1-CZ3 4.2Å; I123-W146 HydrophobicContact CG2-CH2 3.99Å; I123-W146 HydrophobicContact CG2-CZ3 3.76Å; W132-W146 AromaticContact CD2-CE3 3.82Å; W132-W146 HydrophobicContact CD2-CE3 3.82Å; W132-W146 HydrophobicContact CD2-CZ3 4.3Å; W132-W146 AromaticContact CE2-CE3 3.64Å; W132-W146 AromaticContact CE3-CE3 3.78Å; W132-W146 HydrophobicContact CE3-CE3 3.78Å; W132-W146 AromaticContact CE3-CZ3 3.77Å; W132-W146 HydrophobicContact CE3-CZ3 3.77Å; W132-W146 AromaticContact CH2-CE3 3.45Å; W132-W146 HydrophobicContact CH2-CE3 3.45Å; W132-W146 VanDerWaalsContact CH2-CE3 3.45Å; W132-W146 HydrophobicContact CH2-CH2 4.49Å; W132-W146 AromaticContact CH2-CZ3 3.37Å; W132-W146 HydrophobicContact CH2-CZ3 3.37Å; W132-W146 HydrophobicContact CZ2-CD2 4.43Å; W132-W146 AromaticContact CZ2-CE3 3.47Å; W132-W146 HydrophobicContact CZ2-CE3 3.47Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.47Å; W132-W146 AromaticContact CZ2-CZ3 3.92Å; W132-W146 HydrophobicContact CZ2-CZ3 3.92Å; W132-W146 AromaticContact CZ3-CE3 3.62Å; W132-W146 HydrophobicContact CZ3-CE3 3.62Å; W132-W146 HydrophobicContact CZ3-CH2 4.49Å; W132-W146 AromaticContact CZ3-CZ3 3.29Å; W132-W146 HydrophobicContact CZ3-CZ3 3.29Å; T142-W146 HydrophobicContact CG2-CD2 3.88Å; T142-W146 HydrophobicContact CG2-CE3 4.38Å; T142-W146 HydrophobicContact CG2-CG 4.2Å; T142-W146 HydrophobicContact CG2-CH2 4.43Å; T142-W146 HydrophobicContact CG2-CZ2 3.96Å; T142-W146 PolarHBondContact O-N 3.37Å; K143-W146 PolarHBondContact O-N 2.73Å; K143-W146 VanDerWaalsContact O-N 3.16Å; W146-A149 CarbonylContact O-C 3.57Å; W146-A149 PolarHBondContact O-N 3.29Å; W146-H150 PolarHBondContact O-N 3.14Å; W146-H150 VanDerWaalsContact O-N 3.07Å; W146-V151 HydrophobicContact CB-CB 3.95Å; W146-V151 HydrophobicContact CB-CG2 3.97Å; W146-V151 HydrophobicContact CD2-CB 4.42Å; W146-V151 HydrophobicContact CD2-CG1 4.17Å; W146-V151 HydrophobicContact CE3-CG1 4.42Å; W146-V151 HydrophobicContact CG-CB 4.05Å; W146-V151 HydrophobicContact CG-CG1 4.29Å; W146-V151 HydrophobicContact CG-CG2 3.91Å; W146-V151 PolarHBondContact O-N 2.82Å
147E98.4Very high98.1Very high75 Ų7568 Ų6835%0.3535%0.353SS..Hα-helixtrans-65.5-46.9172.4-73.3174.6160.200110.8K143 H144 A149 H150K143-E147 WeakPolarHBondContact CE-OE1 3.36Å; K143-E147 HydrophobicContact CG-CG 4.29Å; K143-E147 IonicContact NZ-OE1 2.69Å; K143-E147 WeakPolarHBondContact O-CB 3.32Å; K143-E147 WeakPolarHBondContact O-CG 3.33Å; K143-E147 PolarHBondContact O-N 3.41Å; H144-E147 IonicContact ND1-OE2 3.1Å; E147-A149 VanDerWaalsContact C-N 3.25Å; E147-A149 PolarHBondContact O-N 2.84Å; E147-H150 PolarHBondContact O-N 3.37Å; E147-H150 VanDerWaalsContact O-N 3.15Å
148A98.3Very high98.2Very high82 Ų8263.3 Ų63.368%0.67833%0.328SS*.Hα-helixtrans-62.9-31176.800000113.3H144 K145H144-A148 WeakPolarHBondContact O-CB 3.44Å; H144-A148 PolarHBondContact O-N 3.45Å; K145-A148 PolarHBondContact O-N 3.19Å
149A98.1Very high98.3Very high55 Ų5562.7 Ų62.746%0.45532%0.323SS..THydrogen-bonded Turntrans-947.4178.100000113.9K145 W146 E147 V151K145-A149 WeakPolarHBondContact O-CB 3.39Å; K145-A149 PolarHBondContact O-N 2.98Å; W146-A149 CarbonylContact O-C 3.57Å; W146-A149 PolarHBondContact O-N 3.29Å; E147-A149 VanDerWaalsContact C-N 3.25Å; E147-A149 PolarHBondContact O-N 2.84Å; A149-V151 HydrophobicContact CB-CG2 3.96Å; A149-V151 PolarHBondContact O-N 2.79Å; A149-V151 VanDerWaalsContact O-N 3.17Å
