1433_DICDI Loading...

14-3-3-like protein

AlphaFold DB , UniProt , Accession P54632, Species DICDI (Dictyostelium discoideum, Social amoeba), Gene fttB, Length 252 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
1M77.9Confident95.9Very high136 Ų13675.9 Ų75.967%0.6736%0.355SS*.  0140.40-84.4-179.8-70.800108.5E5 N6 M9M1-E5 VanDerWaalsContact C-OE2 3.32Å; M1-E5 WeakPolarHBondContact CA-OE2 3.46Å; M1-E5 HydrophobicContact CB-CB 3.88Å; M1-E5 WeakPolarHBondContact CB-OE2 3.32Å; M1-E5 HydrophobicContact CG-CB 3.99Å; M1-E5 HydrophobicContact SD-CB 4.43Å; M1-N6 PolarHBondContact O-ND2 3.45Å; M1-M9 HydrophobicContact SD-CG 3.97Å
2T94.1Very high96.1Very high74 Ų7475.1 Ų75.145%0.45435%0.354SS..  trans-68.2168.2171.967.90000110.9E4 E5 N6T2-E4 VanDerWaalsContact C-N 3.29Å; T2-E4 PolarHBondContact O-N 3.48Å; T2-E5 PolarHBondContact N-OE2 2.93Å; T2-E5 PolarHBondContact O-N 3.02Å; T2-E5 WeakPolarHBondContact OG1-CB 3.43Å; T2-E5 VanDerWaalsContact OG1-CG 3.29Å; T2-E5 WeakPolarHBondContact OG1-CG 3.4Å; T2-E5 PolarHBondContact OG1-N 2.77Å; T2-E5 VanDerWaalsContact OG1-N 3.11Å; T2-N6 PolarHBondContact O-N 3.11Å; T2-N6 PolarHBondContact O-ND2 2.95Å
3R97.6Very high96.3Very high64 Ų6469.8 Ų69.824%0.24233%0.33CS..Hα-helixtrans-53.3-48.3172.2-176.6171.1177.3165.70.5111.1E5 N6 V7 V29 L32 E35 E40R3-E5 PolarHBondContact O-N 3.48Å; R3-N6 PolarHBondContact O-N 3.49Å; R3-V7 WeakPolarHBondContact O-CG2 3.44Å; R3-V7 PolarHBondContact O-N 3.28Å; R3-V29 HydrophobicContact CG-CG1 4.04Å; R3-L32 HydrophobicContact CB-CD1 3.67Å; R3-L32 HydrophobicContact CG-CD1 3.97Å; R3-E35 PolarHBondContact NH2-O 3.24Å; R3-E40 IonicContact CZ-OE1 3.37Å; R3-E40 IonicContact CZ-OE2 2.63Å; R3-E40 IonicContact NE-OE1 2.95Å; R3-E40 PolarHBondContact NE-OE1 2.95Å; R3-E40 IonicContact NE-OE2 3.56Å; R3-E40 IonicContact NH2-OE1 3.24Å; R3-E40 PolarHBondContact NH2-OE1 2.97Å; R3-E40 IonicContact NH2-OE2 3.43Å; R3-E40 PolarHBondContact NH2-OE2 2.65Å
4E97.5Very high96.4Very high164 Ų16470.1 Ų70.177%0.76633%0.332SS*.Hα-helixtrans-62.1-42.6179.4-64.6175.5-176.300112.6T2 V7 Y8T2-E4 VanDerWaalsContact C-N 3.29Å; T2-E4 PolarHBondContact O-N 3.48Å; E4-V7 PolarHBondContact O-N 2.88Å; E4-Y8 WeakPolarHBondContact O-CB 3.26Å; E4-Y8 PolarHBondContact O-N 3.27Å
5E97.7Very high96.5Very high95 Ų9576.3 Ų76.344%0.44436%0.36SS..Hα-helixtrans-63.4-43.8176.2-74.5171.4163.300111.5M1 T2 R3 Y8 M9M1-E5 VanDerWaalsContact C-OE2 3.32Å; M1-E5 WeakPolarHBondContact CA-OE2 3.46Å; M1-E5 HydrophobicContact CB-CB 3.88Å; M1-E5 WeakPolarHBondContact CB-OE2 3.32Å; M1-E5 HydrophobicContact CG-CB 3.99Å; M1-E5 HydrophobicContact SD-CB 4.43Å; T2-E5 PolarHBondContact N-OE2 2.93Å; T2-E5 PolarHBondContact O-N 3.02Å; T2-E5 WeakPolarHBondContact OG1-CB 3.43Å; T2-E5 VanDerWaalsContact OG1-CG 3.29Å; T2-E5 WeakPolarHBondContact OG1-CG 3.4Å; T2-E5 PolarHBondContact OG1-N 2.77Å; T2-E5 VanDerWaalsContact OG1-N 3.11Å; R3-E5 PolarHBondContact O-N 3.48Å; E5-Y8 PolarHBondContact O-N 3.02Å; E5-M9 WeakPolarHBondContact O-CB 3.37Å; E5-M9 VanDerWaalsContact O-CG 3.28Å; E5-M9 WeakPolarHBondContact O-CG 3.39Å; E5-M9 PolarHBondContact O-N 3.09Å
6N98.4Very high96.6Very high4 Ų475.2 Ų75.22%0.02137%0.368CS..Hα-helixtrans-64.3-43.2177.1-74-64000111.6M1 T2 R3 Y8 M9 A10 A25 K28 V29M1-N6 PolarHBondContact O-ND2 3.45Å; T2-N6 PolarHBondContact O-N 3.11Å; T2-N6 PolarHBondContact O-ND2 2.95Å; R3-N6 PolarHBondContact O-N 3.49Å; N6-Y8 VanDerWaalsContact C-N 3.34Å; N6-Y8 PolarHBondContact O-N 3.03Å; N6-M9 PolarHBondContact O-N 3.3Å; N6-A10 WeakPolarHBondContact O-CB 3.48Å; N6-A10 PolarHBondContact O-N 3.43Å; N6-A25 WeakPolarHBondContact O-CB 3.42Å; N6-K28 VanDerWaalsContact OD1-CD 3.31Å; N6-K28 WeakPolarHBondContact OD1-CD 3.36Å; N6-V29 HydrophobicContact CB-CG2 3.5Å
7V98.5Very high96.7Very high13 Ų1379.2 Ų79.28%0.07939%0.386CS..Hα-helixtrans-62.3-41.9176.1171.90000111.3R3 E4 A10 K11 V29 E40 L43R3-V7 WeakPolarHBondContact O-CG2 3.44Å; R3-V7 PolarHBondContact O-N 3.28Å; E4-V7 PolarHBondContact O-N 2.88Å; V7-A10 PolarHBondContact O-N 2.87Å; V7-K11 WeakPolarHBondContact O-CG 3.28Å; V7-K11 PolarHBondContact O-N 3.37Å; V7-V29 HydrophobicContact CG2-CG1 4.49Å; V7-V29 HydrophobicContact CG2-CG2 3.97Å; V7-E40 HydrophobicContact CG2-CG 3.72Å; V7-L43 HydrophobicContact CG1-CD1 4.03Å
8Y98.2Very high96.8Very high143 Ų14382.2 Ų82.256%0.56139%0.393SS*.Hα-helixtrans-61.8-45.1175.2178.3-106000112E4 E5 N6 A10 K11 L12E4-Y8 WeakPolarHBondContact O-CB 3.26Å; E4-Y8 PolarHBondContact O-N 3.27Å; E5-Y8 PolarHBondContact O-N 3.02Å; N6-Y8 VanDerWaalsContact C-N 3.34Å; N6-Y8 PolarHBondContact O-N 3.03Å; Y8-A10 VanDerWaalsContact C-N 3.33Å; Y8-A10 PolarHBondContact O-N 3.16Å; Y8-K11 PolarHBondContact O-N 3.34Å; Y8-L12 HydrophobicContact CD1-CD1 3.97Å; Y8-L12 HydrophobicContact CD1-CG 4.46Å; Y8-L12 HydrophobicContact CE1-CD1 3.37Å; Y8-L12 HydrophobicContact CE1-CG 4.03Å; Y8-L12 HydrophobicContact CE2-CG 4.42Å; Y8-L12 PolarHBondContact O-N 2.97Å
9M98.3Very high96.9Very high81 Ų8180.3 Ų80.340%0.39938%0.381SS..Hα-helixtrans-63.2-38.3176.1-70.7-53.4-57.700112.3M1 E5 N6 L12 A13 A25M1-M9 HydrophobicContact SD-CG 3.97Å; E5-M9 WeakPolarHBondContact O-CB 3.37Å; E5-M9 VanDerWaalsContact O-CG 3.28Å; E5-M9 WeakPolarHBondContact O-CG 3.39Å; E5-M9 PolarHBondContact O-N 3.09Å; N6-M9 PolarHBondContact O-N 3.3Å; M9-L12 PolarHBondContact O-N 3.02Å; M9-L12 HydrophobicContact SD-CD1 4.1Å; M9-A13 WeakPolarHBondContact O-CB 3.39Å; M9-A13 PolarHBondContact O-N 3.03Å; M9-A25 HydrophobicContact CB-CB 4.45Å
10A98.6Very high96.9Very high0 Ų081.1 Ų81.10%039%0.385CS..Hα-helixtrans-62.3-41.8174.400000111.8N6 V7 Y8 A13 E14 M22 A25 M26N6-A10 WeakPolarHBondContact O-CB 3.48Å; N6-A10 PolarHBondContact O-N 3.43Å; V7-A10 PolarHBondContact O-N 2.87Å; Y8-A10 VanDerWaalsContact C-N 3.33Å; Y8-A10 PolarHBondContact O-N 3.16Å; A10-A13 PolarHBondContact O-N 3.26Å; A10-E14 WeakPolarHBondContact O-CB 3.44Å; A10-E14 PolarHBondContact O-N 3.48Å; A10-M22 WeakPolarHBondContact O-CG 3.46Å; A10-A25 HydrophobicContact CB-CB 4.09Å; A10-M26 HydrophobicContact CB-CG 3.77Å; A10-M26 HydrophobicContact CB-SD 3.58Å; A10-M26 VanDerWaalsContact CB-SD 3.58Å
11K98.5Very high97Very high61 Ų6180.7 Ų80.727%0.26538%0.383SS..Hα-helixtrans-64.9-40.4175.5-68.3177.4-172.4-173.10112.5V7 Y8 E14 Q15 E39 L43V7-K11 WeakPolarHBondContact O-CG 3.28Å; V7-K11 PolarHBondContact O-N 3.37Å; Y8-K11 PolarHBondContact O-N 3.34Å; K11-E14 WeakPolarHBondContact O-CB 3.2Å; K11-E14 PolarHBondContact O-N 3.19Å; K11-Q15 WeakPolarHBondContact O-CG 2.84Å; K11-Q15 PolarHBondContact O-N 3.23Å; K11-E39 VanDerWaalsContact CE-CD 3.45Å; K11-E39 WeakPolarHBondContact CE-OE1 3.22Å; K11-E39 IonicContact NZ-OE1 3.74Å; K11-E39 PolarHBondContact NZ-OE1 3.26Å; K11-E39 IonicContact NZ-OE2 2.71Å; K11-E39 PolarHBondContact NZ-OE2 2.99Å; K11-L43 HydrophobicContact CG-CD1 3.94Å; K11-L43 HydrophobicContact CG-CD2 4.14Å
12L98.3Very high97.9Very high66 Ų6674.2 Ų74.235%0.34635%0.351SS..Hα-helixtrans-63.7-43.6174.3-73.4-179.8000111.7Y8 M9 E14 Q15 A16Y8-L12 HydrophobicContact CD1-CD1 3.97Å; Y8-L12 HydrophobicContact CD1-CG 4.46Å; Y8-L12 HydrophobicContact CE1-CD1 3.37Å; Y8-L12 HydrophobicContact CE1-CG 4.03Å; Y8-L12 HydrophobicContact CE2-CG 4.42Å; Y8-L12 PolarHBondContact O-N 2.97Å; M9-L12 PolarHBondContact O-N 3.02Å; M9-L12 HydrophobicContact SD-CD1 4.1Å; L12-E14 VanDerWaalsContact C-N 3.33Å; L12-Q15 PolarHBondContact O-N 3.2Å; L12-A16 PolarHBondContact O-N 2.74Å
13A98.4Very high98.2Very high6 Ų671.4 Ų71.45%0.0533%0.333CS..Hα-helixtrans-65.2-36.5177.400000112M9 A10 A16 E17 R18 E21 M22M9-A13 WeakPolarHBondContact O-CB 3.39Å; M9-A13 PolarHBondContact O-N 3.03Å; A10-A13 PolarHBondContact O-N 3.26Å; A13-A16 CarbonylContact O-C 3.51Å; A13-A16 PolarHBondContact O-N 3.33Å; A13-E17 PolarHBondContact O-N 3.49Å; A13-R18 HydrophobicContact CB-CB 4.3Å; A13-R18 PolarHBondContact O-N 2.96Å; A13-E21 HydrophobicContact CB-CB 4.04Å; A13-M22 HydrophobicContact CB-CB 4.48Å; A13-M22 HydrophobicContact CB-CG 3.54Å
14E98.2Very high98.2Very high74 Ų7473.7 Ų73.735%0.34635%0.347SS..Hα-helixtrans-58.7-50.3173.2-170.9179.5-15800111.7A10 K11 L12 A16 E17 M22 L43A10-E14 WeakPolarHBondContact O-CB 3.44Å; A10-E14 PolarHBondContact O-N 3.48Å; K11-E14 WeakPolarHBondContact O-CB 3.2Å; K11-E14 PolarHBondContact O-N 3.19Å; L12-E14 VanDerWaalsContact C-N 3.33Å; E14-A16 PolarHBondContact O-N 3.49Å; E14-E17 PolarHBondContact O-N 3.39Å; E14-M22 WeakPolarHBondContact CA-SD 3.45Å; E14-M22 HydrophobicContact CB-CE 3.58Å; E14-M22 HydrophobicContact CB-CG 4.48Å; E14-M22 HydrophobicContact CB-SD 3.56Å; E14-M22 VanDerWaalsContact CB-SD 3.56Å; E14-M22 HydrophobicContact CG-CE 3.87Å; E14-M22 HydrophobicContact CG-SD 4.02Å; E14-L43 WeakPolarHBondContact OE2-CD2 3.3Å
15Q97.8Very high98.2Very high163 Ų16366.2 Ų66.276%0.76231%0.313SS*.Hα-helixtrans-63.2-25178.8-68.8-179.74.900113.1K11 L12K11-Q15 WeakPolarHBondContact O-CG 2.84Å; K11-Q15 PolarHBondContact O-N 3.23Å; L12-Q15 PolarHBondContact O-N 3.2Å
16A98Very high98.3Very high59 Ų5961.7 Ų61.749%0.48829%0.292SS..THydrogen-bonded Turntrans-95.65.4176.200000113.4L12 A13 E14 R18L12-A16 PolarHBondContact O-N 2.74Å; A13-A16 CarbonylContact O-C 3.51Å; A13-A16 PolarHBondContact O-N 3.33Å; E14-A16 PolarHBondContact O-N 3.49Å; A16-R18 HydrophobicContact CB-CG 3.93Å; A16-R18 WeakPolarHBondContact O-CG 3.46Å; A16-R18 PolarHBondContact O-N 3.45Å
17E97.7Very high98.3Very high143 Ų14363.6 Ų63.667%0.66830%0.3SS*.THydrogen-bonded Turntrans53.831.1-175.9-55.9-173.2154.900113.8A13 E14 Y19A13-E17 PolarHBondContact O-N 3.49Å; E14-E17 PolarHBondContact O-N 3.39Å; E17-Y19 HydrophobicContact CB-CE2 3.92Å; E17-Y19 WeakPolarHBondContact O-CD2 3.37Å; E17-Y19 PolarHBondContact O-N 2.75Å
18R98.3Very high98.3Very high134 Ų13466.2 Ų66.251%0.50631%0.31SS..  trans-96.965.3179-55.6-165.276.3-153.3-9.9110.8A13 A16 E20 E21 M22A13-R18 HydrophobicContact CB-CB 4.3Å; A13-R18 PolarHBondContact O-N 2.96Å; A16-R18 HydrophobicContact CB-CG 3.93Å; A16-R18 WeakPolarHBondContact O-CG 3.46Å; A16-R18 PolarHBondContact O-N 3.45Å; R18-E20 VanDerWaalsContact C-N 3.26Å; R18-E20 PolarHBondContact O-N 3.15Å; R18-E21 HydrophobicContact CB-CB 4.35Å; R18-E21 HydrophobicContact CB-CG 4.34Å; R18-E21 IonicContact CZ-OE1 3.88Å; R18-E21 IonicContact CZ-OE2 2.69Å; R18-E21 IonicContact NE-OE1 3.83Å; R18-E21 IonicContact NE-OE2 3.9Å; R18-E21 IonicContact NH1-OE1 3.97Å; R18-E21 PolarHBondContact NH1-OE1 2.96Å; R18-E21 IonicContact NH1-OE2 3.02Å; R18-E21 PolarHBondContact NH1-OE2 3.1Å; R18-E21 IonicContact NH2-OE1 2.63Å; R18-E21 PolarHBondContact NH2-OE1 3.46Å; R18-E21 IonicContact NH2-OE2 3.55Å; R18-E21 WeakPolarHBondContact O-CB 3.2Å; R18-E21 PolarHBondContact O-N 3.11Å; R18-M22 PolarHBondContact O-N 3.19Å; R18-M22 VanDerWaalsContact O-N 3.14Å
19Y98.4Very high98.3Very high45 Ų4559.4 Ų59.418%0.17628%0.284CS..Hα-helixtrans-60.7-29.7-170.9-57-70.1000114.6E17 E21 M22 V23 V46 N50E17-Y19 HydrophobicContact CB-CE2 3.92Å; E17-Y19 WeakPolarHBondContact O-CD2 3.37Å; E17-Y19 PolarHBondContact O-N 2.75Å; Y19-E21 VanDerWaalsContact C-N 3.33Å; Y19-M22 HydrophobicContact CD1-SD 3.54Å; Y19-M22 VanDerWaalsContact CD1-SD 3.54Å; Y19-M22 HydrophobicContact CE1-SD 4.09Å; Y19-M22 WeakPolarHBondContact O-CB 3.47Å; Y19-M22 PolarHBondContact O-N 3.26Å; Y19-V23 WeakPolarHBondContact O-CG2 3.17Å; Y19-V23 PolarHBondContact O-N 3.23Å; Y19-V46 HydrophobicContact CE1-CG1 4.37Å; Y19-N50 HydrophobicContact CD1-CB 3.48Å; Y19-N50 VanDerWaalsContact CD1-CB 3.48Å; Y19-N50 HydrophobicContact CD2-CB 3.46Å; Y19-N50 VanDerWaalsContact CD2-CB 3.46Å; Y19-N50 HydrophobicContact CE1-CB 3.75Å; Y19-N50 VanDerWaalsContact CE1-CG 3.42Å; Y19-N50 VanDerWaalsContact CE1-ND2 3.26Å; Y19-N50 WeakPolarHBondContact CE1-ND2 3.39Å; Y19-N50 HydrophobicContact CE2-CB 3.71Å; Y19-N50 HydrophobicContact CG-CB 3.33Å; Y19-N50 VanDerWaalsContact CZ-CG 3.41Å
20E98Very high98.3Very high96 Ų9655.6 Ų55.645%0.44927%0.265SS..Hα-helixtrans-68.1-34.3176.8-79.568.2178.900111.1R18 V23 E24 V51 R55R18-E20 VanDerWaalsContact C-N 3.26Å; R18-E20 PolarHBondContact O-N 3.15Å; E20-V23 PolarHBondContact O-N 2.78Å; E20-E24 PolarHBondContact O-N 2.85Å; E20-E24 VanDerWaalsContact O-N 3.13Å; E20-V51 VanDerWaalsContact CD-CG2 3.42Å; E20-V51 HydrophobicContact CG-CG1 4.49Å; E20-V51 HydrophobicContact CG-CG2 4.09Å; E20-V51 WeakPolarHBondContact OE1-CG1 3.27Å; E20-R55 IonicContact OE1-CZ 3.98Å; E20-R55 IonicContact OE1-NH2 2.72Å; E20-R55 PolarHBondContact OE1-NH2 2.88Å
