A0A087YMS7_POEFO Loading...

Tetratricopeptide repeat domain 32

AlphaFold DB , UniProt , Accession A0A087YMS7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 147 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
1M41.9Very low49.2Very low244 Ų244138.4 Ų138.4100%1.20273%0.73SS**  085.40-67.7173175.600107.2S3M1-S3 PolarHBondContact O-N 2.99Å
2T36.5Very low50.2Low129 Ų129134.3 Ų134.379%0.79171%0.706SS**  trans-85.6102.417944.60000108.2H4T2-H4 PolarHBondContact O-N 3.42Å
3S44.7Very low51.4Low112 Ų112130.2 Ų130.278%0.78368%0.681SS**  trans-57.5104168.148.90000109.2M1M1-S3 PolarHBondContact O-N 2.99Å
4H45.1Very low52.7Low167 Ų167128.6 Ų128.677%0.77367%0.674SS**  trans-66.6125.5162.2-94.945.4000107.8T2 Q6T2-H4 PolarHBondContact O-N 3.42Å; H4-Q6 PolarHBondContact O-N 3.41Å; H4-Q6 VanDerWaalsContact O-N 3.08Å
5P47.2Very low54.6Low116 Ų116127.1 Ų127.175%0.75366%0.662SS**  trans-70.1107.9170.428.2-28000107.1Q7P5-Q7 PolarHBondContact O-N 3.29Å
6Q50.3Low56.4Low190 Ų190120.1 Ų120.189%0.88863%0.625SS**  trans-62.4104.2159.5-77.5-179.8-29.100106H4H4-Q6 PolarHBondContact O-N 3.41Å; H4-Q6 VanDerWaalsContact O-N 3.08Å
7Q51.2Low58.2Low145 Ų145116.1 Ų116.168%0.67861%0.609SS**  trans-55.6133165.8-75.4-167-3700107.6P5 F9P5-Q7 PolarHBondContact O-N 3.29Å; Q7-F9 PolarHBondContact O-N 3.22Å; Q7-F9 VanDerWaalsContact O-N 3.15Å
8P52.3Low60Low83 Ų83114.8 Ų114.854%0.53960%0.6SS.*  trans-65122.2-17324.2-30.2000109T10 F11P8-T10 PolarHBondContact O-N 3.01Å; P8-F11 HydrophobicContact CG-CB 4.37Å; P8-F11 WeakPolarHBondContact O-CB 3.24Å; P8-F11 PolarHBondContact O-N 3.28Å
9F54.7Low61.7Low134 Ų134110.2 Ų110.259%0.58858%0.576SS**Hα-helixtrans-42.1-31.9178.3177.9-98.4000114.1Q7 E13 N51Q7-F9 PolarHBondContact O-N 3.22Å; Q7-F9 VanDerWaalsContact O-N 3.15Å; F9-E13 WeakPolarHBondContact CE1-OE1 3.4Å; F9-E13 WeakPolarHBondContact CZ-OE1 3.36Å; F9-N51 WeakPolarHBondContact CE2-ND2 3.25Å; F9-N51 WeakPolarHBondContact CZ-ND2 3.3Å
10T57.6Low63.4Low85 Ų85105.3 Ų105.352%0.52155%0.55SS..Hα-helixtrans-66.8-34.417958.10000113.9P8 M12 D14P8-T10 PolarHBondContact O-N 3.01Å; T10-M12 VanDerWaalsContact C-N 3.34Å; T10-M12 PolarHBondContact O-N 3.35Å; T10-D14 VanDerWaalsContact O-CG 3.27Å; T10-D14 PolarHBondContact O-N 2.89Å; T10-D14 VanDerWaalsContact O-OD2 3.12Å
11F60.2Low64.9Low117 Ų117105.9 Ų105.951%0.51355%0.55SS.*Hα-helixtrans-69.2-33.8-173.9-170.8-96000112.3P8 E15P8-F11 HydrophobicContact CG-CB 4.37Å; P8-F11 WeakPolarHBondContact O-CB 3.24Å; P8-F11 PolarHBondContact O-N 3.28Å; F11-E15 HydrophobicContact CD1-CG 4.47Å; F11-E15 HydrophobicContact CE1-CG 4.26Å; F11-E15 WeakPolarHBondContact CE1-OE1 3.48Å; F11-E15 WeakPolarHBondContact O-CG 3.49Å; F11-E15 PolarHBondContact O-N 3.4Å
12M60.8Low67.5Low90 Ų9097.6 Ų97.644%0.44351%0.511SS..Hα-helixtrans-78.4-33.8-178.2-160.4171.9-80.800111.9T10 D14 E15 D16T10-M12 VanDerWaalsContact C-N 3.34Å; T10-M12 PolarHBondContact O-N 3.35Å; M12-D14 VanDerWaalsContact C-N 3.33Å; M12-E15 PolarHBondContact O-N 3.02Å; M12-D16 PolarHBondContact O-N 3.49Å; M12-D16 VanDerWaalsContact O-N 3.13Å
13E65.5Low70.5Confident81 Ų8191.5 Ų91.538%0.37947%0.473SS..Hα-helixtrans-65.4-37.4172.2-68-176.3157.400112F9 S17 N51F9-E13 WeakPolarHBondContact CE1-OE1 3.4Å; F9-E13 WeakPolarHBondContact CZ-OE1 3.36Å; E13-S17 VanDerWaalsContact O-CB 3.29Å; E13-S17 WeakPolarHBondContact O-CB 3.4Å; E13-S17 PolarHBondContact O-N 2.9Å; E13-S17 VanDerWaalsContact O-N 3.1Å; E13-N51 PolarHBondContact OE1-ND2 3.29Å
14D70.5Confident73Confident108 Ų10889 Ų8958%0.57845%0.449SS*.Hα-helixtrans-66.1-39.1175.7-70-33.2000111.8T10 M12 Q18T10-D14 VanDerWaalsContact O-CG 3.27Å; T10-D14 PolarHBondContact O-N 2.89Å; T10-D14 VanDerWaalsContact O-OD2 3.12Å; M12-D14 VanDerWaalsContact C-N 3.33Å; D14-Q18 WeakPolarHBondContact O-CB 3.4Å; D14-Q18 PolarHBondContact O-N 3.5Å
15E80.5Confident75.5Confident106 Ų10683.4 Ų83.450%0.49543%0.429SS..Hα-helixtrans-66.8-46.5177.7-76.4-173.1159.400112.7F11 M12 S17 Q18 L19F11-E15 HydrophobicContact CD1-CG 4.47Å; F11-E15 HydrophobicContact CE1-CG 4.26Å; F11-E15 WeakPolarHBondContact CE1-OE1 3.48Å; F11-E15 WeakPolarHBondContact O-CG 3.49Å; F11-E15 PolarHBondContact O-N 3.4Å; M12-E15 PolarHBondContact O-N 3.02Å; E15-S17 VanDerWaalsContact C-N 3.34Å; E15-S17 PolarHBondContact O-N 3.41Å; E15-Q18 PolarHBondContact O-N 3.3Å; E15-L19 VanDerWaalsContact O-CB 3.3Å; E15-L19 WeakPolarHBondContact O-CB 3.23Å; E15-L19 PolarHBondContact O-N 3.26Å
16D84.3Confident78Confident15 Ų1579.6 Ų79.68%0.0840%0.401CS..Hα-helixtrans-64-40.8178.6-79.2-19.8000111.3M12 L19 L20 F42 S45M12-D16 PolarHBondContact O-N 3.49Å; M12-D16 VanDerWaalsContact O-N 3.13Å; D16-L19 PolarHBondContact O-N 3.49Å; D16-L20 PolarHBondContact O-N 2.87Å; D16-F42 HydrophobicContact CB-CD2 4.29Å; D16-F42 HydrophobicContact CB-CE2 3.98Å; D16-F42 VanDerWaalsContact O-CD2 3.31Å; D16-F42 WeakPolarHBondContact O-CD2 3.43Å; D16-F42 WeakPolarHBondContact O-CE2 3.42Å; D16-S45 VanDerWaalsContact OD1-CB 3.23Å; D16-S45 WeakPolarHBondContact OD1-CB 3.39Å; D16-S45 PolarHBondContact OD1-OG 2.94Å; D16-S45 PolarHBondContact OD2-OG 3.49Å
17S85.9Confident80.2Confident51 Ų5172.4 Ų72.436%0.35737%0.367SS..Hα-helixtrans-62.5-45.2175.4-172.40000112.1E13 E15 L19 L20 Q21E13-S17 VanDerWaalsContact O-CB 3.29Å; E13-S17 WeakPolarHBondContact O-CB 3.4Å; E13-S17 PolarHBondContact O-N 2.9Å; E13-S17 VanDerWaalsContact O-N 3.1Å; E15-S17 VanDerWaalsContact C-N 3.34Å; E15-S17 PolarHBondContact O-N 3.41Å; S17-L19 VanDerWaalsContact C-N 3.32Å; S17-L19 PolarHBondContact O-N 2.95Å; S17-L20 PolarHBondContact O-N 3.27Å; S17-Q21 PolarHBondContact O-N 2.9Å
18Q90.9Very high82.4Confident94 Ų9470.1 Ų70.144%0.43937%0.367SS..Hα-helixtrans-64-39.4177.1-174.661.168.500111.8D14 E15 Q21 N22D14-Q18 WeakPolarHBondContact O-CB 3.4Å; D14-Q18 PolarHBondContact O-N 3.5Å; E15-Q18 PolarHBondContact O-N 3.3Å; Q18-Q21 PolarHBondContact O-N 2.87Å; Q18-N22 PolarHBondContact NE2-OD1 2.95Å; Q18-N22 WeakPolarHBondContact O-CB 3.15Å; Q18-N22 PolarHBondContact O-N 2.66Å; Q18-N22 PolarHBondContact O-ND2 3.37Å; Q18-N22 PolarHBondContact O-OD1 2.66Å
19L92.8Very high84.6Confident26 Ų2672.4 Ų72.414%0.13637%0.369CS..Hα-helixtrans-66.8-40.6-179.6-168.2135.9000111.3E15 D16 S17 N22 A23 L38 R41 F42E15-L19 VanDerWaalsContact O-CB 3.3Å; E15-L19 WeakPolarHBondContact O-CB 3.23Å; E15-L19 PolarHBondContact O-N 3.26Å; D16-L19 PolarHBondContact O-N 3.49Å; S17-L19 VanDerWaalsContact C-N 3.32Å; S17-L19 PolarHBondContact O-N 2.95Å; L19-N22 PolarHBondContact O-N 2.95Å; L19-A23 PolarHBondContact O-N 3.29Å; L19-L38 WeakPolarHBondContact CD2-O 3.35Å; L19-L38 HydrophobicContact CG-CD2 4.35Å; L19-R41 HydrophobicContact CD1-CB 4.11Å; L19-R41 HydrophobicContact CD2-CB 4.04Å; L19-F42 VanDerWaalsContact CD2-CA 3.41Å; L19-F42 HydrophobicContact CD2-CB 3.4Å; L19-F42 HydrophobicContact CD2-CD2 4.34Å; L19-F42 HydrophobicContact CD2-CG 4.37Å
20L94.4Very high86.6Confident12 Ų1275.5 Ų75.56%0.06338%0.376CS..Hα-helixtrans-64.9-43.2173.2-175.160.2000112.2D16 S17 N22 A23 H24 Y39 F42 K56 A60D16-L20 PolarHBondContact O-N 2.87Å; S17-L20 PolarHBondContact O-N 3.27Å; L20-N22 VanDerWaalsContact C-N 3.33Å; L20-N22 PolarHBondContact O-N 3.07Å; L20-A23 WeakPolarHBondContact O-CB 3.43Å; L20-A23 PolarHBondContact O-N 2.86Å; L20-H24 WeakPolarHBondContact CD1-NE2 3.43Å; L20-H24 WeakPolarHBondContact CG-NE2 3.49Å; L20-H24 PolarHBondContact O-CD2 3.46Å; L20-H24 PolarHBondContact O-N 3.16Å; L20-Y39 HydrophobicContact CD1-CD1 4.04Å; L20-Y39 HydrophobicContact CD1-CE1 3.75Å; L20-F42 HydrophobicContact CB-CD2 3.86Å; L20-F42 HydrophobicContact CB-CE2 3.87Å; L20-F42 HydrophobicContact CB-CG 4.4Å; L20-F42 HydrophobicContact CB-CZ 4.42Å; L20-F42 HydrophobicContact CD1-CD1 4.28Å; L20-F42 HydrophobicContact CD1-CE1 4.4Å; L20-F42 HydrophobicContact CD1-CG 4.39Å; L20-F42 HydrophobicContact CD2-CE1 4.31Å; L20-F42 HydrophobicContact CD2-CE2 4.18Å; L20-F42 HydrophobicContact CD2-CZ 3.93Å; L20-F42 HydrophobicContact CG-CE2 4.48Å; L20-K56 HydrophobicContact CD2-CB 3.85Å; L20-K56 HydrophobicContact CD2-CD 4.26Å; L20-K56 HydrophobicContact CD2-CG 4Å; L20-A60 HydrophobicContact CD1-CB 4.12Å
21Q95.9Very high88.5Confident118 Ų11874.7 Ų74.755%0.55137%0.369SS*.Hα-helixtrans-58.1-44.2174.1-91.3-173.6-600112.5S17 Q18 A23 H24 S25S17-Q21 PolarHBondContact O-N 2.9Å; Q18-Q21 PolarHBondContact O-N 2.87Å; Q21-A23 VanDerWaalsContact C-N 3.31Å; Q21-A23 PolarHBondContact O-N 3.39Å; Q21-H24 PolarHBondContact O-N 2.99Å; Q21-S25 PolarHBondContact O-N 3.3Å
22N97.3Very high90.2Very high71 Ų7171.9 Ų71.938%0.3836%0.357SS..Hα-helixtrans-63-41.1177.4-68.5-15.5000110.8Q18 L19 L20 H24 S25 E26 L38Q18-N22 PolarHBondContact NE2-OD1 2.95Å; Q18-N22 WeakPolarHBondContact O-CB 3.15Å; Q18-N22 PolarHBondContact O-N 2.66Å; Q18-N22 PolarHBondContact O-ND2 3.37Å; Q18-N22 PolarHBondContact O-OD1 2.66Å; L19-N22 PolarHBondContact O-N 2.95Å; L20-N22 VanDerWaalsContact C-N 3.33Å; L20-N22 PolarHBondContact O-N 3.07Å; N22-H24 PolarHBondContact O-N 2.95Å; N22-S25 WeakPolarHBondContact O-CB 3.46Å; N22-S25 PolarHBondContact O-N 3.04Å; N22-E26 WeakPolarHBondContact O-CG 3.32Å; N22-E26 PolarHBondContact O-N 3.13Å; N22-L38 HydrophobicContact CB-CD1 3.99Å
23A97.8Very high92Very high0 Ų072.9 Ų72.90%036%0.364CS..Hα-helixtrans-58.6-46.6175.700000111.5L19 L20 Q21 S25 E26 F27 L38 Y39L19-A23 PolarHBondContact O-N 3.29Å; L20-A23 WeakPolarHBondContact O-CB 3.43Å; L20-A23 PolarHBondContact O-N 2.86Å; Q21-A23 VanDerWaalsContact C-N 3.31Å; Q21-A23 PolarHBondContact O-N 3.39Å; A23-S25 VanDerWaalsContact C-N 3.34Å; A23-S25 PolarHBondContact O-N 2.79Å; A23-E26 PolarHBondContact O-N 2.73Å; A23-F27 WeakPolarHBondContact O-CB 3.28Å; A23-F27 PolarHBondContact O-N 2.95Å; A23-L38 HydrophobicContact CB-CB 3.59Å; A23-L38 HydrophobicContact CB-CD1 4.5Å; A23-Y39 HydrophobicContact CB-CD1 3.59Å; A23-Y39 HydrophobicContact CB-CD2 4.22Å; A23-Y39 HydrophobicContact CB-CE1 3.42Å; A23-Y39 VanDerWaalsContact CB-CE1 3.42Å; A23-Y39 HydrophobicContact CB-CE2 4.07Å; A23-Y39 HydrophobicContact CB-CG 3.98Å
24H97.6Very high93.5Very high59 Ų5972.6 Ų72.627%0.27336%0.361SS..Hα-helixtrans-62.6-38.7175.7-67.2-54.3000113.2L20 Q21 N22 F27 S28 Y39 N63L20-H24 WeakPolarHBondContact CD1-NE2 3.43Å; L20-H24 WeakPolarHBondContact CG-NE2 3.49Å; L20-H24 PolarHBondContact O-CD2 3.46Å; L20-H24 PolarHBondContact O-N 3.16Å; Q21-H24 PolarHBondContact O-N 2.99Å; N22-H24 PolarHBondContact O-N 2.95Å; H24-F27 PolarHBondContact O-N 3.14Å; H24-S28 WeakPolarHBondContact O-CB 3.49Å; H24-S28 PolarHBondContact O-N 3.41Å; H24-S28 PolarHBondContact O-OG 2.96Å; H24-Y39 PolarHBondContact CE1-OH 3.4Å; H24-Y39 AromaticContact ND1-CZ 3.94Å; H24-Y39 PolarHBondContact ND1-OH 3.05Å; H24-N63 PolarHBondContact CE1-ND2 3.33Å; H24-N63 VanDerWaalsContact CE1-ND2 3.32Å; H24-N63 PolarHBondContact ND1-ND2 2.97Å
25S98.3Very high94.9Very high51 Ų5167.4 Ų67.436%0.35733%0.334SS..Hα-helixtrans-61.9-49.3176.6-168.40000111.1Q21 N22 A23 S28 K29Q21-S25 PolarHBondContact O-N 3.3Å; N22-S25 WeakPolarHBondContact O-CB 3.46Å; N22-S25 PolarHBondContact O-N 3.04Å; A23-S25 VanDerWaalsContact C-N 3.34Å; A23-S25 PolarHBondContact O-N 2.79Å; S25-S28 PolarHBondContact O-N 3.48Å; S25-K29 WeakPolarHBondContact O-CG 3.22Å; S25-K29 PolarHBondContact O-N 2.97Å; S25-K29 WeakPolarHBondContact OG-CE 3.46Å; S25-K29 PolarHBondContact OG-NZ 3.05Å
26E98.4Very high95.7Very high36 Ų3664.2 Ų64.217%0.16832%0.319CS..Hα-helixtrans-66.5-38178.8-65.9-52.1123.800112N22 A23 S28 K29 R30 N31 K34 A35 L38N22-E26 WeakPolarHBondContact O-CG 3.32Å; N22-E26 PolarHBondContact O-N 3.13Å; A23-E26 PolarHBondContact O-N 2.73Å; E26-S28 VanDerWaalsContact C-N 3.33Å; E26-S28 PolarHBondContact O-N 3.39Å; E26-K29 CarbonylContact O-C 3.42Å; E26-K29 PolarHBondContact O-N 2.98Å; E26-K29 IonicContact OE1-NZ 2.79Å; E26-K29 PolarHBondContact OE1-NZ 2.89Å; E26-R30 PolarHBondContact O-N 3.41Å; E26-N31 HydrophobicContact CB-CB 4.29Å; E26-N31 PolarHBondContact O-N 2.85Å; E26-N31 WeakPolarHBondContact OE2-CB 3.42Å; E26-N31 PolarHBondContact OE2-ND2 3.07Å; E26-K34 HydrophobicContact CB-CB 4.42Å; E26-K34 HydrophobicContact CG-CB 4.3Å; E26-K34 HydrophobicContact CG-CG 3.98Å; E26-A35 HydrophobicContact CB-CB 4.03Å; E26-L38 HydrophobicContact CG-CD1 4Å