150H97.7Very high98.3Very high107 Ų10766.4 Ų66.450%0.49534%0.34SS..THydrogen-bonded Turntrans53.235.6179.3-62.8-93000113.9W146 E147 A152 E153W146-H150 PolarHBondContact O-N 3.14Å; W146-H150 VanDerWaalsContact O-N 3.07Å; E147-H150 PolarHBondContact O-N 3.37Å; E147-H150 VanDerWaalsContact O-N 3.15Å; H150-A152 PolarHBondContact O-N 3.21Å; H150-E153 HydrophobicContact CB-CG 4.42Å; H150-E153 IonicContact CE1-OE1 3.91Å; H150-E153 IonicContact CG-OE1 3.72Å; H150-E153 IonicContact ND1-OE1 2.91Å; H150-E153 PolarHBondContact ND1-OE1 3.37Å; H150-E153 WeakPolarHBondContact O-CB 3.3Å; H150-E153 PolarHBondContact O-N 3.48Å; H150-E153 VanDerWaalsContact O-N 3.09Å
151V98.4Very high98.3Very high20 Ų2064.7 Ų64.712%0.12134%0.338CS..Hα-helixtrans-63.5-30.1-174.6177.90000111.9W132 W146 A149 E153 Q154 W155W132-V151 HydrophobicContact CZ2-CB 4.4Å; W132-V151 HydrophobicContact CZ2-CG1 4.09Å; W146-V151 HydrophobicContact CB-CB 3.95Å; W146-V151 HydrophobicContact CB-CG2 3.97Å; W146-V151 HydrophobicContact CD2-CB 4.42Å; W146-V151 HydrophobicContact CD2-CG1 4.17Å; W146-V151 HydrophobicContact CE3-CG1 4.42Å; W146-V151 HydrophobicContact CG-CB 4.05Å; W146-V151 HydrophobicContact CG-CG1 4.29Å; W146-V151 HydrophobicContact CG-CG2 3.91Å; W146-V151 PolarHBondContact O-N 2.82Å; A149-V151 HydrophobicContact CB-CG2 3.96Å; A149-V151 PolarHBondContact O-N 2.79Å; A149-V151 VanDerWaalsContact O-N 3.17Å; V151-E153 VanDerWaalsContact C-N 3.28Å; V151-E153 PolarHBondContact O-N 3.11Å; V151-Q154 PolarHBondContact O-N 3.34Å; V151-W155 VanDerWaalsContact O-CD1 3.3Å; V151-W155 PolarHBondContact O-N 2.99Å
152A98.6Very high98.3Very high7 Ų764.7 Ų64.76%0.05834%0.338CS..Hα-helixtrans-59.9-37175.900000112.5L125 R130 W132 H150 Q154 W155 R156L125-A152 HydrophobicContact CD1-CB 3.93Å; R130-A152 WeakPolarHBondContact O-CB 3.44Å; W132-A152 HydrophobicContact CZ2-CB 4.3Å; H150-A152 PolarHBondContact O-N 3.21Å; A152-Q154 PolarHBondContact O-N 2.87Å; A152-W155 PolarHBondContact O-N 3.26Å; A152-R156 VanDerWaalsContact O-CB 3.3Å; A152-R156 WeakPolarHBondContact O-CB 3.3Å; A152-R156 PolarHBondContact O-N 3.22Å
153E98.3Very high98.4Very high126 Ų12663.9 Ų63.959%0.58933%0.333SS*.Hα-helixtrans-67.6-38-178.9-64174.1-158.500111.6H150 V151 R156 A157H150-E153 HydrophobicContact CB-CG 4.42Å; H150-E153 IonicContact CE1-OE1 3.91Å; H150-E153 IonicContact CG-OE1 3.72Å; H150-E153 IonicContact ND1-OE1 2.91Å; H150-E153 PolarHBondContact ND1-OE1 3.37Å; H150-E153 WeakPolarHBondContact O-CB 3.3Å; H150-E153 PolarHBondContact O-N 3.48Å; H150-E153 VanDerWaalsContact O-N 3.09Å; V151-E153 VanDerWaalsContact C-N 3.28Å; V151-E153 PolarHBondContact O-N 3.11Å; E153-R156 PolarHBondContact O-N 3.48Å; E153-A157 PolarHBondContact O-N 3.09Å
154Q97.9Very high98.4Very high132 Ų13262.4 Ų62.462%0.61733%0.327SS*.Hα-helixtrans-64.9-45.6175.6-58.9177.934.600111.2V151 A152 A157 Y158V151-Q154 PolarHBondContact O-N 3.34Å; A152-Q154 PolarHBondContact O-N 2.87Å; Q154-A157 PolarHBondContact O-N 3.39Å; Q154-Y158 PolarHBondContact O-N 2.83Å; Q154-Y158 VanDerWaalsContact O-N 3.13Å