21E98.2Very high98.2Very high74 Ų7460 Ų6035%0.34629%0.286SS..Hα-helixtrans-73.7-33.9171.3-61.5-170.5165.700111.4A13 R18 Y19 V23 E24 A25A13-E21 HydrophobicContact CB-CB 4.04Å; R18-E21 HydrophobicContact CB-CB 4.35Å; R18-E21 HydrophobicContact CB-CG 4.34Å; R18-E21 IonicContact CZ-OE1 3.88Å; R18-E21 IonicContact CZ-OE2 2.69Å; R18-E21 IonicContact NE-OE1 3.83Å; R18-E21 IonicContact NE-OE2 3.9Å; R18-E21 IonicContact NH1-OE1 3.97Å; R18-E21 PolarHBondContact NH1-OE1 2.96Å; R18-E21 IonicContact NH1-OE2 3.02Å; R18-E21 PolarHBondContact NH1-OE2 3.1Å; R18-E21 IonicContact NH2-OE1 2.63Å; R18-E21 PolarHBondContact NH2-OE1 3.46Å; R18-E21 IonicContact NH2-OE2 3.55Å; R18-E21 WeakPolarHBondContact O-CB 3.2Å; R18-E21 PolarHBondContact O-N 3.11Å; Y19-E21 VanDerWaalsContact C-N 3.33Å; E21-V23 VanDerWaalsContact C-N 3.32Å; E21-V23 PolarHBondContact O-N 3.17Å; E21-E24 PolarHBondContact O-N 3.4Å; E21-A25 WeakPolarHBondContact O-CB 3.33Å; E21-A25 PolarHBondContact O-N 3.29Å
22M98.3Very high98.2Very high0 Ų061.1 Ų61.10%029%0.294CS..Hα-helixtrans-60.7-43170.5-61.5-179.46700111.3A10 A13 E14 R18 Y19 A25 M26 L43 V46 A47A10-M22 WeakPolarHBondContact O-CG 3.46Å; A13-M22 HydrophobicContact CB-CB 4.48Å; A13-M22 HydrophobicContact CB-CG 3.54Å; E14-M22 WeakPolarHBondContact CA-SD 3.45Å; E14-M22 HydrophobicContact CB-CE 3.58Å; E14-M22 HydrophobicContact CB-CG 4.48Å; E14-M22 HydrophobicContact CB-SD 3.56Å; E14-M22 VanDerWaalsContact CB-SD 3.56Å; E14-M22 HydrophobicContact CG-CE 3.87Å; E14-M22 HydrophobicContact CG-SD 4.02Å; R18-M22 PolarHBondContact O-N 3.19Å; R18-M22 VanDerWaalsContact O-N 3.14Å; Y19-M22 HydrophobicContact CD1-SD 3.54Å; Y19-M22 VanDerWaalsContact CD1-SD 3.54Å; Y19-M22 HydrophobicContact CE1-SD 4.09Å; Y19-M22 WeakPolarHBondContact O-CB 3.47Å; Y19-M22 PolarHBondContact O-N 3.26Å; M22-A25 PolarHBondContact O-N 3.28Å; M22-M26 VanDerWaalsContact O-CB 3.32Å; M22-M26 WeakPolarHBondContact O-CB 3.44Å; M22-M26 VanDerWaalsContact O-CG 3.31Å; M22-M26 WeakPolarHBondContact O-CG 3.31Å; M22-M26 PolarHBondContact O-N 3.5Å; M22-L43 HydrophobicContact CE-CD2 4.03Å; M22-V46 HydrophobicContact CE-CG1 4.22Å; M22-A47 HydrophobicContact CB-CB 3.49Å; M22-A47 VanDerWaalsContact CB-CB 3.49Å; M22-A47 HydrophobicContact CE-CB 4.19Å; M22-A47 HydrophobicContact SD-CB 4.41Å
23V98.6Very high98.1Very high15 Ų1562.2 Ų62.29%0.09130%0.3CS..Hα-helixtrans-58.6-51.3175.7166.90000109.8Y19 E20 E21 A25 M26 K27 A47 Y48 V51Y19-V23 WeakPolarHBondContact O-CG2 3.17Å; Y19-V23 PolarHBondContact O-N 3.23Å; E20-V23 PolarHBondContact O-N 2.78Å; E21-V23 VanDerWaalsContact C-N 3.32Å; E21-V23 PolarHBondContact O-N 3.17Å; V23-A25 VanDerWaalsContact C-N 3.33Å; V23-A25 PolarHBondContact O-N 2.96Å; V23-M26 PolarHBondContact O-N 3.45Å; V23-K27 HydrophobicContact CG1-CD 3.96Å; V23-K27 HydrophobicContact CG1-CG 4.16Å; V23-K27 WeakPolarHBondContact O-CB 3.19Å; V23-K27 VanDerWaalsContact O-CG 3.26Å; V23-K27 WeakPolarHBondContact O-CG 3.37Å; V23-K27 PolarHBondContact O-N 2.93Å; V23-A47 HydrophobicContact CG2-CB 3.81Å; V23-Y48 HydrophobicContact CB-CE2 4.42Å; V23-Y48 HydrophobicContact CG1-CD1 4.5Å; V23-Y48 HydrophobicContact CG1-CE1 3.77Å; V23-Y48 HydrophobicContact CG1-CE2 3.83Å; V23-Y48 VanDerWaalsContact CG1-CZ 3.42Å; V23-Y48 WeakPolarHBondContact CG1-OH 3.25Å; V23-Y48 HydrophobicContact CG2-CD1 4.01Å; V23-Y48 HydrophobicContact CG2-CD2 3.96Å; V23-Y48 HydrophobicContact CG2-CE1 4.11Å; V23-Y48 HydrophobicContact CG2-CE2 4.06Å; V23-Y48 HydrophobicContact CG2-CG 3.95Å; V23-V51 HydrophobicContact CG2-CG2 4.03Å
24E98.4Very high98Very high111 Ų11165.5 Ų65.552%0.51932%0.319SS..Hα-helixtrans-57.1-45.1179.8-168.5-165.9150.300112.4E20 E21 K28E20-E24 PolarHBondContact O-N 2.85Å; E20-E24 VanDerWaalsContact O-N 3.13Å; E21-E24 PolarHBondContact O-N 3.4Å; E24-K28 WeakPolarHBondContact O-CG 3.37Å; E24-K28 PolarHBondContact O-N 3.14Å; E24-K28 IonicContact OE1-NZ 3.86Å; E24-K28 PolarHBondContact OE1-NZ 3.05Å
25A98.4Very high97.9Very high7 Ų764.9 Ų64.96%0.05832%0.316CS..Hα-helixtrans-67-45.8179.300000112N6 M9 A10 E21 M22 V23 K28 V29N6-A25 WeakPolarHBondContact O-CB 3.42Å; M9-A25 HydrophobicContact CB-CB 4.45Å; A10-A25 HydrophobicContact CB-CB 4.09Å; E21-A25 WeakPolarHBondContact O-CB 3.33Å; E21-A25 PolarHBondContact O-N 3.29Å; M22-A25 PolarHBondContact O-N 3.28Å; V23-A25 VanDerWaalsContact C-N 3.33Å; V23-A25 PolarHBondContact O-N 2.96Å; A25-K28 WeakPolarHBondContact O-CB 3.4Å; A25-K28 PolarHBondContact O-N 2.84Å; A25-V29 PolarHBondContact O-N 2.89Å
26M98.6Very high97.9Very high0 Ų057.5 Ų57.50%028%0.282CS..Hα-helixtrans-73.9-27-177.1-68.3-52.6-5100113.2A10 M22 V23 V29 A30 E40 L43 L44A10-M26 HydrophobicContact CB-CG 3.77Å; A10-M26 HydrophobicContact CB-SD 3.58Å; A10-M26 VanDerWaalsContact CB-SD 3.58Å; M22-M26 VanDerWaalsContact O-CB 3.32Å; M22-M26 WeakPolarHBondContact O-CB 3.44Å; M22-M26 VanDerWaalsContact O-CG 3.31Å; M22-M26 WeakPolarHBondContact O-CG 3.31Å; M22-M26 PolarHBondContact O-N 3.5Å; V23-M26 PolarHBondContact O-N 3.45Å; M26-V29 HydrophobicContact CE-CB 4.12Å; M26-V29 HydrophobicContact CE-CG1 4.22Å; M26-V29 HydrophobicContact CE-CG2 4.37Å; M26-V29 WeakPolarHBondContact O-CB 3.34Å; M26-V29 PolarHBondContact O-N 3.07Å; M26-V29 HydrophobicContact SD-CG2 4.44Å; M26-A30 PolarHBondContact O-N 2.71Å; M26-E40 HydrophobicContact CE-CB 3.97Å; M26-E40 HydrophobicContact CE-CG 4.48Å; M26-E40 VanDerWaalsContact CE-O 3.24Å; M26-E40 WeakPolarHBondContact CE-O 3.28Å; M26-L43 HydrophobicContact CE-CB 4.28Å; M26-L43 HydrophobicContact CG-CB 4.23Å; M26-L43 HydrophobicContact SD-CB 3.94Å; M26-L43 HydrophobicContact SD-CD1 4.33Å; M26-L44 HydrophobicContact CB-CB 4.2Å; M26-L44 HydrophobicContact CB-CD1 3.62Å; M26-L44 HydrophobicContact CE-CB 4.34Å
27K98.2Very high97.9Very high45 Ų4558.1 Ų58.120%0.19628%0.28CS..Hα-helixtrans-60-46.7168.6-77.6-174.472.8175.10111.7V23 V29 A30 E31 Y48 D98 V102V23-K27 HydrophobicContact CG1-CD 3.96Å; V23-K27 HydrophobicContact CG1-CG 4.16Å; V23-K27 WeakPolarHBondContact O-CB 3.19Å; V23-K27 VanDerWaalsContact O-CG 3.26Å; V23-K27 WeakPolarHBondContact O-CG 3.37Å; V23-K27 PolarHBondContact O-N 2.93Å; K27-V29 PolarHBondContact O-N 3.47Å; K27-A30 WeakPolarHBondContact O-CB 3.4Å; K27-A30 PolarHBondContact O-N 2.89Å; K27-E31 WeakPolarHBondContact O-CB 3.49Å; K27-E31 VanDerWaalsContact O-CG 3.3Å; K27-E31 WeakPolarHBondContact O-CG 3.49Å; K27-E31 PolarHBondContact O-N 2.84Å; K27-Y48 WeakPolarHBondContact CD-OH 3.4Å; K27-Y48 WeakPolarHBondContact CG-OH 3.49Å; K27-D98 IonicContact NZ-OD1 2.62Å; K27-D98 PolarHBondContact NZ-OD1 3.08Å; K27-D98 IonicContact NZ-OD2 3.45Å; K27-V102 HydrophobicContact CD-CG2 4.32Å; K27-V102 HydrophobicContact CG-CG2 4.06Å
28K98.2Very high97.8Very high68 Ų6855 Ų5530%0.29627%0.271SS..Hα-helixtrans-60-28.5176.3-67.2167.9-173.2164.30112.6N6 E24 A25 L32N6-K28 VanDerWaalsContact OD1-CD 3.31Å; N6-K28 WeakPolarHBondContact OD1-CD 3.36Å; E24-K28 WeakPolarHBondContact O-CG 3.37Å; E24-K28 PolarHBondContact O-N 3.14Å; E24-K28 IonicContact OE1-NZ 3.86Å; E24-K28 PolarHBondContact OE1-NZ 3.05Å; A25-K28 WeakPolarHBondContact O-CB 3.4Å; A25-K28 PolarHBondContact O-N 2.84Å; K28-L32 WeakPolarHBondContact O-CG 3.49Å
29V98.4Very high97.8Very high0 Ų053.8 Ų53.80%027%0.27CS..Hα-helixtrans-75.9-43.3173.9177.50000110.9R3 N6 V7 A25 M26 K27 L32 L36R3-V29 HydrophobicContact CG-CG1 4.04Å; N6-V29 HydrophobicContact CB-CG2 3.5Å; V7-V29 HydrophobicContact CG2-CG1 4.49Å; V7-V29 HydrophobicContact CG2-CG2 3.97Å; A25-V29 PolarHBondContact O-N 2.89Å; M26-V29 HydrophobicContact CE-CB 4.12Å; M26-V29 HydrophobicContact CE-CG1 4.22Å; M26-V29 HydrophobicContact CE-CG2 4.37Å; M26-V29 WeakPolarHBondContact O-CB 3.34Å; M26-V29 PolarHBondContact O-N 3.07Å; M26-V29 HydrophobicContact SD-CG2 4.44Å; K27-V29 PolarHBondContact O-N 3.47Å; V29-L32 WeakPolarHBondContact O-CB 3.41Å; V29-L32 PolarHBondContact O-N 3.22Å; V29-L36 HydrophobicContact CG1-CD2 3.65Å
30A98.1Very high97.8Very high0 Ų052.2 Ų52.20%027%0.265CS..Hα-helixtrans-61.4-42.2176.600000112.1M26 K27 L32 D33 V102 H106 L107M26-A30 PolarHBondContact O-N 2.71Å; K27-A30 WeakPolarHBondContact O-CB 3.4Å; K27-A30 PolarHBondContact O-N 2.89Å; A30-L32 PolarHBondContact O-N 2.94Å; A30-D33 PolarHBondContact O-N 3.48Å; A30-D33 VanDerWaalsContact O-N 3.1Å; A30-V102 HydrophobicContact CB-CG1 3.62Å; A30-H106 WeakPolarHBondContact O-CB 3.37Å; A30-L107 HydrophobicContact CB-CD1 4.36Å; A30-L107 HydrophobicContact CB-CD2 3.68Å; A30-L107 HydrophobicContact CB-CG 4.07Å
31E97.4Very high97.8Very high94 Ų9448.1 Ų48.144%0.43925%0.245SC..THydrogen-bonded Turntrans-63.2-6.4178.5-72.7166.1-164.400114.3K27 D33K27-E31 WeakPolarHBondContact O-CB 3.49Å; K27-E31 VanDerWaalsContact O-CG 3.3Å; K27-E31 WeakPolarHBondContact O-CG 3.49Å; K27-E31 PolarHBondContact O-N 2.84Å; E31-D33 PolarHBondContact O-N 2.88Å
32L97.4Very high97.7Very high84 Ų8448.1 Ų48.144%0.4425%0.248SC..THydrogen-bonded Turntrans-77.4-7.2172.5-60.8176000112.9R3 K28 V29 A30 V34R3-L32 HydrophobicContact CB-CD1 3.67Å; R3-L32 HydrophobicContact CG-CD1 3.97Å; K28-L32 WeakPolarHBondContact O-CG 3.49Å; V29-L32 WeakPolarHBondContact O-CB 3.41Å; V29-L32 PolarHBondContact O-N 3.22Å; A30-L32 PolarHBondContact O-N 2.94Å; L32-V34 WeakPolarHBondContact O-CG2 3.32Å; L32-V34 PolarHBondContact O-N 3.43Å
33D97.1Very high97.7Very high89 Ų8948.6 Ų48.648%0.47625%0.25SS..  trans55.132.1179.5-63.7-43.1000113.8A30 E31 H106 S110A30-D33 PolarHBondContact O-N 3.48Å; A30-D33 VanDerWaalsContact O-N 3.1Å; E31-D33 PolarHBondContact O-N 2.88Å; D33-H106 WeakPolarHBondContact OD1-CA 3.45Å; D33-H106 WeakPolarHBondContact OD1-CB 3.23Å; D33-H106 IonicContact OD1-CE1 2.91Å; D33-H106 IonicContact OD1-CG 2.69Å; D33-H106 IonicContact OD1-ND1 3.8Å; D33-H106 PolarHBondContact OD1-ND1 3.24Å; D33-H106 IonicContact OD2-ND1 2.74Å; D33-S110 WeakPolarHBondContact O-CB 3.38Å
34V96.1Very high97.7Very high74 Ų7447.9 Ų47.945%0.44825%0.246SC..SBendtrans-114.9139.3173.8-177.40000109.1L32 L36L32-V34 WeakPolarHBondContact O-CG2 3.32Å; L32-V34 PolarHBondContact O-N 3.43Å; V34-L36 PolarHBondContact O-N 3.3Å
35E97Very high97.7Very high62 Ų6244.1 Ų44.129%0.2923%0.232SC..PPolyproline II helixtrans-50.8128.4176.3-170166.3-157.100111R3 A112 S113 S116R3-E35 PolarHBondContact NH2-O 3.24Å; E35-A112 PolarHBondContact OE1-N 3.42Å; E35-A112 VanDerWaalsContact OE2-CB 3.27Å; E35-A112 WeakPolarHBondContact OE2-CB 3.42Å; E35-A112 PolarHBondContact OE2-N 2.96Å; E35-S113 PolarHBondContact OE1-N 2.97Å; E35-S113 VanDerWaalsContact OE1-N 3.13Å; E35-S113 PolarHBondContact OE1-OG 3.08Å; E35-S116 PolarHBondContact OE1-OG 3.4Å
36L98.1Very high97.7Very high7 Ų746 Ų464%0.03724%0.242CC..PPolyproline II helixtrans-73.8141176.6-58.4-169.1000110V29 V34 E40 R41 L44 L107 Y120V29-L36 HydrophobicContact CG1-CD2 3.65Å; V34-L36 PolarHBondContact O-N 3.3Å; L36-E40 HydrophobicContact CB-CB 3.99Å; L36-E40 HydrophobicContact CD1-CB 4.43Å; L36-E40 HydrophobicContact CD2-CB 4.36Å; L36-E40 HydrophobicContact CG-CB 4.5Å; L36-R41 HydrophobicContact CB-CB 4.26Å; L36-L44 HydrophobicContact CD1-CD2 4.28Å; L36-L107 HydrophobicContact CD1-CD2 3.62Å; L36-L107 HydrophobicContact CD2-CD2 4.48Å; L36-L107 HydrophobicContact CG-CD2 3.81Å; L36-Y120 WeakPolarHBondContact CB-OH 3.35Å
37T97.5Very high97.7Very high72 Ų7246 Ų4644%0.44224%0.242SC..PPolyproline II helixtrans-64.3163.6165.162.30000110.4E39 E40 R41T37-E39 PolarHBondContact O-N 3.09Å; T37-E40 WeakPolarHBondContact CB-OE2 3.39Å; T37-E40 WeakPolarHBondContact CG2-OE2 3.45Å; T37-E40 PolarHBondContact N-OE2 2.68Å; T37-E40 PolarHBondContact O-N 2.89Å; T37-E40 WeakPolarHBondContact OG1-CB 3.33Å; T37-E40 VanDerWaalsContact OG1-CD 3.24Å; T37-E40 VanDerWaalsContact OG1-CG 3.25Å; T37-E40 WeakPolarHBondContact OG1-CG 3.11Å; T37-E40 PolarHBondContact OG1-N 3.44Å; T37-E40 PolarHBondContact OG1-OE2 3.19Å; T37-R41 WeakPolarHBondContact O-CB 3.32Å; T37-R41 PolarHBondContact O-N 2.86Å
38V95.7Very high97.7Very high79 Ų7943.9 Ų43.948%0.47923%0.233SC..Hα-helixtrans-55-41.4175.5173.50000111.5N42V38-N42 WeakPolarHBondContact O-CB 3.38Å; V38-N42 PolarHBondContact O-N 2.86Å; V38-N42 PolarHBondContact O-ND2 3.44Å; V38-N42 PolarHBondContact O-OD1 3.17Å
39E97.2Very high97.7Very high107 Ų10747.6 Ų47.650%0.525%0.249SC..Hα-helixtrans-64.3-48.7178.4-173179.4-145.100111.7K11 T37 R41 N42 L43K11-E39 VanDerWaalsContact CE-CD 3.45Å; K11-E39 WeakPolarHBondContact CE-OE1 3.22Å; K11-E39 IonicContact NZ-OE1 3.74Å; K11-E39 PolarHBondContact NZ-OE1 3.26Å; K11-E39 IonicContact NZ-OE2 2.71Å; K11-E39 PolarHBondContact NZ-OE2 2.99Å; T37-E39 PolarHBondContact O-N 3.09Å; E39-R41 PolarHBondContact O-N 3.4Å; E39-N42 PolarHBondContact O-N 3.39Å; E39-L43 HydrophobicContact CG-CD1 4.37Å; E39-L43 WeakPolarHBondContact O-CG 3.48Å; E39-L43 PolarHBondContact O-N 3.33Å