27F97.9Very high96.4Very high38 Ų3867.5 Ų67.517%0.16733%0.333CS..Hα-helixtrans-59.1-45.7173.6-173.1-82.7000111.2A23 H24 K29 R30 F32 A35 Y39 Q66 I67 F70A23-F27 WeakPolarHBondContact O-CB 3.28Å; A23-F27 PolarHBondContact O-N 2.95Å; H24-F27 PolarHBondContact O-N 3.14Å; F27-K29 VanDerWaalsContact C-N 3.28Å; F27-K29 PolarHBondContact O-N 3.31Å; F27-R30 WeakPolarHBondContact O-CA 3.36Å; F27-R30 PolarHBondContact O-N 3.06Å; F27-F32 HydrophobicContact CD2-CD1 4.29Å; F27-F32 HydrophobicContact CD2-CE1 4.3Å; F27-F32 HydrophobicContact CE2-CD1 4.37Å; F27-F32 HydrophobicContact CE2-CE1 4.14Å; F27-F32 HydrophobicContact CZ-CE1 4.34Å; F27-A35 HydrophobicContact CB-CB 4.01Å; F27-Y39 HydrophobicContact CB-CE2 4.4Å; F27-Y39 HydrophobicContact CD2-CE2 4.14Å; F27-Q66 HydrophobicContact CE2-CB 4.46Å; F27-Q66 HydrophobicContact CZ-CG 4.24Å; F27-I67 HydrophobicContact CD2-CD1 3.99Å; F27-I67 HydrophobicContact CD2-CG1 3.86Å; F27-I67 HydrophobicContact CE2-CD1 4.36Å; F27-I67 HydrophobicContact CE2-CG1 3.74Å; F27-F70 HydrophobicContact CZ-CE2 4.12Å
28S97.4Very high97Very high98 Ų9865.7 Ų65.769%0.68532%0.32SS*.Hα-helixtrans-65.8-31.7179.4-570000112.4H24 S25 E26 R30H24-S28 WeakPolarHBondContact O-CB 3.49Å; H24-S28 PolarHBondContact O-N 3.41Å; H24-S28 PolarHBondContact O-OG 2.96Å; S25-S28 PolarHBondContact O-N 3.48Å; E26-S28 VanDerWaalsContact C-N 3.33Å; E26-S28 PolarHBondContact O-N 3.39Å; S28-R30 PolarHBondContact O-N 3.31Å
29K97.7Very high97.3Very high131 Ų13161.2 Ų61.257%0.5730%0.299SS*.THydrogen-bonded Turntrans-77.3-0.6172.6-65.6171.1-161163.70113.5S25 E26 F27 N31S25-K29 WeakPolarHBondContact O-CG 3.22Å; S25-K29 PolarHBondContact O-N 2.97Å; S25-K29 WeakPolarHBondContact OG-CE 3.46Å; S25-K29 PolarHBondContact OG-NZ 3.05Å; E26-K29 CarbonylContact O-C 3.42Å; E26-K29 PolarHBondContact O-N 2.98Å; E26-K29 IonicContact OE1-NZ 2.79Å; E26-K29 PolarHBondContact OE1-NZ 2.89Å; F27-K29 VanDerWaalsContact C-N 3.28Å; F27-K29 PolarHBondContact O-N 3.31Å; K29-N31 PolarHBondContact O-N 2.71Å
30R96Very high97.5Very high198 Ų19861.6 Ų61.675%0.74731%0.306SS*.THydrogen-bonded Turntrans6121.5-172-55.4-177.4168.5-151.6-3.6114.1E26 F27 S28 F32E26-R30 PolarHBondContact O-N 3.41Å; F27-R30 WeakPolarHBondContact O-CA 3.36Å; F27-R30 PolarHBondContact O-N 3.06Å; S28-R30 PolarHBondContact O-N 3.31Å; R30-F32 HydrophobicContact CB-CE2 4.07Å; R30-F32 HydrophobicContact CB-CZ 3.98Å; R30-F32 HydrophobicContact CG-CZ 4.12Å; R30-F32 PolarHBondContact O-N 3.32Å
31N97.7Very high97.6Very high69 Ų6967.2 Ų67.237%0.36933%0.326SS..  trans-84.271172.7-170.65.9000109.4E26 K29 D33 K34 A35E26-N31 HydrophobicContact CB-CB 4.29Å; E26-N31 PolarHBondContact O-N 2.85Å; E26-N31 WeakPolarHBondContact OE2-CB 3.42Å; E26-N31 PolarHBondContact OE2-ND2 3.07Å; K29-N31 PolarHBondContact O-N 2.71Å; N31-D33 PolarHBondContact O-N 3.46Å; N31-K34 WeakPolarHBondContact ND2-CB 3.32Å; N31-K34 PolarHBondContact O-N 3.26Å; N31-A35 WeakPolarHBondContact O-CB 3.26Å; N31-A35 PolarHBondContact O-N 2.94Å
32F97.4Very high97.6Very high57 Ų5761.9 Ų61.925%0.2530%0.301CS..Hα-helixtrans-66.6-35.6-167.2-64.4-50.2000113.6F27 R30 K34 A35 E36 I67 F70F27-F32 HydrophobicContact CD2-CD1 4.29Å; F27-F32 HydrophobicContact CD2-CE1 4.3Å; F27-F32 HydrophobicContact CE2-CD1 4.37Å; F27-F32 HydrophobicContact CE2-CE1 4.14Å; F27-F32 HydrophobicContact CZ-CE1 4.34Å; R30-F32 HydrophobicContact CB-CE2 4.07Å; R30-F32 HydrophobicContact CB-CZ 3.98Å; R30-F32 HydrophobicContact CG-CZ 4.12Å; R30-F32 PolarHBondContact O-N 3.32Å; F32-K34 VanDerWaalsContact C-N 3.33Å; F32-K34 PolarHBondContact O-N 3.3Å; F32-A35 PolarHBondContact O-N 3.42Å; F32-E36 WeakPolarHBondContact O-CB 3.34Å; F32-E36 PolarHBondContact O-N 2.92Å; F32-I67 HydrophobicContact CB-CG1 4.33Å; F32-I67 HydrophobicContact CB-CG2 3.83Å; F32-I67 HydrophobicContact CD1-CG1 3.94Å; F32-I67 HydrophobicContact CG-CG1 4.48Å; F32-F70 AromaticContact CE1-CD2 3.97Å; F32-F70 HydrophobicContact CE1-CD2 3.97Å; F32-F70 AromaticContact CE1-CE2 3.98Å; F32-F70 HydrophobicContact CE1-CE2 3.98Å; F32-F70 HydrophobicContact CE2-CD2 4.12Å; F32-F70 AromaticContact CZ-CD2 3.74Å; F32-F70 HydrophobicContact CZ-CD2 3.74Å; F32-F70 AromaticContact CZ-CE2 3.86Å; F32-F70 HydrophobicContact CZ-CE2 3.86Å
33D97.3Very high97.5Very high112 Ų11258.8 Ų58.860%0.59929%0.285SS*.Hα-helixtrans-62.6-43.6177.6-60.8-35.5000111N31 E37 R71N31-D33 PolarHBondContact O-N 3.46Å; D33-E37 PolarHBondContact O-N 2.92Å; D33-R71 IonicContact OD1-NH1 3.17Å
34K98.1Very high97.3Very high74 Ų7461.5 Ų61.532%0.32231%0.307SS..Hα-helixtrans-71.4-40.2177.7-166.868.1-165.3166.90112.2E26 N31 F32 E36 E37 L38E26-K34 HydrophobicContact CB-CB 4.42Å; E26-K34 HydrophobicContact CG-CB 4.3Å; E26-K34 HydrophobicContact CG-CG 3.98Å; N31-K34 WeakPolarHBondContact ND2-CB 3.32Å; N31-K34 PolarHBondContact O-N 3.26Å; F32-K34 VanDerWaalsContact C-N 3.33Å; F32-K34 PolarHBondContact O-N 3.3Å; K34-E36 VanDerWaalsContact C-N 3.33Å; K34-E36 PolarHBondContact O-N 2.92Å; K34-E37 VanDerWaalsContact NZ-CD 3.28Å; K34-E37 IonicContact NZ-OE1 3.77Å; K34-E37 PolarHBondContact NZ-OE1 3.15Å; K34-E37 VanDerWaalsContact NZ-OE1 3.14Å; K34-E37 IonicContact NZ-OE2 3.14Å; K34-E37 PolarHBondContact NZ-OE2 2.9Å; K34-E37 PolarHBondContact O-N 3.48Å; K34-L38 HydrophobicContact CG-CD1 4.14Å; K34-L38 VanDerWaalsContact O-CG 3.27Å; K34-L38 WeakPolarHBondContact O-CG 3.31Å; K34-L38 PolarHBondContact O-N 2.77Å
35A98.4Very high97.1Very high0 Ų060.3 Ų60.30%031%0.305CS..Hα-helixtrans-60.8-43.617700000111.5E26 F27 N31 F32 L38 Y39 I67E26-A35 HydrophobicContact CB-CB 4.03Å; F27-A35 HydrophobicContact CB-CB 4.01Å; N31-A35 WeakPolarHBondContact O-CB 3.26Å; N31-A35 PolarHBondContact O-N 2.94Å; F32-A35 PolarHBondContact O-N 3.42Å; A35-L38 PolarHBondContact O-N 3.14Å; A35-Y39 HydrophobicContact CB-CE2 4.25Å; A35-Y39 WeakPolarHBondContact O-CD2 3.44Å; A35-Y39 PolarHBondContact O-N 3.26Å; A35-I67 HydrophobicContact CB-CD1 3.76Å
36E98.4Very high96.7Very high39 Ų3958.1 Ų58.118%0.18229%0.29CS..Hα-helixtrans-61.9-46177.3174.1175.3-142.600112F32 K34 L38 Y39 A40 R64 I67 R71F32-E36 WeakPolarHBondContact O-CB 3.34Å; F32-E36 PolarHBondContact O-N 2.92Å; K34-E36 VanDerWaalsContact C-N 3.33Å; K34-E36 PolarHBondContact O-N 2.92Å; E36-L38 VanDerWaalsContact C-N 3.27Å; E36-L38 PolarHBondContact O-N 2.69Å; E36-Y39 PolarHBondContact O-N 3.24Å; E36-A40 WeakPolarHBondContact O-CB 3.41Å; E36-A40 PolarHBondContact O-N 3.47Å; E36-R64 HydrophobicContact CG-CG 4.07Å; E36-I67 HydrophobicContact CB-CD1 3.89Å; E36-I67 HydrophobicContact CB-CG2 4.2Å; E36-R71 IonicContact OE1-CZ 2.67Å; E36-R71 IonicContact OE1-NH2 3.73Å; E36-R71 PolarHBondContact OE1-NH2 3.07Å; E36-R71 IonicContact OE2-CZ 3.29Å; E36-R71 IonicContact OE2-NH1 3.72Å; E36-R71 PolarHBondContact OE2-NH1 3.24Å; E36-R71 IonicContact OE2-NH2 3.2Å; E36-R71 PolarHBondContact OE2-NH2 2.89Å
37E98.1Very high96.3Very high83 Ų8361.2 Ų61.239%0.38831%0.307SS..Hα-helixtrans-57.3-44.4176.6-171.6-156.7137.100110.8D33 K34 A40 R41D33-E37 PolarHBondContact O-N 2.92Å; K34-E37 VanDerWaalsContact NZ-CD 3.28Å; K34-E37 IonicContact NZ-OE1 3.77Å; K34-E37 PolarHBondContact NZ-OE1 3.15Å; K34-E37 VanDerWaalsContact NZ-OE1 3.14Å; K34-E37 IonicContact NZ-OE2 3.14Å; K34-E37 PolarHBondContact NZ-OE2 2.9Å; K34-E37 PolarHBondContact O-N 3.48Å; E37-A40 PolarHBondContact O-N 3.18Å; E37-R41 WeakPolarHBondContact O-CB 3.48Å; E37-R41 VanDerWaalsContact O-CG 3.3Å; E37-R41 WeakPolarHBondContact O-CG 3.25Å; E37-R41 PolarHBondContact O-N 2.91Å; E37-R41 IonicContact OE1-NH1 3.75Å
38L98.1Very high95.8Very high13 Ų1367.5 Ų67.57%0.06834%0.337CS..Hα-helixtrans-66.9-44.4179.1-67.3169.1000111.4L19 N22 A23 E26 K34 A35 E36 A40 R41 F42L19-L38 WeakPolarHBondContact CD2-O 3.35Å; L19-L38 HydrophobicContact CG-CD2 4.35Å; N22-L38 HydrophobicContact CB-CD1 3.99Å; A23-L38 HydrophobicContact CB-CB 3.59Å; A23-L38 HydrophobicContact CB-CD1 4.5Å; E26-L38 HydrophobicContact CG-CD1 4Å; K34-L38 HydrophobicContact CG-CD1 4.14Å; K34-L38 VanDerWaalsContact O-CG 3.27Å; K34-L38 WeakPolarHBondContact O-CG 3.31Å; K34-L38 PolarHBondContact O-N 2.77Å; A35-L38 PolarHBondContact O-N 3.14Å; E36-L38 VanDerWaalsContact C-N 3.27Å; E36-L38 PolarHBondContact O-N 2.69Å; L38-A40 VanDerWaalsContact C-N 3.33Å; L38-A40 PolarHBondContact O-N 2.87Å; L38-R41 PolarHBondContact O-N 3.29Å; L38-F42 PolarHBondContact O-N 3.4Å
39Y98.1Very high95.1Very high0 Ų064.9 Ų64.90%032%0.318CS..Hα-helixtrans-61.5-41.2174.1-71.8-54.6000112.3L20 A23 H24 F27 A35 E36 R41 F42 I43 A60 N63 R64 I67L20-Y39 HydrophobicContact CD1-CD1 4.04Å; L20-Y39 HydrophobicContact CD1-CE1 3.75Å; A23-Y39 HydrophobicContact CB-CD1 3.59Å; A23-Y39 HydrophobicContact CB-CD2 4.22Å; A23-Y39 HydrophobicContact CB-CE1 3.42Å; A23-Y39 VanDerWaalsContact CB-CE1 3.42Å; A23-Y39 HydrophobicContact CB-CE2 4.07Å; A23-Y39 HydrophobicContact CB-CG 3.98Å; H24-Y39 PolarHBondContact CE1-OH 3.4Å; H24-Y39 AromaticContact ND1-CZ 3.94Å; H24-Y39 PolarHBondContact ND1-OH 3.05Å; F27-Y39 HydrophobicContact CB-CE2 4.4Å; F27-Y39 HydrophobicContact CD2-CE2 4.14Å; A35-Y39 HydrophobicContact CB-CE2 4.25Å; A35-Y39 WeakPolarHBondContact O-CD2 3.44Å; A35-Y39 PolarHBondContact O-N 3.26Å; E36-Y39 PolarHBondContact O-N 3.24Å; Y39-R41 VanDerWaalsContact C-N 3.35Å; Y39-R41 PolarHBondContact O-N 2.7Å; Y39-F42 WeakPolarHBondContact O-CB 3.32Å; Y39-F42 PolarHBondContact O-N 3.37Å; Y39-I43 WeakPolarHBondContact O-CB 3.29Å; Y39-I43 WeakPolarHBondContact O-CD1 3.48Å; Y39-I43 VanDerWaalsContact O-CG1 3.23Å; Y39-I43 WeakPolarHBondContact O-CG1 3.16Å; Y39-I43 PolarHBondContact O-N 3.2Å; Y39-A60 HydrophobicContact CD1-CB 3.88Å; Y39-N63 HydrophobicContact CD2-CB 4.22Å; Y39-N63 HydrophobicContact CE1-CB 4.05Å; Y39-N63 HydrophobicContact CE2-CB 3.55Å; Y39-N63 VanDerWaalsContact CZ-CB 3.47Å; Y39-N63 PolarHBondContact OH-ND2 3.43Å; Y39-N63 VanDerWaalsContact OH-ND2 3.1Å; Y39-R64 HydrophobicContact CD2-CB 4.5Å; Y39-R64 HydrophobicContact CG-CB 4.49Å; Y39-I67 HydrophobicContact CD2-CD1 4.04Å; Y39-I67 HydrophobicContact CE2-CD1 4.21Å
40A97.8Very high94.3Very high34 Ų3469.6 Ų69.628%0.28133%0.333SS..Hα-helixtrans-62.6-41.9177.300000112E36 E37 L38 I43 A44E36-A40 WeakPolarHBondContact O-CB 3.41Å; E36-A40 PolarHBondContact O-N 3.47Å; E37-A40 PolarHBondContact O-N 3.18Å; L38-A40 VanDerWaalsContact C-N 3.33Å; L38-A40 PolarHBondContact O-N 2.87Å; A40-I43 PolarHBondContact O-N 3.44Å; A40-A44 WeakPolarHBondContact O-CB 3.39Å; A40-A44 PolarHBondContact O-N 3.46Å
41R96Very high93.2Very high131 Ų13163.4 Ų63.449%0.49431%0.314SS..Hα-helixtrans-64-42.1174.8-74.8174.560.9-178.7-3.3112.1L19 E37 L38 Y39 A44 S45L19-R41 HydrophobicContact CD1-CB 4.11Å; L19-R41 HydrophobicContact CD2-CB 4.04Å; E37-R41 WeakPolarHBondContact O-CB 3.48Å; E37-R41 VanDerWaalsContact O-CG 3.3Å; E37-R41 WeakPolarHBondContact O-CG 3.25Å; E37-R41 PolarHBondContact O-N 2.91Å; E37-R41 IonicContact OE1-NH1 3.75Å; L38-R41 PolarHBondContact O-N 3.29Å; Y39-R41 VanDerWaalsContact C-N 3.35Å; Y39-R41 PolarHBondContact O-N 2.7Å; R41-A44 PolarHBondContact O-N 3.38Å; R41-S45 WeakPolarHBondContact O-CB 3.24Å; R41-S45 PolarHBondContact O-N 2.98Å
42F95.3Very high92.4Very high5 Ų562.1 Ų62.12%0.02231%0.31CS..Hα-helixtrans-59.1-52.6175.9-179.9-103.1000110.8D16 L19 L20 L38 Y39 A44 S45 C46 K56 A60D16-F42 HydrophobicContact CB-CD2 4.29Å; D16-F42 HydrophobicContact CB-CE2 3.98Å; D16-F42 VanDerWaalsContact O-CD2 3.31Å; D16-F42 WeakPolarHBondContact O-CD2 3.43Å; D16-F42 WeakPolarHBondContact O-CE2 3.42Å; L19-F42 VanDerWaalsContact CD2-CA 3.41Å; L19-F42 HydrophobicContact CD2-CB 3.4Å; L19-F42 HydrophobicContact CD2-CD2 4.34Å; L19-F42 HydrophobicContact CD2-CG 4.37Å; L20-F42 HydrophobicContact CB-CD2 3.86Å; L20-F42 HydrophobicContact CB-CE2 3.87Å; L20-F42 HydrophobicContact CB-CG 4.4Å; L20-F42 HydrophobicContact CB-CZ 4.42Å; L20-F42 HydrophobicContact CD1-CD1 4.28Å; L20-F42 HydrophobicContact CD1-CE1 4.4Å; L20-F42 HydrophobicContact CD1-CG 4.39Å; L20-F42 HydrophobicContact CD2-CE1 4.31Å; L20-F42 HydrophobicContact CD2-CE2 4.18Å; L20-F42 HydrophobicContact CD2-CZ 3.93Å; L20-F42 HydrophobicContact CG-CE2 4.48Å; L38-F42 PolarHBondContact O-N 3.4Å; Y39-F42 WeakPolarHBondContact O-CB 3.32Å; Y39-F42 PolarHBondContact O-N 3.37Å; F42-A44 VanDerWaalsContact C-N 3.31Å; F42-A44 PolarHBondContact O-N 2.91Å; F42-S45 PolarHBondContact O-N 3.44Å; F42-C46 WeakPolarHBondContact O-CB 3.35Å; F42-C46 PolarHBondContact O-N 2.73Å; F42-K56 HydrophobicContact CZ-CB 4.12Å; F42-A60 HydrophobicContact CD1-CB 3.51Å; F42-A60 HydrophobicContact CE1-CB 3.9Å