155W98.5Very high98.4Very high50 Ų5062.8 Ų62.819%0.18933%0.329CS..Hα-helixtrans-64.4-41.5175.8-79.8108.3000111.9Y98 R113 L125 W132 V151 A152 A157 Y158 L159Y98-W155 HydrophobicContact CD1-CH2 4.31Å; Y98-W155 HydrophobicContact CD1-CZ3 4.44Å; Y98-W155 AromaticContact CD2-CZ3 3.95Å; Y98-W155 HydrophobicContact CD2-CZ3 3.95Å; Y98-W155 HydrophobicContact CE2-CZ3 4.48Å; Y98-W155 HydrophobicContact CG-CH2 4.24Å; Y98-W155 AromaticContact CG-CZ3 3.92Å; Y98-W155 HydrophobicContact CG-CZ3 3.92Å; R113-W155 HydrophobicContact CB-CD2 4.38Å; R113-W155 HydrophobicContact CB-CE3 4.5Å; R113-W155 VanDerWaalsContact CD-CZ2 3.46Å; R113-W155 HydrophobicContact CG-CD2 3.88Å; R113-W155 HydrophobicContact CG-CE3 4.31Å; R113-W155 HydrophobicContact CG-CG 4.17Å; R113-W155 HydrophobicContact CG-CZ2 4.33Å; L125-W155 HydrophobicContact CD2-CB 4.06Å; W132-W155 AromaticContact CH2-CD1 3.89Å; V151-W155 VanDerWaalsContact O-CD1 3.3Å; V151-W155 PolarHBondContact O-N 2.99Å; A152-W155 PolarHBondContact O-N 3.26Å; W155-A157 PolarHBondContact O-N 3.19Å; W155-Y158 HydrophobicContact CE3-CD1 4.22Å; W155-Y158 HydrophobicContact CZ3-CD1 4.2Å; W155-Y158 PolarHBondContact O-N 2.84Å; W155-L159 HydrophobicContact CB-CD1 4.39Å; W155-L159 VanDerWaalsContact O-CB 3.3Å; W155-L159 WeakPolarHBondContact O-CB 3.43Å; W155-L159 WeakPolarHBondContact O-CG 3.45Å; W155-L159 PolarHBondContact O-N 3.25Å
156R98.6Very high98.4Very high79 Ų7959.6 Ų59.630%0.29831%0.314SS..Hα-helixtrans-58.4-46.8175.8-176.3173.6178.7-138.7-16111.8L129 A152 E153 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.07Å; L129-R156 HydrophobicContact CB-CG 3.93Å; L129-R156 HydrophobicContact CD1-CG 4.04Å; A152-R156 VanDerWaalsContact O-CB 3.3Å; A152-R156 WeakPolarHBondContact O-CB 3.3Å; A152-R156 PolarHBondContact O-N 3.22Å; E153-R156 PolarHBondContact O-N 3.48Å; R156-Y158 VanDerWaalsContact C-N 3.32Å; R156-Y158 PolarHBondContact O-N 3.23Å; R156-L159 PolarHBondContact O-N 3.5Å; R156-E160 HydrophobicContact CG-CG 4.16Å; R156-E160 IonicContact CZ-OE1 2.83Å; R156-E160 IonicContact CZ-OE2 3.57Å; R156-E160 IonicContact NE-OE1 3.77Å; R156-E160 PolarHBondContact NE-OE1 3.04Å; R156-E160 IonicContact NE-OE2 3.68Å; R156-E160 PolarHBondContact NE-OE2 3.43Å; R156-E160 IonicContact NH2-OE1 2.84Å; R156-E160 PolarHBondContact NH2-OE1 3.33Å; R156-E160 IonicContact NH2-OE2 3.65Å; R156-E160 PolarHBondContact NH2-OE2 3.48Å; R156-E160 WeakPolarHBondContact O-CB 3.38Å; R156-E160 PolarHBondContact O-N 3.33Å
157A98.6Very high98.4Very high66 Ų6657 Ų5755%0.54530%0.304SS..Hα-helixtrans-59.5-41.9177.300000112.2E153 Q154 W155 G161E153-A157 PolarHBondContact O-N 3.09Å; Q154-A157 PolarHBondContact O-N 3.39Å; W155-A157 PolarHBondContact O-N 3.19Å; A157-G161 PolarHBondContact O-N 3.48Å; A157-G161 VanDerWaalsContact O-N 3.14Å
