A0A5K4F3L7_SCHMA Loading...

GST N-terminal domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F3L7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 245 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
1M75.7Confident93.7Very high149 Ų14971.5 Ų71.573%0.73440%0.398SS*.  01380-80.9179.5-80.800107.4L47 D243M1-L47 HydrophobicContact CB-CD1 3.56Å; M1-L47 HydrophobicContact CG-CD1 3.81Å; M1-L47 HydrophobicContact SD-CD1 3.85Å; M1-D243 VanDerWaalsContact O-OD1 3.1Å
2K91.3Very high93.8Very high117 Ų11780.2 Ų80.251%0.50943%0.43SS..  trans-118.3125.4177.5-179.6-172.1172.8-163.20108.5D8K2-D8 IonicContact NZ-OD1 2.79Å; K2-D8 PolarHBondContact NZ-OD1 3.42Å; K2-D8 IonicContact NZ-OD2 3.27Å; K2-D8 PolarHBondContact NZ-OD2 2.65Å
3H95.6Very high94Very high6 Ų675.7 Ų75.73%0.02841%0.407CS..  trans-82.6118.6170.2-64.175.9000109.7K5 F23 C24 P242 D243H3-K5 PolarHBondContact O-N 3.05Å; H3-F23 AromaticContact CD2-CD2 3.43Å; H3-F23 VanDerWaalsContact CD2-CD2 3.43Å; H3-F23 WeakPolarHBondContact CD2-CD2 3.49Å; H3-F23 AromaticContact CD2-CE2 3.84Å; H3-F23 AromaticContact NE2-CD2 3.68Å; H3-F23 AromaticContact NE2-CE2 3.99Å; H3-C24 PolarHBondContact CE1-SG 2.87Å; H3-C24 PolarHBondContact NE2-N 3.04Å; H3-C24 PolarHBondContact NE2-SG 3.36Å; H3-P242 HydrophobicContact CB-CG 4.26Å; H3-P242 PolarHBondContact CE1-O 2.75Å; H3-P242 PolarHBondContact ND1-O 3.42Å; H3-D243 IonicContact CE1-OD1 3.41Å; H3-D243 IonicContact CG-OD1 3.31Å; H3-D243 PolarHBondContact N-OD1 2.94Å; H3-D243 IonicContact ND1-OD1 3.66Å; H3-D243 PolarHBondContact ND1-OD1 2.61Å
4L96.1Very high94.1Very high32 Ų3273.4 Ų73.417%0.16840%0.395CS..BIsolated β-bridgetrans-63134.3174.7-59.4179.5000109.5D8 P11 I46 L47 V48 S49 P54 W56L4-D8 WeakPolarHBondContact CA-OD2 3.49Å; L4-D8 HydrophobicContact CB-CB 4.34Å; L4-D8 HydrophobicContact CD2-CB 4.19Å; L4-P11 HydrophobicContact CD1-CB 4.24Å; L4-P11 HydrophobicContact CD1-CG 3.82Å; L4-I46 HydrophobicContact CD1-CG2 3.85Å; L4-L47 PolarHBondContact N-O 3.1Å; L4-V48 CarbonylContact O-C 3.51Å; L4-V48 WeakPolarHBondContact O-CA 3.34Å; L4-S49 PolarHBondContact O-N 3.22Å; L4-P54 HydrophobicContact CB-CG 4.1Å; L4-P54 WeakPolarHBondContact O-CD 3.46Å; L4-P54 VanDerWaalsContact O-CG 3.26Å; L4-P54 WeakPolarHBondContact O-CG 3.37Å; L4-W56 HydrophobicContact CB-CZ2 3.96Å; L4-W56 HydrophobicContact CD1-CH2 4Å; L4-W56 HydrophobicContact CD1-CZ2 3.61Å; L4-W56 HydrophobicContact CG-CZ2 4.44Å
5K94.9Very high94.1Very high99 Ų9973.1 Ų73.143%0.4340%0.398SS..  trans-125.3179.8-174.350.4173.7172.9-176.80112H3 G7 D8 D52H3-K5 PolarHBondContact O-N 3.05Å; K5-G7 PolarHBondContact O-N 3.12Å; K5-D8 WeakPolarHBondContact CG-OD2 3.41Å; K5-D8 PolarHBondContact N-OD2 3.49Å; K5-D8 WeakPolarHBondContact O-CB 3.34Å; K5-D8 PolarHBondContact O-N 3.09Å; K5-D52 CarbonylContact C-O 3.55Å; K5-D52 WeakPolarHBondContact CA-O 2.99Å; K5-D52 HydrophobicContact CB-CB 4.31Å; K5-D52 WeakPolarHBondContact CB-O 3.49Å
6N95.2Very high94.1Very high70 Ų7075.9 Ų75.937%0.37441%0.413SS..THydrogen-bonded Turntrans-56.5137177.1-164.523.7000111.7D8 D52 D55N6-D8 VanDerWaalsContact C-N 3.27Å; N6-D8 PolarHBondContact O-N 3.13Å; N6-D52 WeakPolarHBondContact CB-OD1 3.37Å; N6-D52 PolarHBondContact N-O 3.42Å; N6-D52 VanDerWaalsContact N-O 3.09Å; N6-D55 PolarHBondContact OD1-OD1 3.33Å; N6-D55 PolarHBondContact OD1-OD2 3.37Å
7G96Very high94.2Very high73 Ų7376.2 Ų76.275%0.75341%0.406SS*.THydrogen-bonded Turntrans78.7-12-173.300000116.2K5K5-G7 PolarHBondContact O-N 3.12Å
8D96.7Very high94.5Very high27 Ų2773.9 Ų73.914%0.14439%0.391CS..SBendtrans-68.8141.8169.2-77.8-42.7000109.9K2 L4 K5 N6 W56K2-D8 IonicContact NZ-OD1 2.79Å; K2-D8 PolarHBondContact NZ-OD1 3.42Å; K2-D8 IonicContact NZ-OD2 3.27Å; K2-D8 PolarHBondContact NZ-OD2 2.65Å; L4-D8 WeakPolarHBondContact CA-OD2 3.49Å; L4-D8 HydrophobicContact CB-CB 4.34Å; L4-D8 HydrophobicContact CD2-CB 4.19Å; K5-D8 WeakPolarHBondContact CG-OD2 3.41Å; K5-D8 PolarHBondContact N-OD2 3.49Å; K5-D8 WeakPolarHBondContact O-CB 3.34Å; K5-D8 PolarHBondContact O-N 3.09Å; N6-D8 VanDerWaalsContact C-N 3.27Å; N6-D8 PolarHBondContact O-N 3.13Å; D8-W56 PolarHBondContact O-NE1 2.78Å
9P96.7Very high94.6Very high103 Ų10370.1 Ų70.167%0.66937%0.371SS*.PPolyproline II helixtrans-63.5149.3-178.727.3-35.1000111.9P11 W56P9-P11 WeakPolarHBondContact O-CD 3.3Å; P9-W56 PolarHBondContact O-NE1 3.2Å
10E96.5Very high94.8Very high77 Ų7766.6 Ų66.636%0.3635%0.352SS..PPolyproline II helixtrans-61.4122.3173-175.7171.6-167.400109.4W56 K59 Y60E10-W56 HydrophobicContact CB-CB 4.02Å; E10-W56 HydrophobicContact CB-CD2 4.1Å; E10-W56 HydrophobicContact CB-CG 3.71Å; E10-W56 HydrophobicContact CG-CB 4.1Å; E10-W56 HydrophobicContact CG-CD2 4.09Å; E10-W56 HydrophobicContact CG-CE3 4.31Å; E10-W56 HydrophobicContact CG-CG 4Å; E10-K59 IonicContact OE1-NZ 3.42Å; E10-K59 IonicContact OE2-NZ 3.47Å; E10-K59 PolarHBondContact OE2-NZ 3.14Å; E10-Y60 HydrophobicContact CG-CE2 4.49Å; E10-Y60 WeakPolarHBondContact OE1-CE2 3.4Å; E10-Y60 PolarHBondContact OE1-OH 2.92Å; E10-Y60 VanDerWaalsContact OE1-OH 3.14Å
11P95.7Very high95Very high33 Ų3363.4 Ų63.421%0.21434%0.336CS..PPolyproline II helixtrans-69.4152.3177.230.3-35.4000110.3L4 P9 V13 I46 W56L4-P11 HydrophobicContact CD1-CB 4.24Å; L4-P11 HydrophobicContact CD1-CG 3.82Å; P9-P11 WeakPolarHBondContact O-CD 3.3Å; P11-V13 PolarHBondContact O-N 2.88Å; P11-I46 HydrophobicContact CB-CD1 4.1Å; P11-I46 HydrophobicContact CG-CD1 3.64Å; P11-I46 HydrophobicContact CG-CG1 4.26Å; P11-I46 HydrophobicContact CG-CG2 3.92Å; P11-W56 VanDerWaalsContact CD-CZ2 3.43Å; P11-W56 HydrophobicContact CG-CH2 4.02Å; P11-W56 HydrophobicContact CG-CZ2 4.22Å; P11-W56 HydrophobicContact CG-CZ3 4.5Å
12F95.4Very high96Very high176 Ų17656.3 Ų56.377%0.77230%0.301SS*.PPolyproline II helixtrans-66.1134.5168.3177.6-106.2000110D14F12-D14 HydrophobicContact CE1-CB 3.9Å; F12-D14 HydrophobicContact CZ-CB 4.39Å
13V96Very high96.3Very high22 Ų2251.5 Ų51.513%0.13328%0.28CS..  trans-119.6114174.8178.70000107P11 P15 T19 F21 I46 Y60 M70P11-V13 PolarHBondContact O-N 2.88Å; V13-P15 WeakPolarHBondContact O-CD 3.09Å; V13-T19 HydrophobicContact CG1-CG2 4.39Å; V13-F21 HydrophobicContact CG2-CE2 4.27Å; V13-F21 HydrophobicContact CG2-CZ 3.73Å; V13-I46 HydrophobicContact CG2-CD1 3.93Å; V13-Y60 HydrophobicContact CG2-CE1 4.19Å; V13-Y60 WeakPolarHBondContact CG2-OH 3.24Å; V13-M70 HydrophobicContact CG1-CB 4.28Å; V13-M70 HydrophobicContact CG1-CG 4.01Å
14D95.4Very high96.3Very high44 Ų4451.8 Ų51.824%0.23528%0.282CS..  trans-70.9117177.3-175-11000109.5F12 N16 R17F12-D14 HydrophobicContact CE1-CB 3.9Å; F12-D14 HydrophobicContact CZ-CB 4.39Å; D14-N16 PolarHBondContact O-N 2.79Å; D14-N16 WeakPolarHBondContact OD1-CB 3.48Å; D14-N16 PolarHBondContact OD1-N 3.18Å; D14-N16 PolarHBondContact OD1-ND2 3.34Å; D14-R17 HydrophobicContact CB-CB 4.21Å; D14-R17 HydrophobicContact CB-CG 4.24Å; D14-R17 PolarHBondContact O-N 3.47Å; D14-R17 WeakPolarHBondContact OD2-CD 3.25Å
15P94.1Very high96.3Very high68 Ų6850.5 Ų50.544%0.44228%0.276SS..THydrogen-bonded Turntrans-69-0.317931.7-37.4000113.3V13 H72 G73V13-P15 WeakPolarHBondContact O-CD 3.09Å; P15-H72 CarbonylContact O-C 3.49Å; P15-H72 WeakPolarHBondContact O-CA 3.42Å; P15-G73 PolarHBondContact O-N 3.11Å
16N95.1Very high96.3Very high119 Ų11946.6 Ų46.664%0.63626%0.26SS*.THydrogen-bonded Turntrans-109.26.3176.4-50.5-74.4000113.3D14 H72D14-N16 PolarHBondContact O-N 2.79Å; D14-N16 WeakPolarHBondContact OD1-CB 3.48Å; D14-N16 PolarHBondContact OD1-N 3.18Å; D14-N16 PolarHBondContact OD1-ND2 3.34Å; N16-H72 VanDerWaalsContact C-CD2 3.48Å; N16-H72 PolarHBondContact O-CD2 2.73Å; N16-H72 VanDerWaalsContact O-CD2 3.22Å; N16-H72 PolarHBondContact O-NE2 2.97Å
17R95.9Very high96.5Very high80 Ų8043.5 Ų43.530%0.30224%0.244SC..SBendtrans-123.7161.9178.9-68.5179.56077.7-2.6111D14 D42 D44D14-R17 HydrophobicContact CB-CB 4.21Å; D14-R17 HydrophobicContact CB-CG 4.24Å; D14-R17 PolarHBondContact O-N 3.47Å; D14-R17 WeakPolarHBondContact OD2-CD 3.25Å; R17-D42 IonicContact CZ-OD2 3.13Å; R17-D42 IonicContact NH1-OD2 3.52Å; R17-D42 PolarHBondContact NH1-OD2 3.21Å; R17-D42 IonicContact NH2-OD2 2.69Å; R17-D42 PolarHBondContact NH2-OD2 2.86Å; R17-D44 IonicContact CZ-OD1 3.81Å; R17-D44 IonicContact NE-OD1 3.09Å; R17-D44 PolarHBondContact NE-OD1 3.04Å; R17-D44 VanDerWaalsContact NE-OD1 3.13Å; R17-D44 IonicContact NE-OD2 3.95Å; R17-D44 PolarHBondContact NE-OD2 3.15Å; R17-D44 VanDerWaalsContact NE-OD2 3.09Å; R17-D44 IonicContact NH2-OD1 3.38Å; R17-D44 PolarHBondContact NH2-OD1 3.01Å
18Y98Very high96.6Very high35 Ų3544.1 Ų44.114%0.13723%0.226CC..EExtended strand (participates in β ladder)trans-72.2133.2162.3-67.1-69.2000109.5I41 Y43 D44 L69 M70 N71 H72 F85 L89Y18-I41 HydrophobicContact CD2-CG2 3.56Å; Y18-I41 HydrophobicContact CE2-CG2 3.83Å; Y18-I41 HydrophobicContact CG-CG2 4.3Å; Y18-Y43 CarbonylContact O-C 3.59Å; Y18-Y43 WeakPolarHBondContact O-CA 3.29Å; Y18-D44 PolarHBondContact O-N 2.98Å; Y18-L69 HydrophobicContact CD1-CD1 4.3Å; Y18-L69 HydrophobicContact CD1-CD2 4.18Å; Y18-L69 HydrophobicContact CD1-CG 4.39Å; Y18-M70 VanDerWaalsContact CA-O 3.28Å; Y18-M70 WeakPolarHBondContact CA-O 3.5Å; Y18-N71 HydrophobicContact CD1-CB 4.25Å; Y18-N71 HydrophobicContact CE1-CB 3.98Å; Y18-N71 WeakPolarHBondContact CE1-OD1 3.3Å; Y18-H72 AromaticContact CE2-CE1 3.79Å; Y18-H72 AromaticContact CZ-CE1 3.62Å; Y18-F85 AromaticContact CE1-CE1 3.92Å; Y18-F85 HydrophobicContact CE1-CE1 3.92Å; Y18-F85 HydrophobicContact CE1-CZ 4.24Å; Y18-L89 HydrophobicContact CE1-CD1 4.41Å; Y18-L89 HydrophobicContact CE2-CD1 4.35Å; Y18-L89 VanDerWaalsContact OH-CD1 3.24Å; Y18-L89 WeakPolarHBondContact OH-CD1 3.34Å
19T98Very high96.6Very high1 Ų142.9 Ų42.91%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-132.3120.6172-54.30000110.3V13 F21 D44 I46 M70V13-T19 HydrophobicContact CG1-CG2 4.39Å; T19-F21 HydrophobicContact CG2-CE2 4.14Å; T19-D44 CarbonylContact C-O 2.94Å; T19-D44 VanDerWaalsContact CA-O 3.29Å; T19-D44 WeakPolarHBondContact CA-O 3.44Å; T19-D44 HydrophobicContact CG2-CB 4.17Å; T19-I46 HydrophobicContact CG2-CD1 3.46Å; T19-I46 VanDerWaalsContact CG2-CD1 3.46Å; T19-I46 HydrophobicContact CG2-CG1 3.9Å; T19-M70 PolarHBondContact N-O 3.35Å; T19-M70 PolarHBondContact O-N 2.9Å
20L98.4Very high96.7Very high0 Ų038.2 Ų38.20%019%0.189CC..EExtended strand (participates in β ladder)trans-96.8116.4177.717960.8000110.2A22 V32 K33 L36 Y43 D44 L45 I46 P67 L69L20-A22 HydrophobicContact CD2-CB 4.28Å; L20-A22 HydrophobicContact CG-CB 4.06Å; L20-V32 HydrophobicContact CD1-CB 4.37Å; L20-V32 HydrophobicContact CD1-CG1 3.83Å; L20-V32 HydrophobicContact CD2-CB 4.5Å; L20-V32 HydrophobicContact CD2-CG1 4.12Å; L20-K33 HydrophobicContact CD2-CG 3.63Å; L20-L36 HydrophobicContact CD2-CD1 4.03Å; L20-Y43 HydrophobicContact CB-CD2 3.76Å; L20-Y43 HydrophobicContact CB-CE2 3.96Å; L20-Y43 HydrophobicContact CD2-CE2 4.08Å; L20-D44 PolarHBondContact N-O 3.27Å; L20-L45 HydrophobicContact CB-CD1 4.35Å; L20-L45 HydrophobicContact CD2-CD1 4.23Å; L20-L45 HydrophobicContact CG-CD1 4.28Å; L20-I46 PolarHBondContact O-N 3.34Å; L20-P67 HydrophobicContact CD1-CB 3.95Å; L20-L69 HydrophobicContact CB-CD1 4.46Å
21F98.2Very high96.8Very high0 Ų035 Ų350%017%0.173CC..EExtended strand (participates in β ladder)trans-84.5121.8163-67.1-99.2000109V13 T19 I46 V48 W56 L57 Y60 V66 L68 M70V13-F21 HydrophobicContact CG2-CE2 4.27Å; V13-F21 HydrophobicContact CG2-CZ 3.73Å; T19-F21 HydrophobicContact CG2-CE2 4.14Å; F21-I46 CarbonylContact C-O 3.59Å; F21-I46 VanDerWaalsContact CA-O 3.31Å; F21-I46 WeakPolarHBondContact CA-O 3.18Å; F21-I46 HydrophobicContact CD1-CB 3.92Å; F21-I46 HydrophobicContact CD1-CD1 4.36Å; F21-I46 HydrophobicContact CD1-CG2 3.71Å; F21-I46 HydrophobicContact CE1-CB 4.04Å; F21-I46 HydrophobicContact CE1-CD1 3.67Å; F21-I46 HydrophobicContact CE1-CG1 4.47Å; F21-I46 HydrophobicContact CE1-CG2 3.73Å; F21-I46 HydrophobicContact CE2-CD1 4.16Å; F21-I46 HydrophobicContact CG-CB 4.41Å; F21-I46 HydrophobicContact CZ-CD1 3.58Å; F21-V48 HydrophobicContact CD1-CG1 4.16Å; F21-W56 HydrophobicContact CD1-CH2 4.43Å; F21-W56 HydrophobicContact CD1-CZ3 4.13Å; F21-W56 HydrophobicContact CE1-CH2 4.01Å; F21-W56 AromaticContact CE1-CZ3 3.55Å; F21-W56 HydrophobicContact CE1-CZ3 3.55Å; F21-L57 HydrophobicContact CD1-CD1 4.11Å; F21-Y60 HydrophobicContact CE2-CD1 4.36Å; F21-Y60 HydrophobicContact CZ-CD1 4.31Å; F21-Y60 HydrophobicContact CZ-CD2 4.33Å; F21-Y60 HydrophobicContact CZ-CE1 4.27Å; F21-Y60 HydrophobicContact CZ-CE2 4.3Å; F21-Y60 HydrophobicContact CZ-CG 4.32Å; F21-V66 HydrophobicContact CB-CG1 4.27Å; F21-L68 HydrophobicContact CB-CB 4.12Å; F21-L68 HydrophobicContact CB-CD2 4.18Å; F21-L68 HydrophobicContact CD2-CD2 3.59Å; F21-L68 HydrophobicContact CD2-CG 4.13Å; F21-L68 HydrophobicContact CE2-CD2 4.14Å; F21-L68 HydrophobicContact CG-CD2 3.94Å; F21-L68 PolarHBondContact N-O 3.01Å; F21-L68 PolarHBondContact O-N 3.02Å; F21-M70 HydrophobicContact CD2-CG 4.19Å; F21-M70 HydrophobicContact CE2-CG 3.63Å; F21-M70 HydrophobicContact CE2-SD 4.42Å
22A97.9Very high96.9Very high0 Ų033.4 Ų33.40%016%0.163CC..EExtended strand (participates in β ladder)trans-144.1164.5-173.100000113.4L20 C29 L45 I46 L47 V48L20-A22 HydrophobicContact CD2-CB 4.28Å; L20-A22 HydrophobicContact CG-CB 4.06Å; A22-C29 HydrophobicContact CB-CB 3.8Å; A22-L45 HydrophobicContact CB-CD1 3.93Å; A22-I46 PolarHBondContact N-O 3.45Å; A22-L47 HydrophobicContact CB-CD2 4.25Å; A22-L47 CarbonylContact O-C 3.59Å; A22-L47 VanDerWaalsContact O-CA 3.27Å; A22-L47 WeakPolarHBondContact O-CA 3.47Å; A22-V48 PolarHBondContact O-N 3.23Å
23F96.5Very high97.1Very high16 Ų1626 Ų267%0.0713%0.131CC..  trans-116.6128.4162.6179.2-109.3000107.6H3 F25 C26 V48 L50 V66 F231 P242H3-F23 AromaticContact CD2-CD2 3.43Å; H3-F23 VanDerWaalsContact CD2-CD2 3.43Å; H3-F23 WeakPolarHBondContact CD2-CD2 3.49Å; H3-F23 AromaticContact CD2-CE2 3.84Å; H3-F23 AromaticContact NE2-CD2 3.68Å; H3-F23 AromaticContact NE2-CE2 3.99Å; F23-F25 VanDerWaalsContact C-N 3.27Å; F23-F25 HydrophobicContact CD1-CB 4.2Å; F23-F25 HydrophobicContact CE1-CB 3.72Å; F23-F25 HydrophobicContact CE1-CD2 4.37Å; F23-F25 HydrophobicContact CZ-CB 4.47Å; F23-F25 HydrophobicContact CZ-CD2 4.32Å; F23-F25 PolarHBondContact O-N 2.79Å; F23-C26 HydrophobicContact CB-CB 3.94Å; F23-C26 HydrophobicContact CD1-CB 3.98Å; F23-C26 HydrophobicContact CG-CB 4.47Å; F23-C26 VanDerWaalsContact O-CB 3.32Å; F23-C26 WeakPolarHBondContact O-CB 3.28Å; F23-C26 PolarHBondContact O-N 2.95Å; F23-V48 WeakPolarHBondContact CD2-O 3.48Å; F23-L50 HydrophobicContact CB-CD1 3.61Å; F23-L50 HydrophobicContact CB-CD2 4.39Å; F23-L50 HydrophobicContact CB-CG 3.78Å; F23-L50 HydrophobicContact CD1-CD1 3.87Å; F23-L50 HydrophobicContact CD1-CG 4.37Å; F23-L50 HydrophobicContact CD2-CD1 4.39Å; F23-L50 HydrophobicContact CD2-CG 4.01Å; F23-L50 HydrophobicContact CG-CD1 3.71Å; F23-L50 HydrophobicContact CG-CG 3.81Å; F23-V66 HydrophobicContact CB-CG2 4.17Å; F23-F231 HydrophobicContact CE1-CE1 4.18Å; F23-F231 HydrophobicContact CE1-CE2 4.32Å; F23-F231 AromaticContact CE1-CZ 3.63Å; F23-F231 HydrophobicContact CE1-CZ 3.63Å; F23-F231 HydrophobicContact CZ-CE1 4.44Å; F23-F231 AromaticContact CZ-CE2 3.77Å; F23-F231 HydrophobicContact CZ-CE2 3.77Å; F23-F231 AromaticContact CZ-CZ 3.51Å; F23-F231 HydrophobicContact CZ-CZ 3.51Å; F23-P242 HydrophobicContact CE2-CB 3.41Å; F23-P242 VanDerWaalsContact CE2-CB 3.41Å; F23-P242 HydrophobicContact CE2-CG 4.19Å; F23-P242 HydrophobicContact CZ-CB 3.71Å
24C95.1Very high97.2Very high12 Ų1225 Ų258%0.08113%0.125CC..THydrogen-bonded Turntrans-63.7-30.9-165.370.20000113.9H3 L47 I223H3-C24 PolarHBondContact CE1-SG 2.87Å; H3-C24 PolarHBondContact NE2-N 3.04Å; H3-C24 PolarHBondContact NE2-SG 3.36Å; C24-L47 HydrophobicContact CB-CD2 4.21Å; C24-I223 HydrophobicContact CB-CD1 4Å; C24-I223 VanDerWaalsContact O-CD1 3.3Å; C24-I223 WeakPolarHBondContact O-CD1 3.39Å
25F95.9Very high97.4Very high6 Ų622.9 Ų22.93%0.02611%0.113CC..THydrogen-bonded Turntrans-92.67176.8-61.2-78.7000113.6F23 P27 Y170 I223 I227 K228 F231 P242 I244F23-F25 VanDerWaalsContact C-N 3.27Å; F23-F25 HydrophobicContact CD1-CB 4.2Å; F23-F25 HydrophobicContact CE1-CB 3.72Å; F23-F25 HydrophobicContact CE1-CD2 4.37Å; F23-F25 HydrophobicContact CZ-CB 4.47Å; F23-F25 HydrophobicContact CZ-CD2 4.32Å; F23-F25 PolarHBondContact O-N 2.79Å; F25-P27 WeakPolarHBondContact O-CD 3.21Å; F25-Y170 PolarHBondContact O-OH 2.87Å; F25-I223 HydrophobicContact CD1-CD1 3.97Å; F25-I223 HydrophobicContact CE1-CD1 3.89Å; F25-I223 HydrophobicContact CE1-CG2 3.85Å; F25-I223 HydrophobicContact CG-CD1 4.49Å; F25-I223 HydrophobicContact CZ-CD1 4.31Å; F25-I227 HydrophobicContact CE1-CG2 4.07Å; F25-I227 HydrophobicContact CZ-CG2 4.01Å; F25-K228 HydrophobicContact CD1-CG 4.31Å; F25-K228 HydrophobicContact CE1-CG 4.5Å; F25-F231 HydrophobicContact CB-CD1 3.54Å; F25-F231 HydrophobicContact CB-CE1 3.44Å; F25-F231 VanDerWaalsContact CB-CE1 3.44Å; F25-F231 HydrophobicContact CB-CG 4.22Å; F25-F231 HydrophobicContact CB-CZ 4.06Å; F25-F231 HydrophobicContact CD1-CB 3.8Å; F25-F231 AromaticContact CD1-CD1 3.62Å; F25-F231 HydrophobicContact CD1-CD1 3.62Å; F25-F231 HydrophobicContact CD1-CE1 4.41Å; F25-F231 AromaticContact CD1-CG 3.75Å; F25-F231 HydrophobicContact CD1-CG 3.75Å; F25-F231 HydrophobicContact CD2-CB 4.02Å; F25-F231 AromaticContact CD2-CD1 3.65Å; F25-F231 HydrophobicContact CD2-CD1 3.65Å; F25-F231 AromaticContact CD2-CD2 3.45Å; F25-F231 HydrophobicContact CD2-CD2 3.45Å; F25-F231 VanDerWaalsContact CD2-CD2 3.45Å; F25-F231 AromaticContact CD2-CE1 3.95Å; F25-F231 HydrophobicContact CD2-CE1 3.95Å; F25-F231 AromaticContact CD2-CE2 3.77Å; F25-F231 HydrophobicContact CD2-CE2 3.77Å; F25-F231 AromaticContact CD2-CG 3.38Å; F25-F231 HydrophobicContact CD2-CG 3.38Å; F25-F231 HydrophobicContact CD2-CZ 4.02Å; F25-F231 HydrophobicContact CE1-CB 3.49Å; F25-F231 VanDerWaalsContact CE1-CB 3.49Å; F25-F231 HydrophobicContact CE1-CD1 4.23Å; F25-F231 AromaticContact CE1-CG 3.9Å; F25-F231 HydrophobicContact CE1-CG 3.9Å; F25-F231 HydrophobicContact CE2-CB 3.74Å; F25-F231 HydrophobicContact CE2-CD1 4.27Å; F25-F231 AromaticContact CE2-CD2 3.59Å; F25-F231 HydrophobicContact CE2-CD2 3.59Å; F25-F231 HydrophobicContact CE2-CE2 4.29Å; F25-F231 AromaticContact CE2-CG 3.58Å; F25-F231 HydrophobicContact CE2-CG 3.58Å; F25-F231 HydrophobicContact CG-CB 4.07Å; F25-F231 AromaticContact CG-CD1 3.31Å; F25-F231 HydrophobicContact CG-CD1 3.31Å; F25-F231 HydrophobicContact CG-CD2 4.05Å; F25-F231 AromaticContact CG-CE1 3.7Å; F25-F231 HydrophobicContact CG-CE1 3.7Å; F25-F231 HydrophobicContact CG-CE2 4.37Å; F25-F231 AromaticContact CG-CG 3.51Å; F25-F231 HydrophobicContact CG-CG 3.51Å; F25-F231 HydrophobicContact CG-CZ 4.22Å; F25-F231 HydrophobicContact CZ-CB 3.5Å; F25-F231 VanDerWaalsContact CZ-CB 3.5Å; F25-F231 HydrophobicContact CZ-CD2 4.26Å; F25-F231 AromaticContact CZ-CG 3.85Å; F25-F231 HydrophobicContact CZ-CG 3.85Å; F25-P242 WeakPolarHBondContact CE2-O 3.49Å; F25-I244 HydrophobicContact CE2-CG2 4.49Å; F25-I244 HydrophobicContact CZ-CG2 3.9Å
26C96.5Very high97.6Very high16 Ų1619.7 Ų19.711%0.1089%0.092CC..  trans-84.1115.6176.9178.90000110.2F23 F28 C29 E30F23-C26 HydrophobicContact CB-CB 3.94Å; F23-C26 HydrophobicContact CD1-CB 3.98Å; F23-C26 HydrophobicContact CG-CB 4.47Å; F23-C26 VanDerWaalsContact O-CB 3.32Å; F23-C26 WeakPolarHBondContact O-CB 3.28Å; F23-C26 PolarHBondContact O-N 2.95Å; C26-F28 PolarHBondContact O-N 3.01Å; C26-C29 HydrophobicContact CB-CB 4Å; C26-C29 WeakPolarHBondContact O-CA 3.26Å; C26-C29 WeakPolarHBondContact O-CB 3.49Å; C26-C29 PolarHBondContact O-N 3.27Å; C26-E30 PolarHBondContact O-N 3.2Å
27P97.7Very high97.7Very high6 Ų615.4 Ų15.44%0.0397%0.072CC..Hα-helixtrans-66-26-179.626.6-34.4000112.7F25 C29 E30 R31 F116 P166 M167 Y170F25-P27 WeakPolarHBondContact O-CD 3.21Å; P27-C29 VanDerWaalsContact C-N 3.31Å; P27-C29 PolarHBondContact O-N 3.35Å; P27-E30 PolarHBondContact O-N 3.11Å; P27-R31 PolarHBondContact O-N 3.18Å; P27-F116 HydrophobicContact CG-CE1 3.92Å; P27-F116 HydrophobicContact CG-CE2 3.89Å; P27-F116 HydrophobicContact CG-CZ 3.51Å; P27-P166 HydrophobicContact CB-CB 4.08Å; P27-P166 WeakPolarHBondContact CB-O 3.35Å; P27-P166 WeakPolarHBondContact O-CB 3.5Å; P27-M167 HydrophobicContact CB-CE 4.04Å; P27-M167 HydrophobicContact CB-SD 3.66Å; P27-M167 HydrophobicContact CG-CE 4.03Å; P27-M167 HydrophobicContact CG-SD 3.62Å; P27-Y170 HydrophobicContact CB-CE2 4.25Å; P27-Y170 HydrophobicContact CG-CE2 4.42Å
28F98.2Very high97.8Very high85 Ų8515.5 Ų15.537%0.3737%0.073SC..Hα-helixtrans-66.7-32.4171.1-57.8-87.2000112.3C26 R31 P67 S79 F116 M167C26-F28 PolarHBondContact O-N 3.01Å; F28-R31 WeakPolarHBondContact O-CB 3.29Å; F28-P67 WeakPolarHBondContact O-CG 3.49Å; F28-S79 VanDerWaalsContact O-CB 3.29Å; F28-S79 WeakPolarHBondContact O-CB 3.46Å; F28-F116 HydrophobicContact CE2-CE1 4.47Å; F28-M167 HydrophobicContact CD1-CE 3.51Å; F28-M167 HydrophobicContact CD2-CE 3.98Å; F28-M167 HydrophobicContact CE1-CE 3.37Å; F28-M167 HydrophobicContact CE2-CE 3.85Å; F28-M167 HydrophobicContact CG-CE 3.81Å; F28-M167 HydrophobicContact CZ-CE 3.55Å
29C98.4Very high97.7Very high1 Ų114.5 Ų14.51%0.0077%0.069CC..Hα-helixtrans-74.3-38.1172.6-63.20000111.2A22 C26 P27 R31 V32 K33 V66A22-C29 HydrophobicContact CB-CB 3.8Å; C26-C29 HydrophobicContact CB-CB 4Å; C26-C29 WeakPolarHBondContact O-CA 3.26Å; C26-C29 WeakPolarHBondContact O-CB 3.49Å; C26-C29 PolarHBondContact O-N 3.27Å; P27-C29 VanDerWaalsContact C-N 3.31Å; P27-C29 PolarHBondContact O-N 3.35Å; C29-R31 VanDerWaalsContact C-N 3.29Å; C29-R31 PolarHBondContact O-N 3.45Å; C29-V32 PolarHBondContact O-N 3.27Å; C29-V32 VanDerWaalsContact O-N 3.14Å; C29-K33 WeakPolarHBondContact O-CG 3.43Å; C29-K33 PolarHBondContact O-N 2.97Å; C29-V66 VanDerWaalsContact SG-CG2 3.59Å
30E98.2Very high97.7Very high5 Ų523.5 Ų23.52%0.02311%0.109CC..Hα-helixtrans-61.2-36.1177-174.4165.5-14400111.9C26 P27 V32 K33 L34 P166 K228C26-E30 PolarHBondContact O-N 3.2Å; P27-E30 PolarHBondContact O-N 3.11Å; E30-V32 PolarHBondContact O-N 3.02Å; E30-K33 PolarHBondContact O-N 3.22Å; E30-L34 HydrophobicContact CG-CD1 4.35Å; E30-L34 HydrophobicContact CG-CG 4.32Å; E30-L34 WeakPolarHBondContact O-CB 3.16Å; E30-L34 WeakPolarHBondContact O-CG 3.4Å; E30-L34 PolarHBondContact O-N 3.05Å; E30-P166 HydrophobicContact CB-CB 4.03Å; E30-P166 HydrophobicContact CB-CG 4.39Å; E30-P166 HydrophobicContact CG-CB 4.06Å; E30-P166 HydrophobicContact CG-CG 4.17Å; E30-K228 IonicContact OE1-NZ 2.88Å; E30-K228 IonicContact OE2-NZ 2.78Å; E30-K228 PolarHBondContact OE2-NZ 3.29Å