43I95.6Very high92Very high7 Ų764.7 Ų64.74%0.03632%0.323CS..Hα-helixtrans-58.1-45.2179.8-68.5160.5000110.4Y39 A40 C46 L47 L57 A60 Y61Y39-I43 WeakPolarHBondContact O-CB 3.29Å; Y39-I43 WeakPolarHBondContact O-CD1 3.48Å; Y39-I43 VanDerWaalsContact O-CG1 3.23Å; Y39-I43 WeakPolarHBondContact O-CG1 3.16Å; Y39-I43 PolarHBondContact O-N 3.2Å; A40-I43 PolarHBondContact O-N 3.44Å; I43-C46 WeakPolarHBondContact O-CB 3.5Å; I43-C46 PolarHBondContact O-N 2.92Å; I43-L47 HydrophobicContact CG2-CD1 3.92Å; I43-L47 HydrophobicContact CG2-CG 4.37Å; I43-L47 WeakPolarHBondContact O-CB 3.33Å; I43-L47 VanDerWaalsContact O-CG 3.26Å; I43-L47 WeakPolarHBondContact O-CG 3.31Å; I43-L47 PolarHBondContact O-N 3.22Å; I43-L57 HydrophobicContact CB-CD1 4.38Å; I43-L57 HydrophobicContact CG1-CD1 3.98Å; I43-L57 HydrophobicContact CG2-CD1 4.35Å; I43-A60 HydrophobicContact CD1-CB 4.38Å; I43-A60 HydrophobicContact CG1-CB 4.07Å; I43-Y61 HydrophobicContact CD1-CD1 3.64Å; I43-Y61 HydrophobicContact CD1-CE1 3.82Å; I43-Y61 HydrophobicContact CD1-CG 4.17Å; I43-Y61 HydrophobicContact CG1-CD1 4.32Å; I43-Y61 HydrophobicContact CG1-CE1 4.22Å; I43-Y61 HydrophobicContact CG2-CE1 3.67Å; I43-Y61 HydrophobicContact CG2-CE2 4.38Å; I43-Y61 WeakPolarHBondContact CG2-OH 3.35Å
44A94.3Very high91.8Very high57 Ų5761.8 Ų61.847%0.47132%0.315SS..Hα-helixtrans-63.2-46.9179.400000112.5A40 R41 F42 C46 L47 Q48A40-A44 WeakPolarHBondContact O-CB 3.39Å; A40-A44 PolarHBondContact O-N 3.46Å; R41-A44 PolarHBondContact O-N 3.38Å; F42-A44 VanDerWaalsContact C-N 3.31Å; F42-A44 PolarHBondContact O-N 2.91Å; A44-C46 VanDerWaalsContact C-N 3.29Å; A44-C46 PolarHBondContact O-N 3.46Å; A44-L47 PolarHBondContact O-N 3.25Å; A44-Q48 WeakPolarHBondContact O-CB 3.12Å; A44-Q48 PolarHBondContact O-N 3.42Å; A44-Q48 VanDerWaalsContact O-N 3.11Å
45S92.4Very high91.6Very high34 Ų3461.3 Ų61.324%0.23832%0.321CS..Hα-helixtrans-57.2-47.2175.2-173.20000110.7D16 R41 F42 L47 Q48 S49D16-S45 VanDerWaalsContact OD1-CB 3.23Å; D16-S45 WeakPolarHBondContact OD1-CB 3.39Å; D16-S45 PolarHBondContact OD1-OG 2.94Å; D16-S45 PolarHBondContact OD2-OG 3.49Å; R41-S45 WeakPolarHBondContact O-CB 3.24Å; R41-S45 PolarHBondContact O-N 2.98Å; F42-S45 PolarHBondContact O-N 3.44Å; S45-L47 PolarHBondContact O-N 3.38Å; S45-Q48 WeakPolarHBondContact O-CB 3.32Å; S45-Q48 PolarHBondContact O-N 3.45Å; S45-Q48 VanDerWaalsContact O-N 3.12Å; S45-S49 PolarHBondContact O-N 3.44Å; S45-S49 PolarHBondContact O-OG 2.96Å
46C90.9Very high91.4Very high5 Ų564.5 Ų64.53%0.03434%0.335CS..Hα-helixtrans-61.3-43.9-178.6-172.70000114F42 I43 A44 Q48 S49 R50 C52 L57F42-C46 WeakPolarHBondContact O-CB 3.35Å; F42-C46 PolarHBondContact O-N 2.73Å; I43-C46 WeakPolarHBondContact O-CB 3.5Å; I43-C46 PolarHBondContact O-N 2.92Å; A44-C46 VanDerWaalsContact C-N 3.29Å; A44-C46 PolarHBondContact O-N 3.46Å; C46-Q48 VanDerWaalsContact C-N 3.3Å; C46-Q48 PolarHBondContact O-N 3.45Å; C46-S49 PolarHBondContact O-OG 3.21Å; C46-R50 WeakPolarHBondContact O-CA 3.42Å; C46-R50 PolarHBondContact O-N 2.91Å; C46-C52 WeakPolarHBondContact CA-SG 3.08Å; C46-C52 HydrophobicContact CB-CB 4.24Å; C46-C52 WeakPolarHBondContact CB-SG 3.28Å; C46-C52 WeakPolarHBondContact SG-CB 3.48Å; C46-C52 CovalentContact SG-SG 2Å; C46-C52 PolarHBondContact SG-SG 2.77Å; C46-L57 HydrophobicContact CB-CD1 4.16Å
47L88.9Confident91.3Very high101 Ų10163.6 Ų63.653%0.52933%0.331SS..Hα-helixtrans-68.8-30.9176.9-68.8174.9000112.1I43 A44 S45I43-L47 HydrophobicContact CG2-CD1 3.92Å; I43-L47 HydrophobicContact CG2-CG 4.37Å; I43-L47 WeakPolarHBondContact O-CB 3.33Å; I43-L47 VanDerWaalsContact O-CG 3.26Å; I43-L47 WeakPolarHBondContact O-CG 3.31Å; I43-L47 PolarHBondContact O-N 3.22Å; A44-L47 PolarHBondContact O-N 3.25Å; S45-L47 PolarHBondContact O-N 3.38Å
48Q87.7Confident91.3Very high170 Ų17059.6 Ų59.679%0.79431%0.312SS*.Hα-helixtrans-74.4-46.8177.6-174.9175.225.600111.9A44 S45 C46 R50A44-Q48 WeakPolarHBondContact O-CB 3.12Å; A44-Q48 PolarHBondContact O-N 3.42Å; A44-Q48 VanDerWaalsContact O-N 3.11Å; S45-Q48 WeakPolarHBondContact O-CB 3.32Å; S45-Q48 PolarHBondContact O-N 3.45Å; S45-Q48 VanDerWaalsContact O-N 3.12Å; C46-Q48 VanDerWaalsContact C-N 3.3Å; C46-Q48 PolarHBondContact O-N 3.45Å; Q48-R50 VanDerWaalsContact C-N 3.32Å
49S83.8Confident91.2Very high42 Ų4260.6 Ų60.629%0.29432%0.319SS..Hα-helixtrans-75-23.9-179.4670000112.5S45 C46 N51S45-S49 PolarHBondContact O-N 3.44Å; S45-S49 PolarHBondContact O-OG 2.96Å; C46-S49 PolarHBondContact O-OG 3.21Å; S49-N51 PolarHBondContact O-N 3.5Å; S49-N51 VanDerWaalsContact O-N 3.14Å; S49-N51 PolarHBondContact OG-N 3.41Å
50R80Confident91.2Very high230 Ų23060.6 Ų60.687%0.86832%0.319SS*.  trans52.923.2-169.7-59.1-176.7175.2-170.8-1.8112.8C46 Q48C46-R50 WeakPolarHBondContact O-CA 3.42Å; C46-R50 PolarHBondContact O-N 2.91Å; Q48-R50 VanDerWaalsContact C-N 3.32Å
51N73.1Confident91.3Very high68 Ų6860 Ų6036%0.36431%0.31SS..  trans-125.567-172.8-169.737.3000111.2F9 E13 S49F9-N51 WeakPolarHBondContact CE2-ND2 3.25Å; F9-N51 WeakPolarHBondContact CZ-ND2 3.3Å; E13-N51 PolarHBondContact OE1-ND2 3.29Å; S49-N51 PolarHBondContact O-N 3.5Å; S49-N51 VanDerWaalsContact O-N 3.14Å; S49-N51 PolarHBondContact OG-N 3.41Å
52C80.8Confident91.4Very high42 Ų4254 Ų5428%0.28429%0.287SS..  trans-134.1151.2171.4-51.10000111.8C46 A54C46-C52 WeakPolarHBondContact CA-SG 3.08Å; C46-C52 HydrophobicContact CB-CB 4.24Å; C46-C52 WeakPolarHBondContact CB-SG 3.28Å; C46-C52 WeakPolarHBondContact SG-CB 3.48Å; C46-C52 CovalentContact SG-SG 2Å; C46-C52 PolarHBondContact SG-SG 2.77Å; C52-A54 PolarHBondContact O-N 2.95Å
53E89.6Confident91.5Very high112 Ų11254.8 Ų54.852%0.52329%0.291SS..  trans-61.5125.2164.1-65.8167.2-144.800110S55 K56 L57E53-S55 PolarHBondContact O-N 3.27Å; E53-K56 HydrophobicContact CB-CB 4.28Å; E53-K56 HydrophobicContact CB-CD 4.13Å; E53-K56 HydrophobicContact CB-CG 4.14Å; E53-K56 VanDerWaalsContact CD-NZ 3.25Å; E53-K56 HydrophobicContact CG-CD 4.46Å; E53-K56 PolarHBondContact O-N 3.17Å; E53-K56 IonicContact OE1-NZ 2.74Å; E53-K56 PolarHBondContact OE1-NZ 3.11Å; E53-K56 WeakPolarHBondContact OE2-CD 3.48Å; E53-K56 WeakPolarHBondContact OE2-CE 3.48Å; E53-K56 IonicContact OE2-NZ 3.26Å; E53-K56 PolarHBondContact OE2-NZ 3.42Å; E53-L57 PolarHBondContact O-N 3.07Å; E53-L57 VanDerWaalsContact O-N 3.07Å
54A91.7Very high91.7Very high51 Ų5156.6 Ų56.642%0.42130%0.298SS..Hα-helixtrans-52.6-4017800000111.9C52 K56 L57 A58 T87C52-A54 PolarHBondContact O-N 2.95Å; A54-K56 PolarHBondContact O-N 3Å; A54-L57 PolarHBondContact O-N 3.12Å; A54-A58 VanDerWaalsContact O-CB 3.29Å; A54-A58 WeakPolarHBondContact O-CB 3.29Å; A54-A58 PolarHBondContact O-N 2.97Å; A54-T87 HydrophobicContact CB-CG2 4.21Å; A54-T87 VanDerWaalsContact O-CG2 3.3Å; A54-T87 WeakPolarHBondContact O-CG2 3.29Å
55S94.2Very high91.9Very high63 Ų6353.9 Ų53.944%0.44128%0.275SS..Hα-helixtrans-61.3-42.7177.7-178.20000113E53 T59E53-S55 PolarHBondContact O-N 3.27Å; S55-T59 WeakPolarHBondContact O-CB 3.33Å; S55-T59 PolarHBondContact O-N 2.98Å; S55-T59 PolarHBondContact O-OG1 2.93Å
56K94.8Very high92.2Very high68 Ų6854.7 Ų54.730%0.29628%0.275SS..Hα-helixtrans-67-43.4177.1-71.9177.4179.9158.40111.3L20 F42 E53 A54 T59 A60L20-K56 HydrophobicContact CD2-CB 3.85Å; L20-K56 HydrophobicContact CD2-CD 4.26Å; L20-K56 HydrophobicContact CD2-CG 4Å; F42-K56 HydrophobicContact CZ-CB 4.12Å; E53-K56 HydrophobicContact CB-CB 4.28Å; E53-K56 HydrophobicContact CB-CD 4.13Å; E53-K56 HydrophobicContact CB-CG 4.14Å; E53-K56 VanDerWaalsContact CD-NZ 3.25Å; E53-K56 HydrophobicContact CG-CD 4.46Å; E53-K56 PolarHBondContact O-N 3.17Å; E53-K56 IonicContact OE1-NZ 2.74Å; E53-K56 PolarHBondContact OE1-NZ 3.11Å; E53-K56 WeakPolarHBondContact OE2-CD 3.48Å; E53-K56 WeakPolarHBondContact OE2-CE 3.48Å; E53-K56 IonicContact OE2-NZ 3.26Å; E53-K56 PolarHBondContact OE2-NZ 3.42Å; A54-K56 PolarHBondContact O-N 3Å; K56-T59 PolarHBondContact O-N 2.72Å; K56-A60 PolarHBondContact O-N 2.84Å
57L95.9Very high92.6Very high19 Ų1954.4 Ų54.410%0.09927%0.274CS..Hα-helixtrans-64.2-44.5177.5-179.459.4000111.9I43 C46 E53 A54 T59 A60 Y61 T87I43-L57 HydrophobicContact CB-CD1 4.38Å; I43-L57 HydrophobicContact CG1-CD1 3.98Å; I43-L57 HydrophobicContact CG2-CD1 4.35Å; C46-L57 HydrophobicContact CB-CD1 4.16Å; E53-L57 PolarHBondContact O-N 3.07Å; E53-L57 VanDerWaalsContact O-N 3.07Å; A54-L57 PolarHBondContact O-N 3.12Å; L57-T59 VanDerWaalsContact C-N 3.32Å; L57-T59 PolarHBondContact O-N 3.36Å; L57-A60 PolarHBondContact O-N 3.42Å; L57-Y61 HydrophobicContact CD1-CD2 4Å; L57-Y61 HydrophobicContact CD1-CE2 3.6Å; L57-Y61 HydrophobicContact CD2-CE2 4.17Å; L57-Y61 HydrophobicContact CG-CD2 3.96Å; L57-Y61 HydrophobicContact CG-CE2 3.67Å; L57-Y61 VanDerWaalsContact O-CD2 3.27Å; L57-Y61 WeakPolarHBondContact O-CD2 3.36Å; L57-Y61 PolarHBondContact O-N 2.89Å; L57-T87 HydrophobicContact CB-CG2 3.89Å; L57-T87 HydrophobicContact CD2-CG2 3.83Å; L57-T87 HydrophobicContact CG-CG2 3.86Å
58A97.6Very high93Very high0 Ų050.7 Ų50.70%025%0.253CS..Hα-helixtrans-62.5-39.4175.500000112A54 Y61 N62 A84 T87 D88 F91A54-A58 VanDerWaalsContact O-CB 3.29Å; A54-A58 WeakPolarHBondContact O-CB 3.29Å; A54-A58 PolarHBondContact O-N 2.97Å; A58-Y61 PolarHBondContact O-N 3.33Å; A58-N62 WeakPolarHBondContact O-CB 3.46Å; A58-N62 PolarHBondContact O-N 3.38Å; A58-A84 HydrophobicContact CB-CB 4.45Å; A58-A84 WeakPolarHBondContact O-CB 3.49Å; A58-T87 HydrophobicContact CB-CG2 4.08Å; A58-D88 HydrophobicContact CB-CB 3.5Å; A58-D88 VanDerWaalsContact CB-CB 3.5Å; A58-F91 HydrophobicContact CB-CD1 4.01Å
59T97.4Very high93.5Very high33 Ų3344.6 Ų44.620%0.20222%0.223CC..Hα-helixtrans-62.9-43174.4-59.50000111.9S55 K56 L57 N62 N63S55-T59 WeakPolarHBondContact O-CB 3.33Å; S55-T59 PolarHBondContact O-N 2.98Å; S55-T59 PolarHBondContact O-OG1 2.93Å; K56-T59 PolarHBondContact O-N 2.72Å; L57-T59 VanDerWaalsContact C-N 3.32Å; L57-T59 PolarHBondContact O-N 3.36Å; T59-N62 PolarHBondContact O-N 3.22Å; T59-N63 WeakPolarHBondContact O-CB 3.45Å; T59-N63 VanDerWaalsContact O-CG 3.3Å; T59-N63 PolarHBondContact O-N 2.89Å; T59-N63 PolarHBondContact O-OD1 3.34Å
60A97.9Very high94.1Very high0 Ų047.2 Ų47.20%023%0.23CC..Hα-helixtrans-63.2-45.5177.600000112L20 Y39 F42 I43 K56 L57 N63 R64L20-A60 HydrophobicContact CD1-CB 4.12Å; Y39-A60 HydrophobicContact CD1-CB 3.88Å; F42-A60 HydrophobicContact CD1-CB 3.51Å; F42-A60 HydrophobicContact CE1-CB 3.9Å; I43-A60 HydrophobicContact CD1-CB 4.38Å; I43-A60 HydrophobicContact CG1-CB 4.07Å; K56-A60 PolarHBondContact O-N 2.84Å; L57-A60 PolarHBondContact O-N 3.42Å; A60-N63 PolarHBondContact O-N 3.48Å; A60-R64 WeakPolarHBondContact O-CB 3.37Å; A60-R64 PolarHBondContact O-N 2.96Å
61Y98.7Very high94.9Very high23 Ų2340.7 Ų40.79%0.0921%0.205CC..Hα-helixtrans-58-48.6172.7-81.7-59.4000111.6I43 L57 A58 N63 R64 G65 D80I43-Y61 HydrophobicContact CD1-CD1 3.64Å; I43-Y61 HydrophobicContact CD1-CE1 3.82Å; I43-Y61 HydrophobicContact CD1-CG 4.17Å; I43-Y61 HydrophobicContact CG1-CD1 4.32Å; I43-Y61 HydrophobicContact CG1-CE1 4.22Å; I43-Y61 HydrophobicContact CG2-CE1 3.67Å; I43-Y61 HydrophobicContact CG2-CE2 4.38Å; I43-Y61 WeakPolarHBondContact CG2-OH 3.35Å; L57-Y61 HydrophobicContact CD1-CD2 4Å; L57-Y61 HydrophobicContact CD1-CE2 3.6Å; L57-Y61 HydrophobicContact CD2-CE2 4.17Å; L57-Y61 HydrophobicContact CG-CD2 3.96Å; L57-Y61 HydrophobicContact CG-CE2 3.67Å; L57-Y61 VanDerWaalsContact O-CD2 3.27Å; L57-Y61 WeakPolarHBondContact O-CD2 3.36Å; L57-Y61 PolarHBondContact O-N 2.89Å; A58-Y61 PolarHBondContact O-N 3.33Å; Y61-N63 PolarHBondContact O-N 2.72Å; Y61-R64 PolarHBondContact O-N 2.96Å; Y61-G65 PolarHBondContact O-N 2.92Å; Y61-D80 WeakPolarHBondContact O-CB 3.46Å
62N98.7Very high96.1Very high4 Ų442 Ų422%0.02122%0.215CC..Hα-helixtrans-57.2-48.8179.1178.874.3000112.5A58 T59 G65 Q66 Y81 A84 F91 P94 N97A58-N62 WeakPolarHBondContact O-CB 3.46Å; A58-N62 PolarHBondContact O-N 3.38Å; T59-N62 PolarHBondContact O-N 3.22Å; N62-G65 PolarHBondContact O-N 2.93Å; N62-Q66 PolarHBondContact O-N 3.34Å; N62-Y81 WeakPolarHBondContact O-CE1 3.3Å; N62-A84 HydrophobicContact CB-CB 4.42Å; N62-F91 HydrophobicContact CB-CE1 3.73Å; N62-F91 HydrophobicContact CB-CZ 4.32Å; N62-P94 HydrophobicContact CB-CG 4.08Å; N62-N97 PolarHBondContact OD1-ND2 2.84Å