158Y98.6Very high98.4Very high56 Ų5659.3 Ų59.322%0.2231%0.31CS..Iπ-helixtrans-65.3-47.1174.6172.1-96.6000112.4Y98 Q154 W155 R156 T162 C163Y98-Y158 AromaticContact CD2-CE1 3.82Å; Y98-Y158 HydrophobicContact CD2-CE1 3.82Å; Y98-Y158 AromaticContact CE2-CE1 3.78Å; Y98-Y158 HydrophobicContact CE2-CE1 3.78Å; Y98-Y158 AromaticContact CE2-CZ 3.92Å; Q154-Y158 PolarHBondContact O-N 2.83Å; Q154-Y158 VanDerWaalsContact O-N 3.13Å; W155-Y158 HydrophobicContact CE3-CD1 4.22Å; W155-Y158 HydrophobicContact CZ3-CD1 4.2Å; W155-Y158 PolarHBondContact O-N 2.84Å; R156-Y158 VanDerWaalsContact C-N 3.32Å; R156-Y158 PolarHBondContact O-N 3.23Å; Y158-T162 HydrophobicContact CD2-CG2 4.02Å; Y158-T162 HydrophobicContact CE2-CG2 3.85Å; Y158-T162 PolarHBondContact O-N 3.36Å; Y158-C163 HydrophobicContact CD1-CB 4.26Å; Y158-C163 HydrophobicContact CE1-CB 3.82Å; Y158-C163 WeakPolarHBondContact O-CB 3.5Å; Y158-C163 PolarHBondContact O-N 2.7Å
159L98.8Very high98.3Very high0 Ų060.9 Ų60.90%030%0.298CS..Iπ-helixtrans-70.3-40.6-172.9-70.5170.1000112.6G99 F108 L125 L129 W155 R156 V164G99-L159 WeakPolarHBondContact O-CD2 3.22Å; F108-L159 WeakPolarHBondContact CD2-O 3.49Å; F108-L159 HydrophobicContact CE2-CB 4.35Å; F108-L159 WeakPolarHBondContact CE2-O 3.26Å; L125-L159 HydrophobicContact CD2-CD1 3.94Å; L129-L159 HydrophobicContact CD2-CD1 4Å; W155-L159 HydrophobicContact CB-CD1 4.39Å; W155-L159 VanDerWaalsContact O-CB 3.3Å; W155-L159 WeakPolarHBondContact O-CB 3.43Å; W155-L159 WeakPolarHBondContact O-CG 3.45Å; W155-L159 PolarHBondContact O-N 3.25Å; R156-L159 PolarHBondContact O-N 3.5Å; L159-V164 WeakPolarHBondContact O-CG2 3.38Å
160E98.6Very high98.3Very high77 Ų7758.3 Ų58.336%0.3628%0.277SS..Iπ-helixtrans-79.9-25.8178.3-67.1-179.9172.800112.4F108 L129 R156F108-E160 HydrophobicContact CD1-CG 4.26Å; F108-E160 HydrophobicContact CE1-CG 4.15Å; F108-E160 HydrophobicContact CE2-CG 4.43Å; F108-E160 HydrophobicContact CG-CG 4.46Å; F108-E160 HydrophobicContact CZ-CG 4.24Å; L129-E160 HydrophobicContact CD1-CG 4.08Å; R156-E160 HydrophobicContact CG-CG 4.16Å; R156-E160 IonicContact CZ-OE1 2.83Å; R156-E160 IonicContact CZ-OE2 3.57Å; R156-E160 IonicContact NE-OE1 3.77Å; R156-E160 PolarHBondContact NE-OE1 3.04Å; R156-E160 IonicContact NE-OE2 3.68Å; R156-E160 PolarHBondContact NE-OE2 3.43Å; R156-E160 IonicContact NH2-OE1 2.84Å; R156-E160 PolarHBondContact NH2-OE1 3.33Å; R156-E160 IonicContact NH2-OE2 3.65Å; R156-E160 PolarHBondContact NH2-OE2 3.48Å; R156-E160 WeakPolarHBondContact O-CB 3.38Å; R156-E160 PolarHBondContact O-N 3.33Å
161G98.5Very high98.2Very high21 Ų2153.9 Ų53.922%0.21626%0.256CS..Iπ-helixtrans-106.3-96.5-17800000112.9A157 C163 V164 E165A157-G161 PolarHBondContact O-N 3.48Å; A157-G161 VanDerWaalsContact O-N 3.14Å; G161-C163 VanDerWaalsContact C-N 3.26Å; G161-C163 PolarHBondContact O-N 3.43Å; G161-C163 VanDerWaalsContact O-N 3.1Å; G161-V164 PolarHBondContact O-N 3.34Å; G161-E165 PolarHBondContact O-N 2.95Å
162T98.3Very high98.1Very high60 Ų6058.8 Ų58.837%0.36828%0.278SS..Iπ-helixtrans-48.3-43-172.1-54.60000113.5Y158 V164 E165 W166Y158-T162 HydrophobicContact CD2-CG2 4.02Å; Y158-T162 HydrophobicContact CE2-CG2 3.85Å; Y158-T162 PolarHBondContact O-N 3.36Å; T162-V164 PolarHBondContact O-N 3.18Å; T162-E165 PolarHBondContact O-N 3.15Å; T162-W166 PolarHBondContact O-N 3.31Å