31R98.5Very high97.6Very high9 Ų924.5 Ų24.53%0.03411%0.114CC..Hα-helixtrans-48.3-54.2167.8-78177.3177171.5-5.9113P27 F28 C29 L34 T35 S79 M83 S112 I163 P166P27-R31 PolarHBondContact O-N 3.18Å; F28-R31 WeakPolarHBondContact O-CB 3.29Å; C29-R31 VanDerWaalsContact C-N 3.29Å; C29-R31 PolarHBondContact O-N 3.45Å; R31-L34 PolarHBondContact O-N 2.9Å; R31-T35 PolarHBondContact O-N 2.83Å; R31-T35 VanDerWaalsContact O-N 3.13Å; R31-T35 PolarHBondContact O-OG1 2.79Å; R31-S79 WeakPolarHBondContact CD-OG 3.46Å; R31-S79 PolarHBondContact NH1-OG 2.9Å; R31-M83 HydrophobicContact CB-CG 4.28Å; R31-M83 HydrophobicContact CB-SD 3.61Å; R31-M83 HydrophobicContact CG-SD 3.98Å; R31-S112 PolarHBondContact NH2-OG 2.9Å; R31-I163 VanDerWaalsContact CZ-CG1 3.49Å; R31-I163 VanDerWaalsContact CZ-O 3.31Å; R31-I163 PolarHBondContact NE-O 2.69Å; R31-I163 PolarHBondContact NH2-O 3.41Å; R31-P166 HydrophobicContact CG-CB 4.23Å; R31-P166 HydrophobicContact CG-CG 3.84Å
32V98.7Very high97.5Very high0 Ų030 Ų300%014%0.143CC..Hα-helixtrans-67.6-42.6-178.7178.30000110.9L20 C29 E30 L34 T35 L36 P67 I82 L86L20-V32 HydrophobicContact CD1-CB 4.37Å; L20-V32 HydrophobicContact CD1-CG1 3.83Å; L20-V32 HydrophobicContact CD2-CB 4.5Å; L20-V32 HydrophobicContact CD2-CG1 4.12Å; C29-V32 PolarHBondContact O-N 3.27Å; C29-V32 VanDerWaalsContact O-N 3.14Å; E30-V32 PolarHBondContact O-N 3.02Å; V32-L34 VanDerWaalsContact C-N 3.33Å; V32-L34 PolarHBondContact O-N 2.84Å; V32-T35 PolarHBondContact O-N 3.23Å; V32-L36 HydrophobicContact CG1-CD1 3.9Å; V32-L36 HydrophobicContact CG1-CG 4.34Å; V32-L36 WeakPolarHBondContact O-CG 3.46Å; V32-L36 PolarHBondContact O-N 3.46Å; V32-P67 HydrophobicContact CB-CB 4.41Å; V32-P67 HydrophobicContact CG2-CB 3.84Å; V32-P67 HydrophobicContact CG2-CG 3.75Å; V32-I82 HydrophobicContact CB-CG2 4.28Å; V32-I82 HydrophobicContact CG1-CG2 3.56Å; V32-I82 HydrophobicContact CG2-CB 3.93Å; V32-I82 HydrophobicContact CG2-CD1 4.17Å; V32-I82 HydrophobicContact CG2-CG2 3.71Å; V32-L86 HydrophobicContact CG1-CD1 3.94Å
33K98.6Very high97.5Very high22 Ų2232.6 Ų32.610%0.09615%0.153CC..Hα-helixtrans-59.1-42.6177-71.6177.962.8-163.60112.2L20 C29 E30 L36 S37 I221L20-K33 HydrophobicContact CD2-CG 3.63Å; C29-K33 WeakPolarHBondContact O-CG 3.43Å; C29-K33 PolarHBondContact O-N 2.97Å; E30-K33 PolarHBondContact O-N 3.22Å; K33-L36 PolarHBondContact O-N 3.34Å; K33-S37 VanDerWaalsContact O-CB 3.26Å; K33-S37 WeakPolarHBondContact O-CB 3.36Å; K33-S37 PolarHBondContact O-N 2.73Å; K33-I221 HydrophobicContact CB-CD1 3.75Å; K33-I221 PolarHBondContact NZ-O 3.27Å; K33-I221 WeakPolarHBondContact O-CD1 3.36Å
34L98.6Very high97.5Very high0 Ų034.5 Ų34.50%016%0.164CC..Hα-helixtrans-65.9-41.2177.8-72.3-179.6000111.6E30 R31 V32 S37 Y38 L162 F165 P166 F217 V218 I221E30-L34 HydrophobicContact CG-CD1 4.35Å; E30-L34 HydrophobicContact CG-CG 4.32Å; E30-L34 WeakPolarHBondContact O-CB 3.16Å; E30-L34 WeakPolarHBondContact O-CG 3.4Å; E30-L34 PolarHBondContact O-N 3.05Å; R31-L34 PolarHBondContact O-N 2.9Å; V32-L34 VanDerWaalsContact C-N 3.33Å; V32-L34 PolarHBondContact O-N 2.84Å; L34-S37 PolarHBondContact O-N 3.33Å; L34-Y38 WeakPolarHBondContact O-CB 3.19Å; L34-Y38 PolarHBondContact O-N 3.35Å; L34-L162 HydrophobicContact CB-CD2 4.35Å; L34-L162 HydrophobicContact CB-CG 4.25Å; L34-F165 HydrophobicContact CD1-CD1 3.8Å; L34-F165 HydrophobicContact CD1-CE1 4.35Å; L34-P166 HydrophobicContact CD1-CG 3.75Å; L34-F217 HydrophobicContact CB-CE2 4.27Å; L34-F217 HydrophobicContact CD2-CD2 4.16Å; L34-F217 HydrophobicContact CD2-CE2 4.2Å; L34-V218 HydrophobicContact CD2-CB 4.15Å; L34-V218 HydrophobicContact CD2-CG1 4.32Å; L34-V218 HydrophobicContact CD2-CG2 3.83Å; L34-I221 HydrophobicContact CD2-CD1 3.75Å; L34-I221 HydrophobicContact CD2-CG1 3.97Å; L34-I221 HydrophobicContact CG-CD1 4.39Å
35T98.5Very high97.6Very high0 Ų037.2 Ų37.20%018%0.177CC..Hα-helixtrans-64-44.1175.6-55.30000111.8R31 V32 S37 Y38 H39 M83 L86R31-T35 PolarHBondContact O-N 2.83Å; R31-T35 VanDerWaalsContact O-N 3.13Å; R31-T35 PolarHBondContact O-OG1 2.79Å; V32-T35 PolarHBondContact O-N 3.23Å; T35-S37 VanDerWaalsContact C-N 3.35Å; T35-S37 PolarHBondContact O-N 2.95Å; T35-Y38 PolarHBondContact O-N 3.25Å; T35-H39 WeakPolarHBondContact O-CB 3.36Å; T35-H39 PolarHBondContact O-CD2 2.87Å; T35-H39 PolarHBondContact O-N 3.43Å; T35-H39 VanDerWaalsContact O-N 3.1Å; T35-M83 WeakPolarHBondContact OG1-CG 3.43Å; T35-L86 HydrophobicContact CG2-CB 3.69Å; T35-L86 HydrophobicContact CG2-CD1 4.26Å
36L98.1Very high97.7Very high0 Ų037.7 Ų37.70%018%0.18CC..Hα-helixtrans-59.3-45.4173.9-71.1165.6000111.6L20 V32 K33 K40 I41 Y43 L86L20-L36 HydrophobicContact CD2-CD1 4.03Å; V32-L36 HydrophobicContact CG1-CD1 3.9Å; V32-L36 HydrophobicContact CG1-CG 4.34Å; V32-L36 WeakPolarHBondContact O-CG 3.46Å; V32-L36 PolarHBondContact O-N 3.46Å; K33-L36 PolarHBondContact O-N 3.34Å; L36-K40 PolarHBondContact O-N 3.09Å; L36-I41 HydrophobicContact CD2-CB 3.82Å; L36-I41 HydrophobicContact CD2-CD1 4.42Å; L36-I41 HydrophobicContact CD2-CG2 3.71Å; L36-I41 PolarHBondContact O-N 2.8Å; L36-Y43 HydrophobicContact CB-CD1 4.08Å; L36-Y43 HydrophobicContact CB-CE1 3.97Å; L36-Y43 HydrophobicContact CD1-CD1 3.84Å; L36-Y43 HydrophobicContact CD1-CD2 3.9Å; L36-Y43 HydrophobicContact CD1-CE1 3.95Å; L36-Y43 HydrophobicContact CD1-CE2 4.01Å; L36-Y43 HydrophobicContact CD1-CG 3.82Å; L36-Y43 HydrophobicContact CD2-CD1 4.41Å; L36-Y43 HydrophobicContact CG-CD1 4.33Å; L36-L86 HydrophobicContact CD2-CD1 3.63Å; L36-L86 HydrophobicContact CD2-CD2 3.66Å; L36-L86 HydrophobicContact CD2-CG 4.28Å; L36-L86 HydrophobicContact CG-CD1 3.69Å
37S98Very high97.7Very high30 Ų3037.6 Ų37.621%0.2118%0.178CC..Hα-helixtrans-63.3-47.6179.6-173.50000112.1K33 L34 T35 H39 K40 F217K33-S37 VanDerWaalsContact O-CB 3.26Å; K33-S37 WeakPolarHBondContact O-CB 3.36Å; K33-S37 PolarHBondContact O-N 2.73Å; L34-S37 PolarHBondContact O-N 3.33Å; T35-S37 VanDerWaalsContact C-N 3.35Å; T35-S37 PolarHBondContact O-N 2.95Å; S37-H39 PolarHBondContact O-N 3.07Å; S37-K40 PolarHBondContact O-N 2.79Å; S37-K40 VanDerWaalsContact O-N 3.15Å; S37-F217 WeakPolarHBondContact OG-CA 3.37Å; S37-F217 WeakPolarHBondContact OG-CB 3.43Å; S37-F217 PolarHBondContact OG-O 3.44Å
38Y97.7Very high97.7Very high82 Ų8237.3 Ų37.332%0.32218%0.176SC..Hα-helixtrans-58.8-47.8178.1178.7-94.4000111.9L34 T35 K40 L96 L157 F217L34-Y38 WeakPolarHBondContact O-CB 3.19Å; L34-Y38 PolarHBondContact O-N 3.35Å; T35-Y38 PolarHBondContact O-N 3.25Å; Y38-K40 PolarHBondContact O-N 2.88Å; Y38-L96 HydrophobicContact CD1-CD1 3.53Å; Y38-L96 HydrophobicContact CD1-CD2 4.45Å; Y38-L96 HydrophobicContact CD1-CG 3.97Å; Y38-L96 HydrophobicContact CD2-CD1 4.34Å; Y38-L96 HydrophobicContact CE1-CD1 3.63Å; Y38-L96 HydrophobicContact CE1-CD2 3.7Å; Y38-L96 HydrophobicContact CE1-CG 3.53Å; Y38-L96 HydrophobicContact CE2-CD1 4.43Å; Y38-L96 HydrophobicContact CE2-CD2 4.2Å; Y38-L96 HydrophobicContact CG-CD1 3.91Å; Y38-L157 HydrophobicContact CD2-CD2 3.71Å; Y38-L157 HydrophobicContact CE2-CD2 3.45Å; Y38-L157 VanDerWaalsContact CE2-CD2 3.45Å; Y38-F217 AromaticContact CD2-CD1 3.92Å; Y38-F217 HydrophobicContact CD2-CD1 3.92Å; Y38-F217 HydrophobicContact CD2-CD2 4.49Å; Y38-F217 AromaticContact CD2-CE1 3.9Å; Y38-F217 HydrophobicContact CD2-CE1 3.9Å; Y38-F217 HydrophobicContact CD2-CE2 4.46Å; Y38-F217 HydrophobicContact CD2-CG 4.23Å; Y38-F217 HydrophobicContact CD2-CZ 4.19Å
39H97.2Very high97.5Very high13 Ų1333.9 Ų33.96%0.0616%0.163CC..THydrogen-bonded Turntrans-79.6-1.7-179.5-77.1-68000114T35 S37 I41 D87 N90 T94T35-H39 WeakPolarHBondContact O-CB 3.36Å; T35-H39 PolarHBondContact O-CD2 2.87Å; T35-H39 PolarHBondContact O-N 3.43Å; T35-H39 VanDerWaalsContact O-N 3.1Å; S37-H39 PolarHBondContact O-N 3.07Å; H39-I41 HydrophobicContact CB-CD1 3.61Å; H39-I41 HydrophobicContact CB-CG1 3.75Å; H39-I41 PolarHBondContact O-N 2.92Å; H39-D87 IonicContact CD2-OD1 2.65Å; H39-D87 IonicContact CE1-OD1 3.04Å; H39-D87 PolarHBondContact CE1-OD1 2.85Å; H39-D87 WeakPolarHBondContact NE2-CA 3.12Å; H39-D87 IonicContact NE2-OD1 3.7Å; H39-D87 PolarHBondContact NE2-OD1 3.39Å; H39-N90 WeakPolarHBondContact CB-ND2 3.46Å; H39-N90 PolarHBondContact ND1-ND2 3.41Å; H39-N90 PolarHBondContact O-ND2 3.32Å; H39-T94 PolarHBondContact CE1-O 3.13Å
40K96.4Very high97.2Very high191 Ų19136.4 Ų36.483%0.8318%0.176SC*.THydrogen-bonded Turntrans5240-176.7-56.3-179.9-179179.50112.3L36 S37 Y38L36-K40 PolarHBondContact O-N 3.09Å; S37-K40 PolarHBondContact O-N 2.79Å; S37-K40 VanDerWaalsContact O-N 3.15Å; Y38-K40 PolarHBondContact O-N 2.88Å
41I96.4Very high96.7Very high21 Ų2141.1 Ų41.111%0.10820%0.202CC..  trans-82.9123.2178.5-64.5165.8000108Y18 L36 H39 Y43 L86 L89Y18-I41 HydrophobicContact CD2-CG2 3.56Å; Y18-I41 HydrophobicContact CE2-CG2 3.83Å; Y18-I41 HydrophobicContact CG-CG2 4.3Å; L36-I41 HydrophobicContact CD2-CB 3.82Å; L36-I41 HydrophobicContact CD2-CD1 4.42Å; L36-I41 HydrophobicContact CD2-CG2 3.71Å; L36-I41 PolarHBondContact O-N 2.8Å; H39-I41 HydrophobicContact CB-CD1 3.61Å; H39-I41 HydrophobicContact CB-CG1 3.75Å; H39-I41 PolarHBondContact O-N 2.92Å; I41-Y43 WeakPolarHBondContact O-CD1 3.26Å; I41-L86 HydrophobicContact CD1-CB 4.26Å; I41-L86 HydrophobicContact CD1-CD2 3.91Å; I41-L89 HydrophobicContact CD1-CD1 3.88Å
42D96.5Very high96.4Very high116 Ų11644.1 Ų44.162%0.6222%0.218SC*.  trans-75.4131.1-179.8-146.547.9000110.3R17R17-D42 IonicContact CZ-OD2 3.13Å; R17-D42 IonicContact NH1-OD2 3.52Å; R17-D42 PolarHBondContact NH1-OD2 3.21Å; R17-D42 IonicContact NH2-OD2 2.69Å; R17-D42 PolarHBondContact NH2-OD2 2.86Å
43Y97.6Very high96.2Very high54 Ų5448.2 Ų48.221%0.21224%0.236CC..EExtended strand (participates in β ladder)trans-152.8155-17573.8-76.9000112.2Y18 L20 L36 I41 L45Y18-Y43 CarbonylContact O-C 3.59Å; Y18-Y43 WeakPolarHBondContact O-CA 3.29Å; L20-Y43 HydrophobicContact CB-CD2 3.76Å; L20-Y43 HydrophobicContact CB-CE2 3.96Å; L20-Y43 HydrophobicContact CD2-CE2 4.08Å; L36-Y43 HydrophobicContact CB-CD1 4.08Å; L36-Y43 HydrophobicContact CB-CE1 3.97Å; L36-Y43 HydrophobicContact CD1-CD1 3.84Å; L36-Y43 HydrophobicContact CD1-CD2 3.9Å; L36-Y43 HydrophobicContact CD1-CE1 3.95Å; L36-Y43 HydrophobicContact CD1-CE2 4.01Å; L36-Y43 HydrophobicContact CD1-CG 3.82Å; L36-Y43 HydrophobicContact CD2-CD1 4.41Å; L36-Y43 HydrophobicContact CG-CD1 4.33Å; I41-Y43 WeakPolarHBondContact O-CD1 3.26Å; Y43-L45 HydrophobicContact CE2-CB 3.97Å; Y43-L45 HydrophobicContact CE2-CD1 4.23Å
44D97.4Very high96.1Very high55 Ų5547.2 Ų47.229%0.29423%0.232SC..EExtended strand (participates in β ladder)trans-92.1138.9171-55.6-32.1000109.8R17 Y18 T19 L20R17-D44 IonicContact CZ-OD1 3.81Å; R17-D44 IonicContact NE-OD1 3.09Å; R17-D44 PolarHBondContact NE-OD1 3.04Å; R17-D44 VanDerWaalsContact NE-OD1 3.13Å; R17-D44 IonicContact NE-OD2 3.95Å; R17-D44 PolarHBondContact NE-OD2 3.15Å; R17-D44 VanDerWaalsContact NE-OD2 3.09Å; R17-D44 IonicContact NH2-OD1 3.38Å; R17-D44 PolarHBondContact NH2-OD1 3.01Å; Y18-D44 PolarHBondContact O-N 2.98Å; T19-D44 CarbonylContact C-O 2.94Å; T19-D44 VanDerWaalsContact CA-O 3.29Å; T19-D44 WeakPolarHBondContact CA-O 3.44Å; T19-D44 HydrophobicContact CG2-CB 4.17Å; L20-D44 PolarHBondContact N-O 3.27Å
45L97.5Very high95.9Very high69 Ų6952.5 Ų52.536%0.36126%0.26SS..EExtended strand (participates in β ladder)trans-110120.8-178.7178.664.5000110.7L20 A22 Y43 L47L20-L45 HydrophobicContact CB-CD1 4.35Å; L20-L45 HydrophobicContact CD2-CD1 4.23Å; L20-L45 HydrophobicContact CG-CD1 4.28Å; A22-L45 HydrophobicContact CB-CD1 3.93Å; Y43-L45 HydrophobicContact CE2-CB 3.97Å; Y43-L45 HydrophobicContact CE2-CD1 4.23Å; L45-L47 HydrophobicContact CD1-CD2 4.12Å; L45-L47 HydrophobicContact CD2-CD2 4.21Å; L45-L47 HydrophobicContact CD2-CG 4.35Å; L45-L47 HydrophobicContact CG-CD2 4.2Å; L45-L47 HydrophobicContact CG-CG 4.26Å
46I97.3Very high95.8Very high16 Ų1653.5 Ų53.58%0.08226%0.264CS..EExtended strand (participates in β ladder)trans-112.4113172.9-62.8170.3000108.5L4 P11 V13 T19 L20 F21 A22 V48 W56L4-I46 HydrophobicContact CD1-CG2 3.85Å; P11-I46 HydrophobicContact CB-CD1 4.1Å; P11-I46 HydrophobicContact CG-CD1 3.64Å; P11-I46 HydrophobicContact CG-CG1 4.26Å; P11-I46 HydrophobicContact CG-CG2 3.92Å; V13-I46 HydrophobicContact CG2-CD1 3.93Å; T19-I46 HydrophobicContact CG2-CD1 3.46Å; T19-I46 VanDerWaalsContact CG2-CD1 3.46Å; T19-I46 HydrophobicContact CG2-CG1 3.9Å; L20-I46 PolarHBondContact O-N 3.34Å; F21-I46 CarbonylContact C-O 3.59Å; F21-I46 VanDerWaalsContact CA-O 3.31Å; F21-I46 WeakPolarHBondContact CA-O 3.18Å; F21-I46 HydrophobicContact CD1-CB 3.92Å; F21-I46 HydrophobicContact CD1-CD1 4.36Å; F21-I46 HydrophobicContact CD1-CG2 3.71Å; F21-I46 HydrophobicContact CE1-CB 4.04Å; F21-I46 HydrophobicContact CE1-CD1 3.67Å; F21-I46 HydrophobicContact CE1-CG1 4.47Å; F21-I46 HydrophobicContact CE1-CG2 3.73Å; F21-I46 HydrophobicContact CE2-CD1 4.16Å; F21-I46 HydrophobicContact CG-CB 4.41Å; F21-I46 HydrophobicContact CZ-CD1 3.58Å; A22-I46 PolarHBondContact N-O 3.45Å; I46-V48 HydrophobicContact CG2-CG1 4.17Å; I46-W56 HydrophobicContact CG2-CH2 4.26Å
47L97.2Very high95.7Very high14 Ų1453.5 Ų53.57%0.07326%0.264CS..EExtended strand (participates in β ladder)trans-87.5131.1176.2-66.2175.8000110.4M1 L4 A22 C24 L45M1-L47 HydrophobicContact CB-CD1 3.56Å; M1-L47 HydrophobicContact CG-CD1 3.81Å; M1-L47 HydrophobicContact SD-CD1 3.85Å; L4-L47 PolarHBondContact N-O 3.1Å; A22-L47 HydrophobicContact CB-CD2 4.25Å; A22-L47 CarbonylContact O-C 3.59Å; A22-L47 VanDerWaalsContact O-CA 3.27Å; A22-L47 WeakPolarHBondContact O-CA 3.47Å; C24-L47 HydrophobicContact CB-CD2 4.21Å; L45-L47 HydrophobicContact CD1-CD2 4.12Å; L45-L47 HydrophobicContact CD2-CD2 4.21Å; L45-L47 HydrophobicContact CD2-CG 4.35Å; L45-L47 HydrophobicContact CG-CD2 4.2Å; L45-L47 HydrophobicContact CG-CG 4.26Å
48V96.6Very high95.5Very high0 Ų057.1 Ų57.10%028%0.28CS..BIsolated β-bridgetrans-124.3140-179.9-63.20000111L4 F21 A22 F23 I46 L50 P54 W56 L57 V66L4-V48 CarbonylContact O-C 3.51Å; L4-V48 WeakPolarHBondContact O-CA 3.34Å; F21-V48 HydrophobicContact CD1-CG1 4.16Å; A22-V48 PolarHBondContact O-N 3.23Å; F23-V48 WeakPolarHBondContact CD2-O 3.48Å; I46-V48 HydrophobicContact CG2-CG1 4.17Å; V48-L50 HydrophobicContact CG2-CD2 4.36Å; V48-P54 HydrophobicContact CG1-CG 4.46Å; V48-W56 HydrophobicContact CG1-CH2 3.78Å; V48-W56 HydrophobicContact CG1-CZ3 4.46Å; V48-L57 HydrophobicContact CB-CD2 4.44Å; V48-L57 HydrophobicContact CG1-CD1 4.45Å; V48-L57 HydrophobicContact CG2-CD2 4.15Å; V48-V66 HydrophobicContact CG2-CG1 3.6Å
49S94Very high95.3Very high14 Ų1459 Ų5910%0.09829%0.29CS..  trans-70.7135.5173.1177.20000109.6L4 D52 K53L4-S49 PolarHBondContact O-N 3.22Å; S49-D52 WeakPolarHBondContact CB-O 3.27Å; S49-D52 PolarHBondContact OG-N 3.17Å; S49-D52 VanDerWaalsContact OG-N 3.12Å; S49-K53 WeakPolarHBondContact O-CA 3.42Å; S49-K53 WeakPolarHBondContact O-CG 3.37Å
50L91.9Very high95.1Very high53 Ų5359.9 Ų59.928%0.27729%0.293SS..SBendtrans-95.6-18176.1-60-174.7000113.5F23 V48 K53 V66F23-L50 HydrophobicContact CB-CD1 3.61Å; F23-L50 HydrophobicContact CB-CD2 4.39Å; F23-L50 HydrophobicContact CB-CG 3.78Å; F23-L50 HydrophobicContact CD1-CD1 3.87Å; F23-L50 HydrophobicContact CD1-CG 4.37Å; F23-L50 HydrophobicContact CD2-CD1 4.39Å; F23-L50 HydrophobicContact CD2-CG 4.01Å; F23-L50 HydrophobicContact CG-CD1 3.71Å; F23-L50 HydrophobicContact CG-CG 3.81Å; V48-L50 HydrophobicContact CG2-CD2 4.36Å; L50-K53 WeakPolarHBondContact O-CE 3.31Å; L50-V66 HydrophobicContact CD1-CG2 4.03Å; L50-V66 HydrophobicContact CD2-CG2 3.74Å; L50-V66 HydrophobicContact CG-CG2 4.43Å
51N89.2Confident94.9Very high105 Ų10550.8 Ų50.856%0.56125%0.254SS*.SBendtrans-88.5-26.4175.3-63.6-19.1000112.2S240N51-S240 WeakPolarHBondContact ND2-CB 3.48Å; N51-S240 PolarHBondContact ND2-OG 3.09Å; N51-S240 VanDerWaalsContact ND2-OG 3.09Å
52D92.2Very high94.6Very high71 Ų7155 Ų5538%0.3828%0.283SS..SBendtrans-137.168.6-178-175.124000108.8K5 N6 S49K5-D52 CarbonylContact C-O 3.55Å; K5-D52 WeakPolarHBondContact CA-O 2.99Å; K5-D52 HydrophobicContact CB-CB 4.31Å; K5-D52 WeakPolarHBondContact CB-O 3.49Å; N6-D52 WeakPolarHBondContact CB-OD1 3.37Å; N6-D52 PolarHBondContact N-O 3.42Å; N6-D52 VanDerWaalsContact N-O 3.09Å; S49-D52 WeakPolarHBondContact CB-O 3.27Å; S49-D52 PolarHBondContact OG-N 3.17Å; S49-D52 VanDerWaalsContact OG-N 3.12Å
53K94Very high94.3Very high86 Ų8655.3 Ų55.337%0.37428%0.282SS..  trans-66.3137.2-168.8-64.3-179.9-176-176.30110.9S49 L50 D55 G64S49-K53 WeakPolarHBondContact O-CA 3.42Å; S49-K53 WeakPolarHBondContact O-CG 3.37Å; L50-K53 WeakPolarHBondContact O-CE 3.31Å; K53-D55 PolarHBondContact O-N 2.92Å; K53-G64 WeakPolarHBondContact CE-O 3.43Å; K53-G64 PolarHBondContact NZ-O 3.46Å
54P95.9Very high94Very high2 Ų253 Ų531%0.01327%0.273CS..  trans-61133.4170.5-17.728.4000112L4 V48 W56 L57L4-P54 HydrophobicContact CB-CG 4.1Å; L4-P54 WeakPolarHBondContact O-CD 3.46Å; L4-P54 VanDerWaalsContact O-CG 3.26Å; L4-P54 WeakPolarHBondContact O-CG 3.37Å; V48-P54 HydrophobicContact CG1-CG 4.46Å; P54-W56 HydrophobicContact CB-CD2 3.81Å; P54-W56 HydrophobicContact CB-CE3 4.49Å; P54-W56 HydrophobicContact CB-CG 4.15Å; P54-W56 HydrophobicContact CB-CH2 4.23Å; P54-W56 HydrophobicContact CB-CZ2 3.53Å; P54-W56 HydrophobicContact CG-CH2 4.09Å; P54-W56 HydrophobicContact CG-CZ2 3.58Å; P54-W56 PolarHBondContact O-N 3.37Å; P54-L57 WeakPolarHBondContact O-CB 3.49Å; P54-L57 PolarHBondContact O-N 3.44Å
55D95.3Very high93.9Very high111 Ų11154.9 Ų54.959%0.59428%0.279SS*.G310 helixtrans-56.3-34.9178.2-75-19.1000112.6N6 K53 L57 I58N6-D55 PolarHBondContact OD1-OD1 3.33Å; N6-D55 PolarHBondContact OD1-OD2 3.37Å; K53-D55 PolarHBondContact O-N 2.92Å; D55-L57 PolarHBondContact O-N 2.98Å; D55-I58 VanDerWaalsContact O-CG1 3.26Å; D55-I58 WeakPolarHBondContact O-CG1 3.28Å
56W95.9Very high93.9Very high20 Ų2052.6 Ų52.68%0.07627%0.268CS..G310 helixtrans-68.5-17.5178.855-105.8000113.5L4 D8 P9 E10 P11 F21 I46 V48 P54 I58 K59 Y60L4-W56 HydrophobicContact CB-CZ2 3.96Å; L4-W56 HydrophobicContact CD1-CH2 4Å; L4-W56 HydrophobicContact CD1-CZ2 3.61Å; L4-W56 HydrophobicContact CG-CZ2 4.44Å; D8-W56 PolarHBondContact O-NE1 2.78Å; P9-W56 PolarHBondContact O-NE1 3.2Å; E10-W56 HydrophobicContact CB-CB 4.02Å; E10-W56 HydrophobicContact CB-CD2 4.1Å; E10-W56 HydrophobicContact CB-CG 3.71Å; E10-W56 HydrophobicContact CG-CB 4.1Å; E10-W56 HydrophobicContact CG-CD2 4.09Å; E10-W56 HydrophobicContact CG-CE3 4.31Å; E10-W56 HydrophobicContact CG-CG 4Å; P11-W56 VanDerWaalsContact CD-CZ2 3.43Å; P11-W56 HydrophobicContact CG-CH2 4.02Å; P11-W56 HydrophobicContact CG-CZ2 4.22Å; P11-W56 HydrophobicContact CG-CZ3 4.5Å; F21-W56 HydrophobicContact CD1-CH2 4.43Å; F21-W56 HydrophobicContact CD1-CZ3 4.13Å; F21-W56 HydrophobicContact CE1-CH2 4.01Å; F21-W56 AromaticContact CE1-CZ3 3.55Å; F21-W56 HydrophobicContact CE1-CZ3 3.55Å; I46-W56 HydrophobicContact CG2-CH2 4.26Å; V48-W56 HydrophobicContact CG1-CH2 3.78Å; V48-W56 HydrophobicContact CG1-CZ3 4.46Å; P54-W56 HydrophobicContact CB-CD2 3.81Å; P54-W56 HydrophobicContact CB-CE3 4.49Å; P54-W56 HydrophobicContact CB-CG 4.15Å; P54-W56 HydrophobicContact CB-CH2 4.23Å; P54-W56 HydrophobicContact CB-CZ2 3.53Å; P54-W56 HydrophobicContact CG-CH2 4.09Å; P54-W56 HydrophobicContact CG-CZ2 3.58Å; P54-W56 PolarHBondContact O-N 3.37Å; W56-I58 PolarHBondContact O-N 3.41Å; W56-K59 HydrophobicContact CB-CD 4.44Å; W56-K59 VanDerWaalsContact O-CB 3.29Å; W56-K59 WeakPolarHBondContact O-CB 3.34Å; W56-K59 WeakPolarHBondContact O-CG 3.48Å; W56-K59 PolarHBondContact O-N 3.22Å; W56-K59 VanDerWaalsContact O-N 3.11Å; W56-Y60 HydrophobicContact CE3-CD2 4.24Å; W56-Y60 HydrophobicContact CE3-CE2 4.09Å
57L96.1Very high93.9Very high1 Ų152.1 Ų52.11%0.00527%0.266CS..G310 helixtrans-61.5-30.8-179.2-178.160.5000111.9F21 V48 P54 D55 K59 Y60 S61F21-L57 HydrophobicContact CD1-CD1 4.11Å; V48-L57 HydrophobicContact CB-CD2 4.44Å; V48-L57 HydrophobicContact CG1-CD1 4.45Å; V48-L57 HydrophobicContact CG2-CD2 4.15Å; P54-L57 WeakPolarHBondContact O-CB 3.49Å; P54-L57 PolarHBondContact O-N 3.44Å; D55-L57 PolarHBondContact O-N 2.98Å; L57-K59 PolarHBondContact O-N 3.46Å; L57-Y60 PolarHBondContact O-N 3.13Å; L57-S61 PolarHBondContact O-N 3.31Å
58I93.9Very high93.9Very high106 Ų10651.4 Ų51.454%0.54426%0.262SS..G310 helixtrans-62.7-24.118075.2-170.1000112.8D55 W56 Y60 S61D55-I58 VanDerWaalsContact O-CG1 3.26Å; D55-I58 WeakPolarHBondContact O-CG1 3.28Å; W56-I58 PolarHBondContact O-N 3.41Å; I58-Y60 PolarHBondContact O-N 2.9Å; I58-S61 WeakPolarHBondContact CA-O 3.49Å
59K92Very high94Very high120 Ų12051.4 Ų51.452%0.52226%0.262SS..G310 helixtrans-63.1-30.4174.4-60.5177.7-175.8177.70111.4E10 W56 L57 K75E10-K59 IonicContact OE1-NZ 3.42Å; E10-K59 IonicContact OE2-NZ 3.47Å; E10-K59 PolarHBondContact OE2-NZ 3.14Å; W56-K59 HydrophobicContact CB-CD 4.44Å; W56-K59 VanDerWaalsContact O-CB 3.29Å; W56-K59 WeakPolarHBondContact O-CB 3.34Å; W56-K59 WeakPolarHBondContact O-CG 3.48Å; W56-K59 PolarHBondContact O-N 3.22Å; W56-K59 VanDerWaalsContact O-N 3.11Å; L57-K59 PolarHBondContact O-N 3.46Å; K59-K75 PolarHBondContact O-NZ 3.25Å
60Y93.1Very high94.2Very high32 Ų3251.2 Ų51.213%0.12526%0.26CS..THydrogen-bonded Turntrans-100.8-40.5-177.4-59.1-88.9000112.7E10 V13 F21 W56 L57 I58 L68 M70 K75E10-Y60 HydrophobicContact CG-CE2 4.49Å; E10-Y60 WeakPolarHBondContact OE1-CE2 3.4Å; E10-Y60 PolarHBondContact OE1-OH 2.92Å; E10-Y60 VanDerWaalsContact OE1-OH 3.14Å; V13-Y60 HydrophobicContact CG2-CE1 4.19Å; V13-Y60 WeakPolarHBondContact CG2-OH 3.24Å; F21-Y60 HydrophobicContact CE2-CD1 4.36Å; F21-Y60 HydrophobicContact CZ-CD1 4.31Å; F21-Y60 HydrophobicContact CZ-CD2 4.33Å; F21-Y60 HydrophobicContact CZ-CE1 4.27Å; F21-Y60 HydrophobicContact CZ-CE2 4.3Å; F21-Y60 HydrophobicContact CZ-CG 4.32Å; W56-Y60 HydrophobicContact CE3-CD2 4.24Å; W56-Y60 HydrophobicContact CE3-CE2 4.09Å; L57-Y60 PolarHBondContact O-N 3.13Å; I58-Y60 PolarHBondContact O-N 2.9Å; Y60-L68 HydrophobicContact CG-CD2 4.32Å; Y60-M70 HydrophobicContact CD1-CE 4.18Å; Y60-M70 HydrophobicContact CD1-SD 3.67Å; Y60-M70 HydrophobicContact CE1-CE 4.36Å; Y60-M70 HydrophobicContact CE1-SD 4.25Å; Y60-K75 WeakPolarHBondContact O-CD 3.42Å
61S92.7Very high94.4Very high1 Ų149.9 Ų49.91%0.00725%0.253CS..  trans-132.5100.7179.8-1780000107.8L57 I58 M63 G64 K65L57-S61 PolarHBondContact O-N 3.31Å; I58-S61 WeakPolarHBondContact CA-O 3.49Å; S61-M63 PolarHBondContact O-N 2.87Å; S61-G64 WeakPolarHBondContact O-CA 3.3Å; S61-G64 PolarHBondContact O-N 2.93Å; S61-K65 WeakPolarHBondContact CB-O 3.37Å; S61-K65 PolarHBondContact OG-N 3.37Å; S61-K65 PolarHBondContact OG-O 3.48Å
62P90.6Very high94.5Very high110 Ų11049.5 Ų49.571%0.71425%0.248SC*.THydrogen-bonded Turntrans-55.6-29.5-174.1-29.936.1000114.4G64P62-G64 VanDerWaalsContact C-N 3.34Å