63N98.6Very high96.9Very high21 Ų2142.7 Ų42.711%0.11222%0.216CC..Hα-helixtrans-71.3-34.5-175.5-66.9-3000111.7H24 Y39 T59 A60 Y61 Q66 I67H24-N63 PolarHBondContact CE1-ND2 3.33Å; H24-N63 VanDerWaalsContact CE1-ND2 3.32Å; H24-N63 PolarHBondContact ND1-ND2 2.97Å; Y39-N63 HydrophobicContact CD2-CB 4.22Å; Y39-N63 HydrophobicContact CE1-CB 4.05Å; Y39-N63 HydrophobicContact CE2-CB 3.55Å; Y39-N63 VanDerWaalsContact CZ-CB 3.47Å; Y39-N63 PolarHBondContact OH-ND2 3.43Å; Y39-N63 VanDerWaalsContact OH-ND2 3.1Å; T59-N63 WeakPolarHBondContact O-CB 3.45Å; T59-N63 VanDerWaalsContact O-CG 3.3Å; T59-N63 PolarHBondContact O-N 2.89Å; T59-N63 PolarHBondContact O-OD1 3.34Å; A60-N63 PolarHBondContact O-N 3.48Å; Y61-N63 PolarHBondContact O-N 2.72Å; N63-Q66 WeakPolarHBondContact O-CB 3.39Å; N63-Q66 PolarHBondContact O-N 3.21Å; N63-I67 WeakPolarHBondContact O-CG1 3.3Å; N63-I67 PolarHBondContact O-N 3.35Å; N63-I67 VanDerWaalsContact O-N 3.11Å
64R98.8Very high97.2Very high45 Ų4539.3 Ų39.317%0.1720%0.2CC..Hα-helixtrans-63.3-43.6170.4-167176.472.21760.3111.6E36 Y39 A60 Y61 Q66 I67 K68 D80E36-R64 HydrophobicContact CG-CG 4.07Å; Y39-R64 HydrophobicContact CD2-CB 4.5Å; Y39-R64 HydrophobicContact CG-CB 4.49Å; A60-R64 WeakPolarHBondContact O-CB 3.37Å; A60-R64 PolarHBondContact O-N 2.96Å; Y61-R64 PolarHBondContact O-N 2.96Å; R64-Q66 VanDerWaalsContact C-N 3.26Å; R64-Q66 PolarHBondContact O-N 2.64Å; R64-I67 WeakPolarHBondContact O-CB 3.46Å; R64-I67 PolarHBondContact O-N 3.06Å; R64-K68 PolarHBondContact O-N 3.37Å; R64-K68 VanDerWaalsContact O-N 3.16Å; R64-D80 WeakPolarHBondContact CG-OD2 3.39Å; R64-D80 IonicContact CZ-OD1 3.82Å; R64-D80 VanDerWaalsContact CZ-OD1 3.23Å; R64-D80 IonicContact CZ-OD2 3.14Å; R64-D80 IonicContact NE-OD1 2.87Å; R64-D80 PolarHBondContact NE-OD1 2.67Å; R64-D80 IonicContact NE-OD2 2.73Å; R64-D80 PolarHBondContact NE-OD2 3.11Å; R64-D80 IonicContact NH2-OD1 3.95Å; R64-D80 PolarHBondContact NH2-OD1 3.21Å; R64-D80 IonicContact NH2-OD2 2.77Å
65G98.8Very high97.5Very high0 Ų044.6 Ų44.60%021%0.21CC..Hα-helixtrans-59.6-37.3173.500000112.5Y61 N62 K68 Y69 A77 D80 Y81Y61-G65 PolarHBondContact O-N 2.92Å; N62-G65 PolarHBondContact O-N 2.93Å; G65-K68 PolarHBondContact O-N 3.4Å; G65-Y69 WeakPolarHBondContact O-CB 3.49Å; G65-Y69 PolarHBondContact O-N 2.87Å; G65-A77 WeakPolarHBondContact O-CB 3.49Å; G65-D80 PolarHBondContact N-OD2 3.4Å; G65-Y81 VanDerWaalsContact C-OH 3.32Å; G65-Y81 PolarHBondContact O-OH 3.43Å
66Q98.6Very high97.7Very high51 Ų5145.7 Ų45.724%0.23821%0.208CC..Hα-helixtrans-66.2-38.9177.2-167.7174.128.800112.8F27 N62 N63 R64 Y69 F70 Y81F27-Q66 HydrophobicContact CE2-CB 4.46Å; F27-Q66 HydrophobicContact CZ-CG 4.24Å; N62-Q66 PolarHBondContact O-N 3.34Å; N63-Q66 WeakPolarHBondContact O-CB 3.39Å; N63-Q66 PolarHBondContact O-N 3.21Å; R64-Q66 VanDerWaalsContact C-N 3.26Å; R64-Q66 PolarHBondContact O-N 2.64Å; Q66-Y69 WeakPolarHBondContact O-CB 3.2Å; Q66-Y69 PolarHBondContact O-N 3.26Å; Q66-F70 HydrophobicContact CG-CD2 4.5Å; Q66-F70 HydrophobicContact CG-CE1 4.12Å; Q66-F70 HydrophobicContact CG-CE2 3.81Å; Q66-F70 HydrophobicContact CG-CZ 3.59Å; Q66-F70 WeakPolarHBondContact O-CD2 3.32Å; Q66-F70 VanDerWaalsContact O-CG 3.3Å; Q66-F70 WeakPolarHBondContact O-CG 3.46Å; Q66-F70 PolarHBondContact O-N 3.47Å; Q66-Y81 WeakPolarHBondContact CA-OH 3.49Å; Q66-Y81 PolarHBondContact N-OH 3.49Å
67I98.6Very high97.9Very high0 Ų042.5 Ų42.50%019%0.194CC..Hα-helixtrans-60-49.6173.1-66.5166.3000110.5F27 F32 A35 E36 Y39 N63 R64 Y69 F70 R71F27-I67 HydrophobicContact CD2-CD1 3.99Å; F27-I67 HydrophobicContact CD2-CG1 3.86Å; F27-I67 HydrophobicContact CE2-CD1 4.36Å; F27-I67 HydrophobicContact CE2-CG1 3.74Å; F32-I67 HydrophobicContact CB-CG1 4.33Å; F32-I67 HydrophobicContact CB-CG2 3.83Å; F32-I67 HydrophobicContact CD1-CG1 3.94Å; F32-I67 HydrophobicContact CG-CG1 4.48Å; A35-I67 HydrophobicContact CB-CD1 3.76Å; E36-I67 HydrophobicContact CB-CD1 3.89Å; E36-I67 HydrophobicContact CB-CG2 4.2Å; Y39-I67 HydrophobicContact CD2-CD1 4.04Å; Y39-I67 HydrophobicContact CE2-CD1 4.21Å; N63-I67 WeakPolarHBondContact O-CG1 3.3Å; N63-I67 PolarHBondContact O-N 3.35Å; N63-I67 VanDerWaalsContact O-N 3.11Å; R64-I67 WeakPolarHBondContact O-CB 3.46Å; R64-I67 PolarHBondContact O-N 3.06Å; I67-Y69 VanDerWaalsContact C-N 3.31Å; I67-Y69 PolarHBondContact O-N 3.3Å; I67-F70 WeakPolarHBondContact O-CB 3.47Å; I67-F70 PolarHBondContact O-N 2.93Å; I67-F70 VanDerWaalsContact O-N 3.12Å; I67-R71 PolarHBondContact O-N 3.43Å
68K98.6Very high98Very high22 Ų2243.3 Ų43.310%0.09620%0.198CC..Hα-helixtrans-60.2-41177.4-73.1168.9170.7-179.30112.1R64 G65 F70 R71 V72 D73 E76 A77 D80R64-K68 PolarHBondContact O-N 3.37Å; R64-K68 VanDerWaalsContact O-N 3.16Å; G65-K68 PolarHBondContact O-N 3.4Å; K68-F70 VanDerWaalsContact C-N 3.34Å; K68-F70 PolarHBondContact O-N 3.24Å; K68-R71 CarbonylContact O-C 3.6Å; K68-R71 WeakPolarHBondContact O-CA 3.48Å; K68-R71 PolarHBondContact O-N 2.99Å; K68-V72 PolarHBondContact O-N 3.37Å; K68-V72 VanDerWaalsContact O-N 3.11Å; K68-D73 HydrophobicContact CB-CB 4.06Å; K68-D73 PolarHBondContact O-N 3.16Å; K68-E76 HydrophobicContact CD-CB 3.74Å; K68-E76 PolarHBondContact NZ-O 3.37Å; K68-A77 HydrophobicContact CB-CB 3.86Å; K68-D80 VanDerWaalsContact CD-OD2 3.31Å; K68-D80 WeakPolarHBondContact CD-OD2 3.47Å; K68-D80 WeakPolarHBondContact CE-OD2 3.4Å; K68-D80 IonicContact NZ-OD1 2.93Å; K68-D80 IonicContact NZ-OD2 2.91Å; K68-D80 PolarHBondContact NZ-OD2 2.93Å
69Y98.3Very high98.1Very high43 Ų4349.4 Ų49.417%0.16923%0.226CC..Hα-helixtrans-59.5-42.4173.5174-93000112.4G65 Q66 I67 R71 V72 F74 I101 R104G65-Y69 WeakPolarHBondContact O-CB 3.49Å; G65-Y69 PolarHBondContact O-N 2.87Å; Q66-Y69 WeakPolarHBondContact O-CB 3.2Å; Q66-Y69 PolarHBondContact O-N 3.26Å; I67-Y69 VanDerWaalsContact C-N 3.31Å; I67-Y69 PolarHBondContact O-N 3.3Å; Y69-R71 PolarHBondContact O-N 3.24Å; Y69-V72 PolarHBondContact O-N 2.9Å; Y69-F74 AromaticContact CD2-CD1 3.94Å; Y69-F74 HydrophobicContact CD2-CD1 3.94Å; Y69-F74 AromaticContact CD2-CE1 3.68Å; Y69-F74 HydrophobicContact CD2-CE1 3.68Å; Y69-F74 HydrophobicContact CE2-CD1 4.32Å; Y69-F74 AromaticContact CE2-CE1 3.69Å; Y69-F74 HydrophobicContact CE2-CE1 3.69Å; Y69-I101 HydrophobicContact CD2-CD1 3.86Å; Y69-I101 HydrophobicContact CD2-CG1 3.59Å; Y69-I101 HydrophobicContact CE2-CG1 3.88Å; Y69-R104 VanDerWaalsContact OH-CZ 3.26Å; Y69-R104 PolarHBondContact OH-NE 3.48Å; Y69-R104 PolarHBondContact OH-NH2 2.87Å
70F96.7Very high98.1Very high97 Ų9747.9 Ų47.943%0.42522%0.217SC..Hα-helixtrans-63.3-25.7175.8-64.1-30.9000113.2F27 F32 Q66 I67 K68F27-F70 HydrophobicContact CZ-CE2 4.12Å; F32-F70 AromaticContact CE1-CD2 3.97Å; F32-F70 HydrophobicContact CE1-CD2 3.97Å; F32-F70 AromaticContact CE1-CE2 3.98Å; F32-F70 HydrophobicContact CE1-CE2 3.98Å; F32-F70 HydrophobicContact CE2-CD2 4.12Å; F32-F70 AromaticContact CZ-CD2 3.74Å; F32-F70 HydrophobicContact CZ-CD2 3.74Å; F32-F70 AromaticContact CZ-CE2 3.86Å; F32-F70 HydrophobicContact CZ-CE2 3.86Å; Q66-F70 HydrophobicContact CG-CD2 4.5Å; Q66-F70 HydrophobicContact CG-CE1 4.12Å; Q66-F70 HydrophobicContact CG-CE2 3.81Å; Q66-F70 HydrophobicContact CG-CZ 3.59Å; Q66-F70 WeakPolarHBondContact O-CD2 3.32Å; Q66-F70 VanDerWaalsContact O-CG 3.3Å; Q66-F70 WeakPolarHBondContact O-CG 3.46Å; Q66-F70 PolarHBondContact O-N 3.47Å; I67-F70 WeakPolarHBondContact O-CB 3.47Å; I67-F70 PolarHBondContact O-N 2.93Å; I67-F70 VanDerWaalsContact O-N 3.12Å; K68-F70 VanDerWaalsContact C-N 3.34Å; K68-F70 PolarHBondContact O-N 3.24Å
71R96.8Very high98.2Very high92 Ų9248 Ų4835%0.34722%0.217SC..THydrogen-bonded Turntrans-89.51.7172.9-67.2-174.5-53.5-150.7-4.9114D33 E36 I67 K68 Y69 D73D33-R71 IonicContact OD1-NH1 3.17Å; E36-R71 IonicContact OE1-CZ 2.67Å; E36-R71 IonicContact OE1-NH2 3.73Å; E36-R71 PolarHBondContact OE1-NH2 3.07Å; E36-R71 IonicContact OE2-CZ 3.29Å; E36-R71 IonicContact OE2-NH1 3.72Å; E36-R71 PolarHBondContact OE2-NH1 3.24Å; E36-R71 IonicContact OE2-NH2 3.2Å; E36-R71 PolarHBondContact OE2-NH2 2.89Å; I67-R71 PolarHBondContact O-N 3.43Å; K68-R71 CarbonylContact O-C 3.6Å; K68-R71 WeakPolarHBondContact O-CA 3.48Å; K68-R71 PolarHBondContact O-N 2.99Å; Y69-R71 PolarHBondContact O-N 3.24Å; R71-D73 VanDerWaalsContact CB-OD2 3.3Å; R71-D73 WeakPolarHBondContact CB-OD2 3.41Å; R71-D73 IonicContact CZ-OD2 2.7Å; R71-D73 IonicContact NE-OD2 3.77Å; R71-D73 PolarHBondContact NE-OD2 3.37Å; R71-D73 IonicContact NH2-OD2 2.73Å; R71-D73 PolarHBondContact O-N 3.24Å
72V96.6Very high98.2Very high96 Ų9648.8 Ų48.858%0.58223%0.225SC*.THydrogen-bonded Turntrans68.718.7-178.8-160.40000112.7K68 Y69 F74K68-V72 PolarHBondContact O-N 3.37Å; K68-V72 VanDerWaalsContact O-N 3.11Å; Y69-V72 PolarHBondContact O-N 2.9Å; V72-F74 HydrophobicContact CG1-CD2 4.15Å; V72-F74 HydrophobicContact CG1-CE1 4.2Å; V72-F74 HydrophobicContact CG1-CE2 3.6Å; V72-F74 HydrophobicContact CG1-CZ 3.63Å; V72-F74 PolarHBondContact O-N 3.25Å
73D97.7Very high98.2Very high57 Ų5750.1 Ų50.131%0.30523%0.234SC..  trans-80.266.5174.3-54.1-38.8000109.5K68 R71 Y75 E76 A77K68-D73 HydrophobicContact CB-CB 4.06Å; K68-D73 PolarHBondContact O-N 3.16Å; R71-D73 VanDerWaalsContact CB-OD2 3.3Å; R71-D73 WeakPolarHBondContact CB-OD2 3.41Å; R71-D73 IonicContact CZ-OD2 2.7Å; R71-D73 IonicContact NE-OD2 3.77Å; R71-D73 PolarHBondContact NE-OD2 3.37Å; R71-D73 IonicContact NH2-OD2 2.73Å; R71-D73 PolarHBondContact O-N 3.24Å; D73-Y75 PolarHBondContact O-N 2.87Å; D73-E76 HydrophobicContact CB-CB 4.42Å; D73-E76 PolarHBondContact O-N 3.41Å; D73-A77 VanDerWaalsContact O-CB 3.28Å; D73-A77 WeakPolarHBondContact O-CB 3.34Å; D73-A77 PolarHBondContact O-N 2.95Å
74F97.3Very high98.2Very high41 Ų4149.1 Ų49.118%0.1823%0.229CC..Hα-helixtrans-64.8-35.7-166.1-72.3-34.7000114.4Y69 V72 M78 I101 L105Y69-F74 AromaticContact CD2-CD1 3.94Å; Y69-F74 HydrophobicContact CD2-CD1 3.94Å; Y69-F74 AromaticContact CD2-CE1 3.68Å; Y69-F74 HydrophobicContact CD2-CE1 3.68Å; Y69-F74 HydrophobicContact CE2-CD1 4.32Å; Y69-F74 AromaticContact CE2-CE1 3.69Å; Y69-F74 HydrophobicContact CE2-CE1 3.69Å; V72-F74 HydrophobicContact CG1-CD2 4.15Å; V72-F74 HydrophobicContact CG1-CE1 4.2Å; V72-F74 HydrophobicContact CG1-CE2 3.6Å; V72-F74 HydrophobicContact CG1-CZ 3.63Å; V72-F74 PolarHBondContact O-N 3.25Å; F74-M78 WeakPolarHBondContact O-CB 3.38Å; F74-M78 VanDerWaalsContact O-CG 3.32Å; F74-M78 WeakPolarHBondContact O-CG 3.42Å; F74-M78 PolarHBondContact O-N 3.32Å; F74-I101 HydrophobicContact CB-CG2 3.71Å; F74-I101 HydrophobicContact CD1-CD1 4.11Å; F74-I101 HydrophobicContact CD1-CG1 3.95Å; F74-I101 HydrophobicContact CD1-CG2 4.08Å; F74-I101 HydrophobicContact CG-CG2 3.94Å; F74-L105 HydrophobicContact CD2-CD2 4.25Å
75Y97.5Very high98.2Very high162 Ų16247.9 Ų47.964%0.63523%0.226SC*.Hα-helixtrans-69.3-47.8-179.7-68.8-75.5000110.7D73 A77 M78 E79D73-Y75 PolarHBondContact O-N 2.87Å; Y75-A77 VanDerWaalsContact C-N 3.3Å; Y75-A77 PolarHBondContact O-N 3.27Å; Y75-M78 WeakPolarHBondContact O-CB 3.42Å; Y75-M78 PolarHBondContact O-N 2.85Å; Y75-M78 VanDerWaalsContact O-N 3.14Å; Y75-E79 WeakPolarHBondContact O-CG 3.5Å; Y75-E79 PolarHBondContact O-N 3.33Å
76E98.2Very high98.1Very high86 Ų8655.1 Ų55.140%0.40226%0.26SS..Hα-helixtrans-66.2-34.3179-63.284.8166.400111.6K68 D73 D80K68-E76 HydrophobicContact CD-CB 3.74Å; K68-E76 PolarHBondContact NZ-O 3.37Å; D73-E76 HydrophobicContact CB-CB 4.42Å; D73-E76 PolarHBondContact O-N 3.41Å; E76-D80 PolarHBondContact O-N 3.18Å
77A98.7Very high98Very high0 Ų054.8 Ų54.80%026%0.262CS..Hα-helixtrans-66.7-42172.100000111.7G65 K68 D73 Y75 E79 D80 Y81 I101G65-A77 WeakPolarHBondContact O-CB 3.49Å; K68-A77 HydrophobicContact CB-CB 3.86Å; D73-A77 VanDerWaalsContact O-CB 3.28Å; D73-A77 WeakPolarHBondContact O-CB 3.34Å; D73-A77 PolarHBondContact O-N 2.95Å; Y75-A77 VanDerWaalsContact C-N 3.3Å; Y75-A77 PolarHBondContact O-N 3.27Å; A77-E79 VanDerWaalsContact C-N 3.34Å; A77-E79 PolarHBondContact O-N 3.22Å; A77-D80 PolarHBondContact O-N 3.14Å; A77-Y81 HydrophobicContact CB-CE2 4.08Å; A77-Y81 WeakPolarHBondContact O-CD2 3.49Å; A77-Y81 VanDerWaalsContact O-CG 3.3Å; A77-Y81 PolarHBondContact O-N 2.91Å; A77-I101 HydrophobicContact CB-CD1 3.58Å