163C98.6Very high97.9Very high0 Ų060.2 Ų60.20%029%0.285CS..Hα-helixtrans-60.5-47.8179.4-173.50000111.8M4 C100 Y158 G161 W166 L167M4-C163 HydrophobicContact CE-CB 4.16Å; M4-C163 WeakPolarHBondContact CE-O 3.44Å; M4-C163 WeakPolarHBondContact CE-SG 3.5Å; C100-C163 HydrophobicContact CB-CB 3.91Å; C100-C163 WeakPolarHBondContact CB-SG 3.21Å; C100-C163 PolarHBondContact N-SG 2.88Å; C100-C163 WeakPolarHBondContact SG-CB 3.11Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.29Å; Y158-C163 HydrophobicContact CD1-CB 4.26Å; Y158-C163 HydrophobicContact CE1-CB 3.82Å; Y158-C163 WeakPolarHBondContact O-CB 3.5Å; Y158-C163 PolarHBondContact O-N 2.7Å; G161-C163 VanDerWaalsContact C-N 3.26Å; G161-C163 PolarHBondContact O-N 3.43Å; G161-C163 VanDerWaalsContact O-N 3.1Å; C163-W166 PolarHBondContact O-N 2.97Å; C163-L167 WeakPolarHBondContact O-CB 3.42Å; C163-L167 PolarHBondContact O-N 2.71Å
164V98.7Very high97.7Very high8 Ų854.4 Ų54.45%0.04826%0.258CS..Hα-helixtrans-66.3-42179.7174.40000111.1V102 F108 L159 G161 T162 L167 R168V102-V164 HydrophobicContact CG1-CB 4.44Å; V102-V164 HydrophobicContact CG1-CG1 3.96Å; V102-V164 HydrophobicContact CG1-CG2 4.06Å; F108-V164 HydrophobicContact CB-CG2 4.05Å; F108-V164 HydrophobicContact CD2-CG2 3.74Å; F108-V164 HydrophobicContact CG-CG2 4.39Å; L159-V164 WeakPolarHBondContact O-CG2 3.38Å; G161-V164 PolarHBondContact O-N 3.34Å; T162-V164 PolarHBondContact O-N 3.18Å; V164-L167 PolarHBondContact O-N 3.48Å; V164-R168 WeakPolarHBondContact O-CG 2.84Å; V164-R168 PolarHBondContact O-N 3.13Å
165E98.4Very high97.5Very high125 Ų12553.2 Ų53.258%0.58425%0.251SS*.Hα-helixtrans-60-48177.9-69.9175178.800111.9G161 T162 R168 R169G161-E165 PolarHBondContact O-N 2.95Å; T162-E165 PolarHBondContact O-N 3.15Å; E165-R168 PolarHBondContact O-N 2.94Å; E165-R169 PolarHBondContact O-N 3.21Å; E165-R169 VanDerWaalsContact O-N 3.09Å
166W98.3Very high97Very high51 Ų5159.5 Ų59.519%0.19328%0.283CS..Hα-helixtrans-69.1-39.8178.8-81.699.8000112.5M4 Y58 T162 C163 R168 R169 Y170M4-W166 HydrophobicContact CE-CB 4.18Å; Y58-W166 AromaticContact CD2-CH2 3.55Å; Y58-W166 HydrophobicContact CD2-CH2 3.55Å; Y58-W166 HydrophobicContact CD2-CZ2 4.25Å; Y58-W166 AromaticContact CD2-CZ3 3.76Å; Y58-W166 HydrophobicContact CD2-CZ3 3.76Å; Y58-W166 HydrophobicContact CE2-CE3 4.19Å; Y58-W166 AromaticContact CE2-CH2 3.92Å; Y58-W166 HydrophobicContact CE2-CH2 3.92Å; Y58-W166 AromaticContact CE2-CZ3 3.72Å; Y58-W166 HydrophobicContact CE2-CZ3 3.72Å; T162-W166 PolarHBondContact O-N 3.31Å; C163-W166 PolarHBondContact O-N 2.97Å; W166-R168 VanDerWaalsContact C-N 3.32Å; W166-R168 PolarHBondContact O-N 3.18Å; W166-R169 PolarHBondContact O-N 3.32Å; W166-Y170 HydrophobicContact CB-CE2 4.03Å; W166-Y170 HydrophobicContact CE3-CD1 4.34Å; W166-Y170 AromaticContact CE3-CE1 3.41Å; W166-Y170 HydrophobicContact CE3-CE1 3.41Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.41Å; W166-Y170 HydrophobicContact CE3-CE2 4.3Å; W166-Y170 AromaticContact CE3-CZ 3.38Å; W166-Y170 AromaticContact CZ3-CE1 3.81Å; W166-Y170 HydrophobicContact CZ3-CE1 3.81Å; W166-Y170 VanDerWaalsContact O-CD2 3.28Å; W166-Y170 WeakPolarHBondContact O-CD2 3.5Å; W166-Y170 PolarHBondContact O-N 3.49Å