40E98.4Very high97.7Very high13 Ų1350.4 Ų50.46%0.06126%0.264CS..Hα-helixtrans-63.9-42.9179.7-71165141.700112.1R3 V7 M26 L36 T37 N42 L43 L44R3-E40 IonicContact CZ-OE1 3.37Å; R3-E40 IonicContact CZ-OE2 2.63Å; R3-E40 IonicContact NE-OE1 2.95Å; R3-E40 PolarHBondContact NE-OE1 2.95Å; R3-E40 IonicContact NE-OE2 3.56Å; R3-E40 IonicContact NH2-OE1 3.24Å; R3-E40 PolarHBondContact NH2-OE1 2.97Å; R3-E40 IonicContact NH2-OE2 3.43Å; R3-E40 PolarHBondContact NH2-OE2 2.65Å; V7-E40 HydrophobicContact CG2-CG 3.72Å; M26-E40 HydrophobicContact CE-CB 3.97Å; M26-E40 HydrophobicContact CE-CG 4.48Å; M26-E40 VanDerWaalsContact CE-O 3.24Å; M26-E40 WeakPolarHBondContact CE-O 3.28Å; L36-E40 HydrophobicContact CB-CB 3.99Å; L36-E40 HydrophobicContact CD1-CB 4.43Å; L36-E40 HydrophobicContact CD2-CB 4.36Å; L36-E40 HydrophobicContact CG-CB 4.5Å; T37-E40 WeakPolarHBondContact CB-OE2 3.39Å; T37-E40 WeakPolarHBondContact CG2-OE2 3.45Å; T37-E40 PolarHBondContact N-OE2 2.68Å; T37-E40 PolarHBondContact O-N 2.89Å; T37-E40 WeakPolarHBondContact OG1-CB 3.33Å; T37-E40 VanDerWaalsContact OG1-CD 3.24Å; T37-E40 VanDerWaalsContact OG1-CG 3.25Å; T37-E40 WeakPolarHBondContact OG1-CG 3.11Å; T37-E40 PolarHBondContact OG1-N 3.44Å; T37-E40 PolarHBondContact OG1-OE2 3.19Å; E40-N42 VanDerWaalsContact C-N 3.29Å; E40-N42 PolarHBondContact O-N 3.09Å; E40-L43 PolarHBondContact O-N 3.39Å; E40-L44 PolarHBondContact O-N 2.69Å
41R98Very high97.7Very high10 Ų1050.9 Ų50.94%0.03827%0.267CS..Hα-helixtrans-59.8-42.1174.8-179-169.771.5-157.12.5111.3L36 T37 E39 S45 E115 F119 Y120L36-R41 HydrophobicContact CB-CB 4.26Å; T37-R41 WeakPolarHBondContact O-CB 3.32Å; T37-R41 PolarHBondContact O-N 2.86Å; E39-R41 PolarHBondContact O-N 3.4Å; R41-S45 WeakPolarHBondContact O-CB 3.33Å; R41-S45 PolarHBondContact O-N 3.13Å; R41-E115 IonicContact CZ-OE1 3.69Å; R41-E115 VanDerWaalsContact CZ-OE1 3.24Å; R41-E115 IonicContact NH1-OE1 3.45Å; R41-E115 PolarHBondContact NH1-OE1 3.17Å; R41-E115 IonicContact NH2-OE1 3.51Å; R41-E115 PolarHBondContact NH2-OE1 3.29Å; R41-F119 HydrophobicContact CG-CD1 3.57Å; R41-F119 HydrophobicContact CG-CD2 4.4Å; R41-F119 HydrophobicContact CG-CE1 3.38Å; R41-F119 HydrophobicContact CG-CE2 4.24Å; R41-F119 HydrophobicContact CG-CG 4.08Å; R41-F119 HydrophobicContact CG-CZ 3.72Å; R41-Y120 HydrophobicContact CG-CE1 3.93Å
42N96.8Very high97.8Very high73 Ų7346.5 Ų46.539%0.3925%0.247SC..Hα-helixtrans-66.2-42.8177.3-71.7-11.8000111.4V38 E39 E40 L44 S45 V46V38-N42 WeakPolarHBondContact O-CB 3.38Å; V38-N42 PolarHBondContact O-N 2.86Å; V38-N42 PolarHBondContact O-ND2 3.44Å; V38-N42 PolarHBondContact O-OD1 3.17Å; E39-N42 PolarHBondContact O-N 3.39Å; E40-N42 VanDerWaalsContact C-N 3.29Å; E40-N42 PolarHBondContact O-N 3.09Å; N42-L44 PolarHBondContact O-N 3.45Å; N42-S45 PolarHBondContact O-N 2.91Å; N42-V46 WeakPolarHBondContact O-CB 3.42Å; N42-V46 WeakPolarHBondContact O-CG2 3.47Å; N42-V46 PolarHBondContact O-N 3.34Å
43L98.5Very high97.8Very high10 Ų1043.9 Ų43.95%0.05224%0.24CC..Hα-helixtrans-59-46.9175.5-74.8169.4000112.2V7 K11 E14 M22 M26 E39 E40 S45 V46 A47V7-L43 HydrophobicContact CG1-CD1 4.03Å; K11-L43 HydrophobicContact CG-CD1 3.94Å; K11-L43 HydrophobicContact CG-CD2 4.14Å; E14-L43 WeakPolarHBondContact OE2-CD2 3.3Å; M22-L43 HydrophobicContact CE-CD2 4.03Å; M26-L43 HydrophobicContact CE-CB 4.28Å; M26-L43 HydrophobicContact CG-CB 4.23Å; M26-L43 HydrophobicContact SD-CB 3.94Å; M26-L43 HydrophobicContact SD-CD1 4.33Å; E39-L43 HydrophobicContact CG-CD1 4.37Å; E39-L43 WeakPolarHBondContact O-CG 3.48Å; E39-L43 PolarHBondContact O-N 3.33Å; E40-L43 PolarHBondContact O-N 3.39Å; L43-S45 VanDerWaalsContact C-N 3.32Å; L43-S45 PolarHBondContact O-N 3.44Å; L43-V46 PolarHBondContact O-N 3.02Å; L43-A47 WeakPolarHBondContact O-CB 3.34Å; L43-A47 PolarHBondContact O-N 3.49Å
44L98.6Very high97.8Very high0 Ų041.5 Ų41.50%023%0.233CC..Hα-helixtrans-58.4-45.5175.6-179.778.5000111.3M26 L36 E40 N42 A47 Y48 L107M26-L44 HydrophobicContact CB-CB 4.2Å; M26-L44 HydrophobicContact CB-CD1 3.62Å; M26-L44 HydrophobicContact CE-CB 4.34Å; L36-L44 HydrophobicContact CD1-CD2 4.28Å; E40-L44 PolarHBondContact O-N 2.69Å; N42-L44 PolarHBondContact O-N 3.45Å; L44-A47 PolarHBondContact O-N 2.83Å; L44-Y48 HydrophobicContact CD1-CD2 3.91Å; L44-Y48 HydrophobicContact CD1-CE2 3.69Å; L44-Y48 HydrophobicContact CG-CD2 4.24Å; L44-Y48 HydrophobicContact CG-CE2 4.45Å; L44-Y48 PolarHBondContact O-N 3.37Å; L44-Y48 VanDerWaalsContact O-N 3.14Å; L44-L107 HydrophobicContact CD2-CD1 3.3Å
45S98.1Very high97.9Very high33 Ų3341 Ų4123%0.23122%0.223CC..Hα-helixtrans-64.1-45.8179.4-177.30000112.2R41 N42 L43 A47 K49R41-S45 WeakPolarHBondContact O-CB 3.33Å; R41-S45 PolarHBondContact O-N 3.13Å; N42-S45 PolarHBondContact O-N 2.91Å; L43-S45 VanDerWaalsContact C-N 3.32Å; L43-S45 PolarHBondContact O-N 3.44Å; S45-A47 VanDerWaalsContact C-N 3.34Å; S45-A47 PolarHBondContact O-N 3.48Å; S45-K49 WeakPolarHBondContact O-CB 3.45Å; S45-K49 PolarHBondContact O-N 3.14Å
46V98.3Very high98Very high45 Ų4539.5 Ų39.527%0.27322%0.215SC..Hα-helixtrans-60.3-44.2176.3168.60000111Y19 M22 N42 L43 N50Y19-V46 HydrophobicContact CE1-CG1 4.37Å; M22-V46 HydrophobicContact CE-CG1 4.22Å; N42-V46 WeakPolarHBondContact O-CB 3.42Å; N42-V46 WeakPolarHBondContact O-CG2 3.47Å; N42-V46 PolarHBondContact O-N 3.34Å; L43-V46 PolarHBondContact O-N 3.02Å; V46-N50 PolarHBondContact O-N 3.41Å; V46-N50 VanDerWaalsContact O-N 3.13Å; V46-N50 PolarHBondContact O-ND2 3.49Å
47A98.6Very high98Very high0 Ų041.4 Ų41.40%023%0.231CC..Hα-helixtrans-55.2-63.2177.800000110.9M22 V23 L43 L44 S45 K49 N50 V51M22-A47 HydrophobicContact CB-CB 3.49Å; M22-A47 VanDerWaalsContact CB-CB 3.49Å; M22-A47 HydrophobicContact CE-CB 4.19Å; M22-A47 HydrophobicContact SD-CB 4.41Å; V23-A47 HydrophobicContact CG2-CB 3.81Å; L43-A47 WeakPolarHBondContact O-CB 3.34Å; L43-A47 PolarHBondContact O-N 3.49Å; L44-A47 PolarHBondContact O-N 2.83Å; S45-A47 VanDerWaalsContact C-N 3.34Å; S45-A47 PolarHBondContact O-N 3.48Å; A47-K49 PolarHBondContact O-N 3.02Å; A47-N50 PolarHBondContact O-N 2.93Å; A47-V51 WeakPolarHBondContact O-CG2 3.47Å; A47-V51 PolarHBondContact O-N 3.35Å
48Y98.7Very high98Very high1 Ų140.1 Ų40.10%0.00423%0.225CC..Hα-helixtrans-65.4-36.6-176.9-82.7-80.6000113V23 K27 L44 N50 V51 I52 I95 D98 I99 Y127V23-Y48 HydrophobicContact CB-CE2 4.42Å; V23-Y48 HydrophobicContact CG1-CD1 4.5Å; V23-Y48 HydrophobicContact CG1-CE1 3.77Å; V23-Y48 HydrophobicContact CG1-CE2 3.83Å; V23-Y48 VanDerWaalsContact CG1-CZ 3.42Å; V23-Y48 WeakPolarHBondContact CG1-OH 3.25Å; V23-Y48 HydrophobicContact CG2-CD1 4.01Å; V23-Y48 HydrophobicContact CG2-CD2 3.96Å; V23-Y48 HydrophobicContact CG2-CE1 4.11Å; V23-Y48 HydrophobicContact CG2-CE2 4.06Å; V23-Y48 HydrophobicContact CG2-CG 3.95Å; K27-Y48 WeakPolarHBondContact CD-OH 3.4Å; K27-Y48 WeakPolarHBondContact CG-OH 3.49Å; L44-Y48 HydrophobicContact CD1-CD2 3.91Å; L44-Y48 HydrophobicContact CD1-CE2 3.69Å; L44-Y48 HydrophobicContact CG-CD2 4.24Å; L44-Y48 HydrophobicContact CG-CE2 4.45Å; L44-Y48 PolarHBondContact O-N 3.37Å; L44-Y48 VanDerWaalsContact O-N 3.14Å; Y48-N50 VanDerWaalsContact C-N 3.31Å; Y48-N50 PolarHBondContact O-N 3.04Å; Y48-V51 PolarHBondContact O-N 3.34Å; Y48-I52 WeakPolarHBondContact O-CB 3.48Å; Y48-I52 VanDerWaalsContact O-CG2 3.24Å; Y48-I52 WeakPolarHBondContact O-CG2 3.3Å; Y48-I52 PolarHBondContact O-N 3.21Å; Y48-I95 HydrophobicContact CD1-CG2 4.34Å; Y48-D98 VanDerWaalsContact CE1-OD2 3.3Å; Y48-D98 WeakPolarHBondContact CE1-OD2 3.46Å; Y48-D98 PolarHBondContact OH-OD2 2.98Å; Y48-I99 HydrophobicContact CD1-CB 3.76Å; Y48-I99 HydrophobicContact CD1-CG1 4.35Å; Y48-I99 HydrophobicContact CD1-CG2 4.35Å; Y48-I99 HydrophobicContact CD2-CB 4.46Å; Y48-I99 HydrophobicContact CD2-CD1 3.76Å; Y48-I99 HydrophobicContact CD2-CG1 4.3Å; Y48-I99 HydrophobicContact CE1-CB 3.62Å; Y48-I99 HydrophobicContact CE1-CG1 4.46Å; Y48-I99 HydrophobicContact CE1-CG2 4.47Å; Y48-I99 HydrophobicContact CE2-CB 4.33Å; Y48-I99 HydrophobicContact CE2-CD1 3.67Å; Y48-I99 HydrophobicContact CE2-CG1 4.4Å; Y48-I99 HydrophobicContact CG-CB 4.17Å; Y48-I99 HydrophobicContact CG-CD1 4.22Å; Y48-I99 HydrophobicContact CG-CG1 4.25Å; Y48-Y127 VanDerWaalsContact C-OH 3.3Å; Y48-Y127 VanDerWaalsContact CB-OH 3.24Å; Y48-Y127 WeakPolarHBondContact CB-OH 3.41Å; Y48-Y127 PolarHBondContact O-OH 3.2Å
49K98.1Very high98.2Very high147 Ų14738 Ų3864%0.63921%0.208SC*.Hα-helixtrans-58.8-40.9177.8-179.5-177.9176.8-174.10112.1S45 A47 G53S45-K49 WeakPolarHBondContact O-CB 3.45Å; S45-K49 PolarHBondContact O-N 3.14Å; A47-K49 PolarHBondContact O-N 3.02Å; K49-G53 WeakPolarHBondContact O-CA 3.33Å; K49-G53 PolarHBondContact O-N 3.34Å
50N98.2Very high98.2Very high59 Ų5937.9 Ų37.932%0.31620%0.203SC..Hα-helixtrans-72.4-44.5178.8-81-73.3000111.9Y19 V46 A47 Y48 G53 A54Y19-N50 HydrophobicContact CD1-CB 3.48Å; Y19-N50 VanDerWaalsContact CD1-CB 3.48Å; Y19-N50 HydrophobicContact CD2-CB 3.46Å; Y19-N50 VanDerWaalsContact CD2-CB 3.46Å; Y19-N50 HydrophobicContact CE1-CB 3.75Å; Y19-N50 VanDerWaalsContact CE1-CG 3.42Å; Y19-N50 VanDerWaalsContact CE1-ND2 3.26Å; Y19-N50 WeakPolarHBondContact CE1-ND2 3.39Å; Y19-N50 HydrophobicContact CE2-CB 3.71Å; Y19-N50 HydrophobicContact CG-CB 3.33Å; Y19-N50 VanDerWaalsContact CZ-CG 3.41Å; V46-N50 PolarHBondContact O-N 3.41Å; V46-N50 VanDerWaalsContact O-N 3.13Å; V46-N50 PolarHBondContact O-ND2 3.49Å; A47-N50 PolarHBondContact O-N 2.93Å; Y48-N50 VanDerWaalsContact C-N 3.31Å; Y48-N50 PolarHBondContact O-N 3.04Å; N50-G53 PolarHBondContact O-N 3.19Å; N50-A54 PolarHBondContact O-N 2.9Å; N50-A54 VanDerWaalsContact O-N 3.09Å
51V98.2Very high98.2Very high9 Ų942.3 Ų42.36%0.05523%0.226CC..Hα-helixtrans-58-52.5177.31760000111.3E20 V23 A47 Y48 R55 I95E20-V51 VanDerWaalsContact CD-CG2 3.42Å; E20-V51 HydrophobicContact CG-CG1 4.49Å; E20-V51 HydrophobicContact CG-CG2 4.09Å; E20-V51 WeakPolarHBondContact OE1-CG1 3.27Å; V23-V51 HydrophobicContact CG2-CG2 4.03Å; A47-V51 WeakPolarHBondContact O-CG2 3.47Å; A47-V51 PolarHBondContact O-N 3.35Å; Y48-V51 PolarHBondContact O-N 3.34Å; V51-R55 PolarHBondContact O-N 3.18Å; V51-R55 PolarHBondContact O-NE 3.04Å; V51-I95 HydrophobicContact CG1-CD1 3.69Å; V51-I95 HydrophobicContact CG1-CG1 3.91Å; V51-I95 HydrophobicContact CG1-CG2 4.08Å
52I98.4Very high98.2Very high2 Ų242.4 Ų42.41%0.0123%0.228CC..Hα-helixtrans-69.9-35.7180-162.272.1000111.7Y48 A54 R55 R56 L92 I95 Y127 Y130Y48-I52 WeakPolarHBondContact O-CB 3.48Å; Y48-I52 VanDerWaalsContact O-CG2 3.24Å; Y48-I52 WeakPolarHBondContact O-CG2 3.3Å; Y48-I52 PolarHBondContact O-N 3.21Å; I52-A54 PolarHBondContact O-N 3.09Å; I52-R55 PolarHBondContact O-N 3.39Å; I52-R56 HydrophobicContact CG1-CG 4.16Å; I52-R56 WeakPolarHBondContact O-CB 3.09Å; I52-R56 WeakPolarHBondContact O-CG 3.4Å; I52-R56 PolarHBondContact O-N 3.34Å; I52-L92 HydrophobicContact CD1-CD2 3.53Å; I52-L92 HydrophobicContact CG1-CD2 4.23Å; I52-I95 HydrophobicContact CB-CG2 4.06Å; I52-I95 HydrophobicContact CD1-CB 3.84Å; I52-I95 HydrophobicContact CD1-CD1 4.38Å; I52-I95 HydrophobicContact CD1-CG2 3.59Å; I52-I95 HydrophobicContact CG1-CG2 4.38Å; I52-Y127 HydrophobicContact CB-CE1 3.93Å; I52-Y127 HydrophobicContact CD1-CE1 4.3Å; I52-Y127 HydrophobicContact CG1-CD1 4.48Å; I52-Y127 HydrophobicContact CG1-CE1 3.92Å; I52-Y127 HydrophobicContact CG2-CE1 3.93Å; I52-Y130 HydrophobicContact CG1-CD2 3.87Å; I52-Y130 HydrophobicContact CG1-CE2 4.32Å; I52-Y130 HydrophobicContact CG2-CD2 4.44Å; I52-Y130 HydrophobicContact CG2-CE2 4.08Å
53G98Very high98.3Very high29 Ų2939.7 Ų39.730%0.29921%0.214SC..Hα-helixtrans-60.1-47.6-179.800000112.2K49 N50 R55 R56 A57K49-G53 WeakPolarHBondContact O-CA 3.33Å; K49-G53 PolarHBondContact O-N 3.34Å; N50-G53 PolarHBondContact O-N 3.19Å; G53-R55 PolarHBondContact O-N 2.83Å; G53-R56 PolarHBondContact O-N 2.98Å; G53-A57 WeakPolarHBondContact O-CB 3.36Å; G53-A57 PolarHBondContact O-N 3.21Å
54A97.6Very high98.2Very high39 Ų3941.3 Ų41.332%0.32223%0.226SC..Hα-helixtrans-64.8-39.3178.600000112.6N50 I52 S58N50-A54 PolarHBondContact O-N 2.9Å; N50-A54 VanDerWaalsContact O-N 3.09Å; I52-A54 PolarHBondContact O-N 3.09Å; A54-S58 PolarHBondContact O-N 3.31Å; A54-S58 VanDerWaalsContact O-N 3.08Å; A54-S58 PolarHBondContact O-OG 3.31Å