78M98.5Very high98Very high37 Ų3756.5 Ų56.518%0.18227%0.271CS..Hα-helixtrans-63.2-37.3175.8-81.8-178.947.200113F74 Y75 D80 T82 R98 I101 R102 L105F74-M78 WeakPolarHBondContact O-CB 3.38Å; F74-M78 VanDerWaalsContact O-CG 3.32Å; F74-M78 WeakPolarHBondContact O-CG 3.42Å; F74-M78 PolarHBondContact O-N 3.32Å; Y75-M78 WeakPolarHBondContact O-CB 3.42Å; Y75-M78 PolarHBondContact O-N 2.85Å; Y75-M78 VanDerWaalsContact O-N 3.14Å; M78-D80 VanDerWaalsContact C-N 3.34Å; M78-T82 VanDerWaalsContact O-CB 3.25Å; M78-T82 WeakPolarHBondContact O-CB 3.43Å; M78-T82 PolarHBondContact O-N 2.91Å; M78-T82 PolarHBondContact O-OG1 3.43Å; M78-R98 HydrophobicContact CG-CG 4.31Å; M78-I101 HydrophobicContact CG-CB 4.01Å; M78-I101 HydrophobicContact CG-CD1 3.95Å; M78-I101 HydrophobicContact CG-CG2 3.67Å; M78-I101 HydrophobicContact SD-CB 4.31Å; M78-I101 HydrophobicContact SD-CG2 3.56Å; M78-I101 VanDerWaalsContact SD-CG2 3.56Å; M78-R102 HydrophobicContact CE-CG 4.47Å; M78-R102 HydrophobicContact SD-CG 4.46Å; M78-L105 HydrophobicContact SD-CD1 4.15Å
79E98.6Very high97.9Very high127 Ų12759 Ų5959%0.59329%0.29SS*.Hα-helixtrans-61.4-44174-72.4-179.2164.600111.3Y75 A77 T82 S83Y75-E79 WeakPolarHBondContact O-CG 3.5Å; Y75-E79 PolarHBondContact O-N 3.33Å; A77-E79 VanDerWaalsContact C-N 3.34Å; A77-E79 PolarHBondContact O-N 3.22Å; E79-T82 PolarHBondContact O-N 3.49Å; E79-S83 WeakPolarHBondContact O-CB 3.44Å; E79-S83 PolarHBondContact O-N 3.43Å; E79-S83 PolarHBondContact O-OG 2.89Å
80D98.8Very high97.9Very high2 Ų263 Ų631%0.01131%0.311CS..Hα-helixtrans-64.8-47.2176.7-88.7-26000112.1Y61 R64 G65 K68 E76 A77 M78 T82 S83 A84Y61-D80 WeakPolarHBondContact O-CB 3.46Å; R64-D80 WeakPolarHBondContact CG-OD2 3.39Å; R64-D80 IonicContact CZ-OD1 3.82Å; R64-D80 VanDerWaalsContact CZ-OD1 3.23Å; R64-D80 IonicContact CZ-OD2 3.14Å; R64-D80 IonicContact NE-OD1 2.87Å; R64-D80 PolarHBondContact NE-OD1 2.67Å; R64-D80 IonicContact NE-OD2 2.73Å; R64-D80 PolarHBondContact NE-OD2 3.11Å; R64-D80 IonicContact NH2-OD1 3.95Å; R64-D80 PolarHBondContact NH2-OD1 3.21Å; R64-D80 IonicContact NH2-OD2 2.77Å; G65-D80 PolarHBondContact N-OD2 3.4Å; K68-D80 VanDerWaalsContact CD-OD2 3.31Å; K68-D80 WeakPolarHBondContact CD-OD2 3.47Å; K68-D80 WeakPolarHBondContact CE-OD2 3.4Å; K68-D80 IonicContact NZ-OD1 2.93Å; K68-D80 IonicContact NZ-OD2 2.91Å; K68-D80 PolarHBondContact NZ-OD2 2.93Å; E76-D80 PolarHBondContact O-N 3.18Å; A77-D80 PolarHBondContact O-N 3.14Å; M78-D80 VanDerWaalsContact C-N 3.34Å; D80-T82 VanDerWaalsContact C-N 3.28Å; D80-T82 PolarHBondContact O-N 3.12Å; D80-S83 PolarHBondContact O-N 3.35Å; D80-A84 PolarHBondContact O-N 2.94Å
81Y98.8Very high97.9Very high2 Ų260 Ų601%0.00830%0.297CS..Hα-helixtrans-63.6-36.1176.1-60.1-41.5000112.4N62 G65 Q66 A77 A84 V85 N97 R98 I101N62-Y81 WeakPolarHBondContact O-CE1 3.3Å; G65-Y81 VanDerWaalsContact C-OH 3.32Å; G65-Y81 PolarHBondContact O-OH 3.43Å; Q66-Y81 WeakPolarHBondContact CA-OH 3.49Å; Q66-Y81 PolarHBondContact N-OH 3.49Å; A77-Y81 HydrophobicContact CB-CE2 4.08Å; A77-Y81 WeakPolarHBondContact O-CD2 3.49Å; A77-Y81 VanDerWaalsContact O-CG 3.3Å; A77-Y81 PolarHBondContact O-N 2.91Å; Y81-A84 PolarHBondContact O-N 2.96Å; Y81-V85 WeakPolarHBondContact O-CG2 3.27Å; Y81-V85 PolarHBondContact O-N 3.39Å; Y81-N97 HydrophobicContact CD1-CB 3.89Å; Y81-N97 HydrophobicContact CD2-CB 3.93Å; Y81-N97 HydrophobicContact CE1-CB 3.55Å; Y81-N97 HydrophobicContact CE2-CB 3.57Å; Y81-N97 HydrophobicContact CG-CB 4.08Å; Y81-R98 HydrophobicContact CD2-CB 4.22Å; Y81-R98 HydrophobicContact CG-CB 4.43Å; Y81-I101 HydrophobicContact CD2-CD1 4.07Å; Y81-I101 HydrophobicContact CE2-CD1 3.66Å
82T98.8Very high98Very high39 Ų3957.1 Ų57.124%0.23929%0.29CS..Hα-helixtrans-65.9-41.9175.6-62.10000111.3M78 E79 D80 A84 V85 Q86 R98M78-T82 VanDerWaalsContact O-CB 3.25Å; M78-T82 WeakPolarHBondContact O-CB 3.43Å; M78-T82 PolarHBondContact O-N 2.91Å; M78-T82 PolarHBondContact O-OG1 3.43Å; E79-T82 PolarHBondContact O-N 3.49Å; D80-T82 VanDerWaalsContact C-N 3.28Å; D80-T82 PolarHBondContact O-N 3.12Å; T82-A84 VanDerWaalsContact C-N 3.32Å; T82-A84 PolarHBondContact O-N 3.37Å; T82-V85 PolarHBondContact O-N 3.11Å; T82-Q86 WeakPolarHBondContact O-CG 3.3Å; T82-Q86 PolarHBondContact O-N 3.45Å; T82-R98 WeakPolarHBondContact OG1-CD 3.44Å; T82-R98 PolarHBondContact OG1-NH1 2.94Å; T82-R98 VanDerWaalsContact OG1-NH1 3.14Å
83S98.6Very high98Very high32 Ų3256.3 Ų56.322%0.22428%0.282CS..Hα-helixtrans-62.5-40174.3-56.90000111.5E79 D80 Q86 T87E79-S83 WeakPolarHBondContact O-CB 3.44Å; E79-S83 PolarHBondContact O-N 3.43Å; E79-S83 PolarHBondContact O-OG 2.89Å; D80-S83 PolarHBondContact O-N 3.35Å; S83-Q86 PolarHBondContact O-N 3.18Å; S83-T87 WeakPolarHBondContact O-CB 3.26Å; S83-T87 PolarHBondContact O-N 3.29Å; S83-T87 PolarHBondContact O-OG1 3.31Å
84A98.6Very high98.1Very high0 Ų053.6 Ų53.60%027%0.267CS..Hα-helixtrans-61.9-47.317500000112A58 N62 D80 Y81 T82 Q86 T87 D88 P94A58-A84 HydrophobicContact CB-CB 4.45Å; A58-A84 WeakPolarHBondContact O-CB 3.49Å; N62-A84 HydrophobicContact CB-CB 4.42Å; D80-A84 PolarHBondContact O-N 2.94Å; Y81-A84 PolarHBondContact O-N 2.96Å; T82-A84 VanDerWaalsContact C-N 3.32Å; T82-A84 PolarHBondContact O-N 3.37Å; A84-Q86 VanDerWaalsContact C-N 3.33Å; A84-Q86 PolarHBondContact O-N 2.94Å; A84-T87 PolarHBondContact O-N 3.48Å; A84-D88 PolarHBondContact O-N 3.29Å; A84-P94 HydrophobicContact CB-CB 3.79Å; A84-P94 HydrophobicContact CB-CG 3.56Å
85V98.4Very high98.1Very high19 Ų1952.3 Ų52.312%0.11526%0.262CS..Hα-helixtrans-59.9-41.1176.1164.90000112.3Y81 T82 T87 D88 C89 P94 F95Y81-V85 WeakPolarHBondContact O-CG2 3.27Å; Y81-V85 PolarHBondContact O-N 3.39Å; T82-V85 PolarHBondContact O-N 3.11Å; V85-T87 VanDerWaalsContact C-N 3.31Å; V85-D88 CarbonylContact O-C 3.46Å; V85-C89 WeakPolarHBondContact O-CA 3.43Å; V85-C89 PolarHBondContact O-N 3.49Å; V85-P94 HydrophobicContact CG2-CB 3.77Å; V85-F95 HydrophobicContact CB-CE1 4.23Å; V85-F95 HydrophobicContact CB-CZ 4.16Å; V85-F95 HydrophobicContact CG1-CD1 4.33Å; V85-F95 HydrophobicContact CG1-CE1 3.42Å; V85-F95 VanDerWaalsContact CG1-CE1 3.42Å; V85-F95 HydrophobicContact CG1-CE2 4.21Å; V85-F95 HydrophobicContact CG1-CZ 3.36Å; V85-F95 HydrophobicContact CG2-CD1 3.8Å; V85-F95 HydrophobicContact CG2-CD2 4.08Å; V85-F95 HydrophobicContact CG2-CE1 3.71Å; V85-F95 HydrophobicContact CG2-CE2 3.99Å; V85-F95 HydrophobicContact CG2-CG 3.99Å; V85-F95 HydrophobicContact CG2-CZ 3.82Å
86Q97.9Very high98.2Very high153 Ų15346.7 Ų46.772%0.71524%0.24SC*.Hα-helixtrans-69.8-30.9178.1-73.8175.1-16.400112.4T82 S83 A84T82-Q86 WeakPolarHBondContact O-CG 3.3Å; T82-Q86 PolarHBondContact O-N 3.45Å; S83-Q86 PolarHBondContact O-N 3.18Å; A84-Q86 VanDerWaalsContact C-N 3.33Å; A84-Q86 PolarHBondContact O-N 2.94Å
87T96.9Very high98.2Very high44 Ų4443.3 Ų43.327%0.2722%0.224SC..Hα-helixtrans-77-45.9179.1-57.80000111.3A54 L57 A58 S83 A84 V85A54-T87 HydrophobicContact CB-CG2 4.21Å; A54-T87 VanDerWaalsContact O-CG2 3.3Å; A54-T87 WeakPolarHBondContact O-CG2 3.29Å; L57-T87 HydrophobicContact CB-CG2 3.89Å; L57-T87 HydrophobicContact CD2-CG2 3.83Å; L57-T87 HydrophobicContact CG-CG2 3.86Å; A58-T87 HydrophobicContact CB-CG2 4.08Å; S83-T87 WeakPolarHBondContact O-CB 3.26Å; S83-T87 PolarHBondContact O-N 3.29Å; S83-T87 PolarHBondContact O-OG1 3.31Å; A84-T87 PolarHBondContact O-N 3.48Å; V85-T87 VanDerWaalsContact C-N 3.31Å
88D97.4Very high98.2Very high35 Ų3544.5 Ų44.519%0.18723%0.229CC..  trans-138.1100178-173.3-6.1000110.3A58 A84 V85 Q90 F91A58-D88 HydrophobicContact CB-CB 3.5Å; A58-D88 VanDerWaalsContact CB-CB 3.5Å; A84-D88 PolarHBondContact O-N 3.29Å; V85-D88 CarbonylContact O-C 3.46Å; D88-Q90 PolarHBondContact O-N 2.94Å; D88-Q90 WeakPolarHBondContact OD1-CB 3.41Å; D88-Q90 PolarHBondContact OD1-N 3.01Å; D88-F91 HydrophobicContact CB-CB 4.17Å; D88-F91 WeakPolarHBondContact O-CB 3.49Å; D88-F91 PolarHBondContact O-N 3.29Å
89C96.9Very high98.2Very high74 Ų7442.7 Ų42.750%0.522%0.22SC..THydrogen-bonded Turntrans-75.4-6.8179.967.60000113.6V85 L121V85-C89 WeakPolarHBondContact O-CA 3.43Å; V85-C89 PolarHBondContact O-N 3.49Å; C89-L121 WeakPolarHBondContact O-CD1 3.34Å
90Q97.3Very high98.2Very high129 Ų12938 Ų3860%0.60320%0.199SC*.THydrogen-bonded Turntrans-94.82.2175-59.6-59.2-72.900112.1D88 P92D88-Q90 PolarHBondContact O-N 2.94Å; D88-Q90 WeakPolarHBondContact OD1-CB 3.41Å; D88-Q90 PolarHBondContact OD1-N 3.01Å; Q90-P92 WeakPolarHBondContact O-CD 3.45Å
91F97.6Very high98.2Very high33 Ų3337.9 Ų37.915%0.14520%0.198CC..  trans-89.7107.5177.7-171.7-159.5000110.7A58 N62 D88 I93 P94 F95A58-F91 HydrophobicContact CB-CD1 4.01Å; N62-F91 HydrophobicContact CB-CE1 3.73Å; N62-F91 HydrophobicContact CB-CZ 4.32Å; D88-F91 HydrophobicContact CB-CB 4.17Å; D88-F91 WeakPolarHBondContact O-CB 3.49Å; D88-F91 PolarHBondContact O-N 3.29Å; F91-I93 HydrophobicContact CD2-CB 4.26Å; F91-I93 HydrophobicContact CD2-CG1 4.38Å; F91-I93 HydrophobicContact CE2-CB 3.63Å; F91-I93 HydrophobicContact CE2-CD1 3.8Å; F91-I93 HydrophobicContact CE2-CG1 3.69Å; F91-I93 HydrophobicContact CZ-CB 3.84Å; F91-I93 HydrophobicContact CZ-CD1 4.25Å; F91-I93 HydrophobicContact CZ-CG1 4.3Å; F91-I93 PolarHBondContact O-N 3.24Å; F91-P94 HydrophobicContact CB-CG 4.43Å; F91-P94 HydrophobicContact CD1-CG 3.27Å; F91-P94 HydrophobicContact CE1-CG 3.55Å; F91-P94 VanDerWaalsContact CG-CD 3.48Å; F91-P94 HydrophobicContact CG-CG 3.9Å; F91-P94 HydrophobicContact CZ-CG 4.39Å; F91-P94 WeakPolarHBondContact O-CD 3.48Å; F91-F95 VanDerWaalsContact O-CD2 3.32Å; F91-F95 WeakPolarHBondContact O-CD2 3.37Å
92P97.9Very high98.2Very high31 Ų3139.9 Ų39.920%0.20121%0.206CC..Hα-helixtrans-69.3-32.1-17522.5-34000114.5Q90 F95 Y96 L121 D122Q90-P92 WeakPolarHBondContact O-CD 3.45Å; P92-F95 WeakPolarHBondContact O-CB 3.48Å; P92-F95 PolarHBondContact O-N 3.48Å; P92-Y96 PolarHBondContact O-N 3.46Å; P92-L121 HydrophobicContact CB-CB 3.91Å; P92-L121 HydrophobicContact CB-CD1 4.39Å; P92-L121 HydrophobicContact CG-CB 4.46Å; P92-D122 HydrophobicContact CB-CB 4.24Å; P92-D122 HydrophobicContact CG-CB 4.18Å
93I98.3Very high98.2Very high79 Ų7940.8 Ų40.841%0.40521%0.205SC..Hα-helixtrans-62-44.7-169.2-59.8-173.8000112.9F91 F95 Y96 N97F91-I93 HydrophobicContact CD2-CB 4.26Å; F91-I93 HydrophobicContact CD2-CG1 4.38Å; F91-I93 HydrophobicContact CE2-CB 3.63Å; F91-I93 HydrophobicContact CE2-CD1 3.8Å; F91-I93 HydrophobicContact CE2-CG1 3.69Å; F91-I93 HydrophobicContact CZ-CB 3.84Å; F91-I93 HydrophobicContact CZ-CD1 4.25Å; F91-I93 HydrophobicContact CZ-CG1 4.3Å; F91-I93 PolarHBondContact O-N 3.24Å; I93-F95 VanDerWaalsContact C-N 3.31Å; I93-F95 PolarHBondContact O-N 3.22Å; I93-Y96 WeakPolarHBondContact O-CB 3.37Å; I93-Y96 PolarHBondContact O-N 3.44Å; I93-N97 WeakPolarHBondContact CG2-ND2 3.23Å; I93-N97 PolarHBondContact O-N 2.92Å
94P98.6Very high98.1Very high0 Ų046.4 Ų46.40%022%0.221CC..Hα-helixtrans-59.4-36.1175.9-28.235.3000114.6N62 A84 V85 F91 R98N62-P94 HydrophobicContact CB-CG 4.08Å; A84-P94 HydrophobicContact CB-CB 3.79Å; A84-P94 HydrophobicContact CB-CG 3.56Å; V85-P94 HydrophobicContact CG2-CB 3.77Å; F91-P94 HydrophobicContact CB-CG 4.43Å; F91-P94 HydrophobicContact CD1-CG 3.27Å; F91-P94 HydrophobicContact CE1-CG 3.55Å; F91-P94 VanDerWaalsContact CG-CD 3.48Å; F91-P94 HydrophobicContact CG-CG 3.9Å; F91-P94 HydrophobicContact CZ-CG 4.39Å; F91-P94 WeakPolarHBondContact O-CD 3.48Å; P94-R98 VanDerWaalsContact O-CB 3.29Å; P94-R98 WeakPolarHBondContact O-CB 3.37Å; P94-R98 PolarHBondContact O-N 3.32Å
95F98.8Very high97.9Very high15 Ų1549.1 Ų49.17%0.06624%0.236CC..Hα-helixtrans-63-50.6175-69.4-77.6000110.1V85 F91 P92 I93 N97 R98 G99 D114 Q117 A118 L121V85-F95 HydrophobicContact CB-CE1 4.23Å; V85-F95 HydrophobicContact CB-CZ 4.16Å; V85-F95 HydrophobicContact CG1-CD1 4.33Å; V85-F95 HydrophobicContact CG1-CE1 3.42Å; V85-F95 VanDerWaalsContact CG1-CE1 3.42Å; V85-F95 HydrophobicContact CG1-CE2 4.21Å; V85-F95 HydrophobicContact CG1-CZ 3.36Å; V85-F95 HydrophobicContact CG2-CD1 3.8Å; V85-F95 HydrophobicContact CG2-CD2 4.08Å; V85-F95 HydrophobicContact CG2-CE1 3.71Å; V85-F95 HydrophobicContact CG2-CE2 3.99Å; V85-F95 HydrophobicContact CG2-CG 3.99Å; V85-F95 HydrophobicContact CG2-CZ 3.82Å; F91-F95 VanDerWaalsContact O-CD2 3.32Å; F91-F95 WeakPolarHBondContact O-CD2 3.37Å; P92-F95 WeakPolarHBondContact O-CB 3.48Å; P92-F95 PolarHBondContact O-N 3.48Å; I93-F95 VanDerWaalsContact C-N 3.31Å; I93-F95 PolarHBondContact O-N 3.22Å; F95-N97 PolarHBondContact O-N 2.83Å; F95-R98 PolarHBondContact O-N 3.28Å; F95-G99 PolarHBondContact O-N 3.13Å; F95-D114 WeakPolarHBondContact O-CB 3.23Å; F95-Q117 HydrophobicContact CD1-CB 3.85Å; F95-Q117 HydrophobicContact CD1-CG 3.56Å; F95-Q117 HydrophobicContact CD2-CG 3.99Å; F95-Q117 HydrophobicContact CE1-CB 4.13Å; F95-Q117 HydrophobicContact CE1-CG 3.38Å; F95-Q117 HydrophobicContact CE2-CG 3.82Å; F95-Q117 HydrophobicContact CG-CB 4.14Å; F95-Q117 HydrophobicContact CG-CG 3.85Å; F95-Q117 HydrophobicContact CZ-CG 3.5Å; F95-Q117 VanDerWaalsContact CZ-CG 3.5Å; F95-A118 HydrophobicContact CB-CB 4.03Å; F95-L121 HydrophobicContact CD2-CD1 3.83Å; F95-L121 HydrophobicContact CE2-CD1 3.65Å