167L98.5Very high96.5Very high0 Ų060 Ų600%030%0.295CS..Hα-helixtrans-58.9-45175175.252.6000111.1H2 M4 V27 V102 C163 V164 R169 Y170 L171H2-L167 HydrophobicContact CB-CD1 4.35Å; H2-L167 HydrophobicContact CB-CD2 4.49Å; M4-L167 HydrophobicContact CB-CB 4.11Å; M4-L167 HydrophobicContact CB-CD1 4.05Å; M4-L167 HydrophobicContact CB-CD2 4.15Å; M4-L167 HydrophobicContact CB-CG 4.32Å; M4-L167 HydrophobicContact CE-CB 4.41Å; V27-L167 HydrophobicContact CG1-CD1 3.7Å; V27-L167 HydrophobicContact CG2-CD1 4.33Å; V102-L167 HydrophobicContact CB-CD2 4.4Å; V102-L167 HydrophobicContact CG1-CD2 3.96Å; V102-L167 HydrophobicContact CG2-CD2 3.67Å; V102-L167 HydrophobicContact CG2-CG 4.29Å; C163-L167 WeakPolarHBondContact O-CB 3.42Å; C163-L167 PolarHBondContact O-N 2.71Å; V164-L167 PolarHBondContact O-N 3.48Å; L167-R169 PolarHBondContact O-N 3.36Å; L167-Y170 PolarHBondContact O-N 3.24Å; L167-L171 HydrophobicContact CD1-CD1 3.87Å; L167-L171 HydrophobicContact CD1-CD2 4.47Å; L167-L171 HydrophobicContact CD1-CG 3.92Å; L167-L171 HydrophobicContact CG-CD1 3.99Å; L167-L171 HydrophobicContact CG-CG 4.5Å; L167-L171 WeakPolarHBondContact O-CB 3.49Å; L167-L171 VanDerWaalsContact O-CG 3.24Å; L167-L171 WeakPolarHBondContact O-CG 3.49Å; L167-L171 PolarHBondContact O-N 3.02Å
168R97.6Very high95.9Very high124 Ų12457.8 Ų57.847%0.46827%0.273SS..Hα-helixtrans-60.4-43.3175.4-72.2174.3-179.1-179.30.4112.3G106 V164 E165 W166 L171 E172G106-R168 PolarHBondContact O-NE 2.82Å; G106-R168 PolarHBondContact O-NH2 3.14Å; V164-R168 WeakPolarHBondContact O-CG 2.84Å; V164-R168 PolarHBondContact O-N 3.13Å; E165-R168 PolarHBondContact O-N 2.94Å; W166-R168 VanDerWaalsContact C-N 3.32Å; W166-R168 PolarHBondContact O-N 3.18Å; R168-L171 PolarHBondContact O-N 2.8Å; R168-E172 PolarHBondContact O-N 3.18Å; R168-E172 VanDerWaalsContact O-N 3.09Å
169R97.3Very high95.2Very high114 Ų11458.9 Ų58.943%0.4328%0.28SS..Hα-helixtrans-60.9-45.2176.2178.7175.1172.295.2-4.3111.6E54 E165 W166 L167 E172 N173E54-R169 IonicContact OE1-CZ 3.69Å; E54-R169 IonicContact OE1-NE 3.68Å; E54-R169 PolarHBondContact OE1-NE 2.93Å; E54-R169 IonicContact OE1-NH2 2.74Å; E54-R169 PolarHBondContact OE1-NH2 3.46Å; E54-R169 IonicContact OE2-CZ 3.76Å; E54-R169 IonicContact OE2-NE 3.46Å; E54-R169 PolarHBondContact OE2-NE 3.09Å; E54-R169 IonicContact OE2-NH2 3.97Å; E54-R169 PolarHBondContact OE2-NH2 3.06Å; E165-R169 PolarHBondContact O-N 3.21Å; E165-R169 VanDerWaalsContact O-N 3.09Å; W166-R169 PolarHBondContact O-N 3.32Å; L167-R169 PolarHBondContact O-N 3.36Å; R169-E172 PolarHBondContact O-N 3Å; R169-N173 WeakPolarHBondContact O-CB 3.23Å; R169-N173 PolarHBondContact O-N 3.38Å; R169-N173 PolarHBondContact O-OD1 3.17Å
170Y97.4Very high94.1Very high2 Ų269.1 Ų69.11%0.00832%0.319CS..Hα-helixtrans-66.6-37.3179.1-61.5-28.2000112.9M4 V27 F32 W50 I51 Y58 W166 L167 E172 N173 G174M4-Y170 HydrophobicContact SD-CD2 3.78Å; M4-Y170 HydrophobicContact SD-CE2 3.6Å; M4-Y170 VanDerWaalsContact SD-CE2 3.6Å; V27-Y170 HydrophobicContact CG2-CD2 3.84Å; V27-Y170 HydrophobicContact CG2-CG 4.34Å; F32-Y170 HydrophobicContact CD2-CE2 4.5Å; F32-Y170 HydrophobicContact CE2-CD2 4.2Å; F32-Y170 AromaticContact CE2-CE2 3.63Å; F32-Y170 HydrophobicContact CE2-CE2 3.63Å; F32-Y170 AromaticContact CE2-CZ 3.9Å; F32-Y170 HydrophobicContact CZ-CD2 4.22Å; F32-Y170 AromaticContact CZ-CE2 3.72Å; F32-Y170 HydrophobicContact CZ-CE2 3.72Å; W50-Y170 HydrophobicContact CE3-CD1 4.46Å; W50-Y170 HydrophobicContact