63M89.9Confident94.3Very high122 Ų12248 Ų4860%0.60125%0.249SC*.THydrogen-bonded Turntrans-892.3175.4-66.9-175.9-79.400113.6S61 K65S61-M63 PolarHBondContact O-N 2.87Å; M63-K65 HydrophobicContact CB-CD 4.24Å; M63-K65 HydrophobicContact CB-CG 3.86Å; M63-K65 HydrophobicContact CE-CD 3.95Å; M63-K65 PolarHBondContact O-N 3.48Å; M63-K65 HydrophobicContact SD-CD 4.36Å
64G92Very high94.2Very high4 Ų449.2 Ų49.24%0.04126%0.259CS..  trans55.938.4-172.500000112.2K53 S61 P62K53-G64 WeakPolarHBondContact CE-O 3.43Å; K53-G64 PolarHBondContact NZ-O 3.46Å; S61-G64 WeakPolarHBondContact O-CA 3.3Å; S61-G64 PolarHBondContact O-N 2.93Å; P62-G64 VanDerWaalsContact C-N 3.34Å
65K93.9Very high94.2Very high95 Ų9554.3 Ų54.341%0.41328%0.282SS..  trans-91147.2179-73.3-173.5-178-177.10111S61 M63S61-K65 WeakPolarHBondContact CB-O 3.37Å; S61-K65 PolarHBondContact OG-N 3.37Å; S61-K65 PolarHBondContact OG-O 3.48Å; M63-K65 HydrophobicContact CB-CD 4.24Å; M63-K65 HydrophobicContact CB-CG 3.86Å; M63-K65 HydrophobicContact CE-CD 3.95Å; M63-K65 PolarHBondContact O-N 3.48Å; M63-K65 HydrophobicContact SD-CD 4.36Å
66V97.3Very high94.3Very high21 Ų2151.4 Ų51.413%0.12727%0.266CS..SBendtrans-128.8155.3168.2-64.30000108.8F21 F23 C29 V48 L50F21-V66 HydrophobicContact CB-CG1 4.27Å; F23-V66 HydrophobicContact CB-CG2 4.17Å; C29-V66 VanDerWaalsContact SG-CG2 3.59Å; V48-V66 HydrophobicContact CG2-CG1 3.6Å; L50-V66 HydrophobicContact CD1-CG2 4.03Å; L50-V66 HydrophobicContact CD2-CG2 3.74Å; L50-V66 HydrophobicContact CG-CG2 4.43Å
67P98.4Very high94.2Very high6 Ų652.9 Ų52.94%0.03928%0.275CS..  cis-66.3146.4-1.529.8-36.6000112.3L20 F28 V32 I82L20-P67 HydrophobicContact CD1-CB 3.95Å; F28-P67 WeakPolarHBondContact O-CG 3.49Å; V32-P67 HydrophobicContact CB-CB 4.41Å; V32-P67 HydrophobicContact CG2-CB 3.84Å; V32-P67 HydrophobicContact CG2-CG 3.75Å; P67-I82 HydrophobicContact CB-CD1 4.15Å; P67-I82 HydrophobicContact CG-CD1 4.08Å
68L98Very high94.2Very high0 Ų057.2 Ų57.20%030%0.295CS..EExtended strand (participates in β ladder)trans-129.4123.5166.6159.581.6000106.4F21 Y60 M70 K75 L76 L77F21-L68 HydrophobicContact CB-CB 4.12Å; F21-L68 HydrophobicContact CB-CD2 4.18Å; F21-L68 HydrophobicContact CD2-CD2 3.59Å; F21-L68 HydrophobicContact CD2-CG 4.13Å; F21-L68 HydrophobicContact CE2-CD2 4.14Å; F21-L68 HydrophobicContact CG-CD2 3.94Å; F21-L68 PolarHBondContact N-O 3.01Å; F21-L68 PolarHBondContact O-N 3.02Å; Y60-L68 HydrophobicContact CG-CD2 4.32Å; L68-M70 HydrophobicContact CD2-SD 4.4Å; L68-K75 HydrophobicContact CD1-CB 4.04Å; L68-K75 HydrophobicContact CD1-CG 4.39Å; L68-L76 WeakPolarHBondContact CA-O 3.37Å; L68-L77 HydrophobicContact CB-CD2 3.94Å; L68-L77 HydrophobicContact CD1-CD2 3.87Å; L68-L77 HydrophobicContact CD1-CG 4Å
69L98.3Very high94.4Very high0 Ų052.4 Ų52.40%027%0.271CS..EExtended strand (participates in β ladder)trans-103122.8173.6-177.971000108.8Y18 L20 L76 I82 F85 L86Y18-L69 HydrophobicContact CD1-CD1 4.3Å; Y18-L69 HydrophobicContact CD1-CD2 4.18Å; Y18-L69 HydrophobicContact CD1-CG 4.39Å; L20-L69 HydrophobicContact CB-CD1 4.46Å; L69-L76 HydrophobicContact CB-CB 4.35Å; L69-L76 HydrophobicContact CD2-CD1 4.41Å; L69-L76 PolarHBondContact N-O 3.28Å; L69-L76 PolarHBondContact O-N 3.18Å; L69-I82 HydrophobicContact CB-CD1 4.23Å; L69-I82 HydrophobicContact CB-CG1 4.35Å; L69-I82 HydrophobicContact CB-CG2 3.95Å; L69-I82 HydrophobicContact CD2-CG2 3.76Å; L69-I82 HydrophobicContact CG-CG2 4.46Å; L69-F85 HydrophobicContact CD2-CD1 4.28Å; L69-F85 HydrophobicContact CD2-CE1 4.23Å; L69-L86 HydrophobicContact CD2-CD1 4.33Å; L69-L86 HydrophobicContact CD2-CD2 3.79Å; L69-L86 HydrophobicContact CD2-CG 4.16Å
70M97.6Very high94.7Very high9 Ų948.1 Ų48.14%0.04425%0.254CS..EExtended strand (participates in β ladder)trans-81.1121.6161.1-58.5-59-56.800107.9V13 Y18 T19 F21 Y60 L68 G73 D74 K75V13-M70 HydrophobicContact CG1-CB 4.28Å; V13-M70 HydrophobicContact CG1-CG 4.01Å; Y18-M70 VanDerWaalsContact CA-O 3.28Å; Y18-M70 WeakPolarHBondContact CA-O 3.5Å; T19-M70 PolarHBondContact N-O 3.35Å; T19-M70 PolarHBondContact O-N 2.9Å; F21-M70 HydrophobicContact CD2-CG 4.19Å; F21-M70 HydrophobicContact CE2-CG 3.63Å; F21-M70 HydrophobicContact CE2-SD 4.42Å; Y60-M70 HydrophobicContact CD1-CE 4.18Å; Y60-M70 HydrophobicContact CD1-SD 3.67Å; Y60-M70 HydrophobicContact CE1-CE 4.36Å; Y60-M70 HydrophobicContact CE1-SD 4.25Å; L68-M70 HydrophobicContact CD2-SD 4.4Å; M70-G73 WeakPolarHBondContact CE-O 3.31Å; M70-D74 CarbonylContact C-O 3.53Å; M70-D74 VanDerWaalsContact CA-O 3.3Å; M70-D74 WeakPolarHBondContact CA-O 3.42Å; M70-K75 HydrophobicContact CE-CG 3.79Å; M70-K75 HydrophobicContact SD-CG 3.64Å
71N95.3Very high94.9Very high25 Ų2551.1 Ų51.113%0.13427%0.272CS..EExtended strand (participates in β ladder)trans-113.794.2175.716932.4000108Y18 G73 D74 L76 F85Y18-N71 HydrophobicContact CD1-CB 4.25Å; Y18-N71 HydrophobicContact CE1-CB 3.98Å; Y18-N71 WeakPolarHBondContact CE1-OD1 3.3Å; N71-G73 PolarHBondContact O-N 2.67Å; N71-G73 VanDerWaalsContact O-N 3.12Å; N71-D74 PolarHBondContact N-O 3.02Å; N71-D74 WeakPolarHBondContact O-CB 3.45Å; N71-D74 PolarHBondContact O-N 3.35Å; N71-L76 HydrophobicContact CB-CD1 4.25Å; N71-F85 HydrophobicContact CB-CE1 4.39Å; N71-F85 HydrophobicContact CB-CZ 4.38Å; N71-F85 WeakPolarHBondContact ND2-CZ 3.38Å
72H91Very high95.2Very high98 Ų9851.1 Ų51.145%0.45427%0.271SS..THydrogen-bonded Turntrans50.142176.7-54.885.1000114P15 N16 Y18P15-H72 CarbonylContact O-C 3.49Å; P15-H72 WeakPolarHBondContact O-CA 3.42Å; N16-H72 VanDerWaalsContact C-CD2 3.48Å; N16-H72 PolarHBondContact O-CD2 2.73Å; N16-H72 VanDerWaalsContact O-CD2 3.22Å; N16-H72 PolarHBondContact O-NE2 2.97Å; Y18-H72 AromaticContact CE2-CE1 3.79Å; Y18-H72 AromaticContact CZ-CE1 3.62Å
73G88.4Confident95.5Very high39 Ų3945.9 Ų45.940%0.40224%0.237SC..THydrogen-bonded Turntrans96.2-22.3-17700000115.1P15 M70 N71P15-G73 PolarHBondContact O-N 3.11Å; M70-G73 WeakPolarHBondContact CE-O 3.31Å; N71-G73 PolarHBondContact O-N 2.67Å; N71-G73 VanDerWaalsContact O-N 3.12Å
74D93.5Very high95.9Very high111 Ų11143 Ų4359%0.59422%0.22SC*.EExtended strand (participates in β ladder)trans-81.6152174.6-69.1-36.4000112M70 N71M70-D74 CarbonylContact C-O 3.53Å; M70-D74 VanDerWaalsContact CA-O 3.3Å; M70-D74 WeakPolarHBondContact CA-O 3.42Å; N71-D74 PolarHBondContact N-O 3.02Å; N71-D74 WeakPolarHBondContact O-CB 3.45Å; N71-D74 PolarHBondContact O-N 3.35Å
75K94.9Very high96.1Very high110 Ų11045.4 Ų45.448%0.47823%0.229SC..EExtended strand (participates in β ladder)trans-108.5121.8-177.1-65.8162.9-174.9177.70109.9K59 Y60 L68 M70K59-K75 PolarHBondContact O-NZ 3.25Å; Y60-K75 WeakPolarHBondContact O-CD 3.42Å; L68-K75 HydrophobicContact CD1-CB 4.04Å; L68-K75 HydrophobicContact CD1-CG 4.39Å; M70-K75 HydrophobicContact CE-CG 3.79Å; M70-K75 HydrophobicContact SD-CG 3.64Å
76L96.5Very high96.3Very high50 Ų5040.9 Ų40.926%0.26221%0.21SC..EExtended strand (participates in β ladder)trans-114129.5171.7-64.2174.2000110.1L68 L69 N71 I82 F85L68-L76 WeakPolarHBondContact CA-O 3.37Å; L69-L76 HydrophobicContact CB-CB 4.35Å; L69-L76 HydrophobicContact CD2-CD1 4.41Å; L69-L76 PolarHBondContact N-O 3.28Å; L69-L76 PolarHBondContact O-N 3.18Å; N71-L76 HydrophobicContact CB-CD1 4.25Å; L76-I82 HydrophobicContact CB-CG1 3.88Å; L76-I82 WeakPolarHBondContact O-CD1 3.43Å; L76-F85 HydrophobicContact CD1-CB 4.25Å; L76-F85 HydrophobicContact CD1-CD1 3.42Å; L76-F85 VanDerWaalsContact CD1-CD1 3.42Å; L76-F85 HydrophobicContact CD1-CD2 4.15Å; L76-F85 HydrophobicContact CD1-CE1 3.74Å; L76-F85 HydrophobicContact CD1-CE2 4.41Å; L76-F85 HydrophobicContact CD1-CG 3.65Å; L76-F85 HydrophobicContact CD1-CZ 4.23Å
77L95.3Very high96.3Very high51 Ų5139.9 Ų39.927%0.26720%0.203SC..EExtended strand (participates in β ladder)trans-118.8174.1177.6-74.6162.5000109.2L68L68-L77 HydrophobicContact CB-CD2 3.94Å; L68-L77 HydrophobicContact CD1-CD2 3.87Å; L68-L77 HydrophobicContact CD1-CG 4Å
78E95.9Very high96.2Very high91 Ų9146 Ų4643%0.42523%0.231SC..SBendtrans65.1116.4-176.9-51.7-57.4145.900112.4D80 L81 I82E78-D80 VanDerWaalsContact C-N 3.27Å; E78-D80 PolarHBondContact O-N 2.87Å; E78-L81 HydrophobicContact CB-CB 4.32Å; E78-L81 HydrophobicContact CB-CD1 4.01Å; E78-L81 HydrophobicContact CB-CG 4.37Å; E78-L81 HydrophobicContact CG-CD1 4.34Å; E78-L81 PolarHBondContact O-N 2.97Å; E78-I82 WeakPolarHBondContact O-CG1 3.46Å; E78-I82 PolarHBondContact O-N 3.18Å
79S98.2Very high96Very high6 Ų649.3 Ų49.34%0.04225%0.249CC..Hα-helixtrans-58.1-38.9-169.461.10000112.9F28 R31 I82 M83F28-S79 VanDerWaalsContact O-CB 3.29Å; F28-S79 WeakPolarHBondContact O-CB 3.46Å; R31-S79 WeakPolarHBondContact CD-OG 3.46Å; R31-S79 PolarHBondContact NH1-OG 2.9Å; S79-I82 PolarHBondContact O-N 3.17Å; S79-M83 WeakPolarHBondContact O-CB 3.49Å; S79-M83 WeakPolarHBondContact O-CG 3.4Å; S79-M83 PolarHBondContact O-N 2.8Å
80D97.9Very high95.5Very high30 Ų3053.4 Ų53.416%0.1627%0.271CS..Hα-helixtrans-71.8-35.7-177.667.5-50.8000112.4E78 R84 F105 M109 I163E78-D80 VanDerWaalsContact C-N 3.27Å; E78-D80 PolarHBondContact O-N 2.87Å; D80-R84 WeakPolarHBondContact O-CG 3.26Å; D80-R84 PolarHBondContact O-N 3.3Å; D80-R84 VanDerWaalsContact O-N 3.11Å; D80-R84 IonicContact OD2-CZ 3.21Å; D80-R84 IonicContact OD2-NH1 3.27Å; D80-R84 PolarHBondContact OD2-NH1 3.44Å; D80-R84 IonicContact OD2-NH2 2.74Å; D80-R84 PolarHBondContact OD2-NH2 3.01Å; D80-F105 HydrophobicContact CB-CZ 4.28Å; D80-M109 HydrophobicContact CB-SD 4.16Å; D80-I163 HydrophobicContact CB-CD1 3.82Å
81L97.4Very high95.2Very high95 Ų9554.5 Ų54.550%0.49728%0.284SS..Hα-helixtrans-66.7-45.3172.8-75171.4000111.2E78 M83 R84 F85E78-L81 HydrophobicContact CB-CB 4.32Å; E78-L81 HydrophobicContact CB-CD1 4.01Å; E78-L81 HydrophobicContact CB-CG 4.37Å; E78-L81 HydrophobicContact CG-CD1 4.34Å; E78-L81 PolarHBondContact O-N 2.97Å; L81-M83 VanDerWaalsContact C-N 3.33Å; L81-M83 PolarHBondContact O-N 3.12Å; L81-R84 PolarHBondContact O-N 3.21Å; L81-F85 PolarHBondContact O-N 3.22Å
82I98.3Very high94.8Very high0 Ų061.1 Ų61.10%031%0.314CS..Hα-helixtrans-59.9-45.1176.1-63.4164.6000110.6V32 P67 L69 L76 E78 S79 R84 F85 L86V32-I82 HydrophobicContact CB-CG2 4.28Å; V32-I82 HydrophobicContact CG1-CG2 3.56Å; V32-I82 HydrophobicContact CG2-CB 3.93Å; V32-I82 HydrophobicContact CG2-CD1 4.17Å; V32-I82 HydrophobicContact CG2-CG2 3.71Å; P67-I82 HydrophobicContact CB-CD1 4.15Å; P67-I82 HydrophobicContact CG-CD1 4.08Å; L69-I82 HydrophobicContact CB-CD1 4.23Å; L69-I82 HydrophobicContact CB-CG1 4.35Å; L69-I82 HydrophobicContact CB-CG2 3.95Å; L69-I82 HydrophobicContact CD2-CG2 3.76Å; L69-I82 HydrophobicContact CG-CG2 4.46Å; L76-I82 HydrophobicContact CB-CG1 3.88Å; L76-I82 WeakPolarHBondContact O-CD1 3.43Å; E78-I82 WeakPolarHBondContact O-CG1 3.46Å; E78-I82 PolarHBondContact O-N 3.18Å; S79-I82 PolarHBondContact O-N 3.17Å; I82-R84 PolarHBondContact O-N 3.48Å; I82-F85 PolarHBondContact O-N 3.2Å; I82-L86 HydrophobicContact CG2-CD1 3.79Å; I82-L86 HydrophobicContact CG2-CG 4.23Å; I82-L86 WeakPolarHBondContact O-CB 3.48Å; I82-L86 VanDerWaalsContact O-CG 3.28Å; I82-L86 WeakPolarHBondContact O-CG 3.33Å; I82-L86 PolarHBondContact O-N 2.86Å
83M98.4Very high94.7Very high0 Ų066.7 Ų66.70%034%0.337CS..Hα-helixtrans-58.4-48.2178-73.2169.773.800112.2R31 T35 S79 L81 L86 D87 L159 L162 I163R31-M83 HydrophobicContact CB-CG 4.28Å; R31-M83 HydrophobicContact CB-SD 3.61Å; R31-M83 HydrophobicContact CG-SD 3.98Å; T35-M83 WeakPolarHBondContact OG1-CG 3.43Å; S79-M83 WeakPolarHBondContact O-CB 3.49Å; S79-M83 WeakPolarHBondContact O-CG 3.4Å; S79-M83 PolarHBondContact O-N 2.8Å; L81-M83 VanDerWaalsContact C-N 3.33Å; L81-M83 PolarHBondContact O-N 3.12Å; M83-L86 PolarHBondContact O-N 3.49Å; M83-D87 VanDerWaalsContact O-CB 3.3Å; M83-D87 WeakPolarHBondContact O-CB 3.45Å; M83-D87 PolarHBondContact O-N 2.97Å; M83-L159 HydrophobicContact CB-CD1 4.46Å; M83-L159 HydrophobicContact CE-CD1 3.8Å; M83-L159 HydrophobicContact CE-CG 3.94Å; M83-L162 HydrophobicContact CE-CB 3.69Å; M83-I163 HydrophobicContact CE-CB 3.86Å; M83-I163 HydrophobicContact SD-CB 4.24Å; M83-I163 HydrophobicContact SD-CD1 4.35Å; M83-I163 HydrophobicContact SD-CG1 4.25Å
84R97.2Very high94.8Very high63 Ų6367.7 Ų67.724%0.23834%0.335CS..Hα-helixtrans-61.6-44.8179-73.5-176.3-67.3-107.1-4111.8D80 L81 I82 L86 D87 E88 M97 F105 L159D80-R84 WeakPolarHBondContact O-CG 3.26Å; D80-R84 PolarHBondContact O-N 3.3Å; D80-R84 VanDerWaalsContact O-N 3.11Å; D80-R84 IonicContact OD2-CZ 3.21Å; D80-R84 IonicContact OD2-NH1 3.27Å; D80-R84 PolarHBondContact OD2-NH1 3.44Å; D80-R84 IonicContact OD2-NH2 2.74Å; D80-R84 PolarHBondContact OD2-NH2 3.01Å; L81-R84 PolarHBondContact O-N 3.21Å; I82-R84 PolarHBondContact O-N 3.48Å; R84-L86 PolarHBondContact O-N 2.88Å; R84-D87 PolarHBondContact O-N 3.01Å; R84-E88 WeakPolarHBondContact O-CG 3.32Å; R84-E88 PolarHBondContact O-N 3.4Å; R84-M97 HydrophobicContact CG-CE 3.6Å; R84-F105 VanDerWaalsContact NH1-CE1 3.3Å; R84-L159 HydrophobicContact CG-CD2 4.16Å
85F97.3Very high94.9Very high54 Ų5462.8 Ų62.824%0.23731%0.31CS..Hα-helixtrans-56.5-50175.1165.1-100000111.7Y18 L69 N71 L76 L81 I82 D87 E88 L89Y18-F85 AromaticContact CE1-CE1 3.92Å; Y18-F85 HydrophobicContact CE1-CE1 3.92Å; Y18-F85 HydrophobicContact CE1-CZ 4.24Å; L69-F85 HydrophobicContact CD2-CD1 4.28Å; L69-F85 HydrophobicContact CD2-CE1 4.23Å; N71-F85 HydrophobicContact CB-CE1 4.39Å; N71-F85 HydrophobicContact CB-CZ 4.38Å; N71-F85 WeakPolarHBondContact ND2-CZ 3.38Å; L76-F85 HydrophobicContact CD1-CB 4.25Å; L76-F85 HydrophobicContact CD1-CD1 3.42Å; L76-F85 VanDerWaalsContact CD1-CD1 3.42Å; L76-F85 HydrophobicContact CD1-CD2 4.15Å; L76-F85 HydrophobicContact CD1-CE1 3.74Å; L76-F85 HydrophobicContact CD1-CE2 4.41Å; L76-F85 HydrophobicContact CD1-CG 3.65Å; L76-F85 HydrophobicContact CD1-CZ 4.23Å; L81-F85 PolarHBondContact O-N 3.22Å; I82-F85 PolarHBondContact O-N 3.2Å; F85-D87 VanDerWaalsContact C-N 3.32Å; F85-D87 PolarHBondContact O-N 3.47Å; F85-E88 PolarHBondContact O-N 2.91Å; F85-L89 HydrophobicContact CE1-CD1 4.03Å; F85-L89 HydrophobicContact CE1-CD2 4.38Å; F85-L89 HydrophobicContact CE1-CG 4.44Å; F85-L89 HydrophobicContact CE2-CD2 4.04Å; F85-L89 HydrophobicContact CZ-CD1 4.24Å; F85-L89 HydrophobicContact CZ-CD2 3.81Å; F85-L89 HydrophobicContact CZ-CG 4.35Å
86L97.5Very high95Very high0 Ų057.6 Ų57.60%029%0.287CS..Hα-helixtrans-65.1-36.3-179.7-69.3172.7000112.5V32 T35 L36 I41 L69 I82 M83 R84 E88 L89V32-L86 HydrophobicContact CG1-CD1 3.94Å; T35-L86 HydrophobicContact CG2-CB 3.69Å; T35-L86 HydrophobicContact CG2-CD1 4.26Å; L36-L86 HydrophobicContact CD2-CD1 3.63Å; L36-L86 HydrophobicContact CD2-CD2 3.66Å; L36-L86 HydrophobicContact CD2-CG 4.28Å; L36-L86 HydrophobicContact CG-CD1 3.69Å; I41-L86 HydrophobicContact CD1-CB 4.26Å; I41-L86 HydrophobicContact CD1-CD2 3.91Å; L69-L86 HydrophobicContact CD2-CD1 4.33Å; L69-L86 HydrophobicContact CD2-CD2 3.79Å; L69-L86 HydrophobicContact CD2-CG 4.16Å; I82-L86 HydrophobicContact CG2-CD1 3.79Å; I82-L86 HydrophobicContact CG2-CG 4.23Å; I82-L86 WeakPolarHBondContact O-CB 3.48Å; I82-L86 VanDerWaalsContact O-CG 3.28Å; I82-L86 WeakPolarHBondContact O-CG 3.33Å; I82-L86 PolarHBondContact O-N 2.86Å; M83-L86 PolarHBondContact O-N 3.49Å; R84-L86 PolarHBondContact O-N 2.88Å; L86-E88 PolarHBondContact O-N 3.34Å; L86-L89 HydrophobicContact CD2-CD1 3.85Å; L86-L89 PolarHBondContact O-N 3.48Å
87D97.5Very high95.1Very high0 Ų056.3 Ų56.30%028%0.28CS..Hα-helixtrans-65.9-27.4-179.6-168.161.2000113.3H39 M83 R84 F85 S95 L96 M97 L159H39-D87 IonicContact CD2-OD1 2.65Å; H39-D87 IonicContact CE1-OD1 3.04Å; H39-D87 PolarHBondContact CE1-OD1 2.85Å; H39-D87 WeakPolarHBondContact NE2-CA 3.12Å; H39-D87 IonicContact NE2-OD1 3.7Å; H39-D87 PolarHBondContact NE2-OD1 3.39Å; M83-D87 VanDerWaalsContact O-CB 3.3Å; M83-D87 WeakPolarHBondContact O-CB 3.45Å; M83-D87 PolarHBondContact O-N 2.97Å; R84-D87 PolarHBondContact O-N 3.01Å; F85-D87 VanDerWaalsContact C-N 3.32Å; F85-D87 PolarHBondContact O-N 3.47Å; D87-S95 VanDerWaalsContact OD2-CA 3.31Å; D87-S95 WeakPolarHBondContact OD2-CA 3.29Å; D87-S95 WeakPolarHBondContact OD2-CB 3.4Å; D87-S95 PolarHBondContact OD2-OG 3.37Å; D87-L96 VanDerWaalsContact CG-N 3.32Å; D87-L96 VanDerWaalsContact OD1-CB 3.3Å; D87-L96 WeakPolarHBondContact OD1-CB 3.38Å; D87-L96 PolarHBondContact OD1-N 3.31Å; D87-L96 PolarHBondContact OD2-N 2.96Å; D87-M97 WeakPolarHBondContact OD2-CB 3.48Å; D87-M97 PolarHBondContact OD2-N 3.14Å; D87-L159 HydrophobicContact CB-CD1 4.26Å; D87-L159 HydrophobicContact CB-CD2 4.33Å
88E95.4Very high95.2Very high133 Ų13358.8 Ų58.862%0.62129%0.294SS*.Hα-helixtrans-84.1-18.8179.6-71.1173.5-177.200113.4R84 F85 L86 N90 G91R84-E88 WeakPolarHBondContact O-CG 3.32Å; R84-E88 PolarHBondContact O-N 3.4Å; F85-E88 PolarHBondContact O-N 2.91Å; L86-E88 PolarHBondContact O-N 3.34Å; E88-N90 VanDerWaalsContact C-N 3.3Å; E88-N90 PolarHBondContact O-N 2.96Å; E88-G91 PolarHBondContact O-N 3.43Å
89L93.7Very high95.2Very high70 Ų7057.3 Ų57.337%0.36629%0.291SS..THydrogen-bonded Turntrans-60.6-34.6-171.8-72.5177.6000114.3Y18 I41 F85 L86 G91Y18-L89 HydrophobicContact CE1-CD1 4.41Å; Y18-L89 HydrophobicContact CE2-CD1 4.35Å; Y18-L89 VanDerWaalsContact OH-CD1 3.24Å; Y18-L89 WeakPolarHBondContact OH-CD1 3.34Å; I41-L89 HydrophobicContact CD1-CD1 3.88Å; F85-L89 HydrophobicContact CE1-CD1 4.03Å; F85-L89 HydrophobicContact CE1-CD2 4.38Å; F85-L89 HydrophobicContact CE1-CG 4.44Å; F85-L89 HydrophobicContact CE2-CD2 4.04Å; F85-L89 HydrophobicContact CZ-CD1 4.24Å; F85-L89 HydrophobicContact CZ-CD2 3.81Å; F85-L89 HydrophobicContact CZ-CG 4.35Å; L86-L89 HydrophobicContact CD2-CD1 3.85Å; L86-L89 PolarHBondContact O-N 3.48Å; L89-G91 VanDerWaalsContact C-N 3.33Å
90N88.9Confident95.2Very high87 Ų8757.5 Ų57.547%0.46529%0.292SS..THydrogen-bonded Turntrans-89.91.4-179.6-71.9-30.6000113.2H39 E88 T94H39-N90 WeakPolarHBondContact CB-ND2 3.46Å; H39-N90 PolarHBondContact ND1-ND2 3.41Å; H39-N90 PolarHBondContact O-ND2 3.32Å; E88-N90 VanDerWaalsContact C-N 3.3Å; E88-N90 PolarHBondContact O-N 2.96Å; N90-T94 HydrophobicContact CB-CG2 4.44Å; N90-T94 WeakPolarHBondContact CB-OG1 3.35Å; N90-T94 PolarHBondContact O-OG1 3.49Å
91G89.8Confident95.1Very high31 Ų3157.5 Ų57.532%0.3230%0.299SS..  trans92.6168177.100000114.9E88 L89 K93 T94 S95E88-G91 PolarHBondContact O-N 3.43Å; L89-G91 VanDerWaalsContact C-N 3.33Å; G91-K93 PolarHBondContact O-N 2.86Å; G91-K93 VanDerWaalsContact O-N 3.07Å; G91-T94 PolarHBondContact O-N 3.38Å; G91-T94 VanDerWaalsContact O-N 3.13Å; G91-T94 PolarHBondContact O-OG1 3.34Å; G91-S95 PolarHBondContact O-N 3.26Å
92E87.3Confident95.1Very high165 Ų16558.1 Ų58.177%0.77131%0.306SS*.THydrogen-bonded Turntrans-57.9-29.8-169.3-67.2-17917100114.8T94 S95 N98E92-T94 VanDerWaalsContact C-N 3.31Å; E92-T94 PolarHBondContact O-N 3.14Å; E92-S95 PolarHBondContact O-N 3.03Å; E92-N98 PolarHBondContact O-ND2 3.25Å
93K88.7Confident95.1Very high215 Ų21565.3 Ų65.394%0.93534%0.34SS*.THydrogen-bonded Turntrans-72.3-23.9-177.3-68.9-174.6-179.6179.30113.6G91G91-K93 PolarHBondContact O-N 2.86Å; G91-K93 VanDerWaalsContact O-N 3.07Å
94T90.7Very high95.1Very high59 Ų5968.1 Ų68.136%0.36236%0.355SS..THydrogen-bonded Turntrans-101.7-4.9179.252.80000112.3H39 N90 G91 E92 L96H39-T94 PolarHBondContact CE1-O 3.13Å; N90-T94 HydrophobicContact CB-CG2 4.44Å; N90-T94 WeakPolarHBondContact CB-OG1 3.35Å; N90-T94 PolarHBondContact O-OG1 3.49Å; G91-T94 PolarHBondContact O-N 3.38Å; G91-T94 VanDerWaalsContact O-N 3.13Å; G91-T94 PolarHBondContact O-OG1 3.34Å; E92-T94 VanDerWaalsContact C-N 3.31Å; E92-T94 PolarHBondContact O-N 3.14Å; T94-L96 PolarHBondContact O-N 3.03Å
95S96.1Very high95.1Very high8 Ų865.2 Ų65.26%0.05634%0.344CS..  trans-65.6118.4-177.5170.80000110.9D87 G91 E92 M97 N98D87-S95 VanDerWaalsContact OD2-CA 3.31Å; D87-S95 WeakPolarHBondContact OD2-CA 3.29Å; D87-S95 WeakPolarHBondContact OD2-CB 3.4Å; D87-S95 PolarHBondContact OD2-OG 3.37Å; G91-S95 PolarHBondContact O-N 3.26Å; E92-S95 PolarHBondContact O-N 3.03Å; S95-M97 VanDerWaalsContact C-N 3.26Å; S95-M97 WeakPolarHBondContact OG-CB 3.46Å; S95-M97 PolarHBondContact OG-N 3.17Å; S95-N98 PolarHBondContact O-N 3.35Å; S95-N98 PolarHBondContact OG-N 2.69Å
96L97.9Very high95.2Very high2 Ų266.2 Ų66.21%0.0135%0.35CS..Hα-helixtrans-69.7-25.1171-70.2178.9000111.9Y38 D87 T94 V99 L157 L159 L162Y38-L96 HydrophobicContact CD1-CD1 3.53Å; Y38-L96 HydrophobicContact CD1-CD2 4.45Å; Y38-L96 HydrophobicContact CD1-CG 3.97Å; Y38-L96 HydrophobicContact CD2-CD1 4.34Å; Y38-L96 HydrophobicContact CE1-CD1 3.63Å; Y38-L96 HydrophobicContact CE1-CD2 3.7Å; Y38-L96 HydrophobicContact CE1-CG 3.53Å; Y38-L96 HydrophobicContact CE2-CD1 4.43Å; Y38-L96 HydrophobicContact CE2-CD2 4.2Å; Y38-L96 HydrophobicContact CG-CD1 3.91Å; D87-L96 VanDerWaalsContact CG-N 3.32Å; D87-L96 VanDerWaalsContact OD1-CB 3.3Å; D87-L96 WeakPolarHBondContact OD1-CB 3.38Å; D87-L96 PolarHBondContact OD1-N 3.31Å; D87-L96 PolarHBondContact OD2-N 2.96Å; T94-L96 PolarHBondContact O-N 3.03Å; L96-V99 PolarHBondContact O-N 3.33Å; L96-L157 HydrophobicContact CD2-CD2 4.34Å; L96-L157 HydrophobicContact CD2-CG 4.3Å; L96-L157 WeakPolarHBondContact CD2-O 3.1Å; L96-L159 HydrophobicContact CB-CB 3.82Å; L96-L159 HydrophobicContact CB-CD1 4.2Å; L96-L159 HydrophobicContact CD1-CD1 4.37Å; L96-L159 PolarHBondContact O-N 2.79Å; L96-L162 HydrophobicContact CD1-CD1 3.97Å; L96-L162 HydrophobicContact CD1-CD2 3.74Å; L96-L162 HydrophobicContact CD1-CG 4.49Å
97M97.7Very high95.2Very high23 Ų2369.7 Ų69.711%0.11337%0.368CS..Hα-helixtrans-64.2-41.5172.4179.663.682.700111.1R84 D87 S95 V99 C100 G101 F105 L159R84-M97 HydrophobicContact CG-CE 3.6Å; D87-M97 WeakPolarHBondContact OD2-CB 3.48Å; D87-M97 PolarHBondContact OD2-N 3.14Å; S95-M97 VanDerWaalsContact C-N 3.26Å; S95-M97 WeakPolarHBondContact OG-CB 3.46Å; S95-M97 PolarHBondContact OG-N 3.17Å; M97-V99 PolarHBondContact O-N 3.26Å; M97-C100 PolarHBondContact O-N 2.91Å; M97-G101 WeakPolarHBondContact O-CA 3.45Å; M97-G101 PolarHBondContact O-N 3.39Å; M97-F105 HydrophobicContact CE-CB 4.05Å; M97-F105 HydrophobicContact CE-CD1 3.71Å; M97-F105 HydrophobicContact CE-CD2 3.79Å; M97-F105 HydrophobicContact CE-CE1 4.05Å; M97-F105 HydrophobicContact CE-CE2 4.12Å; M97-F105 HydrophobicContact CE-CG 3.55Å; M97-F105 HydrophobicContact CE-CZ 4.2Å; M97-F105 HydrophobicContact SD-CB 3.7Å; M97-F105 HydrophobicContact SD-CD1 4.46Å; M97-F105 HydrophobicContact SD-CD2 4.26Å; M97-F105 HydrophobicContact SD-CG 3.89Å; M97-L159 HydrophobicContact CB-CB 4.45Å; M97-L159 HydrophobicContact CB-CD2 4.15Å; M97-L159 HydrophobicContact CE-CD2 3.81Å
98N96.4Very high95.2Very high102 Ų10269.7 Ų69.755%0.54537%0.368SS..Hα-helixtrans-63.9-25.8177.7-75.6-16.9000112.8E92 S95E92-N98 PolarHBondContact O-ND2 3.25Å; S95-N98 PolarHBondContact O-N 3.35Å; S95-N98 PolarHBondContact OG-N 2.69Å