55R98.2Very high98.2Very high63 Ų6345 Ų4524%0.23825%0.245CC..Hα-helixtrans-69-40.7175.3-96.338.871.3-16516.1112.5E20 V51 I52 G53 A57 S58 W59 E91 L92 I95E20-R55 IonicContact OE1-CZ 3.98Å; E20-R55 IonicContact OE1-NH2 2.72Å; E20-R55 PolarHBondContact OE1-NH2 2.88Å; V51-R55 PolarHBondContact O-N 3.18Å; V51-R55 PolarHBondContact O-NE 3.04Å; I52-R55 PolarHBondContact O-N 3.39Å; G53-R55 PolarHBondContact O-N 2.83Å; R55-A57 PolarHBondContact O-N 3.17Å; R55-S58 WeakPolarHBondContact O-CB 3.46Å; R55-S58 PolarHBondContact O-N 3.45Å; R55-W59 PolarHBondContact O-N 2.97Å; R55-E91 HydrophobicContact CG-CB 4.37Å; R55-L92 HydrophobicContact CB-CD2 3.64Å; R55-L92 HydrophobicContact CB-CG 4.11Å; R55-I95 HydrophobicContact CB-CD1 4.1Å; R55-I95 HydrophobicContact CG-CD1 3.8Å
56R98.1Very high98.2Very high32 Ų3244.3 Ų44.312%0.12124%0.239CC..Hα-helixtrans-65.3-38174.9-74.2178.766.2-128.914.7112.1I52 G53 W59 R60 L92 Y130 E133I52-R56 HydrophobicContact CG1-CG 4.16Å; I52-R56 WeakPolarHBondContact O-CB 3.09Å; I52-R56 WeakPolarHBondContact O-CG 3.4Å; I52-R56 PolarHBondContact O-N 3.34Å; G53-R56 PolarHBondContact O-N 2.98Å; R56-W59 PolarHBondContact O-N 3.44Å; R56-R60 WeakPolarHBondContact O-CG 3.26Å; R56-R60 PolarHBondContact O-N 3.37Å; R56-L92 HydrophobicContact CB-CD2 4.4Å; R56-L92 HydrophobicContact CG-CD2 3.52Å; R56-Y130 VanDerWaalsContact CZ-CE1 3.46Å; R56-E133 IonicContact CZ-OE1 3.95Å; R56-E133 IonicContact CZ-OE2 3.36Å; R56-E133 IonicContact NE-OE1 3.73Å; R56-E133 IonicContact NE-OE2 2.97Å; R56-E133 PolarHBondContact NE-OE2 3.23Å; R56-E133 IonicContact NH2-OE1 3.45Å; R56-E133 PolarHBondContact NH2-OE1 2.86Å; R56-E133 IonicContact NH2-OE2 3.57Å; R56-E133 PolarHBondContact NH2-OE2 3.22Å
57A98.3Very high98.1Very high46 Ų4648.4 Ų48.438%0.3826%0.255SS..Hα-helixtrans-61.9-44.8173.500000111.3G53 R55 W59 R60 I61G53-A57 WeakPolarHBondContact O-CB 3.36Å; G53-A57 PolarHBondContact O-N 3.21Å; R55-A57 PolarHBondContact O-N 3.17Å; A57-W59 PolarHBondContact O-N 3.47Å; A57-R60 PolarHBondContact O-N 2.87Å; A57-I61 WeakPolarHBondContact O-CG1 3.48Å; A57-I61 PolarHBondContact O-N 3.28Å; A57-I61 VanDerWaalsContact O-N 3.09Å
58S98.3Very high98Very high45 Ų4554.2 Ų54.232%0.31528%0.28SS..Hα-helixtrans-58.5-48.2175.8-56.80000111.3A54 R55 R60 I61 I62A54-S58 PolarHBondContact O-N 3.31Å; A54-S58 VanDerWaalsContact O-N 3.08Å; A54-S58 PolarHBondContact O-OG 3.31Å; R55-S58 WeakPolarHBondContact O-CB 3.46Å; R55-S58 PolarHBondContact O-N 3.45Å; S58-R60 PolarHBondContact O-N 3.27Å; S58-I61 PolarHBondContact O-N 3.02Å; S58-I62 WeakPolarHBondContact O-CD1 3.12Å; S58-I62 WeakPolarHBondContact O-CG1 3.46Å; S58-I62 PolarHBondContact O-N 3.4Å
59W98.5Very high98Very high35 Ų3555.5 Ų55.513%0.13329%0.286CS..Hα-helixtrans-60.3-42.9178.4176.880.6000113.3R55 R56 A57 I62 S63 V88 E89 L92 E133 F134R55-W59 PolarHBondContact O-N 2.97Å; R56-W59 PolarHBondContact O-N 3.44Å; A57-W59 PolarHBondContact O-N 3.47Å; W59-I62 PolarHBondContact O-N 2.83Å; W59-S63 WeakPolarHBondContact O-CB 3.4Å; W59-S63 PolarHBondContact O-N 3.45Å; W59-S63 PolarHBondContact O-OG 3.34Å; W59-V88 HydrophobicContact CB-CG1 3.87Å; W59-E89 PolarHBondContact NE1-OE1 3.19Å; W59-L92 HydrophobicContact CB-CD1 3.7Å; W59-L92 HydrophobicContact CG-CD1 3.92Å; W59-E133 HydrophobicContact CH2-CB 4.5Å; W59-F134 HydrophobicContact CD2-CB 4.34Å; W59-F134 VanDerWaalsContact CE2-CB 3.48Å; W59-F134 HydrophobicContact CH2-CB 4.08Å; W59-F134 HydrophobicContact CZ2-CB 3.35Å
60R98.1Very high97.9Very high104 Ų10452.6 Ų52.639%0.39227%0.274SS..Hα-helixtrans-61.4-45.2176.1-74.7-175.5179.186.19.1112.3R56 A57 S58 S63 S64 E133R56-R60 WeakPolarHBondContact O-CG 3.26Å; R56-R60 PolarHBondContact O-N 3.37Å; A57-R60 PolarHBondContact O-N 2.87Å; S58-R60 PolarHBondContact O-N 3.27Å; R60-S63 PolarHBondContact O-N 2.98Å; R60-S64 PolarHBondContact O-N 2.56Å; R60-E133 IonicContact NH2-OE2 2.81Å; R60-E133 PolarHBondContact NH2-OE2 3.14Å
61I98.4Very high97.8Very high106 Ų10654.7 Ų54.754%0.54429%0.294SS..Hα-helixtrans-62.1-47.7178.5-68.8167.1000110A57 S58 S63 S64 I65A57-I61 WeakPolarHBondContact O-CG1 3.48Å; A57-I61 PolarHBondContact O-N 3.28Å; A57-I61 VanDerWaalsContact O-N 3.09Å; S58-I61 PolarHBondContact O-N 3.02Å; I61-S63 VanDerWaalsContact C-N 3.33Å; I61-S63 PolarHBondContact O-N 3.45Å; I61-S64 WeakPolarHBondContact O-CB 3.46Å; I61-S64 PolarHBondContact O-N 2.63Å; I61-S64 VanDerWaalsContact O-N 3.17Å; I61-I65 HydrophobicContact CG2-CD1 3.78Å; I61-I65 HydrophobicContact CG2-CG1 4.44Å; I61-I65 WeakPolarHBondContact O-CG1 2.96Å; I61-I65 PolarHBondContact O-N 3.31Å
62I98.4Very high97.7Very high13 Ų1360.4 Ų60.47%0.06732%0.318CS..Hα-helixtrans-61.5-43.3179.5-65.9161.6000110.7S58 W59 S64 I65 E66 I81 Y84 K85 V88S58-I62 WeakPolarHBondContact O-CD1 3.12Å; S58-I62 WeakPolarHBondContact O-CG1 3.46Å; S58-I62 PolarHBondContact O-N 3.4Å; W59-I62 PolarHBondContact O-N 2.83Å; I62-S64 VanDerWaalsContact C-N 3.31Å; I62-S64 PolarHBondContact O-N 3.06Å; I62-I65 PolarHBondContact O-N 3.13Å; I62-I65 VanDerWaalsContact O-N 3.17Å; I62-E66 WeakPolarHBondContact O-CB 3.31Å; I62-E66 PolarHBondContact O-N 3.05Å; I62-I81 HydrophobicContact CG2-CG2 3.93Å; I62-Y84 HydrophobicContact CD1-CD1 3.57Å; I62-Y84 HydrophobicContact CD1-CE1 3.43Å; I62-Y84 VanDerWaalsContact CD1-CE1 3.43Å; I62-Y84 HydrophobicContact CG1-CD1 4.04Å; I62-Y84 HydrophobicContact CG1-CE1 4.04Å; I62-K85 HydrophobicContact CG2-CB 3.71Å; I62-K85 HydrophobicContact CG2-CG 4.17Å; I62-V88 HydrophobicContact CD1-CB 4.27Å; I62-V88 HydrophobicContact CD1-CG2 3.58Å
63S97.7Very high97.6Very high15 Ų1563 Ų6311%0.10535%0.345CS..Hα-helixtrans-61.7-37.5176.3-59.50000112.3W59 R60 I61 E66 Q67 K85W59-S63 WeakPolarHBondContact O-CB 3.4Å; W59-S63 PolarHBondContact O-N 3.45Å; W59-S63 PolarHBondContact O-OG 3.34Å; R60-S63 PolarHBondContact O-N 2.98Å; I61-S63 VanDerWaalsContact C-N 3.33Å; I61-S63 PolarHBondContact O-N 3.45Å; S63-E66 WeakPolarHBondContact O-CB 3.46Å; S63-Q67 WeakPolarHBondContact O-CG 3.39Å; S63-Q67 PolarHBondContact O-N 3.25Å; S63-K85 VanDerWaalsContact OG-CE 3.28Å; S63-K85 WeakPolarHBondContact OG-CE 3.47Å
64S97.9Very high97.4Very high45 Ų4564.5 Ų64.532%0.31535%0.346SS..Hα-helixtrans-68.7-38.4173.9-175.10000112.6R60 I61 I62 K68R60-S64 PolarHBondContact O-N 2.56Å; I61-S64 WeakPolarHBondContact O-CB 3.46Å; I61-S64 PolarHBondContact O-N 2.63Å; I61-S64 VanDerWaalsContact O-N 3.17Å; I62-S64 VanDerWaalsContact C-N 3.31Å; I62-S64 PolarHBondContact O-N 3.06Å; S64-K68 VanDerWaalsContact O-CG 3.31Å; S64-K68 WeakPolarHBondContact O-CG 3.44Å; S64-K68 PolarHBondContact O-N 2.88Å; S64-K68 VanDerWaalsContact O-N 3.14Å
65I98Very high97.3Very high76 Ų7670.3 Ų70.339%0.3937%0.367SS..Hα-helixtrans-66.3-41.4176-66.1166.5000110.4I61 I62 K68 E69 I81I61-I65 HydrophobicContact CG2-CD1 3.78Å; I61-I65 HydrophobicContact CG2-CG1 4.44Å; I61-I65 WeakPolarHBondContact O-CG1 2.96Å; I61-I65 PolarHBondContact O-N 3.31Å; I62-I65 PolarHBondContact O-N 3.13Å; I62-I65 VanDerWaalsContact O-N 3.17Å; I65-K68 PolarHBondContact O-N 2.96Å; I65-E69 HydrophobicContact CG2-CG 4.39Å; I65-E69 PolarHBondContact O-N 3Å; I65-I81 HydrophobicContact CG2-CD1 3.82Å; I65-I81 HydrophobicContact CG2-CG1 4.4Å
66E97.6Very high97.2Very high20 Ų2073.7 Ų73.79%0.09339%0.39CS..Hα-helixtrans-53.4-55.9174.4-173.2-176-171.700110.8I62 S63 K68 E69 E70 I81 K82 K85I62-E66 WeakPolarHBondContact O-CB 3.31Å; I62-E66 PolarHBondContact O-N 3.05Å; S63-E66 WeakPolarHBondContact O-CB 3.46Å; E66-K68 VanDerWaalsContact C-N 3.27Å; E66-K68 PolarHBondContact O-N 3.42Å; E66-E69 PolarHBondContact O-N 3.41Å; E66-E69 VanDerWaalsContact O-N 3.11Å; E66-E70 WeakPolarHBondContact O-CG 3.24Å; E66-E70 PolarHBondContact O-N 3.36Å; E66-I81 HydrophobicContact CB-CG2 3.62Å; E66-I81 HydrophobicContact CG-CG2 4.13Å; E66-K82 HydrophobicContact CG-CG 4.5Å; E66-K82 WeakPolarHBondContact OE1-CE 3.35Å; E66-K82 WeakPolarHBondContact OE1-CG 3.5Å; E66-K82 IonicContact OE1-NZ 3.98Å; E66-K85 WeakPolarHBondContact OE2-CD 3.35Å; E66-K85 IonicContact OE2-NZ 2.71Å; E66-K85 PolarHBondContact OE2-NZ 3.27Å
67Q96.8Very high97.1Very high131 Ų13176.9 Ų76.961%0.61241%0.406SS*.Hα-helixtrans-57.4-38.9178.9-70.8173.7-5.900112.7S63 S71S63-Q67 WeakPolarHBondContact O-CG 3.39Å; S63-Q67 PolarHBondContact O-N 3.25Å; Q67-S71 PolarHBondContact O-N 3.03Å; Q67-S71 VanDerWaalsContact O-N 3.1Å; Q67-S71 PolarHBondContact O-OG 3.47Å
68K97.2Very high97.1Very high122 Ų12275.4 Ų75.453%0.5339%0.392SS..Hα-helixtrans-70.7-31.8178.2-73.9174.1-175.5175.10113.6S64 I65 E66 S71 K72S64-K68 VanDerWaalsContact O-CG 3.31Å; S64-K68 WeakPolarHBondContact O-CG 3.44Å; S64-K68 PolarHBondContact O-N 2.88Å; S64-K68 VanDerWaalsContact O-N 3.14Å; I65-K68 PolarHBondContact O-N 2.96Å; E66-K68 VanDerWaalsContact C-N 3.27Å; E66-K68 PolarHBondContact O-N 3.42Å; K68-S71 PolarHBondContact O-OG 3.29Å; K68-K72 WeakPolarHBondContact O-CG 3.49Å
69E97.5Very high97.1Very high27 Ų2779.5 Ų79.513%0.12640%0.404CS..Hα-helixtrans-83.2-31.2176.7-69.8-62.2120.600111.6I65 E66 K72 G73 N74 H77 V78 I81I65-E69 HydrophobicContact CG2-CG 4.39Å; I65-E69 PolarHBondContact O-N 3Å; E66-E69 PolarHBondContact O-N 3.41Å; E66-E69 VanDerWaalsContact O-N 3.11Å; E69-K72 PolarHBondContact O-N 3.34Å; E69-K72 IonicContact OE1-NZ 2.74Å; E69-K72 PolarHBondContact OE1-NZ 2.87Å; E69-G73 PolarHBondContact O-N 3.44Å; E69-N74 PolarHBondContact O-N 3.37Å; E69-N74 VanDerWaalsContact O-N 3.16Å; E69-N74 WeakPolarHBondContact OE2-CB 3.24Å; E69-N74 PolarHBondContact OE2-ND2 3.33Å; E69-H77 HydrophobicContact CB-CB 4.49Å; E69-H77 HydrophobicContact CG-CB 4.39Å; E69-H77 IonicContact OE2-CG 3.77Å; E69-H77 IonicContact OE2-ND1 3.02Å; E69-H77 PolarHBondContact OE2-ND1 3.24Å; E69-V78 HydrophobicContact CB-CG2 3.93Å; E69-I81 HydrophobicContact CB-CD1 3.87Å; E69-I81 HydrophobicContact CG-CD1 3.63Å
70E96.6Very high97Very high86 Ų8684.6 Ų84.640%0.40243%0.427SS..Hα-helixtrans-60.9-44.3170.2-75.6-176.7155.500111.2E66 K72 G73 V78 K82E66-E70 WeakPolarHBondContact O-CG 3.24Å; E66-E70 PolarHBondContact O-N 3.36Å; E70-K72 PolarHBondContact O-N 2.86Å; E70-G73 PolarHBondContact O-N 3.5Å; E70-V78 HydrophobicContact CB-CG2 4.31Å; E70-V78 HydrophobicContact CG-CB 4.29Å; E70-V78 HydrophobicContact CG-CG1 3.65Å; E70-V78 HydrophobicContact CG-CG2 3.57Å; E70-K82 VanDerWaalsContact OE1-CE 3.28Å; E70-K82 WeakPolarHBondContact OE1-CE 3.43Å; E70-K82 IonicContact OE1-NZ 2.75Å; E70-K82 PolarHBondContact OE1-NZ 2.93Å
71S96.7Very high97.1Very high103 Ų10380.9 Ų80.972%0.7242%0.415SS*.THydrogen-bonded Turntrans-66.9-17.5177.967.70000114.4Q67 K68Q67-S71 PolarHBondContact O-N 3.03Å; Q67-S71 VanDerWaalsContact O-N 3.1Å; Q67-S71 PolarHBondContact O-OG 3.47Å; K68-S71 PolarHBondContact O-OG 3.29Å
72K96.3Very high97Very high130 Ų13080.3 Ų80.357%0.56541%0.408SS*.THydrogen-bonded Turntrans-89.7-7.6173.3-65.8172.5-167.1169.60113.5K68 E69 E70 N74K68-K72 WeakPolarHBondContact O-CG 3.49Å; E69-K72 PolarHBondContact O-N 3.34Å; E69-K72 IonicContact OE1-NZ 2.74Å; E69-K72 PolarHBondContact OE1-NZ 2.87Å; E70-K72 PolarHBondContact O-N 2.86Å; K72-N74 VanDerWaalsContact C-N 3.28Å; K72-N74 PolarHBondContact O-N 3.37Å
73G94.6Very high97Very high56 Ų5685.2 Ų85.258%0.57743%0.431SS*.THydrogen-bonded Turntrans70.720.6-173.500000114.1E69 E70 E75E69-G73 PolarHBondContact O-N 3.44Å; E70-G73 PolarHBondContact O-N 3.5Å; G73-E75 VanDerWaalsContact C-N 3.28Å; G73-E75 PolarHBondContact O-N 2.9Å
74N94.3Very high97.1Very high61 Ų6190.7 Ų90.733%0.32645%0.45SS..  trans-81.666.4-177.4-73.3-22.5000111.8E69 K72 N76 H77 V78E69-N74 PolarHBondContact O-N 3.37Å; E69-N74 VanDerWaalsContact O-N 3.16Å; E69-N74 WeakPolarHBondContact OE2-CB 3.24Å; E69-N74 PolarHBondContact OE2-ND2 3.33Å; K72-N74 VanDerWaalsContact C-N 3.28Å; K72-N74 PolarHBondContact O-N 3.37Å; N74-N76 VanDerWaalsContact C-N 3.27Å; N74-N76 PolarHBondContact O-N 2.95Å; N74-N76 VanDerWaalsContact O-N 3.11Å; N74-H77 HydrophobicContact CB-CB 4.09Å; N74-H77 PolarHBondContact O-N 2.95Å; N74-V78 WeakPolarHBondContact O-CG2 3.29Å; N74-V78 PolarHBondContact O-N 3.47Å
75E95.1Very high97.1Very high161 Ų16190.2 Ų90.275%0.75244%0.442SS*.Hα-helixtrans-51.3-41.4-172.1-64.4-175.6174.300114.1G73 H77 V78 K79G73-E75 VanDerWaalsContact C-N 3.28Å; G73-E75 PolarHBondContact O-N 2.9Å; E75-H77 PolarHBondContact O-N 2.69Å; E75-V78 PolarHBondContact O-N 3.28Å; E75-K79 PolarHBondContact O-N 2.91Å
76N96Very high97.1Very high134 Ų13490.4 Ų90.472%0.71745%0.449SS*.Hα-helixtrans-64.7-36.8178.5-75.6-33.5000113N74 K80N74-N76 VanDerWaalsContact C-N 3.27Å; N74-N76 PolarHBondContact O-N 2.95Å; N74-N76 VanDerWaalsContact O-N 3.11Å; N76-K80 PolarHBondContact O-N 3.45Å