96Y98.7Very high97.8Very high44 Ų4449.2 Ų49.217%0.17324%0.24CC..Hα-helixtrans-55.7-49.4176.4171.6-104.8000112P92 I93 R98 G99 L100 F115 D127 A128 S131P92-Y96 PolarHBondContact O-N 3.46Å; I93-Y96 WeakPolarHBondContact O-CB 3.37Å; I93-Y96 PolarHBondContact O-N 3.44Å; Y96-R98 PolarHBondContact O-N 3.42Å; Y96-G99 PolarHBondContact O-N 3.06Å; Y96-L100 HydrophobicContact CD1-CD1 4.23Å; Y96-L100 HydrophobicContact CE1-CD1 3.52Å; Y96-L100 HydrophobicContact CE1-CG 4.13Å; Y96-L100 HydrophobicContact CE2-CD1 4.35Å; Y96-L100 HydrophobicContact CE2-CD2 4.18Å; Y96-L100 HydrophobicContact CE2-CG 4.14Å; Y96-L100 PolarHBondContact O-N 3Å; Y96-F115 AromaticContact CD2-CD1 3.84Å; Y96-F115 HydrophobicContact CD2-CD1 3.84Å; Y96-F115 AromaticContact CD2-CE1 3.72Å; Y96-F115 HydrophobicContact CD2-CE1 3.72Å; Y96-F115 HydrophobicContact CE2-CD1 4.41Å; Y96-F115 AromaticContact CE2-CE1 4Å; Y96-F115 HydrophobicContact CE2-CE1 4Å; Y96-F115 WeakPolarHBondContact O-CE1 2.85Å; Y96-D127 HydrophobicContact CE2-CB 3.93Å; Y96-A128 HydrophobicContact CD2-CB 3.92Å; Y96-A128 HydrophobicContact CE2-CB 4.48Å; Y96-S131 WeakPolarHBondContact CE2-OG 3.4Å
97N98.6Very high97.8Very high14 Ų1446.6 Ų46.68%0.07523%0.227CC..Hα-helixtrans-64.6-39.7-178.2-72.7-21.7000113.1N62 Y81 I93 F95 L100 I101N62-N97 PolarHBondContact OD1-ND2 2.84Å; Y81-N97 HydrophobicContact CD1-CB 3.89Å; Y81-N97 HydrophobicContact CD2-CB 3.93Å; Y81-N97 HydrophobicContact CE1-CB 3.55Å; Y81-N97 HydrophobicContact CE2-CB 3.57Å; Y81-N97 HydrophobicContact CG-CB 4.08Å; I93-N97 WeakPolarHBondContact CG2-ND2 3.23Å; I93-N97 PolarHBondContact O-N 2.92Å; F95-N97 PolarHBondContact O-N 2.83Å; N97-L100 PolarHBondContact O-N 3.39Å; N97-I101 PolarHBondContact O-N 3.45Å
98R98.7Very high97.8Very high25 Ų2545.9 Ų45.99%0.09422%0.22CC..Hα-helixtrans-67.2-39.3174.4-168.2174.966.4-170.2-5111.6M78 Y81 T82 P94 F95 Y96 L100 I101 R102 D114M78-R98 HydrophobicContact CG-CG 4.31Å; Y81-R98 HydrophobicContact CD2-CB 4.22Å; Y81-R98 HydrophobicContact CG-CB 4.43Å; T82-R98 WeakPolarHBondContact OG1-CD 3.44Å; T82-R98 PolarHBondContact OG1-NH1 2.94Å; T82-R98 VanDerWaalsContact OG1-NH1 3.14Å; P94-R98 VanDerWaalsContact O-CB 3.29Å; P94-R98 WeakPolarHBondContact O-CB 3.37Å; P94-R98 PolarHBondContact O-N 3.32Å; F95-R98 PolarHBondContact O-N 3.28Å; Y96-R98 PolarHBondContact O-N 3.42Å; R98-L100 VanDerWaalsContact C-N 3.33Å; R98-L100 PolarHBondContact O-N 3.29Å; R98-I101 PolarHBondContact O-N 3.49Å; R98-R102 WeakPolarHBondContact O-CG 3.3Å; R98-R102 PolarHBondContact O-N 3.1Å; R98-D114 WeakPolarHBondContact CB-OD2 3.38Å; R98-D114 WeakPolarHBondContact CG-OD2 3.39Å; R98-D114 IonicContact CZ-OD1 3.59Å; R98-D114 IonicContact CZ-OD2 3.44Å; R98-D114 IonicContact NE-OD1 2.69Å; R98-D114 PolarHBondContact NE-OD1 2.87Å; R98-D114 IonicContact NE-OD2 3.81Å; R98-D114 PolarHBondContact NE-OD2 3.38Å; R98-D114 IonicContact NH2-OD1 3.41Å; R98-D114 PolarHBondContact NH2-OD1 3.29Å; R98-D114 IonicContact NH2-OD2 3.79Å
99G98.6Very high97.8Very high0 Ų048.9 Ų48.90%023%0.233CC..Hα-helixtrans-59.2-41.8174.600000112.3F95 Y96 I101 R102 Y103 A111 D114F95-G99 PolarHBondContact O-N 3.13Å; Y96-G99 PolarHBondContact O-N 3.06Å; G99-I101 VanDerWaalsContact C-N 3.35Å; G99-I101 PolarHBondContact O-N 2.94Å; G99-R102 PolarHBondContact O-N 2.79Å; G99-Y103 VanDerWaalsContact O-CB 3.32Å; G99-Y103 WeakPolarHBondContact O-CB 3.35Å; G99-Y103 PolarHBondContact O-N 3.33Å; G99-A111 WeakPolarHBondContact O-CB 3.33Å; G99-D114 PolarHBondContact N-OD2 3.45Å
100L98.6Very high97.9Very high27 Ų2749 Ų4914%0.14123%0.229CC..Hα-helixtrans-59.3-43175.2-75.1179.8000112.6Y96 N97 R98 R104 F115Y96-L100 HydrophobicContact CD1-CD1 4.23Å; Y96-L100 HydrophobicContact CE1-CD1 3.52Å; Y96-L100 HydrophobicContact CE1-CG 4.13Å; Y96-L100 HydrophobicContact CE2-CD1 4.35Å; Y96-L100 HydrophobicContact CE2-CD2 4.18Å; Y96-L100 HydrophobicContact CE2-CG 4.14Å; Y96-L100 PolarHBondContact O-N 3Å; N97-L100 PolarHBondContact O-N 3.39Å; R98-L100 VanDerWaalsContact C-N 3.33Å; R98-L100 PolarHBondContact O-N 3.29Å; L100-R104 VanDerWaalsContact O-CG 3.32Å; L100-R104 WeakPolarHBondContact O-CG 3.06Å; L100-R104 PolarHBondContact O-N 3.42Å; L100-R104 VanDerWaalsContact O-N 3.07Å; L100-F115 HydrophobicContact CD2-CE1 4.26Å; L100-F115 HydrophobicContact CD2-CZ 4.07Å; L100-F115 HydrophobicContact CG-CE1 4.25Å; L100-F115 HydrophobicContact CG-CZ 4.36Å
101I98.6Very high98Very high0 Ų042.9 Ų42.90%020%0.2CC..Hα-helixtrans-66.6-48.6177.2-64.3178.1000110.2Y69 F74 A77 M78 Y81 N97 R98 G99 Y103 R104 L105Y69-I101 HydrophobicContact CD2-CD1 3.86Å; Y69-I101 HydrophobicContact CD2-CG1 3.59Å; Y69-I101 HydrophobicContact CE2-CG1 3.88Å; F74-I101 HydrophobicContact CB-CG2 3.71Å; F74-I101 HydrophobicContact CD1-CD1 4.11Å; F74-I101 HydrophobicContact CD1-CG1 3.95Å; F74-I101 HydrophobicContact CD1-CG2 4.08Å; F74-I101 HydrophobicContact CG-CG2 3.94Å; A77-I101 HydrophobicContact CB-CD1 3.58Å; M78-I101 HydrophobicContact CG-CB 4.01Å; M78-I101 HydrophobicContact CG-CD1 3.95Å; M78-I101 HydrophobicContact CG-CG2 3.67Å; M78-I101 HydrophobicContact SD-CB 4.31Å; M78-I101 HydrophobicContact SD-CG2 3.56Å; M78-I101 VanDerWaalsContact SD-CG2 3.56Å; Y81-I101 HydrophobicContact CD2-CD1 4.07Å; Y81-I101 HydrophobicContact CE2-CD1 3.66Å; N97-I101 PolarHBondContact O-N 3.45Å; R98-I101 PolarHBondContact O-N 3.49Å; G99-I101 VanDerWaalsContact C-N 3.35Å; G99-I101 PolarHBondContact O-N 2.94Å; I101-Y103 VanDerWaalsContact C-N 3.26Å; I101-Y103 PolarHBondContact O-N 3.48Å; I101-R104 WeakPolarHBondContact O-CB 3.17Å; I101-R104 PolarHBondContact O-N 3.22Å; I101-L105 HydrophobicContact CG2-CD1 3.81Å; I101-L105 HydrophobicContact CG2-CG 4.22Å; I101-L105 WeakPolarHBondContact O-CG 3.49Å; I101-L105 PolarHBondContact O-N 3.01Å
102R98.6Very high98Very high44 Ų4443.3 Ų43.317%0.16620%0.202CC..Hα-helixtrans-56.9-41.4178.7-77.1164.6162.7-167.2-10.6111.9M78 R98 G99 L105 G106 F107 D110 A111 D114M78-R102 HydrophobicContact CE-CG 4.47Å; M78-R102 HydrophobicContact SD-CG 4.46Å; R98-R102 WeakPolarHBondContact O-CG 3.3Å; R98-R102 PolarHBondContact O-N 3.1Å; G99-R102 PolarHBondContact O-N 2.79Å; R102-L105 CarbonylContact O-C 3.36Å; R102-L105 PolarHBondContact O-N 2.73Å; R102-G106 PolarHBondContact O-N 3.4Å; R102-G106 VanDerWaalsContact O-N 3.16Å; R102-F107 HydrophobicContact CB-CB 4.17Å; R102-F107 WeakPolarHBondContact O-CA 3.46Å; R102-F107 WeakPolarHBondContact O-CB 2.9Å; R102-F107 PolarHBondContact O-N 3.49Å; R102-D110 HydrophobicContact CB-CB 4.44Å; R102-D110 HydrophobicContact CG-CB 4.21Å; R102-A111 HydrophobicContact CB-CB 3.88Å; R102-D114 WeakPolarHBondContact CD-OD2 3.46Å; R102-D114 IonicContact CZ-OD2 2.66Å; R102-D114 IonicContact NE-OD2 2.95Å; R102-D114 IonicContact NH1-OD1 3.95Å; R102-D114 PolarHBondContact NH1-OD1 3.32Å; R102-D114 IonicContact NH1-OD2 3.06Å; R102-D114 PolarHBondContact NH1-OD2 2.64Å
103Y98.4Very high98Very high59 Ų5945 Ų4523%0.23122%0.215CC..Hα-helixtrans-59.7-49.4173.5169.1-95.4000111.5G99 I101 L105 G106 F108 Q134 T135 D138G99-Y103 VanDerWaalsContact O-CB 3.32Å; G99-Y103 WeakPolarHBondContact O-CB 3.35Å; G99-Y103 PolarHBondContact O-N 3.33Å; I101-Y103 VanDerWaalsContact C-N 3.26Å; I101-Y103 PolarHBondContact O-N 3.48Å; Y103-L105 PolarHBondContact O-N 3.14Å; Y103-G106 PolarHBondContact O-N 3.2Å; Y103-F108 AromaticContact CD2-CD1 3.93Å; Y103-F108 HydrophobicContact CD2-CD1 3.93Å; Y103-F108 AromaticContact CD2-CE1 3.82Å; Y103-F108 HydrophobicContact CD2-CE1 3.82Å; Y103-F108 HydrophobicContact CE2-CD1 4.4Å; Y103-F108 AromaticContact CE2-CE1 3.96Å; Y103-F108 HydrophobicContact CE2-CE1 3.96Å; Y103-Q134 HydrophobicContact CE2-CG 4.16Å; Y103-Q134 WeakPolarHBondContact OH-CG 3.4Å; Y103-T135 HydrophobicContact CD2-CG2 4.3Å; Y103-T135 VanDerWaalsContact CD2-OG1 3.26Å; Y103-T135 WeakPolarHBondContact CD2-OG1 3.3Å; Y103-D138 HydrophobicContact CE2-CB 4.3Å; Y103-D138 PolarHBondContact OH-OD2 3.34Å
104R96.4Very high98.1Very high149 Ų14941.4 Ų41.456%0.56220%0.196SC*.Hα-helixtrans-60.6-31.8177.8-72.9175.4-174.9-76.5-5.6113.2Y69 L100 I101 G106Y69-R104 VanDerWaalsContact OH-CZ 3.26Å; Y69-R104 PolarHBondContact OH-NE 3.48Å; Y69-R104 PolarHBondContact OH-NH2 2.87Å; L100-R104 VanDerWaalsContact O-CG 3.32Å; L100-R104 WeakPolarHBondContact O-CG 3.06Å; L100-R104 PolarHBondContact O-N 3.42Å; L100-R104 VanDerWaalsContact O-N 3.07Å; I101-R104 WeakPolarHBondContact O-CB 3.17Å; I101-R104 PolarHBondContact O-N 3.22Å; R104-G106 VanDerWaalsContact C-N 3.28Å
105L95.8Very high98.1Very high57 Ų5741.4 Ų41.430%0.29820%0.196SC..THydrogen-bonded Turntrans-83.6-1.8176.6-62.9177.7000113.2F74 M78 I101 R102 Y103 F107F74-L105 HydrophobicContact CD2-CD2 4.25Å; M78-L105 HydrophobicContact SD-CD1 4.15Å; I101-L105 HydrophobicContact CG2-CD1 3.81Å; I101-L105 HydrophobicContact CG2-CG 4.22Å; I101-L105 WeakPolarHBondContact O-CG 3.49Å; I101-L105 PolarHBondContact O-N 3.01Å; R102-L105 CarbonylContact O-C 3.36Å; R102-L105 PolarHBondContact O-N 2.73Å; Y103-L105 PolarHBondContact O-N 3.14Å; L105-F107 VanDerWaalsContact C-N 3.31Å; L105-F107 HydrophobicContact CB-CD2 3.63Å; L105-F107 HydrophobicContact CB-CE2 3.63Å; L105-F107 HydrophobicContact CB-CG 4.39Å; L105-F107 HydrophobicContact CB-CZ 4.38Å; L105-F107 HydrophobicContact CD1-CD2 4.2Å; L105-F107 HydrophobicContact CD1-CE2 3.82Å; L105-F107 HydrophobicContact CG-CE2 4.37Å
106G95.4Very high98.1Very high21 Ų2145.1 Ų45.122%0.21621%0.214CC..THydrogen-bonded Turntrans78.611.818000000114.6R102 Y103 R104 F108R102-G106 PolarHBondContact O-N 3.4Å; R102-G106 VanDerWaalsContact O-N 3.16Å; Y103-G106 PolarHBondContact O-N 3.2Å; R104-G106 VanDerWaalsContact C-N 3.28Å; G106-F108 PolarHBondContact O-N 2.88Å
107F97.2Very high98.1Very high99 Ų9945.8 Ų45.843%0.43422%0.219SC..  trans-82.665.3172.9-54.9-45.1000110.1R102 L105 E109 D110 A111R102-F107 HydrophobicContact CB-CB 4.17Å; R102-F107 WeakPolarHBondContact O-CA 3.46Å; R102-F107 WeakPolarHBondContact O-CB 2.9Å; R102-F107 PolarHBondContact O-N 3.49Å; L105-F107 VanDerWaalsContact C-N 3.31Å; L105-F107 HydrophobicContact CB-CD2 3.63Å; L105-F107 HydrophobicContact CB-CE2 3.63Å; L105-F107 HydrophobicContact CB-CG 4.39Å; L105-F107 HydrophobicContact CB-CZ 4.38Å; L105-F107 HydrophobicContact CD1-CD2 4.2Å; L105-F107 HydrophobicContact CD1-CE2 3.82Å; L105-F107 HydrophobicContact CG-CE2 4.37Å; F107-E109 PolarHBondContact O-N 3.35Å; F107-D110 HydrophobicContact CB-CB 4.32Å; F107-D110 PolarHBondContact O-N 3.32Å; F107-A111 WeakPolarHBondContact O-CB 3.27Å; F107-A111 PolarHBondContact O-N 3.31Å
108F97.6Very high98.1Very high28 Ų2845.2 Ų45.212%0.12322%0.216CC..Hα-helixtrans-63.6-35.8-170.5-61.5-44.6000114.2Y103 G106 A111 K112 T135 D138 Q139 K142Y103-F108 AromaticContact CD2-CD1 3.93Å; Y103-F108 HydrophobicContact CD2-CD1 3.93Å; Y103-F108 AromaticContact CD2-CE1 3.82Å; Y103-F108 HydrophobicContact CD2-CE1 3.82Å; Y103-F108 HydrophobicContact CE2-CD1 4.4Å; Y103-F108 AromaticContact CE2-CE1 3.96Å; Y103-F108 HydrophobicContact CE2-CE1 3.96Å; G106-F108 PolarHBondContact O-N 2.88Å; F108-A111 PolarHBondContact O-N 3.38Å; F108-K112 VanDerWaalsContact O-CB 3.28Å; F108-K112 WeakPolarHBondContact O-CB 3.38Å; F108-K112 PolarHBondContact O-N 2.87Å; F108-T135 HydrophobicContact CB-CG2 3.97Å; F108-T135 HydrophobicContact CD1-CG2 4.15Å; F108-T135 HydrophobicContact CG-CG2 4.45Å; F108-T135 WeakPolarHBondContact O-CG2 3.42Å; F108-D138 HydrophobicContact CE1-CB 4.09Å; F108-D138 HydrophobicContact CE2-CB 4.39Å; F108-D138 HydrophobicContact CZ-CB 3.84Å; F108-Q139 HydrophobicContact CB-CB 3.95Å; F108-Q139 HydrophobicContact CB-CG 4.17Å; F108-Q139 HydrophobicContact CD2-CB 3.87Å; F108-Q139 HydrophobicContact CD2-CG 4.26Å; F108-Q139 HydrophobicContact CG-CB 4.09Å; F108-K142 HydrophobicContact CD2-CD 4.06Å; F108-K142 HydrophobicContact CE2-CB 4.13Å; F108-K142 HydrophobicContact CE2-CD 3.68Å