CH2-CG 4.16Å; W50-Y170 AromaticContact CZ3-CD1 3.72Å; W50-Y170 HydrophobicContact CZ3-CD1 3.72Å; W50-Y170 HydrophobicContact CZ3-CD2 4.4Å; W50-Y170 AromaticContact CZ3-CG 3.66Å; W50-Y170 HydrophobicContact CZ3-CG 3.66Å; I51-Y170 HydrophobicContact CD1-CD1 3.8Å; I51-Y170 HydrophobicContact CD1-CE1 3.31Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.5Å; Y58-Y170 VanDerWaalsContact CZ-OH 3.27Å; Y58-Y170 PolarHBondContact OH-OH 3.19Å; W166-Y170 HydrophobicContact CB-CE2 4.03Å; W166-Y170 HydrophobicContact CE3-CD1 4.34Å; W166-Y170 AromaticContact CE3-CE1 3.41Å; W166-Y170 HydrophobicContact CE3-CE1 3.41Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.41Å; W166-Y170 HydrophobicContact CE3-CE2 4.3Å; W166-Y170 AromaticContact CE3-CZ 3.38Å; W166-Y170 AromaticContact CZ3-CE1 3.81Å; W166-Y170 HydrophobicContact CZ3-CE1 3.81Å; W166-Y170 VanDerWaalsContact O-CD2 3.28Å; W166-Y170 WeakPolarHBondContact O-CD2 3.5Å; W166-Y170 PolarHBondContact O-N 3.49Å; L167-Y170 PolarHBondContact O-N 3.24Å; Y170-E172 VanDerWaalsContact C-N 3.3Å; Y170-E172 PolarHBondContact O-N 3.11Å; Y170-N173 PolarHBondContact O-N 3.1Å; Y170-G174 PolarHBondContact O-N 3.03Å
171L96.9Very high91.9Very high13 Ų1375.4 Ų75.47%0.06836%0.363CS..Hα-helixtrans-64.5-34.4174.4-72168.9000112.7H2 V27 L167 R168 K175 L178 Q179H2-L171 HydrophobicContact CB-CD1 3.64Å; H2-L171 HydrophobicContact CB-CD2 3.99Å; H2-L171 HydrophobicContact CB-CG 4.38Å; H2-L171 VanDerWaalsContact CG-CD2 3.49Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.46Å; V27-L171 HydrophobicContact CG1-CD2 4.06Å; L167-L171 HydrophobicContact CD1-CD1 3.87Å; L167-L171 HydrophobicContact CD1-CD2 4.47Å; L167-L171 HydrophobicContact CD1-CG 3.92Å; L167-L171 HydrophobicContact CG-CD1 3.99Å; L167-L171 HydrophobicContact CG-CG 4.5Å; L167-L171 WeakPolarHBondContact O-CB 3.49Å; L167-L171 VanDerWaalsContact O-CG 3.24Å; L167-L171 WeakPolarHBondContact O-CG 3.49Å; L167-L171 PolarHBondContact O-N 3.02Å; R168-L171 PolarHBondContact O-N 2.8Å; L171-K175 VanDerWaalsContact O-CA 3.27Å; L171-K175 WeakPolarHBondContact O-CA 3.44Å; L171-K175 PolarHBondContact O-N 3.37Å; L171-K175 VanDerWaalsContact O-N 3.15Å; L171-L178 HydrophobicContact CD2-CB 4.35Å; L171-L178 HydrophobicContact CD2-CD1 4.34Å; L171-Q179 PolarHBondContact O-NE2 3.07Å
172E95.8Very high91.6Very high123 Ų12378.1 Ų78.158%0.57537%0.37SS*.Hα-helixtrans-72.8-47.1174-171.359.8-153.400111.1R168 R169 Y170 G174 K175R168-E172 PolarHBondContact O-N 3.18Å; R168-E172 VanDerWaalsContact O-N 3.09Å; R169-E172 PolarHBondContact O-N 3Å; Y170-E172 VanDerWaalsContact C-N 3.3Å; Y170-E172 PolarHBondContact O-N 3.11Å; E172-G174 VanDerWaalsContact C-N 3.3Å; E172-G174 PolarHBondContact O-N 3.16Å; E172-K175 WeakPolarHBondContact O-CB 3.49Å; E172-K175 PolarHBondContact O-N 3.15Å
173N94.9Very high91.2Very high38 Ų3879.1 Ų79.120%0.20337%0.37CS..Hα-helixtrans-59.9-40.6178.3-63.8-5.8000112.2W50 Q53 E54 R169 Y170W50-N173 HydrophobicContact CB-CB 4.36Å; W50-N173 WeakPolarHBondContact CB-O 3.37Å; W50-N173 HydrophobicContact CE3-CB 4.49Å; Q53-N173 PolarHBondContact NE2-ND2 3.44Å; Q53-N173 VanDerWaalsContact NE2-ND2 3.14Å; Q53-N173 PolarHBondContact NE2-OD1 2.87Å; E54-N173 PolarHBondContact OE1-ND2 3.5Å; R169-N173 WeakPolarHBondContact O-CB 3.23Å; R169-N173 PolarHBondContact O-N 3.38Å; R169-N173 PolarHBondContact O-OD1 3.17Å; Y170-N173 PolarHBondContact O-N 3.1Å