99V97.2Very high95.3Very high61 Ų6164.1 Ų64.137%0.3734%0.342SS..Hα-helixtrans-69.5-46.1176.7-179.30000111.6L96 M97 Q156L96-V99 PolarHBondContact O-N 3.33Å; M97-V99 PolarHBondContact O-N 3.26Å; V99-Q156 HydrophobicContact CG1-CB 3.71Å
100C97.3Very high95.6Very high9 Ų964.3 Ų64.36%0.06134%0.341CS..Hα-helixtrans-90.8-27-17858.20000113.8M97 N104 A153 A160M97-C100 PolarHBondContact O-N 2.91Å; C100-N104 HydrophobicContact CB-CB 3.83Å; C100-N104 WeakPolarHBondContact O-CB 3.44Å; C100-N104 PolarHBondContact O-ND2 3.12Å; C100-A153 HydrophobicContact CB-CB 3.56Å; C100-A160 HydrophobicContact CB-CB 3.95Å
101G97Very high96Very high30 Ų3060.5 Ų60.531%0.30932%0.321SS..Hα-helixtrans70.8167.4-165.700000112.9M97 E103 F105M97-G101 WeakPolarHBondContact O-CA 3.45Å; M97-G101 PolarHBondContact O-N 3.39Å; G101-E103 VanDerWaalsContact C-N 3.33Å; G101-E103 PolarHBondContact O-N 3.3Å; G101-F105 PolarHBondContact O-N 3.11Å; G101-F105 VanDerWaalsContact O-N 3.15Å
102V97.3Very high96.4Very high108 Ų10859.1 Ų59.166%0.65531%0.306SS*.Hα-helixtrans-63.2-37.8-174.8178.10000112.1F105 Q106V102-F105 PolarHBondContact O-N 2.96Å; V102-Q106 WeakPolarHBondContact O-CB 3.38Å; V102-Q106 PolarHBondContact O-N 3.11Å
103E97.8Very high96.9Very high151 Ų15156.1 Ų56.171%0.70629%0.291SS*.Hα-helixtrans-63.6-51.9-178-175179.9177.100111.8G101 F105 Q106 N107G101-E103 VanDerWaalsContact C-N 3.33Å; G101-E103 PolarHBondContact O-N 3.3Å; E103-F105 VanDerWaalsContact C-N 3.32Å; E103-F105 PolarHBondContact O-N 3.18Å; E103-Q106 PolarHBondContact O-N 2.85Å; E103-N107 WeakPolarHBondContact O-CB 3.38Å; E103-N107 VanDerWaalsContact O-CG 3.26Å; E103-N107 PolarHBondContact O-N 3.14Å; E103-N107 PolarHBondContact O-ND2 3.41Å
104N97.6Very high97.3Very high59 Ų5950.7 Ų50.732%0.31627%0.267SS..Hα-helixtrans-65-36.7177.8-74.5-47.2000112C100 Q106 N107 A108 F152 A153C100-N104 HydrophobicContact CB-CB 3.83Å; C100-N104 WeakPolarHBondContact O-CB 3.44Å; C100-N104 PolarHBondContact O-ND2 3.12Å; N104-Q106 VanDerWaalsContact C-N 3.34Å; N104-Q106 PolarHBondContact O-N 3.49Å; N104-N107 PolarHBondContact O-N 2.9Å; N104-A108 WeakPolarHBondContact O-CB 3.37Å; N104-A108 PolarHBondContact O-N 3.34Å; N104-F152 HydrophobicContact CB-CE1 4.43Å; N104-F152 WeakPolarHBondContact O-CE1 3.49Å; N104-A153 HydrophobicContact CB-CB 4.03Å
105F98.3Very high97.7Very high3 Ų347.9 Ų47.91%0.01325%0.25CC..Hα-helixtrans-60.7-44.2174179.3-95000111.8D80 R84 M97 G101 V102 E103 A108 M109 L159 I163D80-F105 HydrophobicContact CB-CZ 4.28Å; R84-F105 VanDerWaalsContact NH1-CE1 3.3Å; M97-F105 HydrophobicContact CE-CB 4.05Å; M97-F105 HydrophobicContact CE-CD1 3.71Å; M97-F105 HydrophobicContact CE-CD2 3.79Å; M97-F105 HydrophobicContact CE-CE1 4.05Å; M97-F105 HydrophobicContact CE-CE2 4.12Å; M97-F105 HydrophobicContact CE-CG 3.55Å; M97-F105 HydrophobicContact CE-CZ 4.2Å; M97-F105 HydrophobicContact SD-CB 3.7Å; M97-F105 HydrophobicContact SD-CD1 4.46Å; M97-F105 HydrophobicContact SD-CD2 4.26Å; M97-F105 HydrophobicContact SD-CG 3.89Å; G101-F105 PolarHBondContact O-N 3.11Å; G101-F105 VanDerWaalsContact O-N 3.15Å; V102-F105 PolarHBondContact O-N 2.96Å; E103-F105 VanDerWaalsContact C-N 3.32Å; E103-F105 PolarHBondContact O-N 3.18Å; F105-A108 PolarHBondContact O-N 3.25Å; F105-M109 WeakPolarHBondContact O-CB 3.3Å; F105-M109 PolarHBondContact O-N 3.19Å; F105-L159 HydrophobicContact CD2-CB 3.99Å; F105-L159 HydrophobicContact CD2-CD2 3.99Å; F105-L159 HydrophobicContact CD2-CG 4.01Å; F105-L159 HydrophobicContact CE2-CB 4.21Å; F105-L159 HydrophobicContact CE2-CD2 3.58Å; F105-L159 HydrophobicContact CE2-CG 3.69Å; F105-L159 HydrophobicContact CZ-CD2 4.31Å; F105-I163 HydrophobicContact CD2-CG2 4.11Å; F105-I163 HydrophobicContact CE1-CD1 3.93Å; F105-I163 HydrophobicContact CE2-CB 3.93Å; F105-I163 HydrophobicContact CE2-CD1 3.7Å; F105-I163 HydrophobicContact CE2-CG1 4.42Å; F105-I163 HydrophobicContact CE2-CG2 3.92Å; F105-I163 HydrophobicContact CZ-CB 4.42Å; F105-I163 HydrophobicContact CZ-CD1 3.28Å; F105-I163 HydrophobicContact CZ-CG1 4.43Å
106Q98.2Very high97.8Very high75 Ų7548.2 Ų48.235%0.3525%0.25SS..Hα-helixtrans-66.2-42177.4-173.461.743.500111.6V102 E103 N104 M109 E110V102-Q106 WeakPolarHBondContact O-CB 3.38Å; V102-Q106 PolarHBondContact O-N 3.11Å; E103-Q106 PolarHBondContact O-N 2.85Å; N104-Q106 VanDerWaalsContact C-N 3.34Å; N104-Q106 PolarHBondContact O-N 3.49Å; Q106-M109 VanDerWaalsContact CD-CE 3.49Å; Q106-M109 VanDerWaalsContact NE2-CE 3.27Å; Q106-M109 PolarHBondContact O-N 2.92Å; Q106-E110 PolarHBondContact NE2-OE1 2.89Å; Q106-E110 VanDerWaalsContact NE2-OE1 3.08Å; Q106-E110 PolarHBondContact O-N 3.24Å
107N97.8Very high97.8Very high72 Ų7252 Ų5239%0.38528%0.277SS..Hα-helixtrans-60.9-46.8176.5-71.1-16.9000111.4E103 N104 M109 E110 L111 F152E103-N107 WeakPolarHBondContact O-CB 3.38Å; E103-N107 VanDerWaalsContact O-CG 3.26Å; E103-N107 PolarHBondContact O-N 3.14Å; E103-N107 PolarHBondContact O-ND2 3.41Å; N104-N107 PolarHBondContact O-N 2.9Å; N107-M109 VanDerWaalsContact C-N 3.31Å; N107-M109 PolarHBondContact O-N 2.78Å; N107-E110 PolarHBondContact O-N 2.9Å; N107-L111 WeakPolarHBondContact O-CG 3.38Å; N107-L111 PolarHBondContact O-N 3.34Å; N107-F152 HydrophobicContact CB-CE1 4.34Å; N107-F152 HydrophobicContact CB-CZ 4.23Å
108A98.5Very high97.8Very high0 Ų051.3 Ų51.30%027%0.274CS..Hα-helixtrans-59.9-41.5174.400000112N104 F105 L111 S112 F152 A160 I163 L164N104-A108 WeakPolarHBondContact O-CB 3.37Å; N104-A108 PolarHBondContact O-N 3.34Å; F105-A108 PolarHBondContact O-N 3.25Å; A108-L111 PolarHBondContact O-N 3.31Å; A108-S112 VanDerWaalsContact O-CB 3.29Å; A108-S112 WeakPolarHBondContact O-CB 3.25Å; A108-S112 PolarHBondContact O-N 2.83Å; A108-F152 HydrophobicContact CB-CD1 3.84Å; A108-F152 HydrophobicContact CB-CE1 3.65Å; A108-F152 HydrophobicContact CB-CE2 4.39Å; A108-F152 HydrophobicContact CB-CG 4.28Å; A108-F152 HydrophobicContact CB-CZ 3.95Å; A108-A160 HydrophobicContact CB-CB 3.72Å; A108-A160 WeakPolarHBondContact CB-O 3.45Å; A108-I163 HydrophobicContact CB-CG2 3.84Å; A108-L164 HydrophobicContact CB-CB 4.27Å
109M98.1Very high97.9Very high16 Ų1646.5 Ų46.58%0.07925%0.248CC..Hα-helixtrans-63.3-43.9177-174.4168.258.100112D80 F105 Q106 N107 S112 K113 I163D80-M109 HydrophobicContact CB-SD 4.16Å; F105-M109 WeakPolarHBondContact O-CB 3.3Å; F105-M109 PolarHBondContact O-N 3.19Å; Q106-M109 VanDerWaalsContact CD-CE 3.49Å; Q106-M109 VanDerWaalsContact NE2-CE 3.27Å; Q106-M109 PolarHBondContact O-N 2.92Å; N107-M109 VanDerWaalsContact C-N 3.31Å; N107-M109 PolarHBondContact O-N 2.78Å; M109-S112 PolarHBondContact O-N 3.26Å; M109-S112 PolarHBondContact O-OG 3.29Å; M109-K113 WeakPolarHBondContact O-CG 3.12Å; M109-K113 PolarHBondContact O-N 3.17Å; M109-I163 HydrophobicContact CB-CD1 3.92Å; M109-I163 HydrophobicContact CB-CG1 4.42Å; M109-I163 HydrophobicContact CG-CD1 3.83Å; M109-I163 HydrophobicContact CG-CG1 4.45Å; M109-I163 HydrophobicContact SD-CD1 3.76Å
110E98.2Very high97.9Very high75 Ų7547.1 Ų47.135%0.3525%0.247SC..Hα-helixtrans-66.9-42.3177.8-69.4-50.4124.900112.4Q106 N107 S112 K113 K114Q106-E110 PolarHBondContact NE2-OE1 2.89Å; Q106-E110 VanDerWaalsContact NE2-OE1 3.08Å; Q106-E110 PolarHBondContact O-N 3.24Å; N107-E110 PolarHBondContact O-N 2.9Å; E110-S112 VanDerWaalsContact C-N 3.31Å; E110-S112 PolarHBondContact O-N 3.36Å; E110-K113 WeakPolarHBondContact O-CB 3.44Å; E110-K113 PolarHBondContact O-N 3.49Å; E110-K113 VanDerWaalsContact O-N 3.14Å; E110-K113 IonicContact OE1-NZ 2.85Å; E110-K113 PolarHBondContact OE1-NZ 2.75Å; E110-K113 IonicContact OE2-NZ 3.32Å; E110-K114 PolarHBondContact O-N 2.82Å
111L98.1Very high98Very high7 Ų748.3 Ų48.34%0.03725%0.254CS..Hα-helixtrans-62.5-39.8174.6-69.7163.7000111.9N107 A108 K113 K114 F115 E142 L143 L146 F152 L164N107-L111 WeakPolarHBondContact O-CG 3.38Å; N107-L111 PolarHBondContact O-N 3.34Å; A108-L111 PolarHBondContact O-N 3.31Å; L111-K113 PolarHBondContact O-N 3.34Å; L111-K114 HydrophobicContact CD2-CD 4.44Å; L111-K114 PolarHBondContact O-N 3.05Å; L111-F115 WeakPolarHBondContact O-CB 3.34Å; L111-F115 PolarHBondContact O-N 3.28Å; L111-E142 HydrophobicContact CD2-CB 4.27Å; L111-E142 HydrophobicContact CD2-CG 3.69Å; L111-E142 WeakPolarHBondContact CD2-OE1 3.4Å; L111-L143 HydrophobicContact CB-CD2 3.94Å; L111-L143 HydrophobicContact CD1-CD2 4.21Å; L111-L143 HydrophobicContact CG-CD2 4.49Å; L111-L146 HydrophobicContact CD1-CD1 3.49Å; L111-L146 VanDerWaalsContact CD1-CD1 3.49Å; L111-L146 HydrophobicContact CD2-CD1 3.87Å; L111-L146 HydrophobicContact CG-CD1 4.24Å; L111-F152 HydrophobicContact CD1-CE2 3.5Å; L111-F152 VanDerWaalsContact CD1-CE2 3.5Å; L111-F152 HydrophobicContact CD1-CZ 3.61Å; L111-L164 HydrophobicContact CB-CD1 4.48Å
112S98Very high98Very high1 Ų146.9 Ų46.91%0.00724%0.24CC..Hα-helixtrans-59.3-36.7175.9830000111.8R31 A108 M109 E110 F116R31-S112 PolarHBondContact NH2-OG 2.9Å; A108-S112 VanDerWaalsContact O-CB 3.29Å; A108-S112 WeakPolarHBondContact O-CB 3.25Å; A108-S112 PolarHBondContact O-N 2.83Å; M109-S112 PolarHBondContact O-N 3.26Å; M109-S112 PolarHBondContact O-OG 3.29Å; E110-S112 VanDerWaalsContact C-N 3.31Å; E110-S112 PolarHBondContact O-N 3.36Å; S112-F116 WeakPolarHBondContact O-CB 3.35Å; S112-F116 PolarHBondContact O-N 3.09Å
113K97.8Very high98Very high103 Ų10341.8 Ų41.845%0.44821%0.209SC..Hα-helixtrans-72.3-44.3175.1-66.5170.3-172.4166.70111.6M109 E110 L111 F115 F116 S117M109-K113 WeakPolarHBondContact O-CG 3.12Å; M109-K113 PolarHBondContact O-N 3.17Å; E110-K113 WeakPolarHBondContact O-CB 3.44Å; E110-K113 PolarHBondContact O-N 3.49Å; E110-K113 VanDerWaalsContact O-N 3.14Å; E110-K113 IonicContact OE1-NZ 2.85Å; E110-K113 PolarHBondContact OE1-NZ 2.75Å; E110-K113 IonicContact OE2-NZ 3.32Å; L111-K113 PolarHBondContact O-N 3.34Å; K113-F115 VanDerWaalsContact C-N 3.27Å; K113-F115 PolarHBondContact O-N 2.64Å; K113-F116 PolarHBondContact O-N 3.39Å; K113-S117 WeakPolarHBondContact O-CB 3.17Å; K113-S117 PolarHBondContact O-N 3.22Å
114K98Very high97.9Very high100 Ų10036 Ų3644%0.43518%0.181SC..Hα-helixtrans-58.4-40.1177.5-75.7-178.4175-174.20112E110 L111 P118 A139 E142E110-K114 PolarHBondContact O-N 2.82Å; L111-K114 HydrophobicContact CD2-CD 4.44Å; L111-K114 PolarHBondContact O-N 3.05Å; K114-P118 WeakPolarHBondContact O-CD 3.26Å; K114-P118 WeakPolarHBondContact O-CG 3.34Å; K114-A139 HydrophobicContact CB-CB 4.34Å; K114-E142 WeakPolarHBondContact CD-OE2 3.19Å; K114-E142 IonicContact NZ-OE1 2.72Å; K114-E142 PolarHBondContact NZ-OE1 3.33Å; K114-E142 IonicContact NZ-OE2 3.4Å; K114-E142 PolarHBondContact NZ-OE2 2.82Å
115F98.4Very high97.8Very high0 Ų037.8 Ų37.80%019%0.187CC..Hα-helixtrans-72.1-52.2175.2-179.2-82.7000111.9L111 K113 S117 P118 G119 F136 A139 L143 M167 I168 F171 I174L111-F115 WeakPolarHBondContact O-CB 3.34Å; L111-F115 PolarHBondContact O-N 3.28Å; K113-F115 VanDerWaalsContact C-N 3.27Å; K113-F115 PolarHBondContact O-N 2.64Å; F115-S117 PolarHBondContact O-N 2.97Å; F115-P118 WeakPolarHBondContact O-CD 3.25Å; F115-P118 WeakPolarHBondContact O-CG 3.35Å; F115-G119 PolarHBondContact O-N 2.86Å; F115-F136 HydrophobicContact CD1-CE2 4.4Å; F115-F136 HydrophobicContact CD2-CD2 4.4Å; F115-F136 AromaticContact CD2-CE2 3.98Å; F115-F136 HydrophobicContact CD2-CE2 3.98Å; F115-F136 AromaticContact CE1-CE2 3.83Å; F115-F136 HydrophobicContact CE1-CE2 3.83Å; F115-F136 HydrophobicContact CE2-CD2 4.25Å; F115-F136 AromaticContact CE2-CE2 3.41Å; F115-F136 HydrophobicContact CE2-CE2 3.41Å; F115-F136 VanDerWaalsContact CE2-CE2 3.41Å; F115-F136 AromaticContact CE2-CZ 3.92Å; F115-F136 HydrophobicContact CE2-CZ 3.92Å; F115-F136 HydrophobicContact CG-CE2 4.46Å; F115-F136 HydrophobicContact CZ-CD2 4.39Å; F115-F136 AromaticContact CZ-CE2 3.34Å; F115-F136 HydrophobicContact CZ-CE2 3.34Å; F115-F136 AromaticContact CZ-CZ 3.89Å; F115-F136 HydrophobicContact CZ-CZ 3.89Å; F115-A139 HydrophobicContact CB-CB 4.15Å; F115-L143 HydrophobicContact CB-CD1 4.21Å; F115-L143 HydrophobicContact CD2-CD1 3.62Å; F115-L143 HydrophobicContact CE2-CD1 4.31Å; F115-L143 HydrophobicContact CG-CD1 4.22Å; F115-M167 WeakPolarHBondContact CE1-O 3.21Å; F115-I168 HydrophobicContact CB-CG2 4.3Å; F115-I168 HydrophobicContact CD1-CB 4.42Å; F115-I168 HydrophobicContact CD1-CG2 3.91Å; F115-I168 HydrophobicContact CD2-CG2 4.01Å; F115-I168 HydrophobicContact CE1-CB 4.2Å; F115-I168 HydrophobicContact CE1-CG2 4.18Å; F115-I168 HydrophobicContact CE2-CB 4.38Å; F115-I168 HydrophobicContact CE2-CG2 4.21Å; F115-I168 HydrophobicContact CG-CG2 3.81Å; F115-I168 HydrophobicContact CZ-CB 4.13Å; F115-I168 HydrophobicContact CZ-CG2 4.28Å; F115-F171 HydrophobicContact CE2-CD2 4.03Å; F115-F171 HydrophobicContact CZ-CB 3.99Å; F115-F171 HydrophobicContact CZ-CD2 4.1Å; F115-I174 HydrophobicContact CE1-CD1 3.79Å; F115-I174 HydrophobicContact CZ-CD1 4.17Å
116F97.7Very high97.3Very high15 Ų1543.7 Ų43.77%0.06622%0.223CC..Hα-helixtrans-78.1-22.5-168.4-163.9-106.8000113.7P27 F28 S112 K113 G119 H120 L123 M167 Y170P27-F116 HydrophobicContact CG-CE1 3.92Å; P27-F116 HydrophobicContact CG-CE2 3.89Å; P27-F116 HydrophobicContact CG-CZ 3.51Å; F28-F116 HydrophobicContact CE2-CE1 4.47Å; S112-F116 WeakPolarHBondContact O-CB 3.35Å; S112-F116 PolarHBondContact O-N 3.09Å; K113-F116 PolarHBondContact O-N 3.39Å; F116-G119 PolarHBondContact O-N 3.19Å; F116-H120 HydrophobicContact CD1-CB 4.3Å; F116-H120 HydrophobicContact CE1-CB 4.09Å; F116-H120 AromaticContact CE1-CD2 3.99Å; F116-H120 HydrophobicContact CZ-CB 4.49Å; F116-H120 WeakPolarHBondContact O-CA 3.37Å; F116-H120 WeakPolarHBondContact O-CB 3.3Å; F116-H120 PolarHBondContact O-N 3.42Å; F116-L123 HydrophobicContact CE2-CD1 4.1Å; F116-M167 HydrophobicContact CB-CB 4.08Å; F116-M167 HydrophobicContact CB-CG 4.25Å; F116-M167 HydrophobicContact CB-SD 3.85Å; F116-M167 HydrophobicContact CD1-SD 3.67Å; F116-M167 HydrophobicContact CD2-CB 4.31Å; F116-M167 HydrophobicContact CD2-SD 3.82Å; F116-M167 HydrophobicContact CE1-SD 4.18Å; F116-M167 HydrophobicContact CE2-SD 4.31Å; F116-M167 HydrophobicContact CG-CB 4.38Å; F116-M167 HydrophobicContact CG-CG 4.43Å; F116-M167 HydrophobicContact CG-SD 3.48Å; F116-M167 WeakPolarHBondContact CG-SD 3.5Å; F116-M167 HydrophobicContact CZ-SD 4.49Å; F116-Y170 HydrophobicContact CE2-CD2 4.18Å; F116-Y170 HydrophobicContact CE2-CG 4.47Å
117S98Very high97.1Very high82 Ų8245.5 Ų45.557%0.57324%0.239SC*.Hα-helixtrans-61.8-59177.3-179.20000112.8K113 F115 G119 H120 T121K113-S117 WeakPolarHBondContact O-CB 3.17Å; K113-S117 PolarHBondContact O-N 3.22Å; F115-S117 PolarHBondContact O-N 2.97Å; S117-G119 VanDerWaalsContact C-N 3.3Å; S117-G119 PolarHBondContact O-N 3.49Å; S117-H120 PolarHBondContact O-N 3.37Å; S117-T121 PolarHBondContact O-N 3.41Å
118P98.4Very high97.1Very high9 Ų944.9 Ų44.96%0.05823%0.233CC..Hα-helixtrans-65.2-35.2172.726.8-34000111.9K114 F115 H120 T121 I122 D132 K135 F136K114-P118 WeakPolarHBondContact O-CD 3.26Å; K114-P118 WeakPolarHBondContact O-CG 3.34Å; F115-P118 WeakPolarHBondContact O-CD 3.25Å; F115-P118 WeakPolarHBondContact O-CG 3.35Å; P118-H120 VanDerWaalsContact C-N 3.33Å; P118-H120 PolarHBondContact O-N 3.49Å; P118-T121 WeakPolarHBondContact O-CB 3.46Å; P118-T121 PolarHBondContact O-N 3.42Å; P118-I122 WeakPolarHBondContact O-CG1 3.35Å; P118-I122 PolarHBondContact O-N 3.15Å; P118-D132 WeakPolarHBondContact CB-O 3.46Å; P118-K135 HydrophobicContact CB-CB 4.01Å; P118-K135 HydrophobicContact CG-CB 4.1Å; P118-F136 HydrophobicContact CB-CB 4.19Å; P118-F136 HydrophobicContact CG-CB 4.16Å
119G98.3Very high97.1Very high0 Ų047.3 Ų47.30%025%0.251CS..Hα-helixtrans-58.2-42174.900000113F115 F116 S117 T121 I122 L123F115-G119 PolarHBondContact O-N 2.86Å; F116-G119 PolarHBondContact O-N 3.19Å; S117-G119 VanDerWaalsContact C-N 3.3Å; S117-G119 PolarHBondContact O-N 3.49Å; G119-T121 VanDerWaalsContact C-N 3.35Å; G119-T121 PolarHBondContact O-N 2.91Å; G119-I122 PolarHBondContact O-N 2.9Å; G119-L123 WeakPolarHBondContact O-CB 3.43Å; G119-L123 WeakPolarHBondContact O-CD1 3.37Å; G119-L123 WeakPolarHBondContact O-CG 3.38Å; G119-L123 PolarHBondContact O-N 2.74Å
120H97.5Very high97.1Very high74 Ų7452.7 Ų52.734%0.34328%0.275SS..Hα-helixtrans-62.7-42.5177.5178.9-75.9000111.1F116 S117 P118 L123 Y124F116-H120 HydrophobicContact CD1-CB 4.3Å; F116-H120 HydrophobicContact CE1-CB 4.09Å; F116-H120 AromaticContact CE1-CD2 3.99Å; F116-H120 HydrophobicContact CZ-CB 4.49Å; F116-H120 WeakPolarHBondContact O-CA 3.37Å; F116-H120 WeakPolarHBondContact O-CB 3.3Å; F116-H120 PolarHBondContact O-N 3.42Å; S117-H120 PolarHBondContact O-N 3.37Å; P118-H120 VanDerWaalsContact C-N 3.33Å; P118-H120 PolarHBondContact O-N 3.49Å; H120-L123 PolarHBondContact O-N 3.08Å; H120-Y124 AromaticContact CD2-CD2 3.51Å; H120-Y124 AromaticContact CD2-CE2 3.96Å; H120-Y124 AromaticContact CG-CD2 3.95Å; H120-Y124 AromaticContact NE2-CD2 3.58Å; H120-Y124 PolarHBondContact O-N 3.2Å
121T98Very high97.1Very high35 Ų3552 Ų5222%0.21528%0.279CS..Hα-helixtrans-56.9-50.3173.4-57.80000110.6S117 P118 G119 L123 E125 F128 D132S117-T121 PolarHBondContact O-N 3.41Å; P118-T121 WeakPolarHBondContact O-CB 3.46Å; P118-T121 PolarHBondContact O-N 3.42Å; G119-T121 VanDerWaalsContact C-N 3.35Å; G119-T121 PolarHBondContact O-N 2.91Å; T121-L123 VanDerWaalsContact C-N 3.35Å; T121-L123 PolarHBondContact O-N 2.88Å; T121-E125 HydrophobicContact CG2-CB 4.25Å; T121-E125 HydrophobicContact CG2-CG 3.98Å; T121-E125 VanDerWaalsContact O-CB 3.3Å; T121-E125 WeakPolarHBondContact O-CB 3.45Å; T121-E125 PolarHBondContact O-N 3.49Å; T121-F128 HydrophobicContact CG2-CB 4.1Å; T121-D132 HydrophobicContact CG2-CB 4.47Å
122I98.2Very high97.1Very high0 Ų052.9 Ų52.90%028%0.284CS..Hα-helixtrans-63-41179.9-63.3161.7000111.5P118 G119 F128 D132 F136 I174 I177 I178 R236P118-I122 WeakPolarHBondContact O-CG1 3.35Å; P118-I122 PolarHBondContact O-N 3.15Å; G119-I122 PolarHBondContact O-N 2.9Å; I122-F128 HydrophobicContact CB-CD1 4.45Å; I122-F128 HydrophobicContact CB-CG 4.43Å; I122-F128 HydrophobicContact CG1-CB 4.07Å; I122-F128 HydrophobicContact CG1-CD1 4.45Å; I122-F128 HydrophobicContact CG1-CD2 4.11Å; I122-F128 HydrophobicContact CG1-CG 3.96Å; I122-F128 HydrophobicContact CG2-CD1 4.2Å; I122-F128 HydrophobicContact CG2-CE1 4.22Å; I122-F128 HydrophobicContact CG2-CG 4.49Å; I122-D132 HydrophobicContact CG1-CB 4.33Å; I122-F136 HydrophobicContact CD1-CB 4.08Å; I122-F136 HydrophobicContact CD1-CG 4.35Å; I122-I174 HydrophobicContact CB-CG2 4.22Å; I122-I174 HydrophobicContact CD1-CG2 3.81Å; I122-I174 HydrophobicContact CG2-CG2 3.95Å; I122-I177 HydrophobicContact CG2-CB 3.96Å; I122-I177 HydrophobicContact CG2-CG2 3.65Å; I122-I178 HydrophobicContact CD1-CD1 4.19Å; I122-I178 HydrophobicContact CD1-CG1 4.42Å; I122-I178 HydrophobicContact CG2-CG1 4.24Å; I122-R236 PolarHBondContact O-NH1 3.45Å
123L97.7Very high97.1Very high0 Ų053 Ų530%028%0.284CS..Hα-helixtrans-67.6-48-179.1-71165.8000112.1F116 G119 H120 T121 Y170 V173 I174 I177 V232 R236F116-L123 HydrophobicContact CE2-CD1 4.1Å; G119-L123 WeakPolarHBondContact O-CB 3.43Å; G119-L123 WeakPolarHBondContact O-CD1 3.37Å; G119-L123 WeakPolarHBondContact O-CG 3.38Å; G119-L123 PolarHBondContact O-N 2.74Å; H120-L123 PolarHBondContact O-N 3.08Å; T121-L123 VanDerWaalsContact C-N 3.35Å; T121-L123 PolarHBondContact O-N 2.88Å; L123-Y170 HydrophobicContact CD1-CD1 3.76Å; L123-Y170 HydrophobicContact CD1-CE1 4.42Å; L123-Y170 HydrophobicContact CD1-CG 4.07Å; L123-Y170 HydrophobicContact CD2-CD1 4.02Å; L123-V173 HydrophobicContact CD2-CB 4.09Å; L123-V173 HydrophobicContact CD2-CG1 3.6Å; L123-I174 HydrophobicContact CD1-CD1 4.29Å; L123-I174 HydrophobicContact CD1-CG1 4.05Å; L123-I174 HydrophobicContact CD2-CG1 3.89Å; L123-I174 HydrophobicContact CG-CG1 3.81Å; L123-I177 HydrophobicContact CD2-CD1 4.03Å; L123-V232 HydrophobicContact CB-CG1 4.29Å; L123-V232 HydrophobicContact CD2-CG1 3.95Å; L123-V232 HydrophobicContact CD2-CG2 3.92Å; L123-V232 VanDerWaalsContact O-CG1 3.24Å; L123-V232 WeakPolarHBondContact O-CG1 3.27Å; L123-R236 WeakPolarHBondContact O-CD 3.34Å; L123-R236 VanDerWaalsContact O-CG 3.32Å; L123-R236 WeakPolarHBondContact O-CG 3.48Å; L123-R236 PolarHBondContact O-NH1 2.92Å
124Y95.5Very high97.1Very high31 Ų3151 Ų5112%0.12228%0.281CS..Hα-helixtrans-120.4-16.1-159.4-58.6-58.3000116H120 F231 V232 K235H120-Y124 AromaticContact CD2-CD2 3.51Å; H120-Y124 AromaticContact CD2-CE2 3.96Å; H120-Y124 AromaticContact CG-CD2 3.95Å; H120-Y124 AromaticContact NE2-CD2 3.58Å; H120-Y124 PolarHBondContact O-N 3.2Å; Y124-F231 HydrophobicContact CE1-CE1 4.07Å; Y124-V232 HydrophobicContact CE1-CG2 3.85Å; Y124-K235 HydrophobicContact CD1-CD 3.54Å; Y124-K235 HydrophobicContact CD1-CG 4.18Å; Y124-K235 HydrophobicContact CE1-CD 3.9Å; Y124-K235 HydrophobicContact CG-CD 4.44Å
125E94.3Very high97.1Very high95 Ų9551.3 Ų51.344%0.44428%0.282SS..SBendtrans-81.4150.4175.7-61.2-61.3154.400111.3T121 T127 R236T121-E125 HydrophobicContact CG2-CB 4.25Å; T121-E125 HydrophobicContact CG2-CG 3.98Å; T121-E125 VanDerWaalsContact O-CB 3.3Å; T121-E125 WeakPolarHBondContact O-CB 3.45Å; T121-E125 PolarHBondContact O-N 3.49Å; E125-T127 PolarHBondContact O-N 3.36Å; E125-R236 PolarHBondContact O-NH1 3.01Å
126V89.4Confident97.1Very high128 Ų12851.3 Ų51.378%0.77628%0.282SS*.SBendtrans-56.7-42179.9-179.90000110.6R236V126-R236 PolarHBondContact O-NH2 3.22Å
127T94Very high97.2Very high112 Ų11254 Ų5469%0.68729%0.292SS*.  trans-132149.2176.957.20000110.2E125E125-T127 PolarHBondContact O-N 3.36Å
128F97.1Very high97.2Very high59 Ų5955.8 Ų55.826%0.25929%0.291SS..  trans-126.1158.916859.8-91.9000109.2T121 I122 D132 V133 I177T121-F128 HydrophobicContact CG2-CB 4.1Å; I122-F128 HydrophobicContact CB-CD1 4.45Å; I122-F128 HydrophobicContact CB-CG 4.43Å; I122-F128 HydrophobicContact CG1-CB 4.07Å; I122-F128 HydrophobicContact CG1-CD1 4.45Å; I122-F128 HydrophobicContact CG1-CD2 4.11Å; I122-F128 HydrophobicContact CG1-CG 3.96Å; I122-F128 HydrophobicContact CG2-CD1 4.2Å; I122-F128 HydrophobicContact CG2-CE1 4.22Å; I122-F128 HydrophobicContact CG2-CG 4.49Å; F128-D132 HydrophobicContact CB-CB 4.41Å; F128-V133 HydrophobicContact CD2-CG2 3.78Å; F128-V133 HydrophobicContact CE2-CG2 3.67Å; F128-I177 HydrophobicContact CD1-CG2 4.4Å; F128-I177 HydrophobicContact CE1-CG2 3.54Å; F128-I177 HydrophobicContact CZ-CG2 4.08Å
129S97.6Very high97.2Very high52 Ų5255.5 Ų55.536%0.36429%0.29SS..  trans-101163.8-178.870.90000111.9S131 D132 V133S129-S131 PolarHBondContact O-N 3.06Å; S129-S131 PolarHBondContact OG-N 3.42Å; S129-D132 WeakPolarHBondContact CB-OD2 2.99Å; S129-D132 PolarHBondContact N-OD2 3.08Å; S129-D132 WeakPolarHBondContact O-CB 3.49Å; S129-D132 PolarHBondContact O-N 3.09Å; S129-D132 PolarHBondContact OG-N 3.12Å; S129-D132 PolarHBondContact OG-OD2 3.15Å; S129-V133 PolarHBondContact O-N 3.46Å