109E98.1Very high98.1Very high98 Ų9845.5 Ų45.546%0.45822%0.219SC..Hα-helixtrans-64.1-45.6176.5-76.5-62.6145.600112F107 K112 S113 Q139F107-E109 PolarHBondContact O-N 3.35Å; E109-K112 PolarHBondContact O-N 3.31Å; E109-K112 IonicContact OE1-NZ 2.64Å; E109-K112 PolarHBondContact OE1-NZ 3.45Å; E109-K112 VanDerWaalsContact OE2-CE 3.23Å; E109-K112 WeakPolarHBondContact OE2-CE 3.44Å; E109-K112 IonicContact OE2-NZ 3.23Å; E109-K112 PolarHBondContact OE2-NZ 2.89Å; E109-S113 PolarHBondContact O-N 2.95Å; E109-Q139 PolarHBondContact OE1-NE2 2.95Å
110D98.3Very high98Very high77 Ų7751.9 Ų51.941%0.41225%0.25SS..Hα-helixtrans-68.2-38.5178.1-63.6-50.3000111.7R102 F107 S113 D114R102-D110 HydrophobicContact CB-CB 4.44Å; R102-D110 HydrophobicContact CG-CB 4.21Å; F107-D110 HydrophobicContact CB-CB 4.32Å; F107-D110 PolarHBondContact O-N 3.32Å; D110-S113 PolarHBondContact O-N 3.03Å; D110-D114 PolarHBondContact O-N 2.9Å
111A98.7Very high98Very high0 Ų052.9 Ų52.90%026%0.255CS..Hα-helixtrans-62.7-45.5175.100000111.7G99 R102 F107 F108 S113 D114 F115 T135G99-A111 WeakPolarHBondContact O-CB 3.33Å; R102-A111 HydrophobicContact CB-CB 3.88Å; F107-A111 WeakPolarHBondContact O-CB 3.27Å; F107-A111 PolarHBondContact O-N 3.31Å; F108-A111 PolarHBondContact O-N 3.38Å; A111-S113 VanDerWaalsContact C-N 3.33Å; A111-S113 PolarHBondContact O-N 3.14Å; A111-D114 PolarHBondContact O-N 3.37Å; A111-F115 HydrophobicContact CB-CD2 4.46Å; A111-F115 HydrophobicContact CB-CE2 4.02Å; A111-F115 WeakPolarHBondContact O-CD2 3.46Å; A111-F115 WeakPolarHBondContact O-CG 3.46Å; A111-F115 PolarHBondContact O-N 2.94Å; A111-T135 HydrophobicContact CB-CG2 4.12Å
112K98.6Very high97.9Very high43 Ų4355.9 Ų55.919%0.18727%0.272CS..Hα-helixtrans-56.3-47.9175.1179.7-177.370.4-164.90111F108 E109 D114 F115 Q116 L132 T135 L136F108-K112 VanDerWaalsContact O-CB 3.28Å; F108-K112 WeakPolarHBondContact O-CB 3.38Å; F108-K112 PolarHBondContact O-N 2.87Å; E109-K112 PolarHBondContact O-N 3.31Å; E109-K112 IonicContact OE1-NZ 2.64Å; E109-K112 PolarHBondContact OE1-NZ 3.45Å; E109-K112 VanDerWaalsContact OE2-CE 3.23Å; E109-K112 WeakPolarHBondContact OE2-CE 3.44Å; E109-K112 IonicContact OE2-NZ 3.23Å; E109-K112 PolarHBondContact OE2-NZ 2.89Å; K112-D114 VanDerWaalsContact C-N 3.34Å; K112-D114 PolarHBondContact O-N 3.16Å; K112-F115 PolarHBondContact O-N 3.3Å; K112-Q116 WeakPolarHBondContact O-CB 3.23Å; K112-Q116 VanDerWaalsContact O-CG 3.24Å; K112-Q116 WeakPolarHBondContact O-CG 3.42Å; K112-Q116 PolarHBondContact O-N 2.86Å; K112-L132 HydrophobicContact CB-CD1 4.25Å; K112-L132 HydrophobicContact CG-CD1 3.65Å; K112-T135 HydrophobicContact CB-CG2 4.35Å; K112-L136 HydrophobicContact CD-CD2 3.71Å; K112-L136 HydrophobicContact CG-CD2 4.36Å
113S98.6Very high97.9Very high67 Ų6756.7 Ų56.747%0.46929%0.287SS..Hα-helixtrans-59.8-44.4178.6-1790000111.9E109 D110 A111 Q116 Q117E109-S113 PolarHBondContact O-N 2.95Å; D110-S113 PolarHBondContact O-N 3.03Å; A111-S113 VanDerWaalsContact C-N 3.33Å; A111-S113 PolarHBondContact O-N 3.14Å; S113-Q116 PolarHBondContact O-N 2Å; S113-Q117 WeakPolarHBondContact O-CB 2.79Å; S113-Q117 PolarHBondContact O-N 2.93Å
114D98.8Very high97.7Very high3 Ų360 Ų602%0.01631%0.309CS..Hα-helixtrans-64.4-45.6177.5-87.4-14.3000112.5F95 R98 G99 R102 D110 A111 K112 Q116 Q117 A118F95-D114 WeakPolarHBondContact O-CB 3.23Å; R98-D114 WeakPolarHBondContact CB-OD2 3.38Å; R98-D114 WeakPolarHBondContact CG-OD2 3.39Å; R98-D114 IonicContact CZ-OD1 3.59Å; R98-D114 IonicContact CZ-OD2 3.44Å; R98-D114 IonicContact NE-OD1 2.69Å; R98-D114 PolarHBondContact NE-OD1 2.87Å; R98-D114 IonicContact NE-OD2 3.81Å; R98-D114 PolarHBondContact NE-OD2 3.38Å; R98-D114 IonicContact NH2-OD1 3.41Å; R98-D114 PolarHBondContact NH2-OD1 3.29Å; R98-D114 IonicContact NH2-OD2 3.79Å; G99-D114 PolarHBondContact N-OD2 3.45Å; R102-D114 WeakPolarHBondContact CD-OD2 3.46Å; R102-D114 IonicContact CZ-OD2 2.66Å; R102-D114 IonicContact NE-OD2 2.95Å; R102-D114 IonicContact NH1-OD1 3.95Å; R102-D114 PolarHBondContact NH1-OD1 3.32Å; R102-D114 IonicContact NH1-OD2 3.06Å; R102-D114 PolarHBondContact NH1-OD2 2.64Å; D110-D114 PolarHBondContact O-N 2.9Å; A111-D114 PolarHBondContact O-N 3.37Å; K112-D114 VanDerWaalsContact C-N 3.34Å; K112-D114 PolarHBondContact O-N 3.16Å; D114-Q116 VanDerWaalsContact C-N 3.34Å; D114-Q116 PolarHBondContact O-N 3.19Å; D114-Q117 PolarHBondContact O-N 3.46Å; D114-A118 PolarHBondContact O-N 3.04Å
115F98.8Very high97.6Very high0 Ų054.2 Ų54.20%029%0.292CS..Hα-helixtrans-65.2-38.1177.6-63.4-45.1000112.4Y96 L100 A111 K112 Q117 A118 L119 S131 L132 T135Y96-F115 AromaticContact CD2-CD1 3.84Å; Y96-F115 HydrophobicContact CD2-CD1 3.84Å; Y96-F115 AromaticContact CD2-CE1 3.72Å; Y96-F115 HydrophobicContact CD2-CE1 3.72Å; Y96-F115 HydrophobicContact CE2-CD1 4.41Å; Y96-F115 AromaticContact CE2-CE1 4Å; Y96-F115 HydrophobicContact CE2-CE1 4Å; Y96-F115 WeakPolarHBondContact O-CE1 2.85Å; L100-F115 HydrophobicContact CD2-CE1 4.26Å; L100-F115 HydrophobicContact CD2-CZ 4.07Å; L100-F115 HydrophobicContact CG-CE1 4.25Å; L100-F115 HydrophobicContact CG-CZ 4.36Å; A111-F115 HydrophobicContact CB-CD2 4.46Å; A111-F115 HydrophobicContact CB-CE2 4.02Å; A111-F115 WeakPolarHBondContact O-CD2 3.46Å; A111-F115 WeakPolarHBondContact O-CG 3.46Å; A111-F115 PolarHBondContact O-N 2.94Å; K112-F115 PolarHBondContact O-N 3.3Å; F115-Q117 VanDerWaalsContact C-N 3.35Å; F115-A118 PolarHBondContact O-N 2.92Å; F115-L119 VanDerWaalsContact O-CG 3.3Å; F115-L119 WeakPolarHBondContact O-CG 3.12Å; F115-L119 PolarHBondContact O-N 2.94Å; F115-S131 VanDerWaalsContact CZ-CB 3.46Å; F115-L132 HydrophobicContact CB-CB 3.94Å; F115-L132 HydrophobicContact CB-CD1 4.37Å; F115-L132 HydrophobicContact CD2-CB 4.49Å; F115-T135 VanDerWaalsContact CE2-OG1 3.31Å; F115-T135 WeakPolarHBondContact CE2-OG1 3.49Å
116Q98.6Very high97.7Very high92 Ų9258.4 Ų58.443%0.4331%0.309SS..Hα-helixtrans-62.8-42.1173.9-74.8175-2800111.6K112 S113 D114 L119 M120 L132K112-Q116 WeakPolarHBondContact O-CB 3.23Å; K112-Q116 VanDerWaalsContact O-CG 3.24Å; K112-Q116 WeakPolarHBondContact O-CG 3.42Å; K112-Q116 PolarHBondContact O-N 2.86Å; S113-Q116 PolarHBondContact O-N 2Å; D114-Q116 VanDerWaalsContact C-N 3.34Å; D114-Q116 PolarHBondContact O-N 3.19Å; Q116-L119 PolarHBondContact O-N 2.77Å; Q116-M120 WeakPolarHBondContact O-CG 3.16Å; Q116-M120 PolarHBondContact O-N 3.33Å; Q116-L132 HydrophobicContact CG-CD1 4.18Å; Q116-L132 HydrophobicContact CG-CD2 3.99Å
117Q98.6Very high97.7Very high59 Ų5961.7 Ų61.728%0.27632%0.322SS..Hα-helixtrans-64.8-41.4176.6-172.359.856.300112F95 S113 D114 F115 L119 M120 L121F95-Q117 HydrophobicContact CD1-CB 3.85Å; F95-Q117 HydrophobicContact CD1-CG 3.56Å; F95-Q117 HydrophobicContact CD2-CG 3.99Å; F95-Q117 HydrophobicContact CE1-CB 4.13Å; F95-Q117 HydrophobicContact CE1-CG 3.38Å; F95-Q117 HydrophobicContact CE2-CG 3.82Å; F95-Q117 HydrophobicContact CG-CB 4.14Å; F95-Q117 HydrophobicContact CG-CG 3.85Å; F95-Q117 HydrophobicContact CZ-CG 3.5Å; F95-Q117 VanDerWaalsContact CZ-CG 3.5Å; S113-Q117 WeakPolarHBondContact O-CB 2.79Å; S113-Q117 PolarHBondContact O-N 2.93Å; D114-Q117 PolarHBondContact O-N 3.46Å; F115-Q117 VanDerWaalsContact C-N 3.35Å; Q117-L119 VanDerWaalsContact C-N 3.31Å; Q117-L119 PolarHBondContact O-N 3.34Å; Q117-M120 HydrophobicContact CB-CE 4.32Å; Q117-M120 PolarHBondContact O-N 2.83Å; Q117-L121 WeakPolarHBondContact O-CG 3.31Å; Q117-L121 PolarHBondContact O-N 3.07Å
118A98.5Very high97.7Very high2 Ų257 Ų572%0.01730%0.301CS..Hα-helixtrans-58.4-43.2172.800000111.6F95 D114 F115 L121 D122 A128F95-A118 HydrophobicContact CB-CB 4.03Å; D114-A118 PolarHBondContact O-N 3.04Å; F115-A118 PolarHBondContact O-N 2.92Å; A118-L121 PolarHBondContact O-N 2.95Å; A118-D122 PolarHBondContact O-N 3.4Å; A118-A128 HydrophobicContact CB-CB 4.31Å
119L98.5Very high97.8Very high31 Ų3160.2 Ų60.216%0.16232%0.315CS..Hα-helixtrans-72.2-27.2179-70.5170000114.3F115 Q116 Q117 L121 D122 A123 C125 A128 K129 L132F115-L119 VanDerWaalsContact O-CG 3.3Å; F115-L119 WeakPolarHBondContact O-CG 3.12Å; F115-L119 PolarHBondContact O-N 2.94Å; Q116-L119 PolarHBondContact O-N 2.77Å; Q117-L119 VanDerWaalsContact C-N 3.31Å; Q117-L119 PolarHBondContact O-N 3.34Å; L119-L121 VanDerWaalsContact C-N 3.29Å; L119-D122 CarbonylContact O-C 3.57Å; L119-A123 WeakPolarHBondContact O-CA 3.36Å; L119-A123 PolarHBondContact O-N 3.43Å; L119-A123 VanDerWaalsContact O-N 3.13Å; L119-C125 HydrophobicContact CD2-CB 4.37Å; L119-C125 WeakPolarHBondContact CD2-O 3.49Å; L119-A128 HydrophobicContact CD2-CB 3.78Å; L119-A128 HydrophobicContact CG-CB 3.86Å; L119-K129 HydrophobicContact CD1-CG 4.18Å; L119-K129 HydrophobicContact CD2-CG 3.53Å; L119-L132 HydrophobicContact CD1-CD2 3.74Å
120M98.4Very high97.8Very high133 Ų13360.6 Ų60.666%0.65532%0.318SS*.Hα-helixtrans-68.2-33.1171.9-75.3-169.5-66.300111.7Q116 Q117Q116-M120 WeakPolarHBondContact O-CG 3.16Å; Q116-M120 PolarHBondContact O-N 3.33Å; Q117-M120 HydrophobicContact CB-CE 4.32Å; Q117-M120 PolarHBondContact O-N 2.83Å
121L97.8Very high97.8Very high48 Ų4857.9 Ų57.925%0.25131%0.305SS..Hα-helixtrans-84.5-38.9178.9-66.5171000112.2C89 P92 F95 Q117 A118 L119C89-L121 WeakPolarHBondContact O-CD1 3.34Å; P92-L121 HydrophobicContact CB-CB 3.91Å; P92-L121 HydrophobicContact CB-CD1 4.39Å; P92-L121 HydrophobicContact CG-CB 4.46Å; F95-L121 HydrophobicContact CD2-CD1 3.83Å; F95-L121 HydrophobicContact CE2-CD1 3.65Å; Q117-L121 WeakPolarHBondContact O-CG 3.31Å; Q117-L121 PolarHBondContact O-N 3.07Å; A118-L121 PolarHBondContact O-N 2.95Å; L119-L121 VanDerWaalsContact C-N 3.29Å
122D97.4Very high97.8Very high64 Ų6459.1 Ų59.134%0.34231%0.312SS..  trans-134.292.1173.6178.710.8000110.7P92 A118 L119 N124 C125P92-D122 HydrophobicContact CB-CB 4.24Å; P92-D122 HydrophobicContact CG-CB 4.18Å; A118-D122 PolarHBondContact O-N 3.4Å; L119-D122 CarbonylContact O-C 3.57Å; D122-N124 PolarHBondContact O-N 3.01Å; D122-N124 VanDerWaalsContact O-N 3.1Å; D122-N124 PolarHBondContact OD1-N 3.1Å; D122-C125 HydrophobicContact CB-CB 4.37Å; D122-C125 WeakPolarHBondContact O-CB 3.07Å; D122-C125 PolarHBondContact O-N 3.32Å; D122-C125 PolarHBondContact OD1-N 3.43Å
123A96.7Very high97.8Very high60 Ų6063 Ų6350%0.49633%0.331SS..THydrogen-bonded Turntrans-66.1-11.5-179.400000113.8L119 K129L119-A123 WeakPolarHBondContact O-CA 3.36Å; L119-A123 PolarHBondContact O-N 3.43Å; L119-A123 VanDerWaalsContact O-N 3.13Å; A123-K129 WeakPolarHBondContact O-CE 3.44Å; A123-K129 PolarHBondContact O-NZ 3.28Å
124N95.6Very high97.8Very high128 Ų12863.9 Ų63.968%0.68433%0.328SS*.THydrogen-bonded Turntrans-99.7-1.1-179.2-65.8-35.7000113.1D122 E126D122-N124 PolarHBondContact O-N 3.01Å; D122-N124 VanDerWaalsContact O-N 3.1Å; D122-N124 PolarHBondContact OD1-N 3.1Å; N124-E126 PolarHBondContact O-N 2.96Å
125C94.6Very high97.7Very high29 Ų2963.8 Ų63.820%0.19633%0.327CS..  trans-65.195.7176.1-174.20000111.3L119 D122 D127 A128 K129L119-C125 HydrophobicContact CD2-CB 4.37Å; L119-C125 WeakPolarHBondContact CD2-O 3.49Å; D122-C125 HydrophobicContact CB-CB 4.37Å; D122-C125 WeakPolarHBondContact O-CB 3.07Å; D122-C125 PolarHBondContact O-N 3.32Å; D122-C125 PolarHBondContact OD1-N 3.43Å; C125-D127 VanDerWaalsContact C-N 3.3Å; C125-D127 PolarHBondContact O-N 2.85Å; C125-A128 HydrophobicContact CB-CB 4Å; C125-A128 PolarHBondContact O-N 3.46Å; C125-A128 VanDerWaalsContact SG-CB 3.54Å; C125-A128 PolarHBondContact SG-N 3.2Å; C125-K129 WeakPolarHBondContact O-CG 3.49Å; C125-K129 PolarHBondContact O-N 3.47Å
126E96.8Very high97.7Very high144 Ų14467.6 Ų67.667%0.67335%0.347SS*.Hα-helixtrans-61-39.6179.6-66.3-175.2-179.800111.8N124 A128 K129 M130N124-E126 PolarHBondContact O-N 2.96Å; E126-A128 VanDerWaalsContact C-N 3.34Å; E126-A128 PolarHBondContact O-N 3.46Å; E126-K129 WeakPolarHBondContact O-CB 3.38Å; E126-K129 PolarHBondContact O-N 2.78Å; E126-K129 VanDerWaalsContact O-N 3.14Å; E126-M130 WeakPolarHBondContact O-CG 3.46Å; E126-M130 PolarHBondContact O-N 3.45Å
127D96.4Very high97.7Very high90 Ų9067.4 Ų67.448%0.48135%0.349SS..Hα-helixtrans-60.3-41.8178.6-69.5-36.9000112.4Y96 C125 M130 S131Y96-D127 HydrophobicContact CE2-CB 3.93Å; C125-D127 VanDerWaalsContact C-N 3.3Å; C125-D127 PolarHBondContact O-N 2.85Å; D127-M130 WeakPolarHBondContact OD1-CE 3.44Å; D127-S131 VanDerWaalsContact O-CB 3.29Å; D127-S131 WeakPolarHBondContact O-CB 3.33Å; D127-S131 PolarHBondContact O-N 2.89Å; D127-S131 PolarHBondContact O-OG 3.38Å