77H97.1Very high97.1Very high99 Ų9995.2 Ų95.246%0.45847%0.47SS..Hα-helixtrans-72.7-44.8174.9-69.9175.7000110.5E69 N74 E75 K79 K80 I81E69-H77 HydrophobicContact CB-CB 4.49Å; E69-H77 HydrophobicContact CG-CB 4.39Å; E69-H77 IonicContact OE2-CG 3.77Å; E69-H77 IonicContact OE2-ND1 3.02Å; E69-H77 PolarHBondContact OE2-ND1 3.24Å; N74-H77 HydrophobicContact CB-CB 4.09Å; N74-H77 PolarHBondContact O-N 2.95Å; E75-H77 PolarHBondContact O-N 2.69Å; H77-K79 VanDerWaalsContact C-N 3.25Å; H77-K79 PolarHBondContact O-N 3.32Å; H77-K80 PolarHBondContact O-N 3.14Å; H77-K80 VanDerWaalsContact O-N 3.09Å; H77-I81 HydrophobicContact CB-CD1 4.35Å; H77-I81 WeakPolarHBondContact O-CD1 3.49Å; H77-I81 VanDerWaalsContact O-CG1 3.26Å; H77-I81 WeakPolarHBondContact O-CG1 3.28Å; H77-I81 PolarHBondContact O-N 2.93Å
78V97.9Very high97.2Very high14 Ų1489 Ų899%0.08544%0.441CS..Hα-helixtrans-54.8-43.6177.8173.60000110.8E69 E70 N74 E75 K80 I81 K82E69-V78 HydrophobicContact CB-CG2 3.93Å; E70-V78 HydrophobicContact CB-CG2 4.31Å; E70-V78 HydrophobicContact CG-CB 4.29Å; E70-V78 HydrophobicContact CG-CG1 3.65Å; E70-V78 HydrophobicContact CG-CG2 3.57Å; N74-V78 WeakPolarHBondContact O-CG2 3.29Å; N74-V78 PolarHBondContact O-N 3.47Å; E75-V78 PolarHBondContact O-N 3.28Å; V78-K80 PolarHBondContact O-N 3.29Å; V78-I81 PolarHBondContact O-N 2.88Å; V78-K82 HydrophobicContact CG1-CD 3.99Å; V78-K82 HydrophobicContact CG1-CG 4.46Å; V78-K82 WeakPolarHBondContact O-CB 3.48Å; V78-K82 WeakPolarHBondContact O-CG 3.37Å; V78-K82 PolarHBondContact O-N 3.36Å
79K97.9Very high97.2Very high131 Ų13185.3 Ų85.357%0.5743%0.426SS*.Hα-helixtrans-58.8-49176.2-173.5179.2176.9-177.80112.5E75 H77 I81 K82 E83E75-K79 PolarHBondContact O-N 2.91Å; H77-K79 VanDerWaalsContact C-N 3.25Å; H77-K79 PolarHBondContact O-N 3.32Å; K79-I81 VanDerWaalsContact C-N 3.31Å; K79-I81 PolarHBondContact O-N 3.46Å; K79-K82 PolarHBondContact O-N 3.37Å; K79-E83 VanDerWaalsContact CE-OE1 3.32Å; K79-E83 WeakPolarHBondContact CE-OE1 3.41Å; K79-E83 WeakPolarHBondContact O-CG 3.31Å; K79-E83 PolarHBondContact O-N 2.88Å
80K98Very high97.3Very high143 Ų14390.5 Ų90.562%0.62245%0.448SS*.Hα-helixtrans-63.2-37.7177.8-68.4179.7-179.1-178.60112.1N76 H77 V78 E83 Y84N76-K80 PolarHBondContact O-N 3.45Å; H77-K80 PolarHBondContact O-N 3.14Å; H77-K80 VanDerWaalsContact O-N 3.09Å; V78-K80 PolarHBondContact O-N 3.29Å; K80-E83 PolarHBondContact O-N 3.48Å; K80-Y84 PolarHBondContact O-N 3.42Å
81I98.4Very high97.4Very high26 Ų2689.7 Ų89.713%0.13344%0.444CS..Hα-helixtrans-65.9-44.2177.4-67.8159.5000110.3I62 I65 E66 E69 H77 V78 K79 E83 Y84 K85I62-I81 HydrophobicContact CG2-CG2 3.93Å; I65-I81 HydrophobicContact CG2-CD1 3.82Å; I65-I81 HydrophobicContact CG2-CG1 4.4Å; E66-I81 HydrophobicContact CB-CG2 3.62Å; E66-I81 HydrophobicContact CG-CG2 4.13Å; E69-I81 HydrophobicContact CB-CD1 3.87Å; E69-I81 HydrophobicContact CG-CD1 3.63Å; H77-I81 HydrophobicContact CB-CD1 4.35Å; H77-I81 WeakPolarHBondContact O-CD1 3.49Å; H77-I81 VanDerWaalsContact O-CG1 3.26Å; H77-I81 WeakPolarHBondContact O-CG1 3.28Å; H77-I81 PolarHBondContact O-N 2.93Å; V78-I81 PolarHBondContact O-N 2.88Å; K79-I81 VanDerWaalsContact C-N 3.31Å; K79-I81 PolarHBondContact O-N 3.46Å; I81-E83 PolarHBondContact O-N 3Å; I81-Y84 PolarHBondContact O-N 3.34Å; I81-K85 VanDerWaalsContact O-CB 3.3Å; I81-K85 WeakPolarHBondContact O-CB 3.49Å; I81-K85 PolarHBondContact O-N 3.41Å
82K98Very high97.5Very high93 Ų9384.8 Ų84.840%0.40441%0.41SS..Hα-helixtrans-60.4-43.6175.7-77.5176177.7169.70112.3E66 E70 V78 K79 Y84 K85 C86E66-K82 HydrophobicContact CG-CG 4.5Å; E66-K82 WeakPolarHBondContact OE1-CE 3.35Å; E66-K82 WeakPolarHBondContact OE1-CG 3.5Å; E66-K82 IonicContact OE1-NZ 3.98Å; E70-K82 VanDerWaalsContact OE1-CE 3.28Å; E70-K82 WeakPolarHBondContact OE1-CE 3.43Å; E70-K82 IonicContact OE1-NZ 2.75Å; E70-K82 PolarHBondContact OE1-NZ 2.93Å; V78-K82 HydrophobicContact CG1-CD 3.99Å; V78-K82 HydrophobicContact CG1-CG 4.46Å; V78-K82 WeakPolarHBondContact O-CB 3.48Å; V78-K82 WeakPolarHBondContact O-CG 3.37Å; V78-K82 PolarHBondContact O-N 3.36Å; K79-K82 PolarHBondContact O-N 3.37Å; K82-Y84 PolarHBondContact O-N 3.04Å; K82-K85 PolarHBondContact O-N 2.85Å; K82-C86 WeakPolarHBondContact O-CB 3.5Å; K82-C86 PolarHBondContact O-N 3.13Å
83E98Very high97.6Very high116 Ų11680.7 Ų80.754%0.54240%0.396SS..Hα-helixtrans-60.1-45174.7-72.1170.1-169.600111.6K79 K80 I81 C86 K87K79-E83 VanDerWaalsContact CE-OE1 3.32Å; K79-E83 WeakPolarHBondContact CE-OE1 3.41Å; K79-E83 WeakPolarHBondContact O-CG 3.31Å; K79-E83 PolarHBondContact O-N 2.88Å; K80-E83 PolarHBondContact O-N 3.48Å; I81-E83 PolarHBondContact O-N 3Å; E83-C86 PolarHBondContact O-N 3.23Å; E83-K87 PolarHBondContact O-N 2.95Å
84Y98.2Very high97.8Very high130 Ų13082.2 Ų82.251%0.5139%0.391SS..Hα-helixtrans-68.9-39.3178-171.5-122.4000112.8I62 K80 I81 K82 C86 K87 V88I62-Y84 HydrophobicContact CD1-CD1 3.57Å; I62-Y84 HydrophobicContact CD1-CE1 3.43Å; I62-Y84 VanDerWaalsContact CD1-CE1 3.43Å; I62-Y84 HydrophobicContact CG1-CD1 4.04Å; I62-Y84 HydrophobicContact CG1-CE1 4.04Å; K80-Y84 PolarHBondContact O-N 3.42Å; I81-Y84 PolarHBondContact O-N 3.34Å; K82-Y84 PolarHBondContact O-N 3.04Å; Y84-C86 VanDerWaalsContact C-N 3.34Å; Y84-C86 PolarHBondContact O-N 3.47Å; Y84-K87 WeakPolarHBondContact O-CB 3.39Å; Y84-K87 PolarHBondContact O-N 3.37Å; Y84-V88 HydrophobicContact CE1-CG2 4.49Å; Y84-V88 PolarHBondContact O-N 2.87Å; Y84-V88 VanDerWaalsContact O-N 3.15Å
85K98.2Very high98Very high36 Ų3680.6 Ų80.616%0.15738%0.382CS..Hα-helixtrans-58.5-45.7174.2-174.3179.8176.5-1790111.2I62 S63 E66 I81 K82 K87 V88 E89I62-K85 HydrophobicContact CG2-CB 3.71Å; I62-K85 HydrophobicContact CG2-CG 4.17Å; S63-K85 VanDerWaalsContact OG-CE 3.28Å; S63-K85 WeakPolarHBondContact OG-CE 3.47Å; E66-K85 WeakPolarHBondContact OE2-CD 3.35Å; E66-K85 IonicContact OE2-NZ 2.71Å; E66-K85 PolarHBondContact OE2-NZ 3.27Å; I81-K85 VanDerWaalsContact O-CB 3.3Å; I81-K85 WeakPolarHBondContact O-CB 3.49Å; I81-K85 PolarHBondContact O-N 3.41Å; K82-K85 PolarHBondContact O-N 2.85Å; K85-K87 VanDerWaalsContact C-N 3.27Å; K85-K87 PolarHBondContact O-N 2.95Å; K85-V88 PolarHBondContact O-N 3.06Å; K85-V88 VanDerWaalsContact O-N 3.07Å; K85-E89 WeakPolarHBondContact CE-OE1 3.35Å; K85-E89 HydrophobicContact CG-CG 4.41Å; K85-E89 WeakPolarHBondContact O-CG 3.49Å; K85-E89 PolarHBondContact O-N 3.1Å
86C97.9Very high98.1Very high79 Ų7972.9 Ų72.953%0.53435%0.346SS..Hα-helixtrans-59.6-37.4177.1-1760000112.3K82 E83 Y84 E89 K90K82-C86 WeakPolarHBondContact O-CB 3.5Å; K82-C86 PolarHBondContact O-N 3.13Å; E83-C86 PolarHBondContact O-N 3.23Å; Y84-C86 VanDerWaalsContact C-N 3.34Å; Y84-C86 PolarHBondContact O-N 3.47Å; C86-E89 PolarHBondContact O-N 3.43Å; C86-K90 PolarHBondContact O-N 2.83Å
87K98.4Very high98.3Very high121 Ų12170.2 Ų70.253%0.52633%0.332SS..Hα-helixtrans-61.5-46.7172.8-177.8-175.9172.5-1720111.7E83 Y84 K85 K90 E91E83-K87 PolarHBondContact O-N 2.95Å; Y84-K87 WeakPolarHBondContact O-CB 3.39Å; Y84-K87 PolarHBondContact O-N 3.37Å; K85-K87 VanDerWaalsContact C-N 3.27Å; K85-K87 PolarHBondContact O-N 2.95Å; K87-K90 WeakPolarHBondContact O-CB 3.46Å; K87-K90 PolarHBondContact O-N 3.42Å; K87-E91 WeakPolarHBondContact CE-OE1 3.48Å; K87-E91 WeakPolarHBondContact O-CG 3.36Å; K87-E91 PolarHBondContact O-N 3.4Å
88V98.5Very high98.3Very high2 Ų267.7 Ų67.71%0.01232%0.321CS..Hα-helixtrans-67-37.5178.9177.10000111.8W59 I62 Y84 K85 K90 E91 L92W59-V88 HydrophobicContact CB-CG1 3.87Å; I62-V88 HydrophobicContact CD1-CB 4.27Å; I62-V88 HydrophobicContact CD1-CG2 3.58Å; Y84-V88 HydrophobicContact CE1-CG2 4.49Å; Y84-V88 PolarHBondContact O-N 2.87Å; Y84-V88 VanDerWaalsContact O-N 3.15Å; K85-V88 PolarHBondContact O-N 3.06Å; K85-V88 VanDerWaalsContact O-N 3.07Å; V88-K90 VanDerWaalsContact C-N 3.32Å; V88-K90 PolarHBondContact O-N 2.88Å; V88-E91 PolarHBondContact O-N 2.9Å; V88-L92 HydrophobicContact CG1-CD1 4.41Å; V88-L92 WeakPolarHBondContact O-CG 3.26Å; V88-L92 PolarHBondContact O-N 2.91Å
89E98.5Very high98.4Very high43 Ų4367 Ų6720%0.20132%0.317CS..Hα-helixtrans-62.5-40.1173.8-72.7172.3170.800111.5W59 K85 C86 L92 T93 F134W59-E89 PolarHBondContact NE1-OE1 3.19Å; K85-E89 WeakPolarHBondContact CE-OE1 3.35Å; K85-E89 HydrophobicContact CG-CG 4.41Å; K85-E89 WeakPolarHBondContact O-CG 3.49Å; K85-E89 PolarHBondContact O-N 3.1Å; C86-E89 PolarHBondContact O-N 3.43Å; E89-L92 WeakPolarHBondContact O-CB 3.45Å; E89-L92 PolarHBondContact O-N 3.27Å; E89-T93 WeakPolarHBondContact O-CB 3.2Å; E89-T93 PolarHBondContact O-N 3.43Å; E89-T93 PolarHBondContact O-OG1 3.32Å; E89-T93 VanDerWaalsContact O-OG1 3.09Å; E89-F134 HydrophobicContact CB-CD2 3.85Å; E89-F134 HydrophobicContact CB-CE2 4.03Å; E89-F134 HydrophobicContact CG-CB 4.23Å; E89-F134 HydrophobicContact CG-CD2 3.75Å; E89-F134 HydrophobicContact CG-CE2 4.4Å; E89-F134 HydrophobicContact CG-CG 4.18Å
90K98.5Very high98.4Very high137 Ų13761.6 Ų61.660%0.59629%0.294SS*.Hα-helixtrans-61.4-47.4172.7-176.6-179.3176-176.70111.7C86 K87 V88 L92 T93 D94C86-K90 PolarHBondContact O-N 2.83Å; K87-K90 WeakPolarHBondContact O-CB 3.46Å; K87-K90 PolarHBondContact O-N 3.42Å; V88-K90 VanDerWaalsContact C-N 3.32Å; V88-K90 PolarHBondContact O-N 2.88Å; K90-L92 VanDerWaalsContact C-N 3.3Å; K90-L92 PolarHBondContact O-N 3.49Å; K90-T93 WeakPolarHBondContact O-CB 3.4Å; K90-T93 PolarHBondContact O-N 3.47Å; K90-T93 VanDerWaalsContact O-N 3.17Å; K90-D94 VanDerWaalsContact O-CG 3.23Å; K90-D94 PolarHBondContact O-N 3.4Å
91E98.5Very high98.5Very high69 Ų6960.8 Ų60.832%0.32229%0.293SS..Hα-helixtrans-58.6-42.1176.3-68.8168.1-17000111.5R55 K87 V88 D94 I95R55-E91 HydrophobicContact CG-CB 4.37Å; K87-E91 WeakPolarHBondContact CE-OE1 3.48Å; K87-E91 WeakPolarHBondContact O-CG 3.36Å; K87-E91 PolarHBondContact O-N 3.4Å; V88-E91 PolarHBondContact O-N 2.9Å; E91-D94 PolarHBondContact O-N 2.87Å; E91-I95 WeakPolarHBondContact O-CD1 3.49Å; E91-I95 VanDerWaalsContact O-CG1 3.23Å; E91-I95 WeakPolarHBondContact O-CG1 3.44Å; E91-I95 PolarHBondContact O-N 2.97Å
92L98.5Very high98.5Very high0 Ų059.8 Ų59.80%029%0.288CS..Hα-helixtrans-61.1-45.9173.8-79.9170.4000112.2I52 R55 R56 W59 V88 E89 K90 D94 I95 C96 F134I52-L92 HydrophobicContact CD1-CD2 3.53Å; I52-L92 HydrophobicContact CG1-CD2 4.23Å; R55-L92 HydrophobicContact CB-CD2 3.64Å; R55-L92 HydrophobicContact CB-CG 4.11Å; R56-L92 HydrophobicContact CB-CD2 4.4Å; R56-L92 HydrophobicContact CG-CD2 3.52Å; W59-L92 HydrophobicContact CB-CD1 3.7Å; W59-L92 HydrophobicContact CG-CD1 3.92Å; V88-L92 HydrophobicContact CG1-CD1 4.41Å; V88-L92 WeakPolarHBondContact O-CG 3.26Å; V88-L92 PolarHBondContact O-N 2.91Å; E89-L92 WeakPolarHBondContact O-CB 3.45Å; E89-L92 PolarHBondContact O-N 3.27Å; K90-L92 VanDerWaalsContact C-N 3.3Å; K90-L92 PolarHBondContact O-N 3.49Å; L92-D94 VanDerWaalsContact C-N 3.35Å; L92-I95 PolarHBondContact O-N 2.84Å; L92-C96 WeakPolarHBondContact O-CB 3.3Å; L92-C96 PolarHBondContact O-N 3.01Å; L92-C96 PolarHBondContact O-SG 3.46Å; L92-F134 HydrophobicContact CB-CE1 3.75Å; L92-F134 HydrophobicContact CB-CZ 3.72Å; L92-F134 HydrophobicContact CD1-CD1 4.11Å; L92-F134 HydrophobicContact CD1-CE1 4.06Å; L92-F134 HydrophobicContact CG-CE1 4.47Å
93T98.6Very high98.5Very high43 Ų4355.3 Ų55.326%0.26427%0.268SS..Hα-helixtrans-60.3-45.4176.7-66.10000111.2E89 K90 C96 N97 L131 F134E89-T93 WeakPolarHBondContact O-CB 3.2Å; E89-T93 PolarHBondContact O-N 3.43Å; E89-T93 PolarHBondContact O-OG1 3.32Å; E89-T93 VanDerWaalsContact O-OG1 3.09Å; K90-T93 WeakPolarHBondContact O-CB 3.4Å; K90-T93 PolarHBondContact O-N 3.47Å; K90-T93 VanDerWaalsContact O-N 3.17Å; T93-C96 PolarHBondContact O-N 3.32Å; T93-N97 VanDerWaalsContact CG2-ND2 3.34Å; T93-N97 WeakPolarHBondContact CG2-ND2 3.29Å; T93-N97 WeakPolarHBondContact O-CB 3.48Å; T93-N97 VanDerWaalsContact O-CG 3.27Å; T93-N97 PolarHBondContact O-N 3.31Å; T93-N97 PolarHBondContact O-ND2 3.3Å; T93-L131 HydrophobicContact CG2-CD2 4.25Å; T93-F134 VanDerWaalsContact OG1-CE2 3.32Å; T93-F134 WeakPolarHBondContact OG1-CE2 3.23Å; T93-F134 WeakPolarHBondContact OG1-CZ 3.22Å
94D98.6Very high98.5Very high89 Ų8954.3 Ų54.348%0.47626%0.264SS..Hα-helixtrans-61.9-45.8179.9-67.1-17.8000110.6K90 E91 L92 C96 N97 D98K90-D94 VanDerWaalsContact O-CG 3.23Å; K90-D94 PolarHBondContact O-N 3.4Å; E91-D94 PolarHBondContact O-N 2.87Å; L92-D94 VanDerWaalsContact C-N 3.35Å; D94-C96 PolarHBondContact O-N 3.03Å; D94-N97 PolarHBondContact O-N 3.18Å; D94-D98 VanDerWaalsContact O-CB 3.27Å; D94-D98 WeakPolarHBondContact O-CB 3.38Å; D94-D98 PolarHBondContact O-N 2.87Å