130E97.8Very high97.2Very high128 Ų12855.5 Ų55.560%0.59829%0.29SS*.Hα-helixtrans-58.1-30.5169.8-170.157.7-147.200111.7D132 V133 V134E130-D132 VanDerWaalsContact C-N 3.3Å; E130-D132 PolarHBondContact O-N 3.04Å; E130-V133 WeakPolarHBondContact O-CB 3.41Å; E130-V133 PolarHBondContact O-N 2.96Å; E130-V134 WeakPolarHBondContact O-CG2 3.48Å; E130-V134 PolarHBondContact O-N 3.38Å
131S98.2Very high97.2Very high60 Ų6054.2 Ų54.242%0.4229%0.289SS..Hα-helixtrans-64.3-34.1175.4-179.20000112.6S129 K135S129-S131 PolarHBondContact O-N 3.06Å; S129-S131 PolarHBondContact OG-N 3.42Å; S131-K135 VanDerWaalsContact O-CG 3.28Å; S131-K135 WeakPolarHBondContact O-CG 3.14Å; S131-K135 PolarHBondContact O-N 2.68Å; S131-K135 WeakPolarHBondContact OG-CE 3.32Å; S131-K135 PolarHBondContact OG-NZ 3.35Å
132D98.3Very high97.2Very high27 Ų2755.9 Ų55.914%0.14429%0.294CS..Hα-helixtrans-68.8-40.5176.9-58.2-59.3000110.5P118 T121 I122 F128 S129 E130 K135 F136P118-D132 WeakPolarHBondContact CB-O 3.46Å; T121-D132 HydrophobicContact CG2-CB 4.47Å; I122-D132 HydrophobicContact CG1-CB 4.33Å; F128-D132 HydrophobicContact CB-CB 4.41Å; S129-D132 WeakPolarHBondContact CB-OD2 2.99Å; S129-D132 PolarHBondContact N-OD2 3.08Å; S129-D132 WeakPolarHBondContact O-CB 3.49Å; S129-D132 PolarHBondContact O-N 3.09Å; S129-D132 PolarHBondContact OG-N 3.12Å; S129-D132 PolarHBondContact OG-OD2 3.15Å; E130-D132 VanDerWaalsContact C-N 3.3Å; E130-D132 PolarHBondContact O-N 3.04Å; D132-K135 PolarHBondContact O-N 2.65Å; D132-F136 WeakPolarHBondContact O-CB 3.46Å; D132-F136 PolarHBondContact O-N 3.43Å
133V98.4Very high97.2Very high3 Ų355.9 Ų55.92%0.01829%0.294CS..Hα-helixtrans-62.4-46.6175.7-178.70000110.8F128 S129 E130 F136 R137 I178F128-V133 HydrophobicContact CD2-CG2 3.78Å; F128-V133 HydrophobicContact CE2-CG2 3.67Å; S129-V133 PolarHBondContact O-N 3.46Å; E130-V133 WeakPolarHBondContact O-CB 3.41Å; E130-V133 PolarHBondContact O-N 2.96Å; V133-F136 WeakPolarHBondContact O-CB 3.43Å; V133-F136 PolarHBondContact O-N 3.1Å; V133-R137 WeakPolarHBondContact O-CG 3.3Å; V133-R137 PolarHBondContact O-N 3.3Å; V133-I178 HydrophobicContact CG1-CD1 4.13Å; V133-I178 HydrophobicContact CG1-CG1 4.45Å; V133-I178 HydrophobicContact CG1-CG2 4.14Å; V133-I178 HydrophobicContact CG2-CG1 4.29Å
134V98.5Very high97.2Very high62 Ų6256.9 Ų56.938%0.37630%0.299SS..Hα-helixtrans-59.6-49.5176.9170.20000111E130 F136 R137 E138E130-V134 WeakPolarHBondContact O-CG2 3.48Å; E130-V134 PolarHBondContact O-N 3.38Å; V134-F136 VanDerWaalsContact C-N 3.3Å; V134-F136 PolarHBondContact O-N 2.71Å; V134-R137 PolarHBondContact O-N 2.98Å; V134-R137 VanDerWaalsContact O-N 3.17Å; V134-E138 HydrophobicContact CG1-CG 4.32Å; V134-E138 WeakPolarHBondContact O-CG 3.45Å; V134-E138 PolarHBondContact O-N 3.22Å
135K98.6Very high97.3Very high105 Ų10561.5 Ų61.546%0.45733%0.325SS..Hα-helixtrans-61-38.5178.8-73.3168.7-175.4162.70112.5P118 S131 D132 A139P118-K135 HydrophobicContact CB-CB 4.01Å; P118-K135 HydrophobicContact CG-CB 4.1Å; S131-K135 VanDerWaalsContact O-CG 3.28Å; S131-K135 WeakPolarHBondContact O-CG 3.14Å; S131-K135 PolarHBondContact O-N 2.68Å; S131-K135 WeakPolarHBondContact OG-CE 3.32Å; S131-K135 PolarHBondContact OG-NZ 3.35Å; D132-K135 PolarHBondContact O-N 2.65Å; K135-A139 PolarHBondContact O-N 3.06Å
136F98.5Very high97.4Very high0 Ų061 Ų610%033%0.325CS..Hα-helixtrans-61.8-49.1174.6172.3-103.2000111.3F115 P118 I122 D132 V133 V134 E138 A139 C140 F171 I174 L175 I178F115-F136 HydrophobicContact CD1-CE2 4.4Å; F115-F136 HydrophobicContact CD2-CD2 4.4Å; F115-F136 AromaticContact CD2-CE2 3.98Å; F115-F136 HydrophobicContact CD2-CE2 3.98Å; F115-F136 AromaticContact CE1-CE2 3.83Å; F115-F136 HydrophobicContact CE1-CE2 3.83Å; F115-F136 HydrophobicContact CE2-CD2 4.25Å; F115-F136 AromaticContact CE2-CE2 3.41Å; F115-F136 HydrophobicContact CE2-CE2 3.41Å; F115-F136 VanDerWaalsContact CE2-CE2 3.41Å; F115-F136 AromaticContact CE2-CZ 3.92Å; F115-F136 HydrophobicContact CE2-CZ 3.92Å; F115-F136 HydrophobicContact CG-CE2 4.46Å; F115-F136 HydrophobicContact CZ-CD2 4.39Å; F115-F136 AromaticContact CZ-CE2 3.34Å; F115-F136 HydrophobicContact CZ-CE2 3.34Å; F115-F136 AromaticContact CZ-CZ 3.89Å; F115-F136 HydrophobicContact CZ-CZ 3.89Å; P118-F136 HydrophobicContact CB-CB 4.19Å; P118-F136 HydrophobicContact CG-CB 4.16Å; I122-F136 HydrophobicContact CD1-CB 4.08Å; I122-F136 HydrophobicContact CD1-CG 4.35Å; D132-F136 WeakPolarHBondContact O-CB 3.46Å; D132-F136 PolarHBondContact O-N 3.43Å; V133-F136 WeakPolarHBondContact O-CB 3.43Å; V133-F136 PolarHBondContact O-N 3.1Å; V134-F136 VanDerWaalsContact C-N 3.3Å; V134-F136 PolarHBondContact O-N 2.71Å; F136-E138 VanDerWaalsContact C-N 3.34Å; F136-E138 PolarHBondContact O-N 2.96Å; F136-A139 WeakPolarHBondContact O-CB 3.28Å; F136-A139 PolarHBondContact O-N 3.29Å; F136-A139 VanDerWaalsContact O-N 3.16Å; F136-C140 PolarHBondContact O-N 3.14Å; F136-C140 PolarHBondContact O-SG 3.19Å; F136-F171 AromaticContact CZ-CD2 3.82Å; F136-F171 HydrophobicContact CZ-CD2 3.82Å; F136-F171 HydrophobicContact CZ-CE2 4.25Å; F136-I174 HydrophobicContact CD1-CG2 3.93Å; F136-I174 HydrophobicContact CD2-CD1 4.17Å; F136-I174 HydrophobicContact CD2-CG2 3.85Å; F136-I174 HydrophobicContact CE1-CB 4.35Å; F136-I174 HydrophobicContact CE1-CG2 3.66Å; F136-I174 HydrophobicContact CE2-CB 3.97Å; F136-I174 HydrophobicContact CE2-CD1 3.48Å; F136-I174 VanDerWaalsContact CE2-CD1 3.48Å; F136-I174 HydrophobicContact CE2-CG1 4.3Å; F136-I174 HydrophobicContact CE2-CG2 3.56Å; F136-I174 HydrophobicContact CG-CG2 4.01Å; F136-I174 HydrophobicContact CZ-CB 3.78Å; F136-I174 HydrophobicContact CZ-CD1 4.11Å; F136-I174 HydrophobicContact CZ-CG2 3.46Å; F136-I174 VanDerWaalsContact CZ-CG2 3.46Å; F136-L175 HydrophobicContact CE1-CD2 3.94Å; F136-L175 HydrophobicContact CE1-CG 4.36Å; F136-I178 HydrophobicContact CD1-CD1 3.9Å; F136-I178 HydrophobicContact CE1-CD1 4.13Å
137R98Very high97.8Very high72 Ų7254.9 Ų54.927%0.27229%0.289SS..Hα-helixtrans-64-37178.4-69.5178.3168.3141.6-1.1112.7V133 V134 C140 S141 E198 W202V133-R137 WeakPolarHBondContact O-CG 3.3Å; V133-R137 PolarHBondContact O-N 3.3Å; V134-R137 PolarHBondContact O-N 2.98Å; V134-R137 VanDerWaalsContact O-N 3.17Å; R137-C140 WeakPolarHBondContact O-CB 3.39Å; R137-C140 PolarHBondContact O-N 2.86Å; R137-S141 WeakPolarHBondContact O-CB 3.34Å; R137-S141 PolarHBondContact O-N 3.05Å; R137-S141 PolarHBondContact O-OG 3.4Å; R137-E198 IonicContact CZ-OE1 3.21Å; R137-E198 IonicContact CZ-OE2 3.86Å; R137-E198 IonicContact NE-OE1 3.21Å; R137-E198 PolarHBondContact NE-OE1 3.06Å; R137-E198 IonicContact NE-OE2 3.91Å; R137-E198 IonicContact NH2-OE1 2.94Å; R137-E198 PolarHBondContact NH2-OE1 3.5Å; R137-E198 IonicContact NH2-OE2 2.96Å; R137-E198 PolarHBondContact NH2-OE2 3.44Å; R137-W202 HydrophobicContact CB-CH2 4.3Å; R137-W202 HydrophobicContact CB-CZ2 4.08Å; R137-W202 HydrophobicContact CG-CH2 3.99Å; R137-W202 HydrophobicContact CG-CZ2 4.27Å
138E98.4Very high97.8Very high119 Ų11955.5 Ų55.556%0.55629%0.288SS*.Hα-helixtrans-61.2-44.9172.2-74.7174166.400111.1V134 F136 C140 S141 E142V134-E138 HydrophobicContact CG1-CG 4.32Å; V134-E138 WeakPolarHBondContact O-CG 3.45Å; V134-E138 PolarHBondContact O-N 3.22Å; F136-E138 VanDerWaalsContact C-N 3.34Å; F136-E138 PolarHBondContact O-N 2.96Å; E138-C140 PolarHBondContact O-N 3.12Å; E138-S141 WeakPolarHBondContact O-CB 3.29Å; E138-S141 PolarHBondContact O-N 3.35Å; E138-S141 VanDerWaalsContact O-N 3.14Å; E138-E142 PolarHBondContact O-N 3.31Å
139A98.5Very high97.7Very high4 Ų454.7 Ų54.73%0.03329%0.289CS..Hα-helixtrans-64-39.617600000112.6K114 F115 K135 F136 S141 E142 L143K114-A139 HydrophobicContact CB-CB 4.34Å; F115-A139 HydrophobicContact CB-CB 4.15Å; K135-A139 PolarHBondContact O-N 3.06Å; F136-A139 WeakPolarHBondContact O-CB 3.28Å; F136-A139 PolarHBondContact O-N 3.29Å; F136-A139 VanDerWaalsContact O-N 3.16Å; A139-S141 VanDerWaalsContact C-N 3.28Å; A139-S141 PolarHBondContact O-N 2.79Å; A139-E142 PolarHBondContact O-N 2.49Å; A139-L143 WeakPolarHBondContact O-CG 3.45Å; A139-L143 PolarHBondContact O-N 3.38Å
140C98.2Very high97.7Very high0 Ų057.1 Ų57.10%029%0.293CS..Hα-helixtrans-59.5-41.3171.7-63.80000111.6F136 R137 E138 L143 E144 W202 L205F136-C140 PolarHBondContact O-N 3.14Å; F136-C140 PolarHBondContact O-SG 3.19Å; R137-C140 WeakPolarHBondContact O-CB 3.39Å; R137-C140 PolarHBondContact O-N 2.86Å; E138-C140 PolarHBondContact O-N 3.12Å; C140-L143 PolarHBondContact O-N 3.06Å; C140-E144 WeakPolarHBondContact O-CB 3.44Å; C140-E144 PolarHBondContact O-N 2.9Å; C140-W202 HydrophobicContact CB-CD2 3.63Å; C140-W202 HydrophobicContact CB-CE3 4.05Å; C140-W202 HydrophobicContact CB-CG 4.15Å; C140-W202 HydrophobicContact CB-CH2 4.04Å; C140-W202 HydrophobicContact CB-CZ2 3.62Å; C140-W202 HydrophobicContact CB-CZ3 4.23Å; C140-L205 HydrophobicContact CB-CD2 4.09Å
141S98.3Very high97.7Very high46 Ų4651.6 Ų51.632%0.32227%0.267SS..Hα-helixtrans-71.3-33.8-179.9-52.80000112.2R137 E138 A139 N145 W202R137-S141 WeakPolarHBondContact O-CB 3.34Å; R137-S141 PolarHBondContact O-N 3.05Å; R137-S141 PolarHBondContact O-OG 3.4Å; E138-S141 WeakPolarHBondContact O-CB 3.29Å; E138-S141 PolarHBondContact O-N 3.35Å; E138-S141 VanDerWaalsContact O-N 3.14Å; A139-S141 VanDerWaalsContact C-N 3.28Å; A139-S141 PolarHBondContact O-N 2.79Å; S141-N145 PolarHBondContact O-N 2.71Å; S141-N145 PolarHBondContact O-ND2 2.79Å; S141-W202 PolarHBondContact OG-NE1 3.37Å
142E98.2Very high97.7Very high70 Ų7049.5 Ų49.533%0.32725%0.25SS..Hα-helixtrans-67.2-44.1172.3-164.8176.7163.800111L111 K114 E138 A139 N145 L146L111-E142 HydrophobicContact CD2-CB 4.27Å; L111-E142 HydrophobicContact CD2-CG 3.69Å; L111-E142 WeakPolarHBondContact CD2-OE1 3.4Å; K114-E142 WeakPolarHBondContact CD-OE2 3.19Å; K114-E142 IonicContact NZ-OE1 2.72Å; K114-E142 PolarHBondContact NZ-OE1 3.33Å; K114-E142 IonicContact NZ-OE2 3.4Å; K114-E142 PolarHBondContact NZ-OE2 2.82Å; E138-E142 PolarHBondContact O-N 3.31Å; A139-E142 PolarHBondContact O-N 2.49Å; E142-N145 PolarHBondContact O-N 3.47Å; E142-L146 HydrophobicContact CG-CD1 4.07Å; E142-L146 WeakPolarHBondContact O-CG 3.27Å; E142-L146 PolarHBondContact O-N 3.3Å; E142-L146 VanDerWaalsContact O-N 3.14Å
143L98.2Very high97.7Very high0 Ų049.7 Ų49.70%026%0.256CS..Hα-helixtrans-60.4-44.3174.2-75.2165.3000112.2L111 F115 A139 C140 N145 L146 I147 L164 I168 L205L111-L143 HydrophobicContact CB-CD2 3.94Å; L111-L143 HydrophobicContact CD1-CD2 4.21Å; L111-L143 HydrophobicContact CG-CD2 4.49Å; F115-L143 HydrophobicContact CB-CD1 4.21Å; F115-L143 HydrophobicContact CD2-CD1 3.62Å; F115-L143 HydrophobicContact CE2-CD1 4.31Å; F115-L143 HydrophobicContact CG-CD1 4.22Å; A139-L143 WeakPolarHBondContact O-CG 3.45Å; A139-L143 PolarHBondContact O-N 3.38Å; C140-L143 PolarHBondContact O-N 3.06Å; L143-N145 VanDerWaalsContact C-N 3.27Å; L143-N145 PolarHBondContact O-N 3.14Å; L143-L146 PolarHBondContact O-N 3.48Å; L143-I147 HydrophobicContact CB-CD1 4.3Å; L143-I147 HydrophobicContact CD2-CD1 4.17Å; L143-I147 WeakPolarHBondContact O-CB 3.42Å; L143-I147 WeakPolarHBondContact O-CG1 3.46Å; L143-I147 PolarHBondContact O-N 2.96Å; L143-L164 HydrophobicContact CD2-CD1 3.85Å; L143-L164 HydrophobicContact CD2-CD2 3.97Å; L143-I168 HydrophobicContact CD1-CG2 3.71Å; L143-L205 HydrophobicContact CB-CD1 4.34Å; L143-L205 HydrophobicContact CD1-CD1 4.34Å
144E97.7Very high97.6Very high21 Ų2150.4 Ų50.410%0.09826%0.263CS..Hα-helixtrans-56.7-40.517817660-161.800113C140 W202 P203 N204 L205C140-E144 WeakPolarHBondContact O-CB 3.44Å; C140-E144 PolarHBondContact O-N 2.9Å; E144-W202 HydrophobicContact CB-CB 4.11Å; E144-W202 HydrophobicContact CB-CG 4.22Å; E144-W202 HydrophobicContact CG-CB 4.21Å; E144-W202 WeakPolarHBondContact OE2-CA 3.48Å; E144-W202 WeakPolarHBondContact OE2-CB 3.4Å; E144-P203 WeakPolarHBondContact OE1-CD 3.42Å; E144-P203 WeakPolarHBondContact OE1-CG 3.33Å; E144-N204 VanDerWaalsContact CD-N 3.31Å; E144-N204 PolarHBondContact O-ND2 3.24Å; E144-N204 WeakPolarHBondContact OE1-CB 3.08Å; E144-N204 VanDerWaalsContact OE1-CG 3.24Å; E144-N204 PolarHBondContact OE1-N 3.05Å; E144-N204 PolarHBondContact OE1-ND2 3.16Å; E144-N204 WeakPolarHBondContact OE2-CA 3.42Å; E144-N204 VanDerWaalsContact OE2-CB 3.32Å; E144-N204 WeakPolarHBondContact OE2-CB 3.23Å; E144-N204 PolarHBondContact OE2-N 2.91Å; E144-L205 PolarHBondContact OE2-N 3.16Å
145N97.4Very high97.5Very high128 Ų12853.2 Ų53.268%0.68428%0.276SS*.Hα-helixtrans-76.5-31.5-179.4-73.6-49.4000112.7S141 E142 L143S141-N145 PolarHBondContact O-N 2.71Å; S141-N145 PolarHBondContact O-ND2 2.79Å; E142-N145 PolarHBondContact O-N 3.47Å; L143-N145 VanDerWaalsContact C-N 3.27Å; L143-N145 PolarHBondContact O-N 3.14Å
146L96.8Very high97.5Very high84 Ų8454.8 Ų54.844%0.4429%0.285SS..Hα-helixtrans-87.3-33.2-176.5-69.8174.7000112.8L111 E142 L143 N148L111-L146 HydrophobicContact CD1-CD1 3.49Å; L111-L146 VanDerWaalsContact CD1-CD1 3.49Å; L111-L146 HydrophobicContact CD2-CD1 3.87Å; L111-L146 HydrophobicContact CG-CD1 4.24Å; E142-L146 HydrophobicContact CG-CD1 4.07Å; E142-L146 WeakPolarHBondContact O-CG 3.27Å; E142-L146 PolarHBondContact O-N 3.3Å; E142-L146 VanDerWaalsContact O-N 3.14Å; L143-L146 PolarHBondContact O-N 3.48Å; L146-N148 PolarHBondContact O-N 2.89Å; L146-N148 VanDerWaalsContact O-N 3.15Å
147I96.4Very high97.4Very high1 Ų155.6 Ų55.61%0.00529%0.29CS..  trans-82.593.8175.9-58.5167.3000108.3L143 F152 L164 N204 L205 Y208L143-I147 HydrophobicContact CB-CD1 4.3Å; L143-I147 HydrophobicContact CD2-CD1 4.17Å; L143-I147 WeakPolarHBondContact O-CB 3.42Å; L143-I147 WeakPolarHBondContact O-CG1 3.46Å; L143-I147 PolarHBondContact O-N 2.96Å; I147-F152 HydrophobicContact CG1-CD2 4Å; I147-L164 HydrophobicContact CD1-CD2 4.34Å; I147-N204 WeakPolarHBondContact O-CB 3.43Å; I147-N204 PolarHBondContact O-ND2 3.36Å; I147-L205 HydrophobicContact CD1-CD1 4.36Å; I147-Y208 HydrophobicContact CD1-CD1 4.24Å; I147-Y208 HydrophobicContact CD1-CD2 4.25Å; I147-Y208 HydrophobicContact CD1-CG 3.97Å; I147-Y208 HydrophobicContact CG2-CD2 3.76Å; I147-Y208 HydrophobicContact CG2-CG 4.1Å
148N93.9Very high97.4Very high125 Ų12552.2 Ų52.267%0.66828%0.277SS*.  trans-114.29.3-177.366.315.9000113.8L146L146-N148 PolarHBondContact O-N 2.89Å; L146-N148 VanDerWaalsContact O-N 3.15Å
149S96.3Very high97.4Very high42 Ų4246.5 Ų46.529%0.29425%0.25SS..SBendtrans-140-178.3-173.7-64.10000110.1Y151 G154S149-Y151 VanDerWaalsContact C-N 3.28Å; S149-Y151 PolarHBondContact O-N 3.42Å; S149-G154 WeakPolarHBondContact CB-O 3.14Å
150K97.6Very high97.4Very high102 Ų10246.3 Ų46.344%0.44325%0.249SC..SBendtrans-57.5-39.9179.3-174.4179.6179.9-155.90113N155 T211K150-N155 PolarHBondContact N-OD1 2.92Å; K150-T211 HydrophobicContact CD-CG2 4.35Å; K150-T211 HydrophobicContact CG-CG2 3.75Å
151Y98.4Very high97.5Very high13 Ų1346.3 Ų46.35%0.05125%0.249CC..BIsolated β-bridgetrans-126.2175178.3-56.8-77.8000110S149 A153 G154 N155 L157 D161 T211 M212 E215S149-Y151 VanDerWaalsContact C-N 3.28Å; S149-Y151 PolarHBondContact O-N 3.42Å; Y151-A153 PolarHBondContact O-N 3.19Å; Y151-G154 CarbonylContact C-O 3.48Å; Y151-G154 WeakPolarHBondContact CA-O 3.4Å; Y151-G154 WeakPolarHBondContact CB-O 3.35Å; Y151-G154 PolarHBondContact N-O 2.9Å; Y151-G154 PolarHBondContact O-N 3.5Å; Y151-G154 VanDerWaalsContact O-O 3.08Å; Y151-N155 WeakPolarHBondContact CE2-O 3.16Å; Y151-L157 HydrophobicContact CD1-CB 4.23Å; Y151-L157 HydrophobicContact CD1-CD1 3.69Å; Y151-L157 HydrophobicContact CD2-CB 4.46Å; Y151-L157 HydrophobicContact CE1-CB 3.96Å; Y151-L157 HydrophobicContact CE1-CD1 3.63Å; Y151-L157 HydrophobicContact CE1-CG 4.4Å; Y151-L157 HydrophobicContact CE2-CB 4.18Å; Y151-L157 VanDerWaalsContact CE2-N 3.33Å; Y151-L157 HydrophobicContact CG-CB 4.46Å; Y151-D161 WeakPolarHBondContact CB-OD1 3.41Å; Y151-T211 HydrophobicContact CE1-CG2 4.03Å; Y151-M212 HydrophobicContact CD1-SD 3.94Å; Y151-M212 HydrophobicContact CE1-SD 4.13Å; Y151-E215 PolarHBondContact OH-OE1 3.32Å
152F98.1Very high97.5Very high15 Ų1544.1 Ų44.17%0.06623%0.233CC..THydrogen-bonded Turntrans-60.5-46-172.5-178.5-94000112.6N104 N107 A108 L111 I147 A160 D161 L164 Y208N104-F152 HydrophobicContact CB-CE1 4.43Å; N104-F152 WeakPolarHBondContact O-CE1 3.49Å; N107-F152 HydrophobicContact CB-CE1 4.34Å; N107-F152 HydrophobicContact CB-CZ 4.23Å; A108-F152 HydrophobicContact CB-CD1 3.84Å; A108-F152 HydrophobicContact CB-CE1 3.65Å; A108-F152 HydrophobicContact CB-CE2 4.39Å; A108-F152 HydrophobicContact CB-CG 4.28Å; A108-F152 HydrophobicContact CB-CZ 3.95Å; L111-F152 HydrophobicContact CD1-CE2 3.5Å; L111-F152 VanDerWaalsContact CD1-CE2 3.5Å; L111-F152 HydrophobicContact CD1-CZ 3.61Å; I147-F152 HydrophobicContact CG1-CD2 4Å; F152-A160 HydrophobicContact CB-CB 4.43Å; F152-A160 HydrophobicContact CD1-CB 3.64Å; F152-A160 HydrophobicContact CE1-CB 4.38Å; F152-A160 HydrophobicContact CG-CB 4.35Å; F152-D161 VanDerWaalsContact CB-OD1 3.27Å; F152-D161 WeakPolarHBondContact CB-OD1 3.46Å; F152-D161 PolarHBondContact N-OD1 3.31Å; F152-L164 HydrophobicContact CB-CD2 4.48Å; F152-L164 HydrophobicContact CD2-CD2 3.5Å; F152-L164 VanDerWaalsContact CD2-CD2 3.5Å; F152-L164 HydrophobicContact CE2-CD2 4.07Å; F152-L164 HydrophobicContact CG-CD2 4.21Å; F152-Y208 HydrophobicContact CB-CE2 4.33Å
153A96.6Very high97.5Very high32 Ų3240.8 Ų40.826%0.26422%0.218SC..THydrogen-bonded Turntrans-97.314.5-176.800000113.6C100 N104 Y151C100-A153 HydrophobicContact CB-CB 3.56Å; N104-A153 HydrophobicContact CB-CB 4.03Å; Y151-A153 PolarHBondContact O-N 3.19Å
154G96.7Very high97.5Very high17 Ų1740.8 Ų40.818%0.17522%0.218CC..BIsolated β-bridgetrans132.5-144.1179.500000113.4S149 Y151S149-G154 WeakPolarHBondContact CB-O 3.14Å; Y151-G154 CarbonylContact C-O 3.48Å; Y151-G154 WeakPolarHBondContact CA-O 3.4Å; Y151-G154 WeakPolarHBondContact CB-O 3.35Å; Y151-G154 PolarHBondContact N-O 2.9Å; Y151-G154 PolarHBondContact O-N 3.5Å; Y151-G154 VanDerWaalsContact O-O 3.08Å
155N97.2Very high97.6Very high121 Ų12139.8 Ų39.865%0.64721%0.213SC*.SBendtrans-93.9-0.9-174.4-71-41.5000114.7K150 Y151K150-N155 PolarHBondContact N-OD1 2.92Å; Y151-N155 WeakPolarHBondContact CE2-O 3.16Å
156Q97.2Very high97.6Very high138 Ų13833.7 Ų33.765%0.64518%0.181SC*.SBendtrans-113.5139.8175.4-64.6-175.640.800110V99V99-Q156 HydrophobicContact CG1-CB 3.71Å
157L98.1Very high97.7Very high18 Ų1829.9 Ų29.99%0.09416%0.16CC..  trans-60.5139.6173.3-17876.2000109.4Y38 L96 Y151 D161 L162 M212 F217Y38-L157 HydrophobicContact CD2-CD2 3.71Å; Y38-L157 HydrophobicContact CE2-CD2 3.45Å; Y38-L157 VanDerWaalsContact CE2-CD2 3.45Å; L96-L157 HydrophobicContact CD2-CD2 4.34Å; L96-L157 HydrophobicContact CD2-CG 4.3Å; L96-L157 WeakPolarHBondContact CD2-O 3.1Å; Y151-L157 HydrophobicContact CD1-CB 4.23Å; Y151-L157 HydrophobicContact CD1-CD1 3.69Å; Y151-L157 HydrophobicContact CD2-CB 4.46Å; Y151-L157 HydrophobicContact CE1-CB 3.96Å; Y151-L157 HydrophobicContact CE1-CD1 3.63Å; Y151-L157 HydrophobicContact CE1-CG 4.4Å; Y151-L157 HydrophobicContact CE2-CB 4.18Å; Y151-L157 VanDerWaalsContact CE2-N 3.33Å; Y151-L157 HydrophobicContact CG-CB 4.46Å; L157-D161 HydrophobicContact CD1-CB 3.8Å; L157-L162 HydrophobicContact CD1-CD1 4.07Å; L157-L162 HydrophobicContact CD2-CD1 4.36Å; L157-L162 HydrophobicContact CG-CD1 4.28Å; L157-M212 HydrophobicContact CD1-CE 4.05Å; L157-M212 HydrophobicContact CD1-SD 3.73Å; L157-F217 HydrophobicContact CD1-CZ 4.27Å; L157-F217 HydrophobicContact CD2-CE1 3.5Å; L157-F217 VanDerWaalsContact CD2-CE1 3.5Å; L157-F217 HydrophobicContact CD2-CZ 3.63Å
158S98.1Very high97.8Very high0 Ų029.8 Ų29.80%016%0.16CC..  trans-143.1175.1-17671.50000112.2A160 D161S158-A160 PolarHBondContact O-N 2.97Å; S158-A160 WeakPolarHBondContact OG-CB 3.29Å; S158-A160 PolarHBondContact OG-N 3.29Å; S158-D161 PolarHBondContact N-OD2 2.95Å; S158-D161 WeakPolarHBondContact O-CB 2.96Å; S158-D161 PolarHBondContact O-N 2.89Å; S158-D161 VanDerWaalsContact O-N 3.09Å; S158-D161 PolarHBondContact OG-OD2 3.25Å
159L98.4Very high97.9Very high0 Ų023.9 Ų23.90%013%0.128CC..Hα-helixtrans-73.6-22.2-177.7-160.169.9000110.7M83 R84 D87 L96 M97 F105 D161 L162 I163M83-L159 HydrophobicContact CB-CD1 4.46Å; M83-L159 HydrophobicContact CE-CD1 3.8Å; M83-L159 HydrophobicContact CE-CG 3.94Å; R84-L159 HydrophobicContact CG-CD2 4.16Å; D87-L159 HydrophobicContact CB-CD1 4.26Å; D87-L159 HydrophobicContact CB-CD2 4.33Å; L96-L159 HydrophobicContact CB-CB 3.82Å; L96-L159 HydrophobicContact CB-CD1 4.2Å; L96-L159 HydrophobicContact CD1-CD1 4.37Å; L96-L159 PolarHBondContact O-N 2.79Å; M97-L159 HydrophobicContact CB-CB 4.45Å; M97-L159 HydrophobicContact CB-CD2 4.15Å; M97-L159 HydrophobicContact CE-CD2 3.81Å; F105-L159 HydrophobicContact CD2-CB 3.99Å; F105-L159 HydrophobicContact CD2-CD2 3.99Å; F105-L159 HydrophobicContact CD2-CG 4.01Å; F105-L159 HydrophobicContact CE2-CB 4.21Å; F105-L159 HydrophobicContact CE2-CD2 3.58Å; F105-L159 HydrophobicContact CE2-CG 3.69Å; F105-L159 HydrophobicContact CZ-CD2 4.31Å; L159-D161 PolarHBondContact O-N 3.49Å; L159-L162 HydrophobicContact CD1-CB 4.4Å; L159-L162 HydrophobicContact CD1-CD2 4.38Å; L159-L162 PolarHBondContact O-N 3.27Å; L159-I163 PolarHBondContact O-N 2.74Å
160A98.6Very high98Very high0 Ų021.9 Ų21.90%011%0.114CC..Hα-helixtrans-57.4-35.3169.800000111.5C100 A108 F152 S158 I163 L164C100-A160 HydrophobicContact CB-CB 3.95Å; A108-A160 HydrophobicContact CB-CB 3.72Å; A108-A160 WeakPolarHBondContact CB-O 3.45Å; F152-A160 HydrophobicContact CB-CB 4.43Å; F152-A160 HydrophobicContact CD1-CB 3.64Å; F152-A160 HydrophobicContact CE1-CB 4.38Å; F152-A160 HydrophobicContact CG-CB 4.35Å; S158-A160 PolarHBondContact O-N 2.97Å; S158-A160 WeakPolarHBondContact OG-CB 3.29Å; S158-A160 PolarHBondContact OG-N 3.29Å; A160-I163 VanDerWaalsContact O-CG2 3.3Å; A160-I163 WeakPolarHBondContact O-CG2 3.21Å; A160-L164 VanDerWaalsContact O-CB 3.25Å; A160-L164 WeakPolarHBondContact O-CB 3.45Å; A160-L164 PolarHBondContact O-N 3.46Å
161D98.8Very high97.9Very high0 Ų017 Ų170%09%0.093CC..Hα-helixtrans-70.7-45177-58.7-71.1000112Y151 F152 L157 S158 L159 I163 L164 F165 Y208 M212Y151-D161 WeakPolarHBondContact CB-OD1 3.41Å; F152-D161 VanDerWaalsContact CB-OD1 3.27Å; F152-D161 WeakPolarHBondContact CB-OD1 3.46Å; F152-D161 PolarHBondContact N-OD1 3.31Å; L157-D161 HydrophobicContact CD1-CB 3.8Å; S158-D161 PolarHBondContact N-OD2 2.95Å; S158-D161 WeakPolarHBondContact O-CB 2.96Å; S158-D161 PolarHBondContact O-N 2.89Å; S158-D161 VanDerWaalsContact O-N 3.09Å; S158-D161 PolarHBondContact OG-OD2 3.25Å; L159-D161 PolarHBondContact O-N 3.49Å; D161-I163 VanDerWaalsContact C-N 3.26Å; D161-I163 PolarHBondContact O-N 3.38Å; D161-L164 PolarHBondContact O-N 3.4Å; D161-F165 WeakPolarHBondContact O-CB 3.29Å; D161-F165 PolarHBondContact O-N 3.08Å; D161-Y208 VanDerWaalsContact CA-OH 3.26Å; D161-Y208 WeakPolarHBondContact CA-OH 3.34Å; D161-Y208 WeakPolarHBondContact CB-OH 3.23Å; D161-Y208 VanDerWaalsContact OD1-CE2 3.23Å; D161-Y208 WeakPolarHBondContact OD1-CE2 3.46Å; D161-Y208 PolarHBondContact OD1-OH 3.09Å; D161-M212 HydrophobicContact CB-CE 3.96Å; D161-M212 HydrophobicContact CB-SD 3.99Å