174G94.2Very high90.8Very high3 Ų383.4 Ų83.43%0.03139%0.391CS..THydrogen-bonded Turntrans-100.819.6-176.900000114Y170 E172 E176 T177 L178Y170-G174 PolarHBondContact O-N 3.03Å; E172-G174 VanDerWaalsContact C-N 3.3Å; E172-G174 PolarHBondContact O-N 3.16Å; G174-E176 VanDerWaalsContact C-N 3.25Å; G174-E176 PolarHBondContact O-N 3.31Å; G174-E176 VanDerWaalsContact O-N 3.14Å; G174-T177 PolarHBondContact O-N 2.91Å; G174-T177 PolarHBondContact O-OG1 3.37Å; G174-T177 VanDerWaalsContact O-OG1 3.11Å; G174-L178 WeakPolarHBondContact O-CB 3.49Å; G174-L178 WeakPolarHBondContact O-CG 3.38Å; G174-L178 PolarHBondContact O-N 3.47Å
175K92.2Very high90.4Very high108 Ų10887.9 Ų87.947%0.4741%0.411SS..Hα-helixtrans-52.5-40.9-171-174.7175.6-175.4173.50113.9L171 E172 T177 Q179L171-K175 VanDerWaalsContact O-CA 3.27Å; L171-K175 WeakPolarHBondContact O-CA 3.44Å; L171-K175 PolarHBondContact O-N 3.37Å; L171-K175 VanDerWaalsContact O-N 3.15Å; E172-K175 WeakPolarHBondContact O-CB 3.49Å; E172-K175 PolarHBondContact O-N 3.15Å; K175-T177 VanDerWaalsContact C-N 3.27Å; K175-T177 PolarHBondContact O-N 2.84Å; K175-Q179 WeakPolarHBondContact O-CB 3.34Å; K175-Q179 PolarHBondContact O-N 3.02Å
176E88.2Confident89.9Confident182 Ų18285.6 Ų85.685%0.8540%0.4SS*.Hα-helixtrans-66.3-26.9-178.8-62.5-174.7168.600113.5G174G174-E176 VanDerWaalsContact C-N 3.25Å; G174-E176 PolarHBondContact O-N 3.31Å; G174-E176 VanDerWaalsContact O-N 3.14Å
177T87.4Confident89.3Confident90 Ų9087.9 Ų87.955%0.55241%0.414SS*.Hα-helixtrans-104.6-40.7-177.6560000112.9G174 K175G174-T177 PolarHBondContact O-N 2.91Å; G174-T177 PolarHBondContact O-OG1 3.37Å; G174-T177 VanDerWaalsContact O-OG1 3.11Å; K175-T177 VanDerWaalsContact C-N 3.27Å; K175-T177 PolarHBondContact O-N 2.84Å
178L86.8Confident88.7Confident18 Ų1894.1 Ų94.19%0.09444%0.444CS..Hα-helixtrans-83.8-24.4-173.6-62.7173.9000113.5V27 T30 W50 L171 G174V27-L178 HydrophobicContact CB-CD1 4.4Å; V27-L178 HydrophobicContact CG1-CD1 3.86Å; V27-L178 HydrophobicContact CG1-CD2 4.35Å; T30-L178 HydrophobicContact CG2-CD2 4.18Å; W50-L178 HydrophobicContact CZ2-CD1 3.93Å; W50-L178 HydrophobicContact CZ2-CD2 4.38Å; L171-L178 HydrophobicContact CD2-CB 4.35Å; L171-L178 HydrophobicContact CD2-CD1 4.34Å; G174-L178 WeakPolarHBondContact O-CB 3.49Å; G174-L178 WeakPolarHBondContact O-CG 3.38Å; G174-L178 PolarHBondContact O-N 3.47Å
179Q83.4Confident88Confident79 Ų7991.8 Ų91.837%0.36944%0.442SS..THydrogen-bonded Turntrans-112.119.6-177.1-56.8-17924.300112.7L171 K175 T181L171-Q179 PolarHBondContact O-NE2 3.07Å; K175-Q179 WeakPolarHBondContact O-CB 3.34Å; K175-Q179 PolarHBondContact O-N 3.02Å; Q179-T181 PolarHBondContact O-N 3.47Å
180R76.3Confident87.2Confident216 Ų21690 Ų9082%0.81544%0.443SS*.  trans-69.7116.7175.8-156.4173.775.2179.13108.8
181T52.9Low86.3Confident208 Ų20898 Ų98100%1.27648%0.482SS*.  trans-760176.118.50000111.7Q179Q179-T181 PolarHBondContact O-N 3.47Å

Retrieved 181 of 181 residues in 174 ms (Link to these results)

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