95I98.6Very high98.5Very high26 Ų2650.9 Ų50.913%0.13326%0.259CS..Hα-helixtrans-62.2-43.4176.1-63.5156.7000111.5Y48 V51 I52 R55 E91 L92 I99Y48-I95 HydrophobicContact CD1-CG2 4.34Å; V51-I95 HydrophobicContact CG1-CD1 3.69Å; V51-I95 HydrophobicContact CG1-CG1 3.91Å; V51-I95 HydrophobicContact CG1-CG2 4.08Å; I52-I95 HydrophobicContact CB-CG2 4.06Å; I52-I95 HydrophobicContact CD1-CB 3.84Å; I52-I95 HydrophobicContact CD1-CD1 4.38Å; I52-I95 HydrophobicContact CD1-CG2 3.59Å; I52-I95 HydrophobicContact CG1-CG2 4.38Å; R55-I95 HydrophobicContact CB-CD1 4.1Å; R55-I95 HydrophobicContact CG-CD1 3.8Å; E91-I95 WeakPolarHBondContact O-CD1 3.49Å; E91-I95 VanDerWaalsContact O-CG1 3.23Å; E91-I95 WeakPolarHBondContact O-CG1 3.44Å; E91-I95 PolarHBondContact O-N 2.97Å; L92-I95 PolarHBondContact O-N 2.84Å; I95-I99 WeakPolarHBondContact O-CG2 3.08Å; I95-I99 PolarHBondContact O-N 3.46Å
96C98.7Very high98.5Very high0 Ų051.1 Ų51.10%026%0.26CS..Hα-helixtrans-65.9-46-180-670000111.4L92 T93 D94 D98 I99 L100 Y127 L131L92-C96 WeakPolarHBondContact O-CB 3.3Å; L92-C96 PolarHBondContact O-N 3.01Å; L92-C96 PolarHBondContact O-SG 3.46Å; T93-C96 PolarHBondContact O-N 3.32Å; D94-C96 PolarHBondContact O-N 3.03Å; C96-D98 VanDerWaalsContact C-N 3.29Å; C96-D98 PolarHBondContact O-N 3.43Å; C96-I99 VanDerWaalsContact O-CG2 3.24Å; C96-I99 WeakPolarHBondContact O-CG2 3.21Å; C96-L100 VanDerWaalsContact O-CB 3.29Å; C96-L100 WeakPolarHBondContact O-CB 3.37Å; C96-L100 WeakPolarHBondContact O-CD1 3.35Å; C96-L100 WeakPolarHBondContact O-CG 3.39Å; C96-L100 PolarHBondContact O-N 3.5Å; C96-Y127 HydrophobicContact CB-CD1 4.23Å; C96-L131 HydrophobicContact CB-CD1 4.02Å; C96-L131 HydrophobicContact CB-CD2 3.67Å; C96-L131 HydrophobicContact CB-CG 3.65Å
97N98.6Very high98.5Very high78 Ų7847.4 Ų47.442%0.41724%0.235SC..Hα-helixtrans-64.2-38179.7-71.2-21000111.5T93 D94 L100 E101T93-N97 VanDerWaalsContact CG2-ND2 3.34Å; T93-N97 WeakPolarHBondContact CG2-ND2 3.29Å; T93-N97 WeakPolarHBondContact O-CB 3.48Å; T93-N97 VanDerWaalsContact O-CG 3.27Å; T93-N97 PolarHBondContact O-N 3.31Å; T93-N97 PolarHBondContact O-ND2 3.3Å; D94-N97 PolarHBondContact O-N 3.18Å; N97-L100 PolarHBondContact O-N 2.94Å; N97-E101 WeakPolarHBondContact O-CB 3.36Å; N97-E101 PolarHBondContact O-N 3.41Å
98D98.6Very high98.5Very high46 Ų4642.5 Ų42.525%0.24622%0.215CC..Hα-helixtrans-58.1-52177.8-174.861.4000112.4K27 Y48 D94 C96 E101 V102K27-D98 IonicContact NZ-OD1 2.62Å; K27-D98 PolarHBondContact NZ-OD1 3.08Å; K27-D98 IonicContact NZ-OD2 3.45Å; Y48-D98 VanDerWaalsContact CE1-OD2 3.3Å; Y48-D98 WeakPolarHBondContact CE1-OD2 3.46Å; Y48-D98 PolarHBondContact OH-OD2 2.98Å; D94-D98 VanDerWaalsContact O-CB 3.27Å; D94-D98 WeakPolarHBondContact O-CB 3.38Å; D94-D98 PolarHBondContact O-N 2.87Å; C96-D98 VanDerWaalsContact C-N 3.29Å; C96-D98 PolarHBondContact O-N 3.43Å; D98-E101 PolarHBondContact O-N 2.78Å; D98-V102 WeakPolarHBondContact O-CG2 3.37Å; D98-V102 PolarHBondContact O-N 3.31Å
99I98.7Very high98.4Very high0 Ų047.8 Ų47.80%025%0.246CC..Hα-helixtrans-70.4-35176.7-177.255.9000112.7Y48 I95 C96 E101 V102 L103 M123 Y127Y48-I99 HydrophobicContact CD1-CB 3.76Å; Y48-I99 HydrophobicContact CD1-CG1 4.35Å; Y48-I99 HydrophobicContact CD1-CG2 4.35Å; Y48-I99 HydrophobicContact CD2-CB 4.46Å; Y48-I99 HydrophobicContact CD2-CD1 3.76Å; Y48-I99 HydrophobicContact CD2-CG1 4.3Å; Y48-I99 HydrophobicContact CE1-CB 3.62Å; Y48-I99 HydrophobicContact CE1-CG1 4.46Å; Y48-I99 HydrophobicContact CE1-CG2 4.47Å; Y48-I99 HydrophobicContact CE2-CB 4.33Å; Y48-I99 HydrophobicContact CE2-CD1 3.67Å; Y48-I99 HydrophobicContact CE2-CG1 4.4Å; Y48-I99 HydrophobicContact CG-CB 4.17Å; Y48-I99 HydrophobicContact CG-CD1 4.22Å; Y48-I99 HydrophobicContact CG-CG1 4.25Å; I95-I99 WeakPolarHBondContact O-CG2 3.08Å; I95-I99 PolarHBondContact O-N 3.46Å; C96-I99 VanDerWaalsContact O-CG2 3.24Å; C96-I99 WeakPolarHBondContact O-CG2 3.21Å; I99-E101 VanDerWaalsContact C-N 3.28Å; I99-E101 PolarHBondContact O-N 3.34Å; I99-V102 HydrophobicContact CD1-CB 4.44Å; I99-V102 PolarHBondContact O-N 3.02Å; I99-L103 HydrophobicContact CD1-CD1 4.3Å; I99-L103 HydrophobicContact CD1-CD2 4.47Å; I99-L103 HydrophobicContact CD1-CG 3.95Å; I99-L103 HydrophobicContact CG1-CD1 3.86Å; I99-L103 HydrophobicContact CG1-CG 4.06Å; I99-L103 WeakPolarHBondContact O-CB 3.32Å; I99-L103 WeakPolarHBondContact O-CG 3.24Å; I99-L103 PolarHBondContact O-N 3.36Å; I99-M123 HydrophobicContact CD1-CE 3.77Å; I99-M123 HydrophobicContact CD1-SD 4.25Å; I99-M123 HydrophobicContact CG1-CE 3.76Å; I99-M123 HydrophobicContact CG1-SD 4.35Å; I99-Y127 HydrophobicContact CG1-CD2 4.28Å; I99-Y127 HydrophobicContact CG1-CE2 4.18Å; I99-Y127 HydrophobicContact CG2-CD1 3.34Å; I99-Y127 HydrophobicContact CG2-CD2 3.68Å; I99-Y127 HydrophobicContact CG2-CE1 3.59Å; I99-Y127 HydrophobicContact CG2-CE2 3.95Å; I99-Y127 HydrophobicContact CG2-CG 3.4Å; I99-Y127 VanDerWaalsContact CG2-CG 3.4Å
100L98.8Very high98.3Very high16 Ų1646.8 Ų46.88%0.08424%0.244CC..Hα-helixtrans-62.7-38.4177.7-73.7169.7000111.2C96 N97 E104 K124 F128 L131C96-L100 VanDerWaalsContact O-CB 3.29Å; C96-L100 WeakPolarHBondContact O-CB 3.37Å; C96-L100 WeakPolarHBondContact O-CD1 3.35Å; C96-L100 WeakPolarHBondContact O-CG 3.39Å; C96-L100 PolarHBondContact O-N 3.5Å; N97-L100 PolarHBondContact O-N 2.94Å; L100-E104 WeakPolarHBondContact O-CB 3.48Å; L100-E104 PolarHBondContact O-N 2.82Å; L100-K124 HydrophobicContact CD2-CB 4.41Å; L100-K124 HydrophobicContact CD2-CG 3.83Å; L100-F128 HydrophobicContact CD1-CD1 3.93Å; L100-F128 HydrophobicContact CD1-CD2 4.47Å; L100-F128 HydrophobicContact CD1-CE1 3.7Å; L100-F128 HydrophobicContact CD1-CE2 4.26Å; L100-F128 HydrophobicContact CD1-CG 4.3Å; L100-F128 HydrophobicContact CD1-CZ 3.87Å; L100-F128 HydrophobicContact CD2-CD2 3.75Å; L100-F128 HydrophobicContact CD2-CE2 3.59Å; L100-F128 HydrophobicContact CD2-CG 4.28Å; L100-F128 HydrophobicContact CD2-CZ 4Å; L100-F128 HydrophobicContact CG-CZ 4.49Å; L100-L131 HydrophobicContact CD1-CD1 3.77Å
101E98.6Very high98.1Very high126 Ų12640.7 Ų40.759%0.58922%0.219SC*.Hα-helixtrans-64.6-45.3173.9-176.6175.5-174.100111.7N97 D98 I99 L103 E104 S105N97-E101 WeakPolarHBondContact O-CB 3.36Å; N97-E101 PolarHBondContact O-N 3.41Å; D98-E101 PolarHBondContact O-N 2.78Å; I99-E101 VanDerWaalsContact C-N 3.28Å; I99-E101 PolarHBondContact O-N 3.34Å; E101-L103 PolarHBondContact O-N 2.89Å; E101-E104 PolarHBondContact O-N 2.94Å; E101-S105 WeakPolarHBondContact O-CB 3.28Å; E101-S105 PolarHBondContact O-N 3.22Å; E101-S105 PolarHBondContact O-OG 3.35Å
102V98.6Very high97.9Very high5 Ų540.8 Ų40.83%0.0323%0.231CC..Hα-helixtrans-63.5-41.5177.5174.60000111.6K27 A30 D98 I99 H106 L107K27-V102 HydrophobicContact CD-CG2 4.32Å; K27-V102 HydrophobicContact CG-CG2 4.06Å; A30-V102 HydrophobicContact CB-CG1 3.62Å; D98-V102 WeakPolarHBondContact O-CG2 3.37Å; D98-V102 PolarHBondContact O-N 3.31Å; I99-V102 HydrophobicContact CD1-CB 4.44Å; I99-V102 PolarHBondContact O-N 3.02Å; V102-H106 WeakPolarHBondContact O-CB 3.42Å; V102-H106 PolarHBondContact O-N 2.89Å; V102-H106 VanDerWaalsContact O-N 3.15Å; V102-L107 HydrophobicContact CG1-CD1 3.8Å; V102-L107 HydrophobicContact CG1-CG 4.18Å; V102-L107 PolarHBondContact O-N 3.25Å
103L98.7Very high97.7Very high0 Ų043 Ų430%025%0.247CC..Iπ-helixtrans-62.2-48.5177.3-74.2168.5000111.2I99 E101 L107 I108 Y120 M123 K124I99-L103 HydrophobicContact CD1-CD1 4.3Å; I99-L103 HydrophobicContact CD1-CD2 4.47Å; I99-L103 HydrophobicContact CD1-CG 3.95Å; I99-L103 HydrophobicContact CG1-CD1 3.86Å; I99-L103 HydrophobicContact CG1-CG 4.06Å; I99-L103 WeakPolarHBondContact O-CB 3.32Å; I99-L103 WeakPolarHBondContact O-CG 3.24Å; I99-L103 PolarHBondContact O-N 3.36Å; E101-L103 PolarHBondContact O-N 2.89Å; L103-L107 HydrophobicContact CD2-CB 4.42Å; L103-L107 HydrophobicContact CD2-CD1 3.96Å; L103-L107 PolarHBondContact O-N 3.01Å; L103-I108 HydrophobicContact CB-CD1 4.32Å; L103-I108 VanDerWaalsContact O-CB 3.32Å; L103-I108 WeakPolarHBondContact O-CB 3.37Å; L103-I108 VanDerWaalsContact O-CG1 3.3Å; L103-I108 WeakPolarHBondContact O-CG1 3.49Å; L103-I108 PolarHBondContact O-N 3.07Å; L103-Y120 HydrophobicContact CD2-CD1 3.69Å; L103-Y120 HydrophobicContact CD2-CG 4.07Å; L103-M123 HydrophobicContact CD1-CB 4.16Å; L103-M123 HydrophobicContact CD1-CG 4.09Å; L103-M123 HydrophobicContact CD1-SD 4.44Å; L103-M123 HydrophobicContact CD2-CB 4.38Å; L103-M123 HydrophobicContact CD2-SD 4.08Å; L103-K124 HydrophobicContact CD1-CB 4.1Å
104E98Very high97.6Very high95 Ų9541.4 Ų41.444%0.44424%0.239SC..Iπ-helixtrans-73.7-41.7-175.3-163.668.5176.600112.7L100 E101 V109 K124L100-E104 WeakPolarHBondContact O-CB 3.48Å; L100-E104 PolarHBondContact O-N 2.82Å; E101-E104 PolarHBondContact O-N 2.94Å; E104-V109 WeakPolarHBondContact O-CG2 3.32Å; E104-K124 VanDerWaalsContact CD-NZ 3.35Å; E104-K124 IonicContact OE1-NZ 2.86Å; E104-K124 PolarHBondContact OE1-NZ 2.63Å; E104-K124 IonicContact OE2-NZ 3.35Å; E104-K124 PolarHBondContact OE2-NZ 3.15Å
105S98Very high97.6Very high58 Ų5839.9 Ų39.941%0.40623%0.229SC..Iπ-helixtrans-80.6-30.9-171.7-51.20000112.6E101E101-S105 WeakPolarHBondContact O-CB 3.28Å; E101-S105 PolarHBondContact O-N 3.22Å; E101-S105 PolarHBondContact O-OG 3.35Å
106H98.3Very high97.5Very high41 Ų4138.8 Ų38.819%0.1922%0.224CC..Iπ-helixtrans-125.7-55.5-168.8-56.6-62.4000112.9A30 D33 V102 S110A30-H106 WeakPolarHBondContact O-CB 3.37Å; D33-H106 WeakPolarHBondContact OD1-CA 3.45Å; D33-H106 WeakPolarHBondContact OD1-CB 3.23Å; D33-H106 IonicContact OD1-CE1 2.91Å; D33-H106 IonicContact OD1-CG 2.69Å; D33-H106 IonicContact OD1-ND1 3.8Å; D33-H106 PolarHBondContact OD1-ND1 3.24Å; D33-H106 IonicContact OD2-ND1 2.74Å; V102-H106 WeakPolarHBondContact O-CB 3.42Å; V102-H106 PolarHBondContact O-N 2.89Å; V102-H106 VanDerWaalsContact O-N 3.15Å; H106-S110 VanDerWaalsContact O-CB 3.23Å; H106-S110 WeakPolarHBondContact O-CB 3.24Å; H106-S110 PolarHBondContact O-N 3.25Å; H106-S110 PolarHBondContact O-OG 3.11Å
107L98.5Very high97.5Very high0 Ų042.2 Ų42.20%024%0.239CC..Iπ-helixtrans-80-42.5-163.9-62.4172.6000113.9A30 L36 L44 V102 L103 V109 S110 S111 Y120A30-L107 HydrophobicContact CB-CD1 4.36Å; A30-L107 HydrophobicContact CB-CD2 3.68Å; A30-L107 HydrophobicContact CB-CG 4.07Å; L36-L107 HydrophobicContact CD1-CD2 3.62Å; L36-L107 HydrophobicContact CD2-CD2 4.48Å; L36-L107 HydrophobicContact CG-CD2 3.81Å; L44-L107 HydrophobicContact CD2-CD1 3.3Å; V102-L107 HydrophobicContact CG1-CD1 3.8Å; V102-L107 HydrophobicContact CG1-CG 4.18Å; V102-L107 PolarHBondContact O-N 3.25Å; L103-L107 HydrophobicContact CD2-CB 4.42Å; L103-L107 HydrophobicContact CD2-CD1 3.96Å; L103-L107 PolarHBondContact O-N 3.01Å; L107-V109 VanDerWaalsContact C-N 3.34Å; L107-S110 PolarHBondContact O-OG 3.31Å; L107-S111 VanDerWaalsContact O-CB 3.3Å; L107-S111 WeakPolarHBondContact O-CB 3.32Å; L107-S111 PolarHBondContact O-N 3.49Å; L107-S111 VanDerWaalsContact O-N 3.09Å; L107-Y120 HydrophobicContact CB-CD1 4.1Å; L107-Y120 HydrophobicContact CB-CD2 3.97Å; L107-Y120 HydrophobicContact CB-CE1 4.07Å; L107-Y120 HydrophobicContact CB-CE2 3.93Å; L107-Y120 HydrophobicContact CB-CG 4.08Å; L107-Y120 HydrophobicContact CD1-CD1 4.23Å; L107-Y120 HydrophobicContact CD1-CE1 3.97Å; L107-Y120 HydrophobicContact CD2-CE1 4.45Å; L107-Y120 HydrophobicContact CG-CE1 4.4Å; L107-Y120 WeakPolarHBondContact O-CD2 3.34Å
108I98Very high97.5Very high19 Ų1938.5 Ų38.510%0.09722%0.219CC..Hα-helixtrans-67.1-41.6176.8-68.9171.3000109.5L103 S111 Y121 K124L103-I108 HydrophobicContact CB-CD1 4.32Å; L103-I108 VanDerWaalsContact O-CB 3.32Å; L103-I108 WeakPolarHBondContact O-CB 3.37Å; L103-I108 VanDerWaalsContact O-CG1 3.3Å; L103-I108 WeakPolarHBondContact O-CG1 3.49Å; L103-I108 PolarHBondContact O-N 3.07Å; I108-S111 PolarHBondContact O-N 3.01Å; I108-S111 PolarHBondContact O-OG 3.4Å; I108-Y121 HydrophobicContact CD1-CD1 4.23Å; I108-Y121 HydrophobicContact CD1-CE1 4.11Å; I108-Y121 HydrophobicContact CG2-CE1 4.39Å; I108-Y121 HydrophobicContact CG2-CE2 4.08Å; I108-K124 HydrophobicContact CD1-CD 3.94Å
109V96.5Very high97.5Very high112 Ų11237.5 Ų37.568%0.67921%0.213SC*.Hα-helixtrans-65.6-41.7-179.6-179.40000112E104 L107E104-V109 WeakPolarHBondContact O-CG2 3.32Å; L107-V109 VanDerWaalsContact C-N 3.34Å
110S95.6Very high97.5Very high23 Ų2337.6 Ų37.616%0.16121%0.213CC..Hα-helixtrans-83.6-9.9-179.462.20000114.5D33 H106 L107 A112D33-S110 WeakPolarHBondContact O-CB 3.38Å; H106-S110 VanDerWaalsContact O-CB 3.23Å; H106-S110 WeakPolarHBondContact O-CB 3.24Å; H106-S110 PolarHBondContact O-N 3.25Å; H106-S110 PolarHBondContact O-OG 3.11Å; L107-S110 PolarHBondContact O-OG 3.31Å; S110-A112 PolarHBondContact O-N 3.24Å