162L98.6Very high97.8Very high0 Ų016.5 Ų16.50%09%0.091CC..Hα-helixtrans-68.5-25.7-178.8-8364.3000112.5L34 M83 L96 L157 L159 P166 F217L34-L162 HydrophobicContact CB-CD2 4.35Å; L34-L162 HydrophobicContact CB-CG 4.25Å; M83-L162 HydrophobicContact CE-CB 3.69Å; L96-L162 HydrophobicContact CD1-CD1 3.97Å; L96-L162 HydrophobicContact CD1-CD2 3.74Å; L96-L162 HydrophobicContact CD1-CG 4.49Å; L157-L162 HydrophobicContact CD1-CD1 4.07Å; L157-L162 HydrophobicContact CD2-CD1 4.36Å; L157-L162 HydrophobicContact CG-CD1 4.28Å; L159-L162 HydrophobicContact CD1-CB 4.4Å; L159-L162 HydrophobicContact CD1-CD2 4.38Å; L159-L162 PolarHBondContact O-N 3.27Å; L162-P166 WeakPolarHBondContact O-CD 3.39Å; L162-P166 WeakPolarHBondContact O-CG 3.44Å; L162-F217 HydrophobicContact CD1-CE2 4.09Å; L162-F217 HydrophobicContact CD1-CZ 3.94Å; L162-F217 HydrophobicContact CD2-CE2 4.36Å; L162-F217 HydrophobicContact CG-CE2 4.21Å
163I98.6Very high97.7Very high0 Ų016 Ų160%09%0.089CC..Hα-helixtrans-82.7-32.6175.9-162.4156.4000112.2R31 D80 M83 F105 A108 M109 L159 A160 D161R31-I163 VanDerWaalsContact CZ-CG1 3.49Å; R31-I163 VanDerWaalsContact CZ-O 3.31Å; R31-I163 PolarHBondContact NE-O 2.69Å; R31-I163 PolarHBondContact NH2-O 3.41Å; D80-I163 HydrophobicContact CB-CD1 3.82Å; M83-I163 HydrophobicContact CE-CB 3.86Å; M83-I163 HydrophobicContact SD-CB 4.24Å; M83-I163 HydrophobicContact SD-CD1 4.35Å; M83-I163 HydrophobicContact SD-CG1 4.25Å; F105-I163 HydrophobicContact CD2-CG2 4.11Å; F105-I163 HydrophobicContact CE1-CD1 3.93Å; F105-I163 HydrophobicContact CE2-CB 3.93Å; F105-I163 HydrophobicContact CE2-CD1 3.7Å; F105-I163 HydrophobicContact CE2-CG1 4.42Å; F105-I163 HydrophobicContact CE2-CG2 3.92Å; F105-I163 HydrophobicContact CZ-CB 4.42Å; F105-I163 HydrophobicContact CZ-CD1 3.28Å; F105-I163 HydrophobicContact CZ-CG1 4.43Å; A108-I163 HydrophobicContact CB-CG2 3.84Å; M109-I163 HydrophobicContact CB-CD1 3.92Å; M109-I163 HydrophobicContact CB-CG1 4.42Å; M109-I163 HydrophobicContact CG-CD1 3.83Å; M109-I163 HydrophobicContact CG-CG1 4.45Å; M109-I163 HydrophobicContact SD-CD1 3.76Å; L159-I163 PolarHBondContact O-N 2.74Å; A160-I163 VanDerWaalsContact O-CG2 3.3Å; A160-I163 WeakPolarHBondContact O-CG2 3.21Å; D161-I163 VanDerWaalsContact C-N 3.26Å; D161-I163 PolarHBondContact O-N 3.38Å
164L98.7Very high97.7Very high0 Ų014.4 Ų14.40%08%0.077CC..Hα-helixtrans-81-53.1-178.8177.860.8000112.4A108 L111 L143 I147 F152 A160 D161 M167 I168 Y208A108-L164 HydrophobicContact CB-CB 4.27Å; L111-L164 HydrophobicContact CB-CD1 4.48Å; L143-L164 HydrophobicContact CD2-CD1 3.85Å; L143-L164 HydrophobicContact CD2-CD2 3.97Å; I147-L164 HydrophobicContact CD1-CD2 4.34Å; F152-L164 HydrophobicContact CB-CD2 4.48Å; F152-L164 HydrophobicContact CD2-CD2 3.5Å; F152-L164 VanDerWaalsContact CD2-CD2 3.5Å; F152-L164 HydrophobicContact CE2-CD2 4.07Å; F152-L164 HydrophobicContact CG-CD2 4.21Å; A160-L164 VanDerWaalsContact O-CB 3.25Å; A160-L164 WeakPolarHBondContact O-CB 3.45Å; A160-L164 PolarHBondContact O-N 3.46Å; D161-L164 PolarHBondContact O-N 3.4Å; L164-M167 WeakPolarHBondContact O-CB 3.35Å; L164-M167 PolarHBondContact O-N 3.38Å; L164-I168 HydrophobicContact CD1-CG2 3.73Å; L164-I168 HydrophobicContact CG-CD1 4.2Å; L164-I168 HydrophobicContact CG-CG1 4.38Å; L164-I168 HydrophobicContact CG-CG2 4.28Å; L164-I168 PolarHBondContact O-N 2.87Å; L164-Y208 HydrophobicContact CD2-CE1 4.43Å
165F98.7Very high97.7Very high0 Ų013.6 Ų13.60%07%0.068CC..Hα-helixtrans-52.8-48.3-167.4172.4-103.2000114.1L34 D161 M167 I168 D169 Y208 L209 M212 R213 V218L34-F165 HydrophobicContact CD1-CD1 3.8Å; L34-F165 HydrophobicContact CD1-CE1 4.35Å; D161-F165 WeakPolarHBondContact O-CB 3.29Å; D161-F165 PolarHBondContact O-N 3.08Å; F165-M167 PolarHBondContact O-N 2.94Å; F165-I168 WeakPolarHBondContact O-CG1 3.46Å; F165-I168 PolarHBondContact O-N 2.97Å; F165-I168 VanDerWaalsContact O-N 3.12Å; F165-D169 HydrophobicContact CD2-CB 4.42Å; F165-D169 HydrophobicContact CE1-CB 4.28Å; F165-D169 HydrophobicContact CE2-CB 3.99Å; F165-D169 HydrophobicContact CZ-CB 3.91Å; F165-D169 VanDerWaalsContact O-CB 3.29Å; F165-D169 WeakPolarHBondContact O-CB 3.31Å; F165-D169 PolarHBondContact O-N 3.3Å; F165-Y208 HydrophobicContact CB-CE1 4.44Å; F165-Y208 HydrophobicContact CD2-CE1 4.4Å; F165-L209 HydrophobicContact CD2-CD2 4.21Å; F165-L209 HydrophobicContact CE2-CD2 4.03Å; F165-M212 HydrophobicContact CB-CE 3.81Å; F165-M212 HydrophobicContact CB-CG 4.37Å; F165-M212 HydrophobicContact CD1-CE 4.25Å; F165-M212 HydrophobicContact CD2-CB 3.34Å; F165-M212 HydrophobicContact CD2-CG 3.82Å; F165-M212 HydrophobicContact CE2-CB 3.46Å; F165-M212 VanDerWaalsContact CE2-CB 3.46Å; F165-M212 HydrophobicContact CE2-CG 4.42Å; F165-M212 HydrophobicContact CG-CB 3.9Å; F165-M212 HydrophobicContact CG-CE 3.93Å; F165-M212 HydrophobicContact CG-CG 4.17Å; F165-M212 HydrophobicContact CZ-CB 4.12Å; F165-R213 HydrophobicContact CE2-CG 4.07Å; F165-R213 HydrophobicContact CZ-CG 3.86Å; F165-V218 HydrophobicContact CD1-CG1 4.34Å; F165-V218 HydrophobicContact CE1-CG1 3.44Å; F165-V218 VanDerWaalsContact CE1-CG1 3.44Å; F165-V218 HydrophobicContact CZ-CG1 3.81Å
166P98.5Very high97.6Very high0 Ų08 Ų80%04%0.038CC..Hα-helixtrans-56.7-29.9-179.5-29.938.7000114.8P27 E30 R31 L34 L162P27-P166 HydrophobicContact CB-CB 4.08Å; P27-P166 WeakPolarHBondContact CB-O 3.35Å; P27-P166 WeakPolarHBondContact O-CB 3.5Å; E30-P166 HydrophobicContact CB-CB 4.03Å; E30-P166 HydrophobicContact CB-CG 4.39Å; E30-P166 HydrophobicContact CG-CB 4.06Å; E30-P166 HydrophobicContact CG-CG 4.17Å; R31-P166 HydrophobicContact CG-CB 4.23Å; R31-P166 HydrophobicContact CG-CG 3.84Å; L34-P166 HydrophobicContact CD1-CG 3.75Å; L162-P166 WeakPolarHBondContact O-CD 3.39Å; L162-P166 WeakPolarHBondContact O-CG 3.44Å
167M98.1Very high97.5Very high3 Ų32.7 Ų2.72%0.0151%0.014CC..Hα-helixtrans-75.9-47.9178.5-65.3-57.517000111P27 F28 F115 F116 L164 F165 D169P27-M167 HydrophobicContact CB-CE 4.04Å; P27-M167 HydrophobicContact CB-SD 3.66Å; P27-M167 HydrophobicContact CG-CE 4.03Å; P27-M167 HydrophobicContact CG-SD 3.62Å; F28-M167 HydrophobicContact CD1-CE 3.51Å; F28-M167 HydrophobicContact CD2-CE 3.98Å; F28-M167 HydrophobicContact CE1-CE 3.37Å; F28-M167 HydrophobicContact CE2-CE 3.85Å; F28-M167 HydrophobicContact CG-CE 3.81Å; F28-M167 HydrophobicContact CZ-CE 3.55Å; F115-M167 WeakPolarHBondContact CE1-O 3.21Å; F116-M167 HydrophobicContact CB-CB 4.08Å; F116-M167 HydrophobicContact CB-CG 4.25Å; F116-M167 HydrophobicContact CB-SD 3.85Å; F116-M167 HydrophobicContact CD1-SD 3.67Å; F116-M167 HydrophobicContact CD2-CB 4.31Å; F116-M167 HydrophobicContact CD2-SD 3.82Å; F116-M167 HydrophobicContact CE1-SD 4.18Å; F116-M167 HydrophobicContact CE2-SD 4.31Å; F116-M167 HydrophobicContact CG-CB 4.38Å; F116-M167 HydrophobicContact CG-CG 4.43Å; F116-M167 HydrophobicContact CG-SD 3.48Å; F116-M167 WeakPolarHBondContact CG-SD 3.5Å; F116-M167 HydrophobicContact CZ-SD 4.49Å; L164-M167 WeakPolarHBondContact O-CB 3.35Å; L164-M167 PolarHBondContact O-N 3.38Å; F165-M167 PolarHBondContact O-N 2.94Å; M167-D169 VanDerWaalsContact C-N 3.3Å; M167-D169 PolarHBondContact O-N 3.35Å
168I97.6Very high97.4Very high0 Ų02.8 Ų2.80%02%0.015CC..Hα-helixtrans-78.8-15.9-175.965.2160.9000113F115 L143 L164 F165 Y170 F171 L205 Y208 L209F115-I168 HydrophobicContact CB-CG2 4.3Å; F115-I168 HydrophobicContact CD1-CB 4.42Å; F115-I168 HydrophobicContact CD1-CG2 3.91Å; F115-I168 HydrophobicContact CD2-CG2 4.01Å; F115-I168 HydrophobicContact CE1-CB 4.2Å; F115-I168 HydrophobicContact CE1-CG2 4.18Å; F115-I168 HydrophobicContact CE2-CB 4.38Å; F115-I168 HydrophobicContact CE2-CG2 4.21Å; F115-I168 HydrophobicContact CG-CG2 3.81Å; F115-I168 HydrophobicContact CZ-CB 4.13Å; F115-I168 HydrophobicContact CZ-CG2 4.28Å; L143-I168 HydrophobicContact CD1-CG2 3.71Å; L164-I168 HydrophobicContact CD1-CG2 3.73Å; L164-I168 HydrophobicContact CG-CD1 4.2Å; L164-I168 HydrophobicContact CG-CG1 4.38Å; L164-I168 HydrophobicContact CG-CG2 4.28Å; L164-I168 PolarHBondContact O-N 2.87Å; F165-I168 WeakPolarHBondContact O-CG1 3.46Å; F165-I168 PolarHBondContact O-N 2.97Å; F165-I168 VanDerWaalsContact O-N 3.12Å; I168-Y170 PolarHBondContact O-N 2.83Å; I168-F171 WeakPolarHBondContact O-CB 3.31Å; I168-F171 PolarHBondContact O-N 2.79Å; I168-L205 HydrophobicContact CD1-CD1 3.78Å; I168-Y208 HydrophobicContact CD1-CD1 3.57Å; I168-Y208 HydrophobicContact CD1-CE1 3.54Å; I168-L209 HydrophobicContact CD1-CD2 3.8Å; I168-L209 HydrophobicContact CD1-CG 4.35Å; I168-L209 HydrophobicContact CG1-CD2 3.87Å
169D97.7Very high97.2Very high0 Ų05.2 Ų5.20%03%0.026CC..THydrogen-bonded Turntrans-68.2-3.6176.8-169.750.9000113.8F165 M167 F171 R213 R222 K228F165-D169 HydrophobicContact CD2-CB 4.42Å; F165-D169 HydrophobicContact CE1-CB 4.28Å; F165-D169 HydrophobicContact CE2-CB 3.99Å; F165-D169 HydrophobicContact CZ-CB 3.91Å; F165-D169 VanDerWaalsContact O-CB 3.29Å; F165-D169 WeakPolarHBondContact O-CB 3.31Å; F165-D169 PolarHBondContact O-N 3.3Å; M167-D169 VanDerWaalsContact C-N 3.3Å; M167-D169 PolarHBondContact O-N 3.35Å; D169-F171 VanDerWaalsContact C-N 3.33Å; D169-R213 IonicContact OD1-CZ 2.69Å; D169-R213 VanDerWaalsContact OD1-CZ 3.31Å; D169-R213 IonicContact OD1-NE 3.28Å; D169-R213 PolarHBondContact OD1-NE 3.44Å; D169-R213 IonicContact OD1-NH2 2.74Å; D169-R213 PolarHBondContact OD1-NH2 3.17Å; D169-R222 VanDerWaalsContact CG-NH2 3.32Å; D169-R222 IonicContact OD1-CZ 3.72Å; D169-R222 VanDerWaalsContact OD1-CZ 3.27Å; D169-R222 IonicContact OD1-NE 3.44Å; D169-R222 PolarHBondContact OD1-NE 3.22Å; D169-R222 IonicContact OD1-NH2 2.8Å; D169-R222 PolarHBondContact OD1-NH2 2.83Å; D169-R222 IonicContact OD2-CZ 2.68Å; D169-R222 VanDerWaalsContact OD2-CZ 3.28Å; D169-R222 IonicContact OD2-NE 2.87Å; D169-R222 PolarHBondContact OD2-NE 2.95Å; D169-R222 IonicContact OD2-NH2 3.71Å; D169-R222 PolarHBondContact OD2-NH2 3.37Å; D169-R222 VanDerWaalsContact OD2-NH2 3.1Å; D169-K228 IonicContact OD2-NZ 3.95Å; D169-K228 PolarHBondContact OD2-NZ 2.91Å
170Y97.3Very high96.9Very high0 Ų013.1 Ų13.10%06%0.063CC..THydrogen-bonded Turntrans-860.3166.4-81.4-90.1000114F25 P27 F116 L123 I168 E172 V173 I174 K228 V232F25-Y170 PolarHBondContact O-OH 2.87Å; P27-Y170 HydrophobicContact CB-CE2 4.25Å; P27-Y170 HydrophobicContact CG-CE2 4.42Å; F116-Y170 HydrophobicContact CE2-CD2 4.18Å; F116-Y170 HydrophobicContact CE2-CG 4.47Å; L123-Y170 HydrophobicContact CD1-CD1 3.76Å; L123-Y170 HydrophobicContact CD1-CE1 4.42Å; L123-Y170 HydrophobicContact CD1-CG 4.07Å; L123-Y170 HydrophobicContact CD2-CD1 4.02Å; I168-Y170 PolarHBondContact O-N 2.83Å; Y170-E172 PolarHBondContact O-N 3.39Å; Y170-V173 HydrophobicContact CD1-CB 4.31Å; Y170-V173 HydrophobicContact CD1-CG2 4.36Å; Y170-V173 WeakPolarHBondContact O-CA 3.11Å; Y170-V173 WeakPolarHBondContact O-CB 3.39Å; Y170-V173 PolarHBondContact O-N 2.94Å; Y170-I174 WeakPolarHBondContact O-CG1 3.31Å; Y170-I174 PolarHBondContact O-N 2.99Å; Y170-K228 HydrophobicContact CE1-CB 4.1Å; Y170-K228 HydrophobicContact CE1-CD 4.08Å; Y170-K228 HydrophobicContact CE1-CG 4.28Å; Y170-K228 HydrophobicContact CE2-CD 4.23Å; Y170-V232 HydrophobicContact CE1-CG2 4.33Å
171F96.8Very high96.6Very high1 Ų114.9 Ų14.90%0.0047%0.072CC..Hα-helixtrans-48-54.5-174.4176-109.8000113.7F115 F136 I168 D169 V173 I174 L175 A199 W202 L205 L209F115-F171 HydrophobicContact CE2-CD2 4.03Å; F115-F171 HydrophobicContact CZ-CB 3.99Å; F115-F171 HydrophobicContact CZ-CD2 4.1Å; F136-F171 AromaticContact CZ-CD2 3.82Å; F136-F171 HydrophobicContact CZ-CD2 3.82Å; F136-F171 HydrophobicContact CZ-CE2 4.25Å; I168-F171 WeakPolarHBondContact O-CB 3.31Å; I168-F171 PolarHBondContact O-N 2.79Å; D169-F171 VanDerWaalsContact C-N 3.33Å; F171-V173 VanDerWaalsContact C-N 3.32Å; F171-V173 PolarHBondContact O-N 2.74Å; F171-I174 PolarHBondContact O-N 2.68Å; F171-L175 HydrophobicContact CD1-CD1 4.27Å; F171-L175 HydrophobicContact CD2-CD1 4.5Å; F171-L175 HydrophobicContact CE1-CD1 3.65Å; F171-L175 HydrophobicContact CE2-CD1 3.89Å; F171-L175 HydrophobicContact CE2-CG 4.28Å; F171-L175 HydrophobicContact CZ-CD1 3.42Å; F171-L175 VanDerWaalsContact CZ-CD1 3.42Å; F171-L175 HydrophobicContact CZ-CG 4.29Å; F171-L175 PolarHBondContact O-N 3.47Å; F171-A199 HydrophobicContact CE1-CB 3.7Å; F171-A199 HydrophobicContact CZ-CB 4.08Å; F171-W202 AromaticContact CE2-CE3 3.84Å; F171-W202 HydrophobicContact CE2-CE3 3.84Å; F171-W202 AromaticContact CE2-CZ3 3.91Å; F171-W202 HydrophobicContact CE2-CZ3 3.91Å; F171-W202 AromaticContact CZ-CE3 3.63Å; F171-W202 HydrophobicContact CZ-CE3 3.63Å; F171-W202 AromaticContact CZ-CZ3 3.88Å; F171-W202 HydrophobicContact CZ-CZ3 3.88Å; F171-L205 HydrophobicContact CD2-CD2 4.19Å; F171-L205 HydrophobicContact CE2-CD2 4.02Å; F171-L205 HydrophobicContact CZ-CD2 4.46Å; F171-L209 HydrophobicContact CB-CD1 3.92Å; F171-L209 HydrophobicContact CD1-CD1 3.83Å; F171-L209 HydrophobicContact CG-CD1 4.08Å
172E95.4Very high96.4Very high2 Ų219 Ų191%0.0099%0.094CC..Hα-helixtrans-67.4-31.8178.6-65.799.2139.800112.9Y170 I174 G176 V186 L195 R213 T225Y170-E172 PolarHBondContact O-N 3.39Å; E172-I174 VanDerWaalsContact C-N 3.34Å; E172-G176 PolarHBondContact O-N 3.27Å; E172-V186 HydrophobicContact CB-CG1 4.29Å; E172-V186 WeakPolarHBondContact O-CG1 3.39Å; E172-L195 HydrophobicContact CB-CD1 4.04Å; E172-L195 HydrophobicContact CB-CD2 4.13Å; E172-L195 HydrophobicContact CG-CD2 3.78Å; E172-L195 WeakPolarHBondContact O-CD1 3.39Å; E172-R213 IonicContact OE1-CZ 3.8Å; E172-R213 IonicContact OE1-NH1 2.68Å; E172-R213 PolarHBondContact OE1-NH1 2.95Å; E172-R213 IonicContact OE1-NH2 3.61Å; E172-R213 PolarHBondContact OE1-NH2 2.98Å; E172-R213 IonicContact OE2-CZ 3.17Å; E172-R213 IonicContact OE2-NH1 3.06Å; E172-R213 IonicContact OE2-NH2 3.92Å; E172-R213 PolarHBondContact OE2-NH2 3.44Å; E172-T225 HydrophobicContact CB-CG2 3.76Å
173V96.4Very high96.1Very high3 Ų320.5 Ų20.52%0.01810%0.104CC..Hα-helixtrans-66.4-41.3176.5-171.90000110.7L123 Y170 F171 G176 I177 T225 K228 A229 V232L123-V173 HydrophobicContact CD2-CB 4.09Å; L123-V173 HydrophobicContact CD2-CG1 3.6Å; Y170-V173 HydrophobicContact CD1-CB 4.31Å; Y170-V173 HydrophobicContact CD1-CG2 4.36Å; Y170-V173 WeakPolarHBondContact O-CA 3.11Å; Y170-V173 WeakPolarHBondContact O-CB 3.39Å; Y170-V173 PolarHBondContact O-N 2.94Å; F171-V173 VanDerWaalsContact C-N 3.32Å; F171-V173 PolarHBondContact O-N 2.74Å; V173-G176 PolarHBondContact O-N 2.88Å; V173-I177 WeakPolarHBondContact O-CG1 3.24Å; V173-I177 PolarHBondContact O-N 3.47Å; V173-I177 VanDerWaalsContact O-N 3.16Å; V173-T225 HydrophobicContact CG2-CG2 3.96Å; V173-K228 HydrophobicContact CG2-CB 4Å; V173-A229 HydrophobicContact CG1-CB 4.12Å; V173-A229 HydrophobicContact CG2-CB 4.28Å; V173-V232 HydrophobicContact CG1-CB 4.26Å; V173-V232 HydrophobicContact CG1-CG1 4.47Å; V173-V232 HydrophobicContact CG1-CG2 4.12Å
174I97.2Very high95.8Very high0 Ų024.8 Ų24.80%013%0.127CC..Hα-helixtrans-65.4-49.4177.4-64.3162.8000110F115 I122 L123 F136 Y170 F171 E172 G176 I177 I178F115-I174 HydrophobicContact CE1-CD1 3.79Å; F115-I174 HydrophobicContact CZ-CD1 4.17Å; I122-I174 HydrophobicContact CB-CG2 4.22Å; I122-I174 HydrophobicContact CD1-CG2 3.81Å; I122-I174 HydrophobicContact CG2-CG2 3.95Å; L123-I174 HydrophobicContact CD1-CD1 4.29Å; L123-I174 HydrophobicContact CD1-CG1 4.05Å; L123-I174 HydrophobicContact CD2-CG1 3.89Å; L123-I174 HydrophobicContact CG-CG1 3.81Å; F136-I174 HydrophobicContact CD1-CG2 3.93Å; F136-I174 HydrophobicContact CD2-CD1 4.17Å; F136-I174 HydrophobicContact CD2-CG2 3.85Å; F136-I174 HydrophobicContact CE1-CB 4.35Å; F136-I174 HydrophobicContact CE1-CG2 3.66Å; F136-I174 HydrophobicContact CE2-CB 3.97Å; F136-I174 HydrophobicContact CE2-CD1 3.48Å; F136-I174 VanDerWaalsContact CE2-CD1 3.48Å; F136-I174 HydrophobicContact CE2-CG1 4.3Å; F136-I174 HydrophobicContact CE2-CG2 3.56Å; F136-I174 HydrophobicContact CG-CG2 4.01Å; F136-I174 HydrophobicContact CZ-CB 3.78Å; F136-I174 HydrophobicContact CZ-CD1 4.11Å; F136-I174 HydrophobicContact CZ-CG2 3.46Å; F136-I174 VanDerWaalsContact CZ-CG2 3.46Å; Y170-I174 WeakPolarHBondContact O-CG1 3.31Å; Y170-I174 PolarHBondContact O-N 2.99Å; F171-I174 PolarHBondContact O-N 2.68Å; E172-I174 VanDerWaalsContact C-N 3.34Å; I174-G176 VanDerWaalsContact C-N 3.29Å; I174-G176 PolarHBondContact O-N 3.4Å; I174-I177 PolarHBondContact O-N 2.93Å; I174-I177 VanDerWaalsContact O-N 3.16Å; I174-I178 HydrophobicContact CG2-CD1 3.92Å; I174-I178 WeakPolarHBondContact O-CG1 3.32Å; I174-I178 PolarHBondContact O-N 2.87Å
175L95.6Very high95.5Very high0 Ų030.4 Ų30.40%015%0.153CC..Hα-helixtrans-59.4-39.5175.6-73.3-176.7000112.3F136 F171 I177 I178 H179 L195 E198 A199F136-L175 HydrophobicContact CE1-CD2 3.94Å; F136-L175 HydrophobicContact CE1-CG 4.36Å; F171-L175 HydrophobicContact CD1-CD1 4.27Å; F171-L175 HydrophobicContact CD2-CD1 4.5Å; F171-L175 HydrophobicContact CE1-CD1 3.65Å; F171-L175 HydrophobicContact CE2-CD1 3.89Å; F171-L175 HydrophobicContact CE2-CG 4.28Å; F171-L175 HydrophobicContact CZ-CD1 3.42Å; F171-L175 VanDerWaalsContact CZ-CD1 3.42Å; F171-L175 HydrophobicContact CZ-CG 4.29Å; F171-L175 PolarHBondContact O-N 3.47Å; L175-I177 VanDerWaalsContact C-N 3.27Å; L175-I177 PolarHBondContact O-N 3.2Å; L175-I178 HydrophobicContact CD2-CD1 4.27Å; L175-I178 PolarHBondContact O-N 2.98Å; L175-H179 PolarHBondContact O-CD2 3.34Å; L175-H179 VanDerWaalsContact O-CD2 3.27Å; L175-H179 PolarHBondContact O-N 3.01Å; L175-L195 HydrophobicContact CB-CD1 3.89Å; L175-L195 HydrophobicContact CB-CG 3.83Å; L175-L195 HydrophobicContact CD1-CG 4.19Å; L175-E198 HydrophobicContact CD2-CG 4.32Å; L175-A199 HydrophobicContact CD1-CB 4.31Å
176G94.8Very high95.3Very high2 Ų230.6 Ų30.62%0.02115%0.154CC..Hα-helixtrans-59.9-38.9177.500000112.2E172 V173 I174 H180 I181E172-G176 PolarHBondContact O-N 3.27Å; V173-G176 PolarHBondContact O-N 2.88Å; I174-G176 VanDerWaalsContact C-N 3.29Å; I174-G176 PolarHBondContact O-N 3.4Å; G176-H180 PolarHBondContact O-N 3.47Å; G176-H180 VanDerWaalsContact O-N 3.14Å; G176-I181 PolarHBondContact O-N 2.97Å
177I95.7Very high95Very high27 Ų2732.7 Ų32.714%0.13816%0.164CC..Hα-helixtrans-69.5-43.9175.4-67.9169.2000111.4I122 L123 F128 V173 I174 L175 H179 H180 V232I122-I177 HydrophobicContact CG2-CB 3.96Å; I122-I177 HydrophobicContact CG2-CG2 3.65Å; L123-I177 HydrophobicContact CD2-CD1 4.03Å; F128-I177 HydrophobicContact CD1-CG2 4.4Å; F128-I177 HydrophobicContact CE1-CG2 3.54Å; F128-I177 HydrophobicContact CZ-CG2 4.08Å; V173-I177 WeakPolarHBondContact O-CG1 3.24Å; V173-I177 PolarHBondContact O-N 3.47Å; V173-I177 VanDerWaalsContact O-N 3.16Å; I174-I177 PolarHBondContact O-N 2.93Å; I174-I177 VanDerWaalsContact O-N 3.16Å; L175-I177 VanDerWaalsContact C-N 3.27Å; L175-I177 PolarHBondContact O-N 3.2Å; I177-H179 VanDerWaalsContact C-N 3.28Å; I177-H179 PolarHBondContact O-N 3.46Å; I177-H180 PolarHBondContact O-N 2.88Å; I177-H180 VanDerWaalsContact O-N 3.15Å; I177-V232 HydrophobicContact CD1-CG1 3.76Å
178I95.6Very high94.6Very high21 Ų2135 Ų3511%0.10818%0.175CC..Hα-helixtrans-58.1-42.4178.8-67.6165.3000110.9I122 V133 F136 I174 L175 H180I122-I178 HydrophobicContact CD1-CD1 4.19Å; I122-I178 HydrophobicContact CD1-CG1 4.42Å; I122-I178 HydrophobicContact CG2-CG1 4.24Å; V133-I178 HydrophobicContact CG1-CD1 4.13Å; V133-I178 HydrophobicContact CG1-CG1 4.45Å; V133-I178 HydrophobicContact CG1-CG2 4.14Å; V133-I178 HydrophobicContact CG2-CG1 4.29Å; F136-I178 HydrophobicContact CD1-CD1 3.9Å; F136-I178 HydrophobicContact CE1-CD1 4.13Å; I174-I178 HydrophobicContact CG2-CD1 3.92Å; I174-I178 WeakPolarHBondContact O-CG1 3.32Å; I174-I178 PolarHBondContact O-N 2.87Å; L175-I178 HydrophobicContact CD2-CD1 4.27Å; L175-I178 PolarHBondContact O-N 2.98Å; I178-H180 VanDerWaalsContact C-N 3.34Å
179H93.6Very high93.6Very high51 Ų5138.4 Ų38.424%0.23619%0.192CC..THydrogen-bonded Turntrans-90.28.6180-68.8-64.9000114.3L175 I177 I181 E198L175-H179 PolarHBondContact O-CD2 3.34Å; L175-H179 VanDerWaalsContact O-CD2 3.27Å; L175-H179 PolarHBondContact O-N 3.01Å; I177-H179 VanDerWaalsContact C-N 3.28Å; I177-H179 PolarHBondContact O-N 3.46Å; H179-I181 HydrophobicContact CB-CD1 4.26Å; H179-I181 HydrophobicContact CB-CG1 3.87Å; H179-I181 PolarHBondContact O-N 3.32Å; H179-I181 VanDerWaalsContact O-N 3.15Å; H179-E198 IonicContact CD2-OE2 3.1Å; H179-E198 IonicContact CE1-OE2 2.71Å; H179-E198 PolarHBondContact CE1-OE2 2.91Å; H179-E198 IonicContact NE2-OE2 2.61Å; H179-E198 PolarHBondContact NE2-OE2 3.19Å
180H92.9Very high92.3Very high166 Ų16642.5 Ų42.577%0.76921%0.209SC*.THydrogen-bonded Turntrans55.131.9-179.5-53.4-66.9000114.5G176 I177 I178G176-H180 PolarHBondContact O-N 3.47Å; G176-H180 VanDerWaalsContact O-N 3.14Å; I177-H180 PolarHBondContact O-N 2.88Å; I177-H180 VanDerWaalsContact O-N 3.15Å; I178-H180 VanDerWaalsContact C-N 3.34Å
181I92.5Very high90.9Very high37 Ų3746.5 Ų46.519%0.1924%0.237CC..  trans-73.7135.5175.8-55.2-59000109.2G176 H179 C183 Q185 V186G176-I181 PolarHBondContact O-N 2.97Å; H179-I181 HydrophobicContact CB-CD1 4.26Å; H179-I181 HydrophobicContact CB-CG1 3.87Å; H179-I181 PolarHBondContact O-N 3.32Å; H179-I181 VanDerWaalsContact O-N 3.15Å; I181-C183 PolarHBondContact O-N 2.92Å; I181-Q185 HydrophobicContact CG2-CB 3.74Å; I181-V186 HydrophobicContact CB-CG2 4.27Å; I181-V186 HydrophobicContact CG2-CG2 3.95Å
182N93Very high89.6Confident86 Ų8653 Ų5346%0.4627%0.272SS..  trans-60.8136174.8-174.3-49.9000109.7D184 Q185 V186N182-D184 PolarHBondContact O-N 3.48Å; N182-D184 PolarHBondContact OD1-N 3.29Å; N182-Q185 HydrophobicContact CB-CG 4.4Å; N182-Q185 WeakPolarHBondContact O-CA 3.45Å; N182-Q185 WeakPolarHBondContact O-CB 3.48Å; N182-Q185 PolarHBondContact O-N 2.97Å; N182-V186 PolarHBondContact O-N 3.42Å
183C93.7Very high88.6Confident32 Ų3254.3 Ų54.322%0.21628%0.279CS..G310 helixtrans-53-31.2-179.663.50000114.1I181 Q185 V186 N226 A229 A233I181-C183 PolarHBondContact O-N 2.92Å; C183-Q185 PolarHBondContact O-N 3.03Å; C183-V186 PolarHBondContact O-N 3.33Å; C183-N226 PolarHBondContact O-ND2 3.34Å; C183-N226 VanDerWaalsContact O-ND2 3.13Å; C183-A229 HydrophobicContact CB-CB 4Å; C183-A233 HydrophobicContact CB-CB 3.86Å