128A97.4Very high97.6Very high0 Ų066.6 Ų66.60%035%0.346CS..Hα-helixtrans-69-36.3176.300000111.7Y96 A118 L119 C125 E126 S131 L132Y96-A128 HydrophobicContact CD2-CB 3.92Å; Y96-A128 HydrophobicContact CE2-CB 4.48Å; A118-A128 HydrophobicContact CB-CB 4.31Å; L119-A128 HydrophobicContact CD2-CB 3.78Å; L119-A128 HydrophobicContact CG-CB 3.86Å; C125-A128 HydrophobicContact CB-CB 4Å; C125-A128 PolarHBondContact O-N 3.46Å; C125-A128 VanDerWaalsContact SG-CB 3.54Å; C125-A128 PolarHBondContact SG-N 3.2Å; E126-A128 VanDerWaalsContact C-N 3.34Å; E126-A128 PolarHBondContact O-N 3.46Å; A128-S131 PolarHBondContact O-N 2.96Å; A128-L132 VanDerWaalsContact O-CB 3.25Å; A128-L132 WeakPolarHBondContact O-CB 3.47Å; A128-L132 PolarHBondContact O-N 2.77Å
129K98.3Very high97.5Very high96 Ų9668 Ų6842%0.41735%0.352SS..Hα-helixtrans-62.4-49.1174-66.7176.5-174165.60111.4L119 A123 C125 E126 S131 L132 Q133L119-K129 HydrophobicContact CD1-CG 4.18Å; L119-K129 HydrophobicContact CD2-CG 3.53Å; A123-K129 WeakPolarHBondContact O-CE 3.44Å; A123-K129 PolarHBondContact O-NZ 3.28Å; C125-K129 WeakPolarHBondContact O-CG 3.49Å; C125-K129 PolarHBondContact O-N 3.47Å; E126-K129 WeakPolarHBondContact O-CB 3.38Å; E126-K129 PolarHBondContact O-N 2.78Å; E126-K129 VanDerWaalsContact O-N 3.14Å; K129-S131 VanDerWaalsContact C-N 3.35Å; K129-L132 PolarHBondContact O-N 2.79Å; K129-Q133 WeakPolarHBondContact O-CB 3.32Å; K129-Q133 PolarHBondContact O-N 3.44Å
130M98.4Very high97.3Very high106 Ų10671.4 Ų71.452%0.52237%0.367SS..Hα-helixtrans-61.9-44.5178.7-70.1-172.7-71.300111.2E126 D127 L132 Q133 Q134E126-M130 WeakPolarHBondContact O-CG 3.46Å; E126-M130 PolarHBondContact O-N 3.45Å; D127-M130 WeakPolarHBondContact OD1-CE 3.44Å; M130-L132 PolarHBondContact O-N 3.38Å; M130-Q133 PolarHBondContact O-N 3.27Å; M130-Q134 WeakPolarHBondContact O-CB 3.37Å; M130-Q134 PolarHBondContact O-N 2.96Å
131S98.4Very high97.2Very high20 Ų2069.5 Ų69.514%0.1436%0.357CS..Hα-helixtrans-66.5-39-179.7-55.90000112.1Y96 F115 D127 A128 K129 T135Y96-S131 WeakPolarHBondContact CE2-OG 3.4Å; F115-S131 VanDerWaalsContact CZ-CB 3.46Å; D127-S131 VanDerWaalsContact O-CB 3.29Å; D127-S131 WeakPolarHBondContact O-CB 3.33Å; D127-S131 PolarHBondContact O-N 2.89Å; D127-S131 PolarHBondContact O-OG 3.38Å; A128-S131 PolarHBondContact O-N 2.96Å; K129-S131 VanDerWaalsContact C-N 3.35Å; S131-T135 WeakPolarHBondContact O-CB 3.06Å; S131-T135 PolarHBondContact O-N 3.22Å; S131-T135 PolarHBondContact O-OG1 3.37Å
132L98.6Very high96.9Very high27 Ų2771.3 Ų71.314%0.14136%0.363CS..Hα-helixtrans-62.4-47.6172.7177.258.9000111.4K112 F115 Q116 L119 A128 K129 M130 Q134 T135 L136K112-L132 HydrophobicContact CB-CD1 4.25Å; K112-L132 HydrophobicContact CG-CD1 3.65Å; F115-L132 HydrophobicContact CB-CB 3.94Å; F115-L132 HydrophobicContact CB-CD1 4.37Å; F115-L132 HydrophobicContact CD2-CB 4.49Å; Q116-L132 HydrophobicContact CG-CD1 4.18Å; Q116-L132 HydrophobicContact CG-CD2 3.99Å; L119-L132 HydrophobicContact CD1-CD2 3.74Å; A128-L132 VanDerWaalsContact O-CB 3.25Å; A128-L132 WeakPolarHBondContact O-CB 3.47Å; A128-L132 PolarHBondContact O-N 2.77Å; K129-L132 PolarHBondContact O-N 2.79Å; M130-L132 PolarHBondContact O-N 3.38Å; L132-Q134 VanDerWaalsContact C-N 3.35Å; L132-Q134 PolarHBondContact O-N 3.22Å; L132-T135 WeakPolarHBondContact O-CB 3.44Å; L132-T135 PolarHBondContact O-N 3.06Å; L132-L136 HydrophobicContact CD1-CD1 4.4Å; L132-L136 HydrophobicContact CD1-CG 4.41Å; L132-L136 HydrophobicContact CG-CD1 4.41Å; L132-L136 WeakPolarHBondContact O-CG 3.14Å; L132-L136 PolarHBondContact O-N 3.13Å; L132-L136 VanDerWaalsContact O-N 3.07Å
133Q98.3Very high96.6Very high125 Ų12573 Ų7358%0.58437%0.371SS*.Hα-helixtrans-59.4-46.7178.4-178177.5-600111.3K129 M130 T135 L136 L137K129-Q133 WeakPolarHBondContact O-CB 3.32Å; K129-Q133 PolarHBondContact O-N 3.44Å; M130-Q133 PolarHBondContact O-N 3.27Å; Q133-T135 VanDerWaalsContact C-N 3.35Å; Q133-T135 PolarHBondContact O-N 2.94Å; Q133-L136 PolarHBondContact O-N 3.26Å; Q133-L137 HydrophobicContact CG-CD1 4.49Å; Q133-L137 WeakPolarHBondContact O-CG 3.12Å; Q133-L137 PolarHBondContact O-N 3.1Å; Q133-L137 VanDerWaalsContact O-N 3.15Å
134Q98.3Very high96.5Very high85 Ų8575.9 Ų75.940%0.39738%0.378SS..Hα-helixtrans-62.2-43.1177.5-171.665.348.700111.7Y103 M130 L132 L136 L137 D138Y103-Q134 HydrophobicContact CE2-CG 4.16Å; Y103-Q134 WeakPolarHBondContact OH-CG 3.4Å; M130-Q134 WeakPolarHBondContact O-CB 3.37Å; M130-Q134 PolarHBondContact O-N 2.96Å; L132-Q134 VanDerWaalsContact C-N 3.35Å; L132-Q134 PolarHBondContact O-N 3.22Å; Q134-L136 VanDerWaalsContact C-N 3.27Å; Q134-L136 PolarHBondContact O-N 3.49Å; Q134-L137 PolarHBondContact O-N 3.01Å; Q134-D138 PolarHBondContact NE2-OD1 2.92Å; Q134-D138 PolarHBondContact O-N 3.35Å
135T98.3Very high96.3Very high0 Ų077.8 Ų77.80%038%0.376CS..Hα-helixtrans-56.8-42.3177.5-60.60000111.8Y103 F108 A111 K112 F115 S131 L132 Q133 Q139Y103-T135 HydrophobicContact CD2-CG2 4.3Å; Y103-T135 VanDerWaalsContact CD2-OG1 3.26Å; Y103-T135 WeakPolarHBondContact CD2-OG1 3.3Å; F108-T135 HydrophobicContact CB-CG2 3.97Å; F108-T135 HydrophobicContact CD1-CG2 4.15Å; F108-T135 HydrophobicContact CG-CG2 4.45Å; F108-T135 WeakPolarHBondContact O-CG2 3.42Å; A111-T135 HydrophobicContact CB-CG2 4.12Å; K112-T135 HydrophobicContact CB-CG2 4.35Å; F115-T135 VanDerWaalsContact CE2-OG1 3.31Å; F115-T135 WeakPolarHBondContact CE2-OG1 3.49Å; S131-T135 WeakPolarHBondContact O-CB 3.06Å; S131-T135 PolarHBondContact O-N 3.22Å; S131-T135 PolarHBondContact O-OG1 3.37Å; L132-T135 WeakPolarHBondContact O-CB 3.44Å; L132-T135 PolarHBondContact O-N 3.06Å; Q133-T135 VanDerWaalsContact C-N 3.35Å; Q133-T135 PolarHBondContact O-N 2.94Å; T135-Q139 WeakPolarHBondContact O-CB 3.47Å; T135-Q139 PolarHBondContact O-N 3.4Å
136L98Very high95.8Very high80 Ų8079.8 Ų79.842%0.41940%0.401SS..Hα-helixtrans-67.7-39.7178.8-66.7171.6000112.4K112 L132 Q133 Q134 Q140K112-L136 HydrophobicContact CD-CD2 3.71Å; K112-L136 HydrophobicContact CG-CD2 4.36Å; L132-L136 HydrophobicContact CD1-CD1 4.4Å; L132-L136 HydrophobicContact CD1-CG 4.41Å; L132-L136 HydrophobicContact CG-CD1 4.41Å; L132-L136 WeakPolarHBondContact O-CG 3.14Å; L132-L136 PolarHBondContact O-N 3.13Å; L132-L136 VanDerWaalsContact O-N 3.07Å; Q133-L136 PolarHBondContact O-N 3.26Å; Q134-L136 VanDerWaalsContact C-N 3.27Å; Q134-L136 PolarHBondContact O-N 3.49Å; L136-Q140 WeakPolarHBondContact O-CB 3.36Å; L136-Q140 PolarHBondContact O-N 3.37Å
137L97.8Very high94.1Very high89 Ų8983.3 Ų83.347%0.46641%0.41SS..Hα-helixtrans-63.8-51.6176.7-68.7173.8000111Q133 Q134 Q139 Q140 E141Q133-L137 HydrophobicContact CG-CD1 4.49Å; Q133-L137 WeakPolarHBondContact O-CG 3.12Å; Q133-L137 PolarHBondContact O-N 3.1Å; Q133-L137 VanDerWaalsContact O-N 3.15Å; Q134-L137 PolarHBondContact O-N 3.01Å; L137-Q139 VanDerWaalsContact C-N 3.3Å; L137-Q139 PolarHBondContact O-N 3.46Å; L137-Q140 PolarHBondContact O-N 2.99Å; L137-Q140 VanDerWaalsContact O-N 3.13Å; L137-E141 PolarHBondContact O-N 3.18Å
138D96.9Very high94Very high41 Ų4183 Ų8322%0.21941%0.406CS..Hα-helixtrans-65-36.5-178.5-78.621.5000112Y103 F108 Q134 E141 K142Y103-D138 HydrophobicContact CE2-CB 4.3Å; Y103-D138 PolarHBondContact OH-OD2 3.34Å; F108-D138 HydrophobicContact CE1-CB 4.09Å; F108-D138 HydrophobicContact CE2-CB 4.39Å; F108-D138 HydrophobicContact CZ-CB 3.84Å; Q134-D138 PolarHBondContact NE2-OD1 2.92Å; Q134-D138 PolarHBondContact O-N 3.35Å; D138-E141 PolarHBondContact O-N 3.04Å; D138-K142 WeakPolarHBondContact O-CB 3.45Å; D138-K142 PolarHBondContact O-N 2.93Å
139Q95.9Very high93.9Very high33 Ų3387.4 Ų87.415%0.15443%0.428CS..Hα-helixtrans-61.4-47172.8-178.3175.624.400111.5F108 E109 T135 L137 E141 K142 L143F108-Q139 HydrophobicContact CB-CB 3.95Å; F108-Q139 HydrophobicContact CB-CG 4.17Å; F108-Q139 HydrophobicContact CD2-CB 3.87Å; F108-Q139 HydrophobicContact CD2-CG 4.26Å; F108-Q139 HydrophobicContact CG-CB 4.09Å; E109-Q139 PolarHBondContact OE1-NE2 2.95Å; T135-Q139 WeakPolarHBondContact O-CB 3.47Å; T135-Q139 PolarHBondContact O-N 3.4Å; L137-Q139 VanDerWaalsContact C-N 3.3Å; L137-Q139 PolarHBondContact O-N 3.46Å; Q139-E141 VanDerWaalsContact C-N 3.33Å; Q139-E141 PolarHBondContact O-N 3.48Å; Q139-K142 PolarHBondContact O-N 3.37Å; Q139-L143 HydrophobicContact CG-CD1 4.33Å; Q139-L143 WeakPolarHBondContact O-CG 3.29Å; Q139-L143 PolarHBondContact O-N 3.06Å
140Q95.7Very high93.6Very high102 Ų10286.9 Ų86.948%0.47743%0.428SS..Hα-helixtrans-64.2-40.5178.6-174.261.556.800111.2L136 L137 K142 L143 N144L136-Q140 WeakPolarHBondContact O-CB 3.36Å; L136-Q140 PolarHBondContact O-N 3.37Å; L137-Q140 PolarHBondContact O-N 2.99Å; L137-Q140 VanDerWaalsContact O-N 3.13Å; Q140-K142 VanDerWaalsContact C-N 3.35Å; Q140-K142 PolarHBondContact O-N 3.07Å; Q140-L143 PolarHBondContact O-N 3.08Å; Q140-N144 PolarHBondContact NE2-OD1 3.22Å; Q140-N144 WeakPolarHBondContact O-CB 3.09Å; Q140-N144 PolarHBondContact O-N 3.42Å; Q140-N144 PolarHBondContact O-ND2 3.01Å; Q140-N144 PolarHBondContact O-OD1 3.42Å
141E94.9Very high93.3Very high92 Ų9285.8 Ų85.843%0.4342%0.423SS..Hα-helixtrans-61.1-43174.2-74.1-164.5-169.900112.3L137 D138 Q139 L143 N144 R145L137-E141 PolarHBondContact O-N 3.18Å; D138-E141 PolarHBondContact O-N 3.04Å; Q139-E141 VanDerWaalsContact C-N 3.33Å; Q139-E141 PolarHBondContact O-N 3.48Å; E141-L143 VanDerWaalsContact C-N 3.35Å; E141-L143 PolarHBondContact O-N 3.02Å; E141-N144 PolarHBondContact O-N 2.93Å; E141-R145 VanDerWaalsContact O-CG 3.24Å; E141-R145 WeakPolarHBondContact O-CG 3.34Å; E141-R145 PolarHBondContact O-N 2.74Å; E141-R145 IonicContact OE2-CZ 3.86Å; E141-R145 IonicContact OE2-NH2 2.87Å; E141-R145 PolarHBondContact OE2-NH2 3.22Å
142K92.4Very high93Very high87 Ų8789.9 Ų89.938%0.37844%0.44SS..Hα-helixtrans-59.8-45.4176.5-179177.2174.2-178.30111.5F108 D138 Q139 Q140 R145 G146 Y147F108-K142 HydrophobicContact CD2-CD 4.06Å; F108-K142 HydrophobicContact CE2-CB 4.13Å; F108-K142 HydrophobicContact CE2-CD 3.68Å; D138-K142 WeakPolarHBondContact O-CB 3.45Å; D138-K142 PolarHBondContact O-N 2.93Å; Q139-K142 PolarHBondContact O-N 3.37Å; Q140-K142 VanDerWaalsContact C-N 3.35Å; Q140-K142 PolarHBondContact O-N 3.07Å; K142-R145 PolarHBondContact O-N 3.38Å; K142-G146 PolarHBondContact O-N 2.99Å; K142-Y147 PolarHBondContact O-N 2.95Å
143L91.8Very high92.6Very high100 Ų10094.1 Ų94.152%0.52446%0.46SS..Hα-helixtrans-63.2-42.3176.1-68.6171.1000111.8Q139 Q140 E141 R145 G146Q139-L143 HydrophobicContact CG-CD1 4.33Å; Q139-L143 WeakPolarHBondContact O-CG 3.29Å; Q139-L143 PolarHBondContact O-N 3.06Å; Q140-L143 PolarHBondContact O-N 3.08Å; E141-L143 VanDerWaalsContact C-N 3.35Å; E141-L143 PolarHBondContact O-N 3.02Å; L143-R145 PolarHBondContact O-N 3.15Å; L143-G146 PolarHBondContact O-N 3.37Å
144N92.9Very high92.2Very high119 Ų11991.9 Ų91.964%0.63645%0.451SS*.Hα-helixtrans-63.8-28.3177.5-69.4-10.7000112.5Q140 E141 G146Q140-N144 PolarHBondContact NE2-OD1 3.22Å; Q140-N144 WeakPolarHBondContact O-CB 3.09Å; Q140-N144 PolarHBondContact O-N 3.42Å; Q140-N144 PolarHBondContact O-ND2 3.01Å; Q140-N144 PolarHBondContact O-OD1 3.42Å; E141-N144 PolarHBondContact O-N 2.93Å; N144-G146 VanDerWaalsContact C-N 3.25Å
145R92.3Very high91.8Very high169 Ų16992.4 Ų92.464%0.63846%0.455SS*.THydrogen-bonded Turntrans-80.8-3.3175-67171.7-164.6-162.49.9113.1E141 K142 L143 Y147E141-R145 VanDerWaalsContact O-CG 3.24Å; E141-R145 WeakPolarHBondContact O-CG 3.34Å; E141-R145 PolarHBondContact O-N 2.74Å; E141-R145 IonicContact OE2-CZ 3.86Å; E141-R145 IonicContact OE2-NH2 2.87Å; E141-R145 PolarHBondContact OE2-NH2 3.22Å; K142-R145 PolarHBondContact O-N 3.38Å; L143-R145 PolarHBondContact O-N 3.15Å; R145-Y147 HydrophobicContact CB-CD2 3.78Å; R145-Y147 HydrophobicContact CB-CE2 3.93Å
146G83.4Confident91.2Very high70 Ų70100.1 Ų100.172%0.72249%0.493SS*.THydrogen-bonded Turntrans82.623.9173.600000115.5K142 L143 N144K142-G146 PolarHBondContact O-N 2.99Å; L143-G146 PolarHBondContact O-N 3.37Å; N144-G146 VanDerWaalsContact C-N 3.25Å
147Y62.7Low90.6Very high219 Ų219101.9 Ų101.986%0.85950%0.5SS*.  trans-100.60175.9-65.5-83.5000113K142 R145K142-Y147 PolarHBondContact O-N 2.95Å; R145-Y147 HydrophobicContact CB-CD2 3.78Å; R145-Y147 HydrophobicContact CB-CE2 3.93Å

Retrieved 147 of 147 residues in 1135.2 ms (Link to these results)

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