111S94.7Very high97.5Very high8 Ų839.7 Ų39.76%0.05622%0.22CC..  trans-71.2121.4179.965.30000112.6L107 I108 K117L107-S111 VanDerWaalsContact O-CB 3.3Å; L107-S111 WeakPolarHBondContact O-CB 3.32Å; L107-S111 PolarHBondContact O-N 3.49Å; L107-S111 VanDerWaalsContact O-N 3.09Å; I108-S111 PolarHBondContact O-N 3.01Å; I108-S111 PolarHBondContact O-OG 3.4Å; S111-K117 WeakPolarHBondContact O-CE 3.41Å; S111-K117 WeakPolarHBondContact OG-CG 3.05Å
112A93.9Very high97.5Very high71 Ų7135.3 Ų35.359%0.58720%0.199SC*.  trans-94.8-45.7175.700000111.5E35 S110 K117E35-A112 PolarHBondContact OE1-N 3.42Å; E35-A112 VanDerWaalsContact OE2-CB 3.27Å; E35-A112 WeakPolarHBondContact OE2-CB 3.42Å; E35-A112 PolarHBondContact OE2-N 2.96Å; S110-A112 PolarHBondContact O-N 3.24Å; A112-K117 PolarHBondContact O-NZ 3.05Å
113S95.6Very high97.5Very high47 Ų4735.6 Ų35.633%0.32920%0.2SC..SBendtrans-73.2147.8-175.360.60000113.8E35 E115 S116 K117E35-S113 PolarHBondContact OE1-N 2.97Å; E35-S113 VanDerWaalsContact OE1-N 3.13Å; E35-S113 PolarHBondContact OE1-OG 3.08Å; S113-E115 VanDerWaalsContact C-N 3.27Å; S113-E115 PolarHBondContact O-N 3.41Å; S113-S116 PolarHBondContact O-N 2.98Å; S113-S116 VanDerWaalsContact OG-CB 3.25Å; S113-S116 WeakPolarHBondContact OG-CB 3.49Å; S113-S116 PolarHBondContact OG-N 3.49Å; S113-S116 PolarHBondContact OG-OG 3.38Å; S113-K117 WeakPolarHBondContact O-CG 3.41Å; S113-K117 PolarHBondContact O-N 3.43Å; S113-K117 VanDerWaalsContact O-N 3.11Å
114G96.5Very high97.5Very high10 Ų1037.3 Ų37.310%0.10321%0.208CC..Hα-helixtrans-57.7-41.2172.100000111.8K117 V118G114-K117 PolarHBondContact O-N 2.85Å; G114-V118 VanDerWaalsContact O-CG2 3.25Å; G114-V118 WeakPolarHBondContact O-CG2 3.33Å; G114-V118 PolarHBondContact O-N 3.18Å
115E97.2Very high97.6Very high56 Ų5632.8 Ų32.826%0.26219%0.187SC..Hα-helixtrans-57.3-51.7176.8-169.9-173.5120.800112.7R41 S113 K117 V118 F119 L162 H166 I168R41-E115 IonicContact CZ-OE1 3.69Å; R41-E115 VanDerWaalsContact CZ-OE1 3.24Å; R41-E115 IonicContact NH1-OE1 3.45Å; R41-E115 PolarHBondContact NH1-OE1 3.17Å; R41-E115 IonicContact NH2-OE1 3.51Å; R41-E115 PolarHBondContact NH2-OE1 3.29Å; S113-E115 VanDerWaalsContact C-N 3.27Å; S113-E115 PolarHBondContact O-N 3.41Å; E115-K117 VanDerWaalsContact C-N 3.35Å; E115-K117 PolarHBondContact O-N 3.22Å; E115-V118 PolarHBondContact O-N 3.18Å; E115-F119 WeakPolarHBondContact O-CB 2.89Å; E115-F119 PolarHBondContact O-N 3.43Å; E115-L162 HydrophobicContact CB-CD2 4.13Å; E115-L162 HydrophobicContact CG-CD2 4.42Å; E115-H166 IonicContact OE2-CE1 3.78Å; E115-H166 IonicContact OE2-NE2 2.95Å; E115-I168 HydrophobicContact CG-CD1 3.45Å; E115-I168 VanDerWaalsContact CG-CD1 3.45Å
116S98Very high97.6Very high4 Ų430.4 Ų30.43%0.02817%0.169CC..Hα-helixtrans-62.5-41.5178.8-70.60000111.8E35 S113 F119 Y120E35-S116 PolarHBondContact OE1-OG 3.4Å; S113-S116 PolarHBondContact O-N 2.98Å; S113-S116 VanDerWaalsContact OG-CB 3.25Å; S113-S116 WeakPolarHBondContact OG-CB 3.49Å; S113-S116 PolarHBondContact OG-N 3.49Å; S113-S116 PolarHBondContact OG-OG 3.38Å; S116-F119 WeakPolarHBondContact O-CB 3.13Å; S116-F119 PolarHBondContact O-N 2.89Å; S116-Y120 WeakPolarHBondContact O-CD2 3.34Å; S116-Y120 PolarHBondContact O-N 2.63Å
117K98.3Very high97.6Very high71 Ų7128.9 Ų28.931%0.30916%0.162SC..Hα-helixtrans-60.1-50.4176.2-74.3171.3-177.7163.10111.7S111 A112 S113 G114 E115 F119 Y120 Y121 I157S111-K117 WeakPolarHBondContact O-CE 3.41Å; S111-K117 WeakPolarHBondContact OG-CG 3.05Å; A112-K117 PolarHBondContact O-NZ 3.05Å; S113-K117 WeakPolarHBondContact O-CG 3.41Å; S113-K117 PolarHBondContact O-N 3.43Å; S113-K117 VanDerWaalsContact O-N 3.11Å; G114-K117 PolarHBondContact O-N 2.85Å; E115-K117 VanDerWaalsContact C-N 3.35Å; E115-K117 PolarHBondContact O-N 3.22Å; K117-F119 VanDerWaalsContact C-N 3.27Å; K117-F119 PolarHBondContact O-N 2.9Å; K117-Y120 PolarHBondContact O-N 2.78Å; K117-Y121 HydrophobicContact CB-CD2 4.44Å; K117-Y121 WeakPolarHBondContact O-CB 3.46Å; K117-Y121 VanDerWaalsContact O-CD2 3.24Å; K117-Y121 WeakPolarHBondContact O-CD2 3.46Å; K117-Y121 PolarHBondContact O-N 3.5Å; K117-I157 HydrophobicContact CB-CD1 3.92Å; K117-I157 HydrophobicContact CB-CG2 4.49Å; K117-I157 HydrophobicContact CD-CD1 4.42Å
118V98.7Very high97.6Very high0 Ų030.7 Ų30.70%017%0.17CC..Hα-helixtrans-59.1-43.3178.3177.70000110.1G114 E115 K122 A154 I157 A158 L162 I168 L172G114-V118 VanDerWaalsContact O-CG2 3.25Å; G114-V118 WeakPolarHBondContact O-CG2 3.33Å; G114-V118 PolarHBondContact O-N 3.18Å; E115-V118 PolarHBondContact O-N 3.18Å; V118-K122 WeakPolarHBondContact O-CB 3.41Å; V118-K122 PolarHBondContact O-N 3.28Å; V118-A154 HydrophobicContact CG1-CB 4.41Å; V118-I157 HydrophobicContact CG2-CB 3.81Å; V118-I157 HydrophobicContact CG2-CG2 3.6Å; V118-A158 HydrophobicContact CG1-CB 3.83Å; V118-A158 HydrophobicContact CG2-CB 3.81Å; V118-L162 HydrophobicContact CB-CD1 4.02Å; V118-L162 HydrophobicContact CG1-CD1 4.01Å; V118-L162 HydrophobicContact CG2-CD1 3.93Å; V118-I168 HydrophobicContact CB-CG2 4.1Å; V118-I168 HydrophobicContact CG1-CG2 3.59Å; V118-L172 HydrophobicContact CG1-CD2 4.09Å
119F98.5Very high97.7Very high26 Ų2630.3 Ų30.311%0.11417%0.167CC..Hα-helixtrans-58.6-50.3178-170.3-83.4000112.3R41 E115 S116 K117 K122 M123 I168R41-F119 HydrophobicContact CG-CD1 3.57Å; R41-F119 HydrophobicContact CG-CD2 4.4Å; R41-F119 HydrophobicContact CG-CE1 3.38Å; R41-F119 HydrophobicContact CG-CE2 4.24Å; R41-F119 HydrophobicContact CG-CG 4.08Å; R41-F119 HydrophobicContact CG-CZ 3.72Å; E115-F119 WeakPolarHBondContact O-CB 2.89Å; E115-F119 PolarHBondContact O-N 3.43Å; S116-F119 WeakPolarHBondContact O-CB 3.13Å; S116-F119 PolarHBondContact O-N 2.89Å; K117-F119 VanDerWaalsContact C-N 3.27Å; K117-F119 PolarHBondContact O-N 2.9Å; F119-K122 PolarHBondContact O-N 2.72Å; F119-M123 HydrophobicContact CE1-SD 4.4Å; F119-M123 WeakPolarHBondContact O-CB 3.43Å; F119-M123 PolarHBondContact O-N 3.15Å; F119-I168 HydrophobicContact CB-CD1 4.33Å; F119-I168 HydrophobicContact CB-CG2 4.49Å; F119-I168 HydrophobicContact CD2-CD1 3.75Å; F119-I168 HydrophobicContact CD2-CG1 4.13Å
120Y98.7Very high97.8Very high1 Ų126.3 Ų26.30%0.00414%0.14CC..Hα-helixtrans-72.1-39.3-177.1-62.2-43.4000113L36 R41 L103 L107 S116 K117 M123 K124L36-Y120 WeakPolarHBondContact CB-OH 3.35Å; R41-Y120 HydrophobicContact CG-CE1 3.93Å; L103-Y120 HydrophobicContact CD2-CD1 3.69Å; L103-Y120 HydrophobicContact CD2-CG 4.07Å; L107-Y120 HydrophobicContact CB-CD1 4.1Å; L107-Y120 HydrophobicContact CB-CD2 3.97Å; L107-Y120 HydrophobicContact CB-CE1 4.07Å; L107-Y120 HydrophobicContact CB-CE2 3.93Å; L107-Y120 HydrophobicContact CB-CG 4.08Å; L107-Y120 HydrophobicContact CD1-CD1 4.23Å; L107-Y120 HydrophobicContact CD1-CE1 3.97Å; L107-Y120 HydrophobicContact CD2-CE1 4.45Å; L107-Y120 HydrophobicContact CG-CE1 4.4Å; L107-Y120 WeakPolarHBondContact O-CD2 3.34Å; S116-Y120 WeakPolarHBondContact O-CD2 3.34Å; S116-Y120 PolarHBondContact O-N 2.63Å; K117-Y120 PolarHBondContact O-N 2.78Å; Y120-M123 PolarHBondContact O-N 2.94Å; Y120-K124 WeakPolarHBondContact O-CB 3.43Å; Y120-K124 PolarHBondContact O-N 3.04Å
121Y98.8Very high97.9Very high60 Ų6025.8 Ų25.824%0.23514%0.135CC..Hα-helixtrans-66.3-39173.9-81.6-66.3000112.2I108 K117 M123 K124 G125 A153 I157I108-Y121 HydrophobicContact CD1-CD1 4.23Å; I108-Y121 HydrophobicContact CD1-CE1 4.11Å; I108-Y121 HydrophobicContact CG2-CE1 4.39Å; I108-Y121 HydrophobicContact CG2-CE2 4.08Å; K117-Y121 HydrophobicContact CB-CD2 4.44Å; K117-Y121 WeakPolarHBondContact O-CB 3.46Å; K117-Y121 VanDerWaalsContact O-CD2 3.24Å; K117-Y121 WeakPolarHBondContact O-CD2 3.46Å; K117-Y121 PolarHBondContact O-N 3.5Å; Y121-M123 VanDerWaalsContact C-N 3.33Å; Y121-M123 PolarHBondContact O-N 2.9Å; Y121-K124 HydrophobicContact CD1-CD 4.48Å; Y121-K124 PolarHBondContact O-N 3.48Å; Y121-G125 PolarHBondContact O-N 2.87Å; Y121-A153 HydrophobicContact CD1-CB 3.95Å; Y121-A153 HydrophobicContact CE1-CB 4.12Å; Y121-A153 HydrophobicContact CG-CB 4.19Å; Y121-I157 HydrophobicContact CD2-CD1 4.08Å; Y121-I157 HydrophobicContact CE2-CD1 4.12Å
122K98.7Very high98.1Very high35 Ų3525.4 Ų25.415%0.15213%0.133CC..Hα-helixtrans-58.6-47.5171.5178.2-168.2171.2-66.60110.7V118 F119 G125 D126 G171 L172 N175V118-K122 WeakPolarHBondContact O-CB 3.41Å; V118-K122 PolarHBondContact O-N 3.28Å; F119-K122 PolarHBondContact O-N 2.72Å; K122-G125 PolarHBondContact O-N 3.45Å; K122-D126 IonicContact NZ-OD2 2.79Å; K122-D126 PolarHBondContact NZ-OD2 3.26Å; K122-D126 PolarHBondContact O-N 3.41Å; K122-G171 WeakPolarHBondContact CE-O 3.36Å; K122-L172 HydrophobicContact CB-CD1 4.04Å; K122-L172 HydrophobicContact CD-CB 4.07Å; K122-L172 HydrophobicContact CG-CB 4.29Å; K122-L172 HydrophobicContact CG-CD1 3.99Å; K122-N175 PolarHBondContact NZ-ND2 2.65Å
123M98.7Very high98.3Very high10 Ų1023.2 Ų23.25%0.04911%0.111CC..Hα-helixtrans-60.9-45.1178.1-164.3176.4-172.900110.9I99 L103 F119 Y120 Y121 G125 D126 Y127I99-M123 HydrophobicContact CD1-CE 3.77Å; I99-M123 HydrophobicContact CD1-SD 4.25Å; I99-M123 HydrophobicContact CG1-CE 3.76Å; I99-M123 HydrophobicContact CG1-SD 4.35Å; L103-M123 HydrophobicContact CD1-CB 4.16Å; L103-M123 HydrophobicContact CD1-CG 4.09Å; L103-M123 HydrophobicContact CD1-SD 4.44Å; L103-M123 HydrophobicContact CD2-CB 4.38Å; L103-M123 HydrophobicContact CD2-SD 4.08Å; F119-M123 HydrophobicContact CE1-SD 4.4Å; F119-M123 WeakPolarHBondContact O-CB 3.43Å; F119-M123 PolarHBondContact O-N 3.15Å; Y120-M123 PolarHBondContact O-N 2.94Å; Y121-M123 VanDerWaalsContact C-N 3.33Å; Y121-M123 PolarHBondContact O-N 2.9Å; M123-G125 VanDerWaalsContact C-N 3.31Å; M123-G125 PolarHBondContact O-N 2.99Å; M123-D126 WeakPolarHBondContact O-CB 3.27Å; M123-D126 PolarHBondContact O-N 2.62Å; M123-D126 VanDerWaalsContact O-N 3.08Å; M123-Y127 HydrophobicContact CE-CE2 3.72Å; M123-Y127 HydrophobicContact CG-CD2 3.9Å; M123-Y127 HydrophobicContact CG-CE2 3.7Å; M123-Y127 VanDerWaalsContact O-CD2 3.28Å; M123-Y127 WeakPolarHBondContact O-CD2 3.28Å; M123-Y127 PolarHBondContact O-N 2.94Å
124K98.8Very high98.3Very high37 Ų3722.1 Ų22.116%0.16110%0.1CC..Hα-helixtrans-55.4-45.4173.8-175.6175.9-179.4176.20111.7L100 L103 E104 I108 Y120 Y121 Y127 F128 A150L100-K124 HydrophobicContact CD2-CB 4.41Å; L100-K124 HydrophobicContact CD2-CG 3.83Å; L103-K124 HydrophobicContact CD1-CB 4.1Å; E104-K124 VanDerWaalsContact CD-NZ 3.35Å; E104-K124 IonicContact OE1-NZ 2.86Å; E104-K124 PolarHBondContact OE1-NZ 2.63Å; E104-K124 IonicContact OE2-NZ 3.35Å; E104-K124 PolarHBondContact OE2-NZ 3.15Å; I108-K124 HydrophobicContact CD1-CD 3.94Å; Y120-K124 WeakPolarHBondContact O-CB 3.43Å; Y120-K124 PolarHBondContact O-N 3.04Å; Y121-K124 HydrophobicContact CD1-CD 4.48Å; Y121-K124 PolarHBondContact O-N 3.48Å; K124-Y127 PolarHBondContact O-N 3.13Å; K124-F128 HydrophobicContact CD-CE2 4.36Å; K124-F128 HydrophobicContact CG-CD2 3.87Å; K124-F128 HydrophobicContact CG-CE2 3.74Å; K124-F128 VanDerWaalsContact O-CD2 3.27Å; K124-F128 WeakPolarHBondContact O-CD2 3.49Å; K124-F128 PolarHBondContact O-N 3.1Å; K124-F128 VanDerWaalsContact O-N 3.08Å; K124-A150 HydrophobicContact CB-CB 4.05Å; K124-A150 HydrophobicContact CD-CB 4.17Å; K124-A150 HydrophobicContact CG-CB 3.89Å
125G98.9Very high98.4Very high0 Ų022.5 Ų22.50%010%0.102CC..Hα-helixtrans-58.7-46.2173.400000112.7Y121 K122 M123 Y127 F128 R129 S147 Y151Y121-G125 PolarHBondContact O-N 2.87Å; K122-G125 PolarHBondContact O-N 3.45Å; M123-G125 VanDerWaalsContact C-N 3.31Å; M123-G125 PolarHBondContact O-N 2.99Å; G125-Y127 PolarHBondContact O-N 3.47Å; G125-F128 PolarHBondContact O-N 3.17Å; G125-R129 WeakPolarHBondContact O-CB 3.4Å; G125-R129 PolarHBondContact O-N 3.02Å; G125-S147 PolarHBondContact O-OG 3.28Å; G125-S147 VanDerWaalsContact O-OG 3.1Å; G125-Y151 VanDerWaalsContact C-CZ 3.48Å