184D93Very high87.8Confident90 Ų9059.8 Ų59.848%0.48130%0.304SS..G310 helixtrans-67.4-19.1176.2-69.2-41.4000113.2N182 H187 N226 K230N182-D184 PolarHBondContact O-N 3.48Å; N182-D184 PolarHBondContact OD1-N 3.29Å; D184-H187 PolarHBondContact O-NE2 2.77Å; D184-N226 PolarHBondContact O-ND2 3.05Å; D184-K230 WeakPolarHBondContact OD1-CE 3.34Å; D184-K230 IonicContact OD1-NZ 3.35Å
185Q92Very high87.1Confident118 Ų11859.9 Ų59.955%0.55131%0.305SS*.G310 helixtrans-100.9-3.6179.1-60.7176.7-52.700112.9I181 N182 C183 H187I181-Q185 HydrophobicContact CG2-CB 3.74Å; N182-Q185 HydrophobicContact CB-CG 4.4Å; N182-Q185 WeakPolarHBondContact O-CA 3.45Å; N182-Q185 WeakPolarHBondContact O-CB 3.48Å; N182-Q185 PolarHBondContact O-N 2.97Å; C183-Q185 PolarHBondContact O-N 3.03Å; Q185-H187 VanDerWaalsContact C-CD2 3.44Å; Q185-H187 PolarHBondContact O-CD2 2.8Å
186V93.6Very high86.4Confident4 Ų463.1 Ų63.12%0.02432%0.318CS..  trans-86.3117.8174-171.70000109.2E172 I181 N182 C183 L195 T225 N226 A229E172-V186 HydrophobicContact CB-CG1 4.29Å; E172-V186 WeakPolarHBondContact O-CG1 3.39Å; I181-V186 HydrophobicContact CB-CG2 4.27Å; I181-V186 HydrophobicContact CG2-CG2 3.95Å; N182-V186 PolarHBondContact O-N 3.42Å; C183-V186 PolarHBondContact O-N 3.33Å; V186-L195 HydrophobicContact CG1-CD1 4.3Å; V186-T225 HydrophobicContact CG1-CG2 3.83Å; V186-N226 VanDerWaalsContact O-CA 3.29Å; V186-N226 WeakPolarHBondContact O-CA 3.5Å; V186-N226 WeakPolarHBondContact O-CB 3.38Å; V186-N226 PolarHBondContact O-ND2 3.48Å; V186-A229 HydrophobicContact CB-CB 3.86Å; V186-A229 HydrophobicContact CG1-CB 4.2Å; V186-A229 HydrophobicContact CG2-CB 4.39Å
187H92.7Very high85.9Confident43 Ų4368 Ų6820%0.19934%0.343CS..  trans-143161.1-179.6-62.1-99.4000109.4D184 Q185 M189 K190 N226D184-H187 PolarHBondContact O-NE2 2.77Å; Q185-H187 VanDerWaalsContact C-CD2 3.44Å; Q185-H187 PolarHBondContact O-CD2 2.8Å; H187-M189 PolarHBondContact O-N 2.84Å; H187-K190 HydrophobicContact CB-CD 3.7Å; H187-K190 HydrophobicContact CB-CG 3.86Å; H187-K190 VanDerWaalsContact CD2-CE 3.47Å; H187-K190 WeakPolarHBondContact CD2-CE 3.43Å; H187-K190 PolarHBondContact CD2-NZ 2.83Å; H187-K190 PolarHBondContact NE2-NZ 3.04Å; H187-N226 PolarHBondContact CE1-ND2 2.86Å; H187-N226 PolarHBondContact NE2-ND2 3.01Å
188E90.4Very high85.7Confident53 Ų5368 Ų6825%0.24834%0.343CS..THydrogen-bonded Turntrans-56.3121.7170.6-62.683.117000110.2K190 R222 S224 T225E188-K190 VanDerWaalsContact C-N 3.29Å; E188-K190 PolarHBondContact O-N 3.28Å; E188-R222 IonicContact OE1-CZ 2.76Å; E188-R222 IonicContact OE1-NH1 3.79Å; E188-R222 PolarHBondContact OE1-NH1 3.03Å; E188-R222 IonicContact OE1-NH2 2.69Å; E188-R222 PolarHBondContact OE1-NH2 2.93Å; E188-S224 VanDerWaalsContact OE1-CA 3.3Å; E188-S224 WeakPolarHBondContact OE1-CA 3.15Å; E188-S224 WeakPolarHBondContact OE1-CB 3.45Å; E188-T225 VanDerWaalsContact CD-CB 3.43Å; E188-T225 VanDerWaalsContact CD-OG1 3.3Å; E188-T225 VanDerWaalsContact CG-OG1 3.31Å; E188-T225 WeakPolarHBondContact CG-OG1 3.38Å; E188-T225 WeakPolarHBondContact OE1-CB 3.09Å; E188-T225 PolarHBondContact OE1-N 3.42Å; E188-T225 PolarHBondContact OE1-OG1 3.34Å
189M75.9Confident85.4Confident71 Ų7167 Ų6735%0.3534%0.338SS..THydrogen-bonded Turntrans53.431163.7-48.4160.953.500117.2H187 S191 L206 I210H187-M189 PolarHBondContact O-N 2.84Å; M189-S191 PolarHBondContact O-N 3.23Å; M189-L206 HydrophobicContact CG-CD1 4.21Å; M189-I210 HydrophobicContact CE-CD1 3.36Å; M189-I210 HydrophobicContact CE-CG1 3.49Å; M189-I210 VanDerWaalsContact CE-CG1 3.49Å; M189-I210 HydrophobicContact CG-CG1 4.3Å; M189-I210 HydrophobicContact SD-CB 4.49Å; M189-I210 HydrophobicContact SD-CD1 3.9Å; M189-I210 HydrophobicContact SD-CG1 3.3Å; M189-I210 WeakPolarHBondContact SD-CG1 3.4Å
190K71.1Confident85.3Confident85 Ų8567.9 Ų67.937%0.3735%0.347SS..  trans-68.8107.9175.1-86.3-171.8178177.40110.8H187 E188 D192 N193 Y196H187-K190 HydrophobicContact CB-CD 3.7Å; H187-K190 HydrophobicContact CB-CG 3.86Å; H187-K190 VanDerWaalsContact CD2-CE 3.47Å; H187-K190 WeakPolarHBondContact CD2-CE 3.43Å; H187-K190 PolarHBondContact CD2-NZ 2.83Å; H187-K190 PolarHBondContact NE2-NZ 3.04Å; E188-K190 VanDerWaalsContact C-N 3.29Å; E188-K190 PolarHBondContact O-N 3.28Å; K190-D192 PolarHBondContact O-N 3.47Å; K190-N193 PolarHBondContact O-OD1 3.4Å; K190-Y196 WeakPolarHBondContact O-CB 3.3Å
191S67.4Low85.4Confident84 Ų8463.9 Ų63.959%0.58733%0.334SS*.THydrogen-bonded Turntrans-70.40.4-168.861.20000116.2M189 Y196M189-S191 PolarHBondContact O-N 3.23Å; S191-Y196 VanDerWaalsContact CA-CG 3.46Å
192D69.7Low85.5Confident138 Ų13862.8 Ų62.874%0.73833%0.328SS*.THydrogen-bonded Turntrans-114.317.3-169.665-21.8000114K190K190-D192 PolarHBondContact O-N 3.47Å
193N74.8Confident85.6Confident29 Ų2961.5 Ų61.516%0.15532%0.324CS..SBendtrans-130.6166.9179.667.823.6000113.9K190 L195 Y196 N197K190-N193 PolarHBondContact O-OD1 3.4Å; N193-L195 PolarHBondContact O-N 3.49Å; N193-L195 WeakPolarHBondContact OD1-CB 3.38Å; N193-L195 PolarHBondContact OD1-N 3.33Å; N193-Y196 PolarHBondContact O-N 3.22Å; N193-Y196 VanDerWaalsContact O-N 3.09Å; N193-Y196 PolarHBondContact OD1-N 3.45Å; N193-N197 PolarHBondContact O-N 3.37Å
194E79.2Confident85.8Confident118 Ų11863 Ų6355%0.55133%0.33SS*.Hα-helixtrans-56.5-34178.7-66.6178.3168.700112.6Y196 N197 E198E194-Y196 VanDerWaalsContact C-N 3.35Å; E194-Y196 PolarHBondContact O-N 2.88Å; E194-N197 PolarHBondContact O-N 3.24Å; E194-E198 PolarHBondContact O-N 3.38Å; E194-E198 VanDerWaalsContact O-N 3.07Å
195L81.6Confident86Confident2 Ų258.8 Ų58.81%0.0131%0.307CS..Hα-helixtrans-61.6-42.5176.9174.7156.9000111.7E172 L175 V186 N193 E198 A199E172-L195 HydrophobicContact CB-CD1 4.04Å; E172-L195 HydrophobicContact CB-CD2 4.13Å; E172-L195 HydrophobicContact CG-CD2 3.78Å; E172-L195 WeakPolarHBondContact O-CD1 3.39Å; L175-L195 HydrophobicContact CB-CD1 3.89Å; L175-L195 HydrophobicContact CB-CG 3.83Å; L175-L195 HydrophobicContact CD1-CG 4.19Å; V186-L195 HydrophobicContact CG1-CD1 4.3Å; N193-L195 PolarHBondContact O-N 3.49Å; N193-L195 WeakPolarHBondContact OD1-CB 3.38Å; N193-L195 PolarHBondContact OD1-N 3.33Å; L195-E198 PolarHBondContact O-N 3.39Å; L195-A199 VanDerWaalsContact O-CB 3.27Å; L195-A199 WeakPolarHBondContact O-CB 3.39Å; L195-A199 PolarHBondContact O-N 3.15Å
196Y80.8Confident86.1Confident68 Ų6853.7 Ų53.727%0.26728%0.284SS..Hα-helixtrans-68.1-39.2176.8-172.5-97.5000112.1K190 S191 N193 E194 E198 A199 T200 L206K190-Y196 WeakPolarHBondContact O-CB 3.3Å; S191-Y196 VanDerWaalsContact CA-CG 3.46Å; N193-Y196 PolarHBondContact O-N 3.22Å; N193-Y196 VanDerWaalsContact O-N 3.09Å; N193-Y196 PolarHBondContact OD1-N 3.45Å; E194-Y196 VanDerWaalsContact C-N 3.35Å; E194-Y196 PolarHBondContact O-N 2.88Å; Y196-E198 VanDerWaalsContact C-N 3.34Å; Y196-E198 PolarHBondContact O-N 2.69Å; Y196-A199 PolarHBondContact O-N 3.37Å; Y196-T200 HydrophobicContact CD1-CG2 3.8Å; Y196-T200 HydrophobicContact CE1-CG2 3.55Å; Y196-T200 HydrophobicContact CG-CG2 4.44Å; Y196-T200 WeakPolarHBondContact O-CG2 3.49Å; Y196-T200 PolarHBondContact O-N 2.79Å; Y196-L206 HydrophobicContact CE2-CD2 4.16Å
197N85.3Confident86.1Confident105 Ų10557.9 Ų57.956%0.56131%0.306SS*.Hα-helixtrans-58.1-46.4176.3-68-24.7000111.3N193 E194 T200N193-N197 PolarHBondContact O-N 3.37Å; E194-N197 PolarHBondContact O-N 3.24Å; N197-T200 PolarHBondContact O-OG1 2.76Å
198E91.1Very high86.4Confident26 Ų2656 Ų5612%0.12130%0.297CS..Hα-helixtrans-67.4-43.1174-173.7173.5163.400111.6R137 L175 H179 E194 L195 Y196 T200 T201 W202R137-E198 IonicContact CZ-OE1 3.21Å; R137-E198 IonicContact CZ-OE2 3.86Å; R137-E198 IonicContact NE-OE1 3.21Å; R137-E198 PolarHBondContact NE-OE1 3.06Å; R137-E198 IonicContact NE-OE2 3.91Å; R137-E198 IonicContact NH2-OE1 2.94Å; R137-E198 PolarHBondContact NH2-OE1 3.5Å; R137-E198 IonicContact NH2-OE2 2.96Å; R137-E198 PolarHBondContact NH2-OE2 3.44Å; L175-E198 HydrophobicContact CD2-CG 4.32Å; H179-E198 IonicContact CD2-OE2 3.1Å; H179-E198 IonicContact CE1-OE2 2.71Å; H179-E198 PolarHBondContact CE1-OE2 2.91Å; H179-E198 IonicContact NE2-OE2 2.61Å; H179-E198 PolarHBondContact NE2-OE2 3.19Å; E194-E198 PolarHBondContact O-N 3.38Å; E194-E198 VanDerWaalsContact O-N 3.07Å; L195-E198 PolarHBondContact O-N 3.39Å; Y196-E198 VanDerWaalsContact C-N 3.34Å; Y196-E198 PolarHBondContact O-N 2.69Å; E198-T200 PolarHBondContact O-N 3.22Å; E198-T200 VanDerWaalsContact O-N 3.13Å; E198-T201 VanDerWaalsContact O-CB 3.3Å; E198-T201 WeakPolarHBondContact O-CB 3.16Å; E198-T201 VanDerWaalsContact O-CG2 3.29Å; E198-T201 WeakPolarHBondContact O-CG2 3.49Å; E198-T201 PolarHBondContact O-N 2.93Å; E198-T201 PolarHBondContact O-OG1 3.4Å; E198-W202 HydrophobicContact CG-CH2 4.14Å; E198-W202 HydrophobicContact CG-CZ3 3.93Å
199A89.7Confident86.7Confident2 Ų253.4 Ų53.42%0.01729%0.285CS..Hα-helixtrans-56.6-32.4179.600000113.1F171 L175 L195 Y196 T201 W202F171-A199 HydrophobicContact CE1-CB 3.7Å; F171-A199 HydrophobicContact CZ-CB 4.08Å; L175-A199 HydrophobicContact CD1-CB 4.31Å; L195-A199 VanDerWaalsContact O-CB 3.27Å; L195-A199 WeakPolarHBondContact O-CB 3.39Å; L195-A199 PolarHBondContact O-N 3.15Å; Y196-A199 PolarHBondContact O-N 3.37Å; A199-T201 PolarHBondContact O-N 3.13Å; A199-T201 VanDerWaalsContact O-N 3.12Å; A199-W202 PolarHBondContact O-N 3.46Å
200T90.5Very high87.6Confident68 Ų6851.6 Ų51.642%0.41728%0.277SS..THydrogen-bonded Turntrans-66.3-9177.1670000114.7Y196 N197 E198 W202Y196-T200 HydrophobicContact CD1-CG2 3.8Å; Y196-T200 HydrophobicContact CE1-CG2 3.55Å; Y196-T200 HydrophobicContact CG-CG2 4.44Å; Y196-T200 WeakPolarHBondContact O-CG2 3.49Å; Y196-T200 PolarHBondContact O-N 2.79Å; N197-T200 PolarHBondContact O-OG1 2.76Å; E198-T200 PolarHBondContact O-N 3.22Å; E198-T200 VanDerWaalsContact O-N 3.13Å; T200-W202 PolarHBondContact O-N 3.26Å
201T94.5Very high88.8Confident82 Ų8248.9 Ų48.950%0.50327%0.267SS..THydrogen-bonded Turntrans-70.5-18.4169.365.20000113E198 A199 P203E198-T201 VanDerWaalsContact O-CB 3.3Å; E198-T201 WeakPolarHBondContact O-CB 3.16Å; E198-T201 VanDerWaalsContact O-CG2 3.29Å; E198-T201 WeakPolarHBondContact O-CG2 3.49Å; E198-T201 PolarHBondContact O-N 2.93Å; E198-T201 PolarHBondContact O-OG1 3.4Å; A199-T201 PolarHBondContact O-N 3.13Å; A199-T201 VanDerWaalsContact O-N 3.12Å; T201-P203 VanDerWaalsContact C-CD 3.49Å; T201-P203 WeakPolarHBondContact O-CD 3.4Å
202W96.4Very high90.3Very high14 Ų1444.9 Ų44.95%0.05324%0.239CC..  trans-125.269.9176.7-52.4-69.3000111.4R137 C140 S141 E144 F171 E198 A199 T200 N204 L205 L206R137-W202 HydrophobicContact CB-CH2 4.3Å; R137-W202 HydrophobicContact CB-CZ2 4.08Å; R137-W202 HydrophobicContact CG-CH2 3.99Å; R137-W202 HydrophobicContact CG-CZ2 4.27Å; C140-W202 HydrophobicContact CB-CD2 3.63Å; C140-W202 HydrophobicContact CB-CE3 4.05Å; C140-W202 HydrophobicContact CB-CG 4.15Å; C140-W202 HydrophobicContact CB-CH2 4.04Å; C140-W202 HydrophobicContact CB-CZ2 3.62Å; C140-W202 HydrophobicContact CB-CZ3 4.23Å; S141-W202 PolarHBondContact OG-NE1 3.37Å; E144-W202 HydrophobicContact CB-CB 4.11Å; E144-W202 HydrophobicContact CB-CG 4.22Å; E144-W202 HydrophobicContact CG-CB 4.21Å; E144-W202 WeakPolarHBondContact OE2-CA 3.48Å; E144-W202 WeakPolarHBondContact OE2-CB 3.4Å; F171-W202 AromaticContact CE2-CE3 3.84Å; F171-W202 HydrophobicContact CE2-CE3 3.84Å; F171-W202 AromaticContact CE2-CZ3 3.91Å; F171-W202 HydrophobicContact CE2-CZ3 3.91Å; F171-W202 AromaticContact CZ-CE3 3.63Å; F171-W202 HydrophobicContact CZ-CE3 3.63Å; F171-W202 AromaticContact CZ-CZ3 3.88Å; F171-W202 HydrophobicContact CZ-CZ3 3.88Å; E198-W202 HydrophobicContact CG-CH2 4.14Å; E198-W202 HydrophobicContact CG-CZ3 3.93Å; A199-W202 PolarHBondContact O-N 3.46Å; T200-W202 PolarHBondContact O-N 3.26Å; W202-N204 PolarHBondContact O-N 3.41Å; W202-L205 HydrophobicContact CB-CB 3.86Å; W202-L205 HydrophobicContact CB-CD2 4.23Å; W202-L205 PolarHBondContact O-N 2.99Å; W202-L206 WeakPolarHBondContact O-CB 3.48Å; W202-L206 PolarHBondContact O-N 3.3Å
203P95Very high91.6Very high60 Ų6039.3 Ų39.339%0.3921%0.208SC..Hα-helixtrans-63.8-35.5-175.825.4-35000114E144 T201 L206 N207E144-P203 WeakPolarHBondContact OE1-CD 3.42Å; E144-P203 WeakPolarHBondContact OE1-CG 3.33Å; T201-P203 VanDerWaalsContact C-CD 3.49Å; T201-P203 WeakPolarHBondContact O-CD 3.4Å; P203-L206 PolarHBondContact O-N 3.41Å; P203-N207 WeakPolarHBondContact O-CB 3.38Å; P203-N207 PolarHBondContact O-N 2.84Å; P203-N207 PolarHBondContact O-ND2 2.91Å; P203-N207 VanDerWaalsContact O-ND2 3.09Å
204N96.7Very high92.6Very high64 Ų6444.9 Ų44.934%0.34223%0.233SC..Hα-helixtrans-67.8-43.3176.8-61-30.6000111.4E144 I147 W202 L206 N207 Y208E144-N204 VanDerWaalsContact CD-N 3.31Å; E144-N204 PolarHBondContact O-ND2 3.24Å; E144-N204 WeakPolarHBondContact OE1-CB 3.08Å; E144-N204 VanDerWaalsContact OE1-CG 3.24Å; E144-N204 PolarHBondContact OE1-N 3.05Å; E144-N204 PolarHBondContact OE1-ND2 3.16Å; E144-N204 WeakPolarHBondContact OE2-CA 3.42Å; E144-N204 VanDerWaalsContact OE2-CB 3.32Å; E144-N204 WeakPolarHBondContact OE2-CB 3.23Å; E144-N204 PolarHBondContact OE2-N 2.91Å; I147-N204 WeakPolarHBondContact O-CB 3.43Å; I147-N204 PolarHBondContact O-ND2 3.36Å; W202-N204 PolarHBondContact O-N 3.41Å; N204-L206 VanDerWaalsContact C-N 3.31Å; N204-L206 PolarHBondContact O-N 3.41Å; N204-N207 PolarHBondContact O-N 3.31Å; N204-Y208 WeakPolarHBondContact O-CB 3.39Å; N204-Y208 PolarHBondContact O-N 2.98Å
205L96.7Very high93.5Very high0 Ų041.2 Ų41.20%022%0.216CC..Hα-helixtrans-59.6-43.8174.4176.357.9000111.1C140 L143 E144 I147 I168 F171 W202 Y208 L209C140-L205 HydrophobicContact CB-CD2 4.09Å; L143-L205 HydrophobicContact CB-CD1 4.34Å; L143-L205 HydrophobicContact CD1-CD1 4.34Å; E144-L205 PolarHBondContact OE2-N 3.16Å; I147-L205 HydrophobicContact CD1-CD1 4.36Å; I168-L205 HydrophobicContact CD1-CD1 3.78Å; F171-L205 HydrophobicContact CD2-CD2 4.19Å; F171-L205 HydrophobicContact CE2-CD2 4.02Å; F171-L205 HydrophobicContact CZ-CD2 4.46Å; W202-L205 HydrophobicContact CB-CB 3.86Å; W202-L205 HydrophobicContact CB-CD2 4.23Å; W202-L205 PolarHBondContact O-N 2.99Å; L205-Y208 WeakPolarHBondContact O-CB 3.37Å; L205-Y208 PolarHBondContact O-N 3.45Å; L205-L209 HydrophobicContact CD1-CG 4.49Å; L205-L209 HydrophobicContact CG-CD1 4.49Å; L205-L209 WeakPolarHBondContact O-CG 3.36Å; L205-L209 PolarHBondContact O-N 3.24Å
206L94.3Very high94.3Very high12 Ų1244.8 Ų44.86%0.06324%0.241CC..Hα-helixtrans-63.3-45.9177.4-173.362000111.5M189 Y196 W202 P203 N204 Y208 L209 I210M189-L206 HydrophobicContact CG-CD1 4.21Å; Y196-L206 HydrophobicContact CE2-CD2 4.16Å; W202-L206 WeakPolarHBondContact O-CB 3.48Å; W202-L206 PolarHBondContact O-N 3.3Å; P203-L206 PolarHBondContact O-N 3.41Å; N204-L206 VanDerWaalsContact C-N 3.31Å; N204-L206 PolarHBondContact O-N 3.41Å; L206-Y208 VanDerWaalsContact C-N 3.3Å; L206-Y208 PolarHBondContact O-N 3.44Å; L206-L209 PolarHBondContact O-N 2.89Å; L206-I210 HydrophobicContact CG-CD1 4.23Å; L206-I210 WeakPolarHBondContact O-CD1 3.38Å; L206-I210 VanDerWaalsContact O-CG1 3.24Å; L206-I210 WeakPolarHBondContact O-CG1 3.41Å; L206-I210 PolarHBondContact O-N 3.05Å
207N94.9Very high95.1Very high91 Ų9142.2 Ų42.249%0.48723%0.231SC..Hα-helixtrans-63-35.8176.4-74.9-32.7000112.7P203 N204 I210 T211P203-N207 WeakPolarHBondContact O-CB 3.38Å; P203-N207 PolarHBondContact O-N 2.84Å; P203-N207 PolarHBondContact O-ND2 2.91Å; P203-N207 VanDerWaalsContact O-ND2 3.09Å; N204-N207 PolarHBondContact O-N 3.31Å; N207-I210 WeakPolarHBondContact O-CB 3.34Å; N207-I210 PolarHBondContact O-N 2.85Å; N207-T211 WeakPolarHBondContact O-CB 3.47Å; N207-T211 PolarHBondContact O-N 3.17Å; N207-T211 PolarHBondContact O-OG1 3.05Å
208Y97.7Very high95.7Very high3 Ų337.2 Ų37.21%0.01221%0.205CC..Hα-helixtrans-64-48.5173.9179-91.1000111.8I147 F152 D161 L164 F165 I168 N204 L205 L206 I210 T211 M212I147-Y208 HydrophobicContact CD1-CD1 4.24Å; I147-Y208 HydrophobicContact CD1-CD2 4.25Å; I147-Y208 HydrophobicContact CD1-CG 3.97Å; I147-Y208 HydrophobicContact CG2-CD2 3.76Å; I147-Y208 HydrophobicContact CG2-CG 4.1Å; F152-Y208 HydrophobicContact CB-CE2 4.33Å; D161-Y208 VanDerWaalsContact CA-OH 3.26Å; D161-Y208 WeakPolarHBondContact CA-OH 3.34Å; D161-Y208 WeakPolarHBondContact CB-OH 3.23Å; D161-Y208 VanDerWaalsContact OD1-CE2 3.23Å; D161-Y208 WeakPolarHBondContact OD1-CE2 3.46Å; D161-Y208 PolarHBondContact OD1-OH 3.09Å; L164-Y208 HydrophobicContact CD2-CE1 4.43Å; F165-Y208 HydrophobicContact CB-CE1 4.44Å; F165-Y208 HydrophobicContact CD2-CE1 4.4Å; I168-Y208 HydrophobicContact CD1-CD1 3.57Å; I168-Y208 HydrophobicContact CD1-CE1 3.54Å; N204-Y208 WeakPolarHBondContact O-CB 3.39Å; N204-Y208 PolarHBondContact O-N 2.98Å; L205-Y208 WeakPolarHBondContact O-CB 3.37Å; L205-Y208 PolarHBondContact O-N 3.45Å; L206-Y208 VanDerWaalsContact C-N 3.3Å; L206-Y208 PolarHBondContact O-N 3.44Å; Y208-I210 VanDerWaalsContact C-N 3.3Å; Y208-I210 PolarHBondContact O-N 3.37Å; Y208-T211 PolarHBondContact O-N 3.38Å; Y208-M212 HydrophobicContact CD1-CG 4.21Å; Y208-M212 HydrophobicContact CE1-CG 3.67Å; Y208-M212 HydrophobicContact CE2-CG 4.09Å; Y208-M212 PolarHBondContact O-N 2.99Å
209L96.8Very high96Very high0 Ų041 Ų410%023%0.226CC..Hα-helixtrans-58.6-43.4176.2-73.9170.8000111.2F165 I168 F171 L205 L206 R213F165-L209 HydrophobicContact CD2-CD2 4.21Å; F165-L209 HydrophobicContact CE2-CD2 4.03Å; I168-L209 HydrophobicContact CD1-CD2 3.8Å; I168-L209 HydrophobicContact CD1-CG 4.35Å; I168-L209 HydrophobicContact CG1-CD2 3.87Å; F171-L209 HydrophobicContact CB-CD1 3.92Å; F171-L209 HydrophobicContact CD1-CD1 3.83Å; F171-L209 HydrophobicContact CG-CD1 4.08Å; L205-L209 HydrophobicContact CD1-CG 4.49Å; L205-L209 HydrophobicContact CG-CD1 4.49Å; L205-L209 WeakPolarHBondContact O-CG 3.36Å; L205-L209 PolarHBondContact O-N 3.24Å; L206-L209 PolarHBondContact O-N 2.89Å; L209-R213 VanDerWaalsContact O-CB 3.31Å; L209-R213 WeakPolarHBondContact O-CB 3.46Å; L209-R213 VanDerWaalsContact O-CD 3.31Å; L209-R213 WeakPolarHBondContact O-CD 3.24Å; L209-R213 WeakPolarHBondContact O-CG 3.3Å; L209-R213 PolarHBondContact O-N 2.81Å
210I95.3Very high96.3Very high32 Ų3246.7 Ų46.716%0.16426%0.256CS..Hα-helixtrans-56.7-53174.4-69.7162.7000110.7M189 L206 N207 Y208 M212 R213 Q214M189-I210 HydrophobicContact CE-CD1 3.36Å; M189-I210 HydrophobicContact CE-CG1 3.49Å; M189-I210 VanDerWaalsContact CE-CG1 3.49Å; M189-I210 HydrophobicContact CG-CG1 4.3Å; M189-I210 HydrophobicContact SD-CB 4.49Å; M189-I210 HydrophobicContact SD-CD1 3.9Å; M189-I210 HydrophobicContact SD-CG1 3.3Å; M189-I210 WeakPolarHBondContact SD-CG1 3.4Å; L206-I210 HydrophobicContact CG-CD1 4.23Å; L206-I210 WeakPolarHBondContact O-CD1 3.38Å; L206-I210 VanDerWaalsContact O-CG1 3.24Å; L206-I210 WeakPolarHBondContact O-CG1 3.41Å; L206-I210 PolarHBondContact O-N 3.05Å; N207-I210 WeakPolarHBondContact O-CB 3.34Å; N207-I210 PolarHBondContact O-N 2.85Å; Y208-I210 VanDerWaalsContact C-N 3.3Å; Y208-I210 PolarHBondContact O-N 3.37Å; I210-M212 PolarHBondContact O-N 2.85Å; I210-R213 PolarHBondContact O-N 3.27Å; I210-Q214 WeakPolarHBondContact O-CG 3.5Å; I210-Q214 PolarHBondContact O-N 3.16Å; I210-Q214 VanDerWaalsContact O-N 3.14Å
211T97.2Very high96.6Very high29 Ų2945.4 Ų45.418%0.17825%0.246CC..Hα-helixtrans-59.4-50-176.4-61.80000110.7K150 Y151 N207 Y208 R213 Q214 E215K150-T211 HydrophobicContact CD-CG2 4.35Å; K150-T211 HydrophobicContact CG-CG2 3.75Å; Y151-T211 HydrophobicContact CE1-CG2 4.03Å; N207-T211 WeakPolarHBondContact O-CB 3.47Å; N207-T211 PolarHBondContact O-N 3.17Å; N207-T211 PolarHBondContact O-OG1 3.05Å; Y208-T211 PolarHBondContact O-N 3.38Å; T211-R213 PolarHBondContact O-N 3.33Å; T211-Q214 PolarHBondContact O-N 3.27Å; T211-E215 PolarHBondContact O-N 3.35Å
212M98.2Very high96.7Very high0 Ų043.4 Ų43.40%023%0.229CC..Hα-helixtrans-63.2-40.5179.8-75.3-59.6-66.600112.3Y151 L157 D161 F165 Y208 I210 Q214 E215 V218Y151-M212 HydrophobicContact CD1-SD 3.94Å; Y151-M212 HydrophobicContact CE1-SD 4.13Å; L157-M212 HydrophobicContact CD1-CE 4.05Å; L157-M212 HydrophobicContact CD1-SD 3.73Å; D161-M212 HydrophobicContact CB-CE 3.96Å; D161-M212 HydrophobicContact CB-SD 3.99Å; F165-M212 HydrophobicContact CB-CE 3.81Å; F165-M212 HydrophobicContact CB-CG 4.37Å; F165-M212 HydrophobicContact CD1-CE 4.25Å; F165-M212 HydrophobicContact CD2-CB 3.34Å; F165-M212 HydrophobicContact CD2-CG 3.82Å; F165-M212 HydrophobicContact CE2-CB 3.46Å; F165-M212 VanDerWaalsContact CE2-CB 3.46Å; F165-M212 HydrophobicContact CE2-CG 4.42Å; F165-M212 HydrophobicContact CG-CB 3.9Å; F165-M212 HydrophobicContact CG-CE 3.93Å; F165-M212 HydrophobicContact CG-CG 4.17Å; F165-M212 HydrophobicContact CZ-CB 4.12Å; Y208-M212 HydrophobicContact CD1-CG 4.21Å; Y208-M212 HydrophobicContact CE1-CG 3.67Å; Y208-M212 HydrophobicContact CE2-CG 4.09Å; Y208-M212 PolarHBondContact O-N 2.99Å; I210-M212 PolarHBondContact O-N 2.85Å; M212-Q214 PolarHBondContact O-N 2.95Å; M212-E215 WeakPolarHBondContact O-CB 3.41Å; M212-E215 PolarHBondContact O-N 3.45Å; M212-V218 HydrophobicContact CE-CG2 4.26Å; M212-V218 VanDerWaalsContact O-CB 3.25Å; M212-V218 WeakPolarHBondContact O-CB 3.48Å; M212-V218 WeakPolarHBondContact O-CG1 3.39Å; M212-V218 WeakPolarHBondContact O-CG2 3.42Å
213R97.2Very high96.6Very high20 Ų2043.8 Ų43.88%0.07523%0.232CC..Hα-helixtrans-65.2-24.6177.9-72.7167.3-176.8167.3-2113.4F165 D169 E172 L209 I210 T211 N219F165-R213 HydrophobicContact CE2-CG 4.07Å; F165-R213 HydrophobicContact CZ-CG 3.86Å; D169-R213 IonicContact OD1-CZ 2.69Å; D169-R213 VanDerWaalsContact OD1-CZ 3.31Å; D169-R213 IonicContact OD1-NE 3.28Å; D169-R213 PolarHBondContact OD1-NE 3.44Å; D169-R213 IonicContact OD1-NH2 2.74Å; D169-R213 PolarHBondContact OD1-NH2 3.17Å; E172-R213 IonicContact OE1-CZ 3.8Å; E172-R213 IonicContact OE1-NH1 2.68Å; E172-R213 PolarHBondContact OE1-NH1 2.95Å; E172-R213 IonicContact OE1-NH2 3.61Å; E172-R213 PolarHBondContact OE1-NH2 2.98Å; E172-R213 IonicContact OE2-CZ 3.17Å; E172-R213 IonicContact OE2-NH1 3.06Å; E172-R213 IonicContact OE2-NH2 3.92Å; E172-R213 PolarHBondContact OE2-NH2 3.44Å; L209-R213 VanDerWaalsContact O-CB 3.31Å; L209-R213 WeakPolarHBondContact O-CB 3.46Å; L209-R213 VanDerWaalsContact O-CD 3.31Å; L209-R213 WeakPolarHBondContact O-CD 3.24Å; L209-R213 WeakPolarHBondContact O-CG 3.3Å; L209-R213 PolarHBondContact O-N 2.81Å; I210-R213 PolarHBondContact O-N 3.27Å; T211-R213 PolarHBondContact O-N 3.33Å; R213-N219 WeakPolarHBondContact O-CB 3.17Å
214Q96.6Very high96.7Very high146 Ų14643 Ų4368%0.68223%0.229SC*.Hα-helixtrans-85.4-14178.3-72175.9-9.800113.5I210 T211 M212 S216I210-Q214 WeakPolarHBondContact O-CG 3.5Å; I210-Q214 PolarHBondContact O-N 3.16Å; I210-Q214 VanDerWaalsContact O-N 3.14Å; T211-Q214 PolarHBondContact O-N 3.27Å; M212-Q214 PolarHBondContact O-N 2.95Å; Q214-S216 PolarHBondContact O-N 3.45Å
215E98.2Very high96.6Very high41 Ų4140 Ų4019%0.19221%0.212CC..SBendtrans-62.5126.5173.3-69.1-61.5158.100110.2Y151 T211 M212 F217 V218 N219Y151-E215 PolarHBondContact OH-OE1 3.32Å; T211-E215 PolarHBondContact O-N 3.35Å; M212-E215 WeakPolarHBondContact O-CB 3.41Å; M212-E215 PolarHBondContact O-N 3.45Å; E215-F217 VanDerWaalsContact C-N 3.33Å; E215-F217 HydrophobicContact CB-CD1 3.82Å; E215-F217 HydrophobicContact CB-CE1 3.49Å; E215-F217 VanDerWaalsContact CB-CE1 3.49Å; E215-F217 HydrophobicContact CB-CZ 4.27Å; E215-F217 HydrophobicContact CG-CE1 3.9Å; E215-F217 PolarHBondContact O-N 3.14Å; E215-V218 HydrophobicContact CB-CB 4.23Å; E215-V218 HydrophobicContact CB-CG2 3.91Å; E215-V218 WeakPolarHBondContact O-CA 3.13Å; E215-V218 WeakPolarHBondContact O-CB 3.45Å; E215-V218 PolarHBondContact O-N 2.88Å; E215-N219 PolarHBondContact O-N 3.37Å
216S97.8Very high96.5Very high78 Ų7840.8 Ų40.855%0.54522%0.216SC..Hα-helixtrans-50.6-49.2-175.451.90000113.1Q214 V218 N219 D220Q214-S216 PolarHBondContact O-N 3.45Å; S216-V218 PolarHBondContact O-N 2.96Å; S216-V218 VanDerWaalsContact O-N 3.14Å; S216-N219 PolarHBondContact O-N 3.37Å; S216-D220 WeakPolarHBondContact O-CB 3.32Å; S216-D220 PolarHBondContact O-N 3.49Å
217F97.7Very high96.6Very high13 Ų1341.2 Ų41.26%0.05722%0.219CC..Hα-helixtrans-63.9-20.9-179.777.8-86.7000114.1L34 S37 Y38 L157 L162 E215L34-F217 HydrophobicContact CB-CE2 4.27Å; L34-F217 HydrophobicContact CD2-CD2 4.16Å; L34-F217 HydrophobicContact CD2-CE2 4.2Å; S37-F217 WeakPolarHBondContact OG-CA 3.37Å; S37-F217 WeakPolarHBondContact OG-CB 3.43Å; S37-F217 PolarHBondContact OG-O 3.44Å; Y38-F217 AromaticContact CD2-CD1 3.92Å; Y38-F217 HydrophobicContact CD2-CD1 3.92Å; Y38-F217 HydrophobicContact CD2-CD2 4.49Å; Y38-F217 AromaticContact CD2-CE1 3.9Å; Y38-F217 HydrophobicContact CD2-CE1 3.9Å; Y38-F217 HydrophobicContact CD2-CE2 4.46Å; Y38-F217 HydrophobicContact CD2-CG 4.23Å; Y38-F217 HydrophobicContact CD2-CZ 4.19Å; L157-F217 HydrophobicContact CD1-CZ 4.27Å; L157-F217 HydrophobicContact CD2-CE1 3.5Å; L157-F217 VanDerWaalsContact CD2-CE1 3.5Å; L157-F217 HydrophobicContact CD2-CZ 3.63Å; L162-F217 HydrophobicContact CD1-CE2 4.09Å; L162-F217 HydrophobicContact CD1-CZ 3.94Å; L162-F217 HydrophobicContact CD2-CE2 4.36Å; L162-F217 HydrophobicContact CG-CE2 4.21Å; E215-F217 VanDerWaalsContact C-N 3.33Å; E215-F217 HydrophobicContact CB-CD1 3.82Å; E215-F217 HydrophobicContact CB-CE1 3.49Å; E215-F217 VanDerWaalsContact CB-CE1 3.49Å; E215-F217 HydrophobicContact CB-CZ 4.27Å; E215-F217 HydrophobicContact CG-CE1 3.9Å; E215-F217 PolarHBondContact O-N 3.14Å
218V98.4Very high96.7Very high0 Ų036.9 Ų36.90%020%0.196CC..Hα-helixtrans-85.4-55.4172.6177.60000109.5L34 F165 M212 E215 S216 D220 I221 R222L34-V218 HydrophobicContact CD2-CB 4.15Å; L34-V218 HydrophobicContact CD2-CG1 4.32Å; L34-V218 HydrophobicContact CD2-CG2 3.83Å; F165-V218 HydrophobicContact CD1-CG1 4.34Å; F165-V218 HydrophobicContact CE1-CG1 3.44Å; F165-V218 VanDerWaalsContact CE1-CG1 3.44Å; F165-V218 HydrophobicContact CZ-CG1 3.81Å; M212-V218 HydrophobicContact CE-CG2 4.26Å; M212-V218 VanDerWaalsContact O-CB 3.25Å; M212-V218 WeakPolarHBondContact O-CB 3.48Å; M212-V218 WeakPolarHBondContact O-CG1 3.39Å; M212-V218 WeakPolarHBondContact O-CG2 3.42Å; E215-V218 HydrophobicContact CB-CB 4.23Å; E215-V218 HydrophobicContact CB-CG2 3.91Å; E215-V218 WeakPolarHBondContact O-CA 3.13Å; E215-V218 WeakPolarHBondContact O-CB 3.45Å; E215-V218 PolarHBondContact O-N 2.88Å; S216-V218 PolarHBondContact O-N 2.96Å; S216-V218 VanDerWaalsContact O-N 3.14Å; V218-D220 PolarHBondContact O-N 3.36Å; V218-I221 PolarHBondContact O-N 2.97Å; V218-I221 VanDerWaalsContact O-N 3.11Å; V218-R222 HydrophobicContact CG1-CB 4.14Å; V218-R222 WeakPolarHBondContact O-CB 3.34Å; V218-R222 PolarHBondContact O-N 3.35Å
219N96.6Very high96.6Very high107 Ų10737 Ų3757%0.57220%0.197SC*.Hα-helixtrans-54.8-37.5-176.5-176.962.4000112.5R213 E215 S216 I221R213-N219 WeakPolarHBondContact O-CB 3.17Å; E215-N219 PolarHBondContact O-N 3.37Å; S216-N219 PolarHBondContact O-N 3.37Å; N219-I221 VanDerWaalsContact C-N 3.28Å; N219-I221 PolarHBondContact O-N 3.33Å
220D96.4Very high96.6Very high121 Ų12139.5 Ų39.565%0.64721%0.208SC*.THydrogen-bonded Turntrans-69.1-23.4-176.5-67.8-12.3000113.6S216 V218S216-D220 WeakPolarHBondContact O-CB 3.32Å; S216-D220 PolarHBondContact O-N 3.49Å; V218-D220 PolarHBondContact O-N 3.36Å
221I96.2Very high96.6Very high41 Ų4138 Ų3821%0.2120%0.2CC..THydrogen-bonded Turntrans-126.6-13-171.578173.8000115K33 L34 V218 N219K33-I221 HydrophobicContact CB-CD1 3.75Å; K33-I221 PolarHBondContact NZ-O 3.27Å; K33-I221 WeakPolarHBondContact O-CD1 3.36Å; L34-I221 HydrophobicContact CD2-CD1 3.75Å; L34-I221 HydrophobicContact CD2-CG1 3.97Å; L34-I221 HydrophobicContact CG-CD1 4.39Å; V218-I221 PolarHBondContact O-N 2.97Å; V218-I221 VanDerWaalsContact O-N 3.11Å; N219-I221 VanDerWaalsContact C-N 3.28Å; N219-I221 PolarHBondContact O-N 3.33Å
222R96.2Very high96.6Very high39 Ų3936.8 Ų36.815%0.14719%0.192CC..PPolyproline II helixtrans-67.6138.5-176.6175.8179175-80.8-8.6110.4D169 E188 V218 T225D169-R222 VanDerWaalsContact CG-NH2 3.32Å; D169-R222 IonicContact OD1-CZ 3.72Å; D169-R222 VanDerWaalsContact OD1-CZ 3.27Å; D169-R222 IonicContact OD1-NE 3.44Å; D169-R222 PolarHBondContact OD1-NE 3.22Å; D169-R222 IonicContact OD1-NH2 2.8Å; D169-R222 PolarHBondContact OD1-NH2 2.83Å; D169-R222 IonicContact OD2-CZ 2.68Å; D169-R222 VanDerWaalsContact OD2-CZ 3.28Å; D169-R222 IonicContact OD2-NE 2.87Å; D169-R222 PolarHBondContact OD2-NE 2.95Å; D169-R222 IonicContact OD2-NH2 3.71Å; D169-R222 PolarHBondContact OD2-NH2 3.37Å; D169-R222 VanDerWaalsContact OD2-NH2 3.1Å; E188-R222 IonicContact OE1-CZ 2.76Å; E188-R222 IonicContact OE1-NH1 3.79Å; E188-R222 PolarHBondContact OE1-NH1 3.03Å; E188-R222 IonicContact OE1-NH2 2.69Å; E188-R222 PolarHBondContact OE1-NH2 2.93Å; V218-R222 HydrophobicContact CG1-CB 4.14Å; V218-R222 WeakPolarHBondContact O-CB 3.34Å; V218-R222 PolarHBondContact O-N 3.35Å; R222-T225 PolarHBondContact NH2-OG1 3.14Å
223I95.6Very high96.4Very high22 Ų2238.4 Ų38.411%0.11321%0.206CC..PPolyproline II helixtrans-81.9130169-58.8177.2000108.4C24 F25 I227 K228C24-I223 HydrophobicContact CB-CD1 4Å; C24-I223 VanDerWaalsContact O-CD1 3.3Å; C24-I223 WeakPolarHBondContact O-CD1 3.39Å; F25-I223 HydrophobicContact CD1-CD1 3.97Å; F25-I223 HydrophobicContact CE1-CD1 3.89Å; F25-I223 HydrophobicContact CE1-CG2 3.85Å; F25-I223 HydrophobicContact CG-CD1 4.49Å; F25-I223 HydrophobicContact CZ-CD1 4.31Å; I223-I227 HydrophobicContact CG2-CB 3.68Å; I223-I227 HydrophobicContact CG2-CG2 3.57Å; I223-K228 HydrophobicContact CB-CG 4.22Å; I223-K228 HydrophobicContact CG2-CG 3.95Å; I223-K228 VanDerWaalsContact O-CE 3.28Å; I223-K228 WeakPolarHBondContact O-CE 3.48Å
224S95.2Very high96.3Very high45 Ų4538.3 Ų38.332%0.31521%0.208SC..PPolyproline II helixtrans-62.7153.1179.870.20000112.4E188 N226 I227 K228E188-S224 VanDerWaalsContact OE1-CA 3.3Å; E188-S224 WeakPolarHBondContact OE1-CA 3.15Å; E188-S224 WeakPolarHBondContact OE1-CB 3.45Å; S224-N226 PolarHBondContact O-N 2.66Å; S224-I227 PolarHBondContact O-N 2.86Å; S224-I227 VanDerWaalsContact O-N 3.08Å; S224-I227 WeakPolarHBondContact OG-CG1 3.5Å; S224-K228 PolarHBondContact O-N 3.15Å
225T95.5Very high96.1Very high0 Ų034.5 Ų34.50%019%0.189CC..Hα-helixtrans-55.8-39.3180-66.90000111.2E172 V173 V186 E188 R222 I227 K228 A229E172-T225 HydrophobicContact CB-CG2 3.76Å; V173-T225 HydrophobicContact CG2-CG2 3.96Å; V186-T225 HydrophobicContact CG1-CG2 3.83Å; E188-T225 VanDerWaalsContact CD-CB 3.43Å; E188-T225 VanDerWaalsContact CD-OG1 3.3Å; E188-T225 VanDerWaalsContact CG-OG1 3.31Å; E188-T225 WeakPolarHBondContact CG-OG1 3.38Å; E188-T225 WeakPolarHBondContact OE1-CB 3.09Å; E188-T225 PolarHBondContact OE1-N 3.42Å; E188-T225 PolarHBondContact OE1-OG1 3.34Å; R222-T225 PolarHBondContact NH2-OG1 3.14Å; T225-I227 PolarHBondContact O-N 3.04Å; T225-K228 PolarHBondContact O-N 2.81Å; T225-A229 WeakPolarHBondContact O-CB 3.4Å; T225-A229 PolarHBondContact O-N 3.24Å
226N94.7Very high95.9Very high16 Ų1636.8 Ų36.89%0.08620%0.196CC..Hα-helixtrans-63.5-42.3177.9-174.6-107.1000112.6C183 D184 V186 H187 S224 A229 K230C183-N226 PolarHBondContact O-ND2 3.34Å; C183-N226 VanDerWaalsContact O-ND2 3.13Å; D184-N226 PolarHBondContact O-ND2 3.05Å; V186-N226 VanDerWaalsContact O-CA 3.29Å; V186-N226 WeakPolarHBondContact O-CA 3.5Å; V186-N226 WeakPolarHBondContact O-CB 3.38Å; V186-N226 PolarHBondContact O-ND2 3.48Å; H187-N226 PolarHBondContact CE1-ND2 2.86Å; H187-N226 PolarHBondContact NE2-ND2 3.01Å; S224-N226 PolarHBondContact O-N 2.66Å; N226-A229 PolarHBondContact O-N 3.31Å; N226-K230 WeakPolarHBondContact O-CG 3.42Å; N226-K230 PolarHBondContact O-N 3.4Å; N226-K230 VanDerWaalsContact OD1-CE 3.23Å; N226-K230 WeakPolarHBondContact OD1-CE 3.2Å; N226-K230 PolarHBondContact OD1-NZ 3.15Å
227I95.9Very high95.6Very high21 Ų2136.5 Ų36.511%0.10820%0.199CC..Hα-helixtrans-70.9-39.1178.5-60.8-44000110.9F25 I223 S224 T225 A229 K230 F231 I244 Q245F25-I227 HydrophobicContact CE1-CG2 4.07Å; F25-I227 HydrophobicContact CZ-CG2 4.01Å; I223-I227 HydrophobicContact CG2-CB 3.68Å; I223-I227 HydrophobicContact CG2-CG2 3.57Å; S224-I227 PolarHBondContact O-N 2.86Å; S224-I227 VanDerWaalsContact O-N 3.08Å; S224-I227 WeakPolarHBondContact OG-CG1 3.5Å; T225-I227 PolarHBondContact O-N 3.04Å; I227-A229 VanDerWaalsContact C-N 3.33Å; I227-A229 PolarHBondContact O-N 3.24Å; I227-K230 HydrophobicContact CD1-CD 4.07Å; I227-K230 PolarHBondContact O-N 2.81Å; I227-F231 PolarHBondContact O-N 3.05Å; I227-I244 HydrophobicContact CG2-CG2 3.91Å; I227-Q245 VanDerWaalsContact CD1-C 3.4Å; I227-Q245 WeakPolarHBondContact CD1-O 3.35Å; I227-Q245 WeakPolarHBondContact CD1-OXT 3.15Å
228K96.7Very high95.3Very high1 Ų139 Ų390%0.00423%0.229CC..Hα-helixtrans-57.2-45.7169.7-70-178.2175.8-174.60111F25 E30 D169 Y170 V173 I223 S224 T225 F231 V232F25-K228 HydrophobicContact CD1-CG 4.31Å; F25-K228 HydrophobicContact CE1-CG 4.5Å; E30-K228 IonicContact OE1-NZ 2.88Å; E30-K228 IonicContact OE2-NZ 2.78Å; E30-K228 PolarHBondContact OE2-NZ 3.29Å; D169-K228 IonicContact OD2-NZ 3.95Å; D169-K228 PolarHBondContact OD2-NZ 2.91Å; Y170-K228 HydrophobicContact CE1-CB 4.1Å; Y170-K228 HydrophobicContact CE1-CD 4.08Å; Y170-K228 HydrophobicContact CE1-CG 4.28Å; Y170-K228 HydrophobicContact CE2-CD 4.23Å; V173-K228 HydrophobicContact CG2-CB 4Å; I223-K228 HydrophobicContact CB-CG 4.22Å; I223-K228 HydrophobicContact CG2-CG 3.95Å; I223-K228 VanDerWaalsContact O-CE 3.28Å; I223-K228 WeakPolarHBondContact O-CE 3.48Å; S224-K228 PolarHBondContact O-N 3.15Å; T225-K228 PolarHBondContact O-N 2.81Å; K228-F231 PolarHBondContact O-N 3.14Å; K228-V232 WeakPolarHBondContact O-CB 3.42Å; K228-V232 WeakPolarHBondContact O-CG2 3.28Å; K228-V232 PolarHBondContact O-N 2.97Å
229A96.1Very high94.8Very high5 Ų545.7 Ų45.74%0.04126%0.263CS..Hα-helixtrans-63.1-43.9178.900000112.8V173 C183 V186 T225 N226 I227 V232 A233V173-A229 HydrophobicContact CG1-CB 4.12Å; V173-A229 HydrophobicContact CG2-CB 4.28Å; C183-A229 HydrophobicContact CB-CB 4Å; V186-A229 HydrophobicContact CB-CB 3.86Å; V186-A229 HydrophobicContact CG1-CB 4.2Å; V186-A229 HydrophobicContact CG2-CB 4.39Å; T225-A229 WeakPolarHBondContact O-CB 3.4Å; T225-A229 PolarHBondContact O-N 3.24Å; N226-A229 PolarHBondContact O-N 3.31Å; I227-A229 VanDerWaalsContact C-N 3.33Å; I227-A229 PolarHBondContact O-N 3.24Å; A229-V232 PolarHBondContact O-N 3.36Å; A229-A233 WeakPolarHBondContact O-CB 3.29Å; A229-A233 PolarHBondContact O-N 3.21Å
230K96.5Very high94.4Very high53 Ų5342.1 Ų42.123%0.2325%0.247CC..Hα-helixtrans-63-42.7175.6-74.4170.7172161.50112.4D184 N226 I227 A233 S234 I244D184-K230 WeakPolarHBondContact OD1-CE 3.34Å; D184-K230 IonicContact OD1-NZ 3.35Å; N226-K230 WeakPolarHBondContact O-CG 3.42Å; N226-K230 PolarHBondContact O-N 3.4Å; N226-K230 VanDerWaalsContact OD1-CE 3.23Å; N226-K230 WeakPolarHBondContact OD1-CE 3.2Å; N226-K230 PolarHBondContact OD1-NZ 3.15Å; I227-K230 HydrophobicContact CD1-CD 4.07Å; I227-K230 PolarHBondContact O-N 2.81Å; K230-A233 PolarHBondContact O-N 3.47Å; K230-S234 PolarHBondContact O-N 2.95Å; K230-I244 HydrophobicContact CB-CD1 3.78Å; K230-I244 HydrophobicContact CB-CG1 4.44Å
231F96.3Very high94Very high1 Ų139.9 Ų39.90%0.00424%0.235CC..Hα-helixtrans-60.2-48.3174.5166.6-106.3000111.3F23 F25 Y124 I227 K228 A233 S234 K235 P242 I244F23-F231 HydrophobicContact CE1-CE1 4.18Å; F23-F231 HydrophobicContact CE1-CE2 4.32Å; F23-F231 AromaticContact CE1-CZ 3.63Å; F23-F231 HydrophobicContact CE1-CZ 3.63Å; F23-F231 HydrophobicContact CZ-CE1 4.44Å; F23-F231 AromaticContact CZ-CE2 3.77Å; F23-F231 HydrophobicContact CZ-CE2 3.77Å; F23-F231 AromaticContact CZ-CZ 3.51Å; F23-F231 HydrophobicContact CZ-CZ 3.51Å; F25-F231 HydrophobicContact CB-CD1 3.54Å; F25-F231 HydrophobicContact CB-CE1 3.44Å; F25-F231 VanDerWaalsContact CB-CE1 3.44Å; F25-F231 HydrophobicContact CB-CG 4.22Å; F25-F231 HydrophobicContact CB-CZ 4.06Å; F25-F231 HydrophobicContact CD1-CB 3.8Å; F25-F231 AromaticContact CD1-CD1 3.62Å; F25-F231 HydrophobicContact CD1-CD1 3.62Å; F25-F231 HydrophobicContact CD1-CE1 4.41Å; F25-F231 AromaticContact CD1-CG 3.75Å; F25-F231 HydrophobicContact CD1-CG 3.75Å; F25-F231 HydrophobicContact CD2-CB 4.02Å; F25-F231 AromaticContact CD2-CD1 3.65Å; F25-F231 HydrophobicContact CD2-CD1 3.65Å; F25-F231 AromaticContact CD2-CD2 3.45Å; F25-F231 HydrophobicContact CD2-CD2 3.45Å; F25-F231 VanDerWaalsContact CD2-CD2 3.45Å; F25-F231 AromaticContact CD2-CE1 3.95Å; F25-F231 HydrophobicContact CD2-CE1 3.95Å; F25-F231 AromaticContact CD2-CE2 3.77Å; F25-F231 HydrophobicContact CD2-CE2 3.77Å; F25-F231 AromaticContact CD2-CG 3.38Å; F25-F231 HydrophobicContact CD2-CG 3.38Å; F25-F231 HydrophobicContact CD2-CZ 4.02Å; F25-F231 HydrophobicContact CE1-CB 3.49Å; F25-F231 VanDerWaalsContact CE1-CB 3.49Å; F25-F231 HydrophobicContact CE1-CD1 4.23Å; F25-F231 AromaticContact CE1-CG 3.9Å; F25-F231 HydrophobicContact CE1-CG 3.9Å; F25-F231 HydrophobicContact CE2-CB 3.74Å; F25-F231 HydrophobicContact CE2-CD1 4.27Å; F25-F231 AromaticContact CE2-CD2 3.59Å; F25-F231 HydrophobicContact CE2-CD2 3.59Å; F25-F231 HydrophobicContact CE2-CE2 4.29Å; F25-F231 AromaticContact CE2-CG 3.58Å; F25-F231 HydrophobicContact CE2-CG 3.58Å; F25-F231 HydrophobicContact CG-CB 4.07Å; F25-F231 AromaticContact CG-CD1 3.31Å; F25-F231 HydrophobicContact CG-CD1 3.31Å; F25-F231 HydrophobicContact CG-CD2 4.05Å; F25-F231 AromaticContact CG-CE1 3.7Å; F25-F231 HydrophobicContact CG-CE1 3.7Å; F25-F231 HydrophobicContact CG-CE2 4.37Å; F25-F231 AromaticContact CG-CG 3.51Å; F25-F231 HydrophobicContact CG-CG 3.51Å; F25-F231 HydrophobicContact CG-CZ 4.22Å; F25-F231 HydrophobicContact CZ-CB 3.5Å; F25-F231 VanDerWaalsContact CZ-CB 3.5Å; F25-F231 HydrophobicContact CZ-CD2 4.26Å; F25-F231 AromaticContact CZ-CG 3.85Å; F25-F231 HydrophobicContact CZ-CG 3.85Å; Y124-F231 HydrophobicContact CE1-CE1 4.07Å; I227-F231 PolarHBondContact O-N 3.05Å; K228-F231 PolarHBondContact O-N 3.14Å; F231-A233 VanDerWaalsContact C-N 3.33Å; F231-A233 PolarHBondContact O-N 3.39Å; F231-S234 WeakPolarHBondContact O-CB 3.3Å; F231-S234 PolarHBondContact O-N 3.27Å; F231-S234 VanDerWaalsContact O-N 3.15Å; F231-S234 PolarHBondContact O-OG 3.21Å; F231-K235 HydrophobicContact CZ-CD 4.23Å; F231-K235 PolarHBondContact O-N 2.64Å; F231-P242 HydrophobicContact CE2-CB 4.19Å; F231-I244 HydrophobicContact CB-CG2 4.15Å
232V96.3Very high93.5Very high2 Ų238.9 Ų38.91%0.01223%0.231CC..Hα-helixtrans-60.3-44.3178.6172.80000110.7L123 Y124 Y170 V173 I177 K228 A229 S234 K235 R236L123-V232 HydrophobicContact CB-CG1 4.29Å; L123-V232 HydrophobicContact CD2-CG1 3.95Å; L123-V232 HydrophobicContact CD2-CG2 3.92Å; L123-V232 VanDerWaalsContact O-CG1 3.24Å; L123-V232 WeakPolarHBondContact O-CG1 3.27Å; Y124-V232 HydrophobicContact CE1-CG2 3.85Å; Y170-V232 HydrophobicContact CE1-CG2 4.33Å; V173-V232 HydrophobicContact CG1-CB 4.26Å; V173-V232 HydrophobicContact CG1-CG1 4.47Å; V173-V232 HydrophobicContact CG1-CG2 4.12Å; I177-V232 HydrophobicContact CD1-CG1 3.76Å; K228-V232 WeakPolarHBondContact O-CB 3.42Å; K228-V232 WeakPolarHBondContact O-CG2 3.28Å; K228-V232 PolarHBondContact O-N 2.97Å; A229-V232 PolarHBondContact O-N 3.36Å; V232-S234 VanDerWaalsContact C-N 3.34Å; V232-S234 PolarHBondContact O-N 3.13Å; V232-K235 PolarHBondContact O-N 3.12Å; V232-K235 VanDerWaalsContact O-N 3.12Å; V232-R236 HydrophobicContact CG1-CG 4.35Å; V232-R236 WeakPolarHBondContact O-CG 3.14Å; V232-R236 PolarHBondContact O-N 2.95Å
233A95.1Very high93Very high35 Ų3540.1 Ų40.129%0.28924%0.241SC..Hα-helixtrans-58.6-43.1174.600000112.3C183 A229 K230 F231 K235 R236 A237C183-A233 HydrophobicContact CB-CB 3.86Å; A229-A233 WeakPolarHBondContact O-CB 3.29Å; A229-A233 PolarHBondContact O-N 3.21Å; K230-A233 PolarHBondContact O-N 3.47Å; F231-A233 VanDerWaalsContact C-N 3.33Å; F231-A233 PolarHBondContact O-N 3.39Å; A233-K235 VanDerWaalsContact C-N 3.28Å; A233-K235 PolarHBondContact O-N 3.02Å; A233-R236 PolarHBondContact O-N 3.49Å; A233-A237 WeakPolarHBondContact O-CB 3.35Å; A233-A237 PolarHBondContact O-N 2.89Å
234S94.2Very high92.5Very high17 Ų1741.2 Ų41.212%0.11925%0.247CC..Hα-helixtrans-59.7-39175.882.30000112.2K230 F231 V232 A237 G238 L239 S240 N241K230-S234 PolarHBondContact O-N 2.95Å; F231-S234 WeakPolarHBondContact O-CB 3.3Å; F231-S234 PolarHBondContact O-N 3.27Å; F231-S234 VanDerWaalsContact O-N 3.15Å; F231-S234 PolarHBondContact O-OG 3.21Å; V232-S234 VanDerWaalsContact C-N 3.34Å; V232-S234 PolarHBondContact O-N 3.13Å; S234-A237 PolarHBondContact O-N 3.17Å; S234-G238 PolarHBondContact O-N 2.72Å; S234-L239 WeakPolarHBondContact CB-O 3.5Å; S234-L239 CarbonylContact O-C 3.16Å; S234-L239 PolarHBondContact O-N 2.92Å; S234-S240 PolarHBondContact O-N 3.24Å; S234-N241 PolarHBondContact OG-N 3.26Å
235K93.5Very high91.3Very high66 Ų6648.4 Ų48.429%0.28728%0.275SS..Hα-helixtrans-70.8-42.8178.8-172160.8170.7-170.90111.6Y124 F231 V232 A233 A237 G238Y124-K235 HydrophobicContact CD1-CD 3.54Å; Y124-K235 HydrophobicContact CD1-CG 4.18Å; Y124-K235 HydrophobicContact CE1-CD 3.9Å; Y124-K235 HydrophobicContact CG-CD 4.44Å; F231-K235 HydrophobicContact CZ-CD 4.23Å; F231-K235 PolarHBondContact O-N 2.64Å; V232-K235 PolarHBondContact O-N 3.12Å; V232-K235 VanDerWaalsContact O-N 3.12Å; A233-K235 VanDerWaalsContact C-N 3.28Å; A233-K235 PolarHBondContact O-N 3.02Å; K235-A237 PolarHBondContact O-N 3.02Å; K235-G238 PolarHBondContact O-N 2.93Å
236R92.6Very high91Very high89 Ų8950.9 Ų50.934%0.33629%0.289SS..Hα-helixtrans-62.8-29174.4-66.7-178.969.868.114.8112.6I122 L123 E125 V126 V232 A233 G238I122-R236 PolarHBondContact O-NH1 3.45Å; L123-R236 WeakPolarHBondContact O-CD 3.34Å; L123-R236 VanDerWaalsContact O-CG 3.32Å; L123-R236 WeakPolarHBondContact O-CG 3.48Å; L123-R236 PolarHBondContact O-NH1 2.92Å; E125-R236 PolarHBondContact O-NH1 3.01Å; V126-R236 PolarHBondContact O-NH2 3.22Å; V232-R236 HydrophobicContact CG1-CG 4.35Å; V232-R236 WeakPolarHBondContact O-CG 3.14Å; V232-R236 PolarHBondContact O-N 2.95Å; A233-R236 PolarHBondContact O-N 3.49Å; R236-G238 VanDerWaalsContact C-N 3.26Å; R236-G238 PolarHBondContact O-N 2.77Å
237A92.4Very high90.9Very high73 Ų7352.7 Ų52.760%0.60330%0.3SS*.THydrogen-bonded Turntrans-79.6-1.317400000114.2A233 S234 K235 L239A233-A237 WeakPolarHBondContact O-CB 3.35Å; A233-A237 PolarHBondContact O-N 2.89Å; S234-A237 PolarHBondContact O-N 3.17Å; K235-A237 PolarHBondContact O-N 3.02Å; A237-L239 PolarHBondContact O-N 3.05Å
238G90.3Very high90.6Very high66 Ų6654.4 Ų54.468%0.6831%0.31SS*.THydrogen-bonded Turntrans75.75.2-176.600000114.7S234 K235 R236S234-G238 PolarHBondContact O-N 2.72Å; K235-G238 PolarHBondContact O-N 2.93Å; R236-G238 VanDerWaalsContact C-N 3.26Å; R236-G238 PolarHBondContact O-N 2.77Å
239L88.3Confident90.2Very high139 Ų13957.6 Ų57.673%0.72833%0.328SS*.  trans-118.358.4-178.8-64175.7000109.9S234 A237 N241S234-L239 WeakPolarHBondContact CB-O 3.5Å; S234-L239 CarbonylContact O-C 3.16Å; S234-L239 PolarHBondContact O-N 2.92Å; A237-L239 PolarHBondContact O-N 3.05Å; L239-N241 PolarHBondContact O-N 3.07Å; L239-N241 VanDerWaalsContact O-N 3.08Å
240S88.2Confident89.8Confident33 Ų3360.9 Ų60.923%0.23135%0.346CS..  trans-57117.4-175.4-173.40000111.2N51 S234 P242N51-S240 WeakPolarHBondContact ND2-CB 3.48Å; N51-S240 PolarHBondContact ND2-OG 3.09Å; N51-S240 VanDerWaalsContact ND2-OG 3.09Å; S234-S240 PolarHBondContact O-N 3.24Å; S240-P242 WeakPolarHBondContact O-CD 3.36Å
241N87.9Confident89.4Confident73 Ų7361.4 Ų61.439%0.3935%0.354SS..  trans-118.192.5178.4-178.37.7000109.8S234 L239 D243S234-N241 PolarHBondContact OG-N 3.26Å; L239-N241 PolarHBondContact O-N 3.07Å; L239-N241 VanDerWaalsContact O-N 3.08Å; N241-D243 PolarHBondContact O-N 3.21Å; N241-D243 PolarHBondContact OD1-N 3.27Å; N241-D243 VanDerWaalsContact OD1-N 3.12Å
242P85.9Confident88.9Confident20 Ų2065.7 Ų65.713%0.1338%0.379CS..THydrogen-bonded Turntrans-76.5-2.6179.635.4-38.2000113.6H3 F23 F25 F231 S240H3-P242 HydrophobicContact CB-CG 4.26Å; H3-P242 PolarHBondContact CE1-O 2.75Å; H3-P242 PolarHBondContact ND1-O 3.42Å; F23-P242 HydrophobicContact CE2-CB 3.41Å; F23-P242 VanDerWaalsContact CE2-CB 3.41Å; F23-P242 HydrophobicContact CE2-CG 4.19Å; F23-P242 HydrophobicContact CZ-CB 3.71Å; F25-P242 WeakPolarHBondContact CE2-O 3.49Å; F231-P242 HydrophobicContact CE2-CB 4.19Å; S240-P242 WeakPolarHBondContact O-CD 3.36Å
243D85.1Confident88.3Confident66 Ų6670.6 Ų70.635%0.35341%0.407SS..THydrogen-bonded Turntrans-103.217.1178.9-58.4-31.6000111.8M1 H3 N241M1-D243 VanDerWaalsContact O-OD1 3.1Å; H3-D243 IonicContact CE1-OD1 3.41Å; H3-D243 IonicContact CG-OD1 3.31Å; H3-D243 PolarHBondContact N-OD1 2.94Å; H3-D243 IonicContact ND1-OD1 3.66Å; H3-D243 PolarHBondContact ND1-OD1 2.61Å; N241-D243 PolarHBondContact O-N 3.21Å; N241-D243 PolarHBondContact OD1-N 3.27Å; N241-D243 VanDerWaalsContact OD1-N 3.12Å
244I85.1Confident87.8Confident45 Ų4573.6 Ų73.623%0.23142%0.417CS..  trans-62139.3176.1-143.7157.3000110.2F25 I227 K230 F231F25-I244 HydrophobicContact CE2-CG2 4.49Å; F25-I244 HydrophobicContact CZ-CG2 3.9Å; I227-I244 HydrophobicContact CG2-CG2 3.91Å; K230-I244 HydrophobicContact CB-CD1 3.78Å; K230-I244 HydrophobicContact CB-CG1 4.44Å; F231-I244 HydrophobicContact CB-CG2 4.15Å
245Q69.8Low87.2Confident196 Ų19678.7 Ų78.792%0.91644%0.444SS*.  trans-115.60179.8-67.2-172.213.700111.8I227I227-Q245 VanDerWaalsContact CD1-C 3.4Å; I227-Q245 WeakPolarHBondContact CD1-O 3.35Å; I227-Q245 WeakPolarHBondContact CD1-OXT 3.15Å

Retrieved 245 of 245 residues in 394.2 ms (Link to these results)

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