126D98.8Very high98.3Very high8 Ų825.2 Ų25.24%0.04312%0.123CC..Hα-helixtrans-58.6-46.4178.1-73.6-39.9000112.8K122 M123 R129 Y130 Y151 N175K122-D126 IonicContact NZ-OD2 2.79Å; K122-D126 PolarHBondContact NZ-OD2 3.26Å; K122-D126 PolarHBondContact O-N 3.41Å; M123-D126 WeakPolarHBondContact O-CB 3.27Å; M123-D126 PolarHBondContact O-N 2.62Å; M123-D126 VanDerWaalsContact O-N 3.08Å; D126-R129 WeakPolarHBondContact O-CB 3.38Å; D126-R129 PolarHBondContact O-N 3.41Å; D126-R129 IonicContact OD1-CZ 2.65Å; D126-R129 IonicContact OD1-NE 2.68Å; D126-R129 IonicContact OD1-NH2 2.81Å; D126-R129 PolarHBondContact OD1-NH2 2.86Å; D126-Y130 HydrophobicContact CB-CE2 4.35Å; D126-Y130 VanDerWaalsContact O-CD1 3.28Å; D126-Y130 WeakPolarHBondContact O-CD1 3.43Å; D126-Y130 WeakPolarHBondContact O-CD2 3.34Å; D126-Y130 PolarHBondContact O-N 3.36Å; D126-Y151 WeakPolarHBondContact CA-OH 3.45Å; D126-Y151 PolarHBondContact N-OH 3.4Å; D126-Y151 PolarHBondContact OD1-OH 3.21Å; D126-N175 VanDerWaalsContact OD1-CB 3.27Å; D126-N175 WeakPolarHBondContact OD1-CB 3.21Å; D126-N175 PolarHBondContact OD1-ND2 2.94Å; D126-N175 PolarHBondContact OD2-ND2 2.95Å
127Y98.8Very high98.2Very high8 Ų827.9 Ų27.93%0.03115%0.15CC..Hα-helixtrans-73.2-34.5-178.9-78-84.7000113.2Y48 I52 C96 I99 M123 K124 G125 R129 Y130 L131Y48-Y127 VanDerWaalsContact C-OH 3.3Å; Y48-Y127 VanDerWaalsContact CB-OH 3.24Å; Y48-Y127 WeakPolarHBondContact CB-OH 3.41Å; Y48-Y127 PolarHBondContact O-OH 3.2Å; I52-Y127 HydrophobicContact CB-CE1 3.93Å; I52-Y127 HydrophobicContact CD1-CE1 4.3Å; I52-Y127 HydrophobicContact CG1-CD1 4.48Å; I52-Y127 HydrophobicContact CG1-CE1 3.92Å; I52-Y127 HydrophobicContact CG2-CE1 3.93Å; C96-Y127 HydrophobicContact CB-CD1 4.23Å; I99-Y127 HydrophobicContact CG1-CD2 4.28Å; I99-Y127 HydrophobicContact CG1-CE2 4.18Å; I99-Y127 HydrophobicContact CG2-CD1 3.34Å; I99-Y127 HydrophobicContact CG2-CD2 3.68Å; I99-Y127 HydrophobicContact CG2-CE1 3.59Å; I99-Y127 HydrophobicContact CG2-CE2 3.95Å; I99-Y127 HydrophobicContact CG2-CG 3.4Å; I99-Y127 VanDerWaalsContact CG2-CG 3.4Å; M123-Y127 HydrophobicContact CE-CE2 3.72Å; M123-Y127 HydrophobicContact CG-CD2 3.9Å; M123-Y127 HydrophobicContact CG-CE2 3.7Å; M123-Y127 VanDerWaalsContact O-CD2 3.28Å; M123-Y127 WeakPolarHBondContact O-CD2 3.28Å; M123-Y127 PolarHBondContact O-N 2.94Å; K124-Y127 PolarHBondContact O-N 3.13Å; G125-Y127 PolarHBondContact O-N 3.47Å; Y127-R129 VanDerWaalsContact C-N 3.34Å; Y127-Y130 AromaticContact CD1-CD2 3.83Å; Y127-Y130 HydrophobicContact CD1-CD2 3.83Å; Y127-Y130 HydrophobicContact CD1-CE2 4.27Å; Y127-Y130 HydrophobicContact CE1-CD2 4.09Å; Y127-Y130 HydrophobicContact CE1-CE2 4.2Å; Y127-Y130 HydrophobicContact CG-CD2 4.22Å; Y127-Y130 PolarHBondContact O-N 2.93Å; Y127-L131 PolarHBondContact O-N 2.83Å
128F98.9Very high98.2Very high38 Ų3830.6 Ų30.617%0.16717%0.168CC..Hα-helixtrans-66.4-36.7169.4-82.7-58.2000112.6L100 K124 G125 Y130 L131 A132L100-F128 HydrophobicContact CD1-CD1 3.93Å; L100-F128 HydrophobicContact CD1-CD2 4.47Å; L100-F128 HydrophobicContact CD1-CE1 3.7Å; L100-F128 HydrophobicContact CD1-CE2 4.26Å; L100-F128 HydrophobicContact CD1-CG 4.3Å; L100-F128 HydrophobicContact CD1-CZ 3.87Å; L100-F128 HydrophobicContact CD2-CD2 3.75Å; L100-F128 HydrophobicContact CD2-CE2 3.59Å; L100-F128 HydrophobicContact CD2-CG 4.28Å; L100-F128 HydrophobicContact CD2-CZ 4Å; L100-F128 HydrophobicContact CG-CZ 4.49Å; K124-F128 HydrophobicContact CD-CE2 4.36Å; K124-F128 HydrophobicContact CG-CD2 3.87Å; K124-F128 HydrophobicContact CG-CE2 3.74Å; K124-F128 VanDerWaalsContact O-CD2 3.27Å; K124-F128 WeakPolarHBondContact O-CD2 3.49Å; K124-F128 PolarHBondContact O-N 3.1Å; K124-F128 VanDerWaalsContact O-N 3.08Å; G125-F128 PolarHBondContact O-N 3.17Å; F128-Y130 VanDerWaalsContact C-N 3.34Å; F128-L131 HydrophobicContact CD1-CD1 3.98Å; F128-L131 HydrophobicContact CE1-CD1 4.37Å; F128-L131 WeakPolarHBondContact O-CB 3.3Å; F128-L131 PolarHBondContact O-N 3.29Å; F128-A132 PolarHBondContact O-N 3.27Å
129R98.7Very high98.2Very high11 Ų1134.6 Ų34.64%0.04219%0.194CC..Hα-helixtrans-60.1-44.9171.3168.3167.66790-1.8111.2G125 D126 Y127 L131 A132 E133 Y151 F179 I183G125-R129 WeakPolarHBondContact O-CB 3.4Å; G125-R129 PolarHBondContact O-N 3.02Å; D126-R129 WeakPolarHBondContact O-CB 3.38Å; D126-R129 PolarHBondContact O-N 3.41Å; D126-R129 IonicContact OD1-CZ 2.65Å; D126-R129 IonicContact OD1-NE 2.68Å; D126-R129 IonicContact OD1-NH2 2.81Å; D126-R129 PolarHBondContact OD1-NH2 2.86Å; Y127-R129 VanDerWaalsContact C-N 3.34Å; R129-L131 VanDerWaalsContact C-N 3.32Å; R129-L131 PolarHBondContact O-N 3.34Å; R129-A132 WeakPolarHBondContact O-CA 3.43Å; R129-A132 WeakPolarHBondContact O-CB 3.28Å; R129-A132 PolarHBondContact O-N 3.1Å; R129-E133 IonicContact NH1-OE1 3.67Å; R129-E133 PolarHBondContact O-N 3.26Å; R129-Y151 PolarHBondContact NE-OH 3.21Å; R129-F179 HydrophobicContact CB-CD2 4.18Å; R129-F179 HydrophobicContact CG-CD2 4.27Å; R129-I183 HydrophobicContact CG-CD1 4.14Å; R129-I183 HydrophobicContact CG-CG1 3.82Å
130Y98.6Very high98.2Very high28 Ų2837.4 Ų37.411%0.1120%0.204CC..Hα-helixtrans-60.2-41.5176.9-57.9-24000112I52 R56 D126 Y127 F128 A132 E133 F134I52-Y130 HydrophobicContact CG1-CD2 3.87Å; I52-Y130 HydrophobicContact CG1-CE2 4.32Å; I52-Y130 HydrophobicContact CG2-CD2 4.44Å; I52-Y130 HydrophobicContact CG2-CE2 4.08Å; R56-Y130 VanDerWaalsContact CZ-CE1 3.46Å; D126-Y130 HydrophobicContact CB-CE2 4.35Å; D126-Y130 VanDerWaalsContact O-CD1 3.28Å; D126-Y130 WeakPolarHBondContact O-CD1 3.43Å; D126-Y130 WeakPolarHBondContact O-CD2 3.34Å; D126-Y130 PolarHBondContact O-N 3.36Å; Y127-Y130 AromaticContact CD1-CD2 3.83Å; Y127-Y130 HydrophobicContact CD1-CD2 3.83Å; Y127-Y130 HydrophobicContact CD1-CE2 4.27Å; Y127-Y130 HydrophobicContact CE1-CD2 4.09Å; Y127-Y130 HydrophobicContact CE1-CE2 4.2Å; Y127-Y130 HydrophobicContact CG-CD2 4.22Å; Y127-Y130 PolarHBondContact O-N 2.93Å; F128-Y130 VanDerWaalsContact C-N 3.34Å; Y130-A132 VanDerWaalsContact C-N 3.32Å; Y130-A132 PolarHBondContact O-N 2.95Å; Y130-E133 WeakPolarHBondContact CD1-OE1 3.41Å; Y130-E133 WeakPolarHBondContact O-CB 3.47Å; Y130-E133 PolarHBondContact O-N 3.22Å; Y130-F134 WeakPolarHBondContact O-CD1 3.22Å; Y130-F134 WeakPolarHBondContact O-CE1 3.21Å
131L98.7Very high98.1Very high12 Ų1243.4 Ų43.46%0.06323%0.23CC..Hα-helixtrans-59-43.2171.8-71.8171.3000111.9T93 C96 L100 Y127 F128 R129 E133 F134 A135 S143T93-L131 HydrophobicContact CG2-CD2 4.25Å; C96-L131 HydrophobicContact CB-CD1 4.02Å; C96-L131 HydrophobicContact CB-CD2 3.67Å; C96-L131 HydrophobicContact CB-CG 3.65Å; L100-L131 HydrophobicContact CD1-CD1 3.77Å; Y127-L131 PolarHBondContact O-N 2.83Å; F128-L131 HydrophobicContact CD1-CD1 3.98Å; F128-L131 HydrophobicContact CE1-CD1 4.37Å; F128-L131 WeakPolarHBondContact O-CB 3.3Å; F128-L131 PolarHBondContact O-N 3.29Å; R129-L131 VanDerWaalsContact C-N 3.32Å; R129-L131 PolarHBondContact O-N 3.34Å; L131-E133 VanDerWaalsContact C-N 3.27Å; L131-E133 PolarHBondContact O-N 3.08Å; L131-F134 HydrophobicContact CD2-CE1 4.47Å; L131-F134 HydrophobicContact CD2-CZ 3.9Å; L131-A135 WeakPolarHBondContact O-CB 3.35Å; L131-A135 PolarHBondContact O-N 3.03Å; L131-S143 WeakPolarHBondContact CB-OG 3.32Å
132A98.6Very high98.1Very high0 Ų044.4 Ų44.40%024%0.242CC..Hα-helixtrans-66.6-24.6179.300000113.7F128 R129 Y130 F134 R140 A144 I183F128-A132 PolarHBondContact O-N 3.27Å; R129-A132 WeakPolarHBondContact O-CA 3.43Å; R129-A132 WeakPolarHBondContact O-CB 3.28Å; R129-A132 PolarHBondContact O-N 3.1Å; Y130-A132 VanDerWaalsContact C-N 3.32Å; Y130-A132 PolarHBondContact O-N 2.95Å; A132-F134 VanDerWaalsContact C-N 3.32Å; A132-F134 PolarHBondContact O-N 3.35Å; A132-R140 PolarHBondContact O-NH1 2.92Å; A132-A144 HydrophobicContact CB-CB 4.39Å; A132-I183 HydrophobicContact CB-CD1 4.26Å; A132-I183 HydrophobicContact CB-CG2 3.84Å
133E97.5Very high98.1Very high26 Ų2643.4 Ų43.412%0.12124%0.24CC..Hα-helixtrans-58.9-40.9179.4-74.4171.4-161.100112.5R56 W59 R60 R129 Y130 L131 I183R56-E133 IonicContact CZ-OE1 3.95Å; R56-E133 IonicContact CZ-OE2 3.36Å; R56-E133 IonicContact NE-OE1 3.73Å; R56-E133 IonicContact NE-OE2 2.97Å; R56-E133 PolarHBondContact NE-OE2 3.23Å; R56-E133 IonicContact NH2-OE1 3.45Å; R56-E133 PolarHBondContact NH2-OE1 2.86Å; R56-E133 IonicContact NH2-OE2 3.57Å; R56-E133 PolarHBondContact NH2-OE2 3.22Å; W59-E133 HydrophobicContact CH2-CB 4.5Å; R60-E133 IonicContact NH2-OE2 2.81Å; R60-E133 PolarHBondContact NH2-OE2 3.14Å; R129-E133 IonicContact NH1-OE1 3.67Å; R129-E133 PolarHBondContact O-N 3.26Å; Y130-E133 WeakPolarHBondContact CD1-OE1 3.41Å; Y130-E133 WeakPolarHBondContact O-CB 3.47Å; Y130-E133 PolarHBondContact O-N 3.22Å; L131-E133 VanDerWaalsContact C-N 3.27Å; L131-E133 PolarHBondContact O-N 3.08Å; E133-I183 HydrophobicContact CG-CD1 3.91Å
134F96.4Very high98.1Very high24 Ų2443.5 Ų43.511%0.10524%0.242CC..Hα-helixtrans-114.8-17.3-174.463.5-92.5000114W59 E89 L92 T93 Y130 L131 A132W59-F134 HydrophobicContact CD2-CB 4.34Å; W59-F134 VanDerWaalsContact CE2-CB 3.48Å; W59-F134 HydrophobicContact CH2-CB 4.08Å; W59-F134 HydrophobicContact CZ2-CB 3.35Å; E89-F134 HydrophobicContact CB-CD2 3.85Å; E89-F134 HydrophobicContact CB-CE2 4.03Å; E89-F134 HydrophobicContact CG-CB 4.23Å; E89-F134 HydrophobicContact CG-CD2 3.75Å; E89-F134 HydrophobicContact CG-CE2 4.4Å; E89-F134 HydrophobicContact CG-CG 4.18Å; L92-F134 HydrophobicContact CB-CE1 3.75Å; L92-F134 HydrophobicContact CB-CZ 3.72Å; L92-F134 HydrophobicContact CD1-CD1 4.11Å; L92-F134 HydrophobicContact CD1-CE1 4.06Å; L92-F134 HydrophobicContact CG-CE1 4.47Å; T93-F134 VanDerWaalsContact OG1-CE2 3.32Å; T93-F134 WeakPolarHBondContact OG1-CE2 3.23Å; T93-F134 WeakPolarHBondContact OG1-CZ 3.22Å; Y130-F134 WeakPolarHBondContact O-CD1 3.22Å; Y130-F134 WeakPolarHBondContact O-CE1 3.21Å; L131-F134 HydrophobicContact CD2-CE1 4.47Å; L131-F134 HydrophobicContact CD2-CZ 3.9Å; A132-F134 VanDerWaalsContact C-N 3.32Å; A132-F134 PolarHBondContact O-N 3.35Å
135A97.6Very high98.1Very high18 Ų1846.3 Ų46.315%0.14926%0.256CS..  trans-63.4153.6174.200000111.9L131 P139 R140L131-A135 WeakPolarHBondContact O-CB 3.35Å; L131-A135 PolarHBondContact O-N 3.03Å; A135-P139 HydrophobicContact CB-CB 4.12Å; A135-R140 HydrophobicContact CB-CB 4.05Å; A135-R140 WeakPolarHBondContact O-CB 3.27Å
136T95.9Very high98.1Very high113 Ų11347.8 Ų47.869%0.69327%0.266SS*.  trans-126.2162176.258.80000110.7P139 R140T136-P139 VanDerWaalsContact O-CD 3.25Å; T136-P139 WeakPolarHBondContact O-CD 3.42Å; T136-R140 PolarHBondContact O-N 2.59Å
137G96.5Very high98.1Very high59 Ų5947.4 Ų47.461%0.60826%0.264SS*.Hα-helixtrans56.9-136.4176.300000114.2R140 K141G137-R140 WeakPolarHBondContact O-CB 3.36Å; G137-R140 PolarHBondContact O-N 2.81Å; G137-K141 PolarHBondContact O-N 3.4Å
138N97.8Very high98.1Very high129 Ų12948.8 Ų48.869%0.6927%0.272SS*.Hα-helixtrans-61.1-45.6-178.8-72.8-18.6000113.5R140 K141 T142N138-R140 VanDerWaalsContact C-N 3.28Å; N138-R140 PolarHBondContact O-N 2.81Å; N138-K141 WeakPolarHBondContact O-CB 3.37Å; N138-K141 PolarHBondContact O-N 3Å; N138-T142 PolarHBondContact O-N 3.43Å; N138-T142 PolarHBondContact O-OG1 2.99Å
139P97.7Very high98.1Very high83 Ų8352.6 Ų52.654%0.53929%0.293SS..Hα-helixtrans-50.3-44.8173.4-31.635.3000113.8A135 T136 K141 T142 S143A135-P139 HydrophobicContact CB-CB 4.12Å; T136-P139 VanDerWaalsContact O-CD 3.25Å; T136-P139 WeakPolarHBondContact O-CD 3.42Å; P139-K141 VanDerWaalsContact C-N 3.35Å; P139-K141 PolarHBondContact O-N 3.3Å; P139-T142 PolarHBondContact O-N 3.3Å; P139-S143 WeakPolarHBondContact O-CB 3.34Å; P139-S143 PolarHBondContact O-N 3.35Å; P139-S143 PolarHBondContact O-OG 2.95Å; P139-S143 VanDerWaalsContact O-OG 3.1Å
140R98.3Very high98.1Very high86 Ų8652.2 Ų52.233%0.32529%0.292SS..Hα-helixtrans-58.5-47.2176.7-174.2-178.3168.893.2-1.4111.8A132 A135 T136 G137 N138 S143 A144 I183A132-R140 PolarHBondContact O-NH1 2.92Å; A135-R140 HydrophobicContact CB-CB 4.05Å; A135-R140 WeakPolarHBondContact O-CB 3.27Å; T136-R140 PolarHBondContact O-N 2.59Å; G137-R140 WeakPolarHBondContact O-CB 3.36Å; G137-R140 PolarHBondContact O-N 2.81Å; N138-R140 VanDerWaalsContact C-N 3.28Å; N138-R140 PolarHBondContact O-N 2.81Å; R140-S143 PolarHBondContact O-N 3.22Å; R140-A144 WeakPolarHBondContact O-CB 3.22Å; R140-A144 PolarHBondContact O-N 2.84Å; R140-I183 PolarHBondContact NH2-O 2.95Å
141K98.4Very high98.1Very high126 Ų12650.9 Ų50.955%0.54829%0.287SS..Hα-helixtrans-61.6-48.1-179.2-177.4177.6172.6-179.50111.1G137 N138 P139 S143 A144 E145G137-K141 PolarHBondContact O-N 3.4Å; N138-K141 WeakPolarHBondContact O-CB 3.37Å; N138-K141 PolarHBondContact O-N 3Å; P139-K141 VanDerWaalsContact C-N 3.35Å; P139-K141 PolarHBondContact O-N 3.3Å; K141-S143 PolarHBondContact O-N 3.04Å; K141-A144 PolarHBondContact O-N 3.37Å; K141-E145 WeakPolarHBondContact CE-OE1 3.42Å; K141-E145 IonicContact NZ-OE1 2.69Å; K141-E145 WeakPolarHBondContact O-CB 3.5Å; K141-E145 WeakPolarHBondContact O-CG 3.32Å; K141-E145 PolarHBondContact O-N 2.86Å
142T98.5Very high98.1Very high81 Ų8155.2 Ų55.250%0.49731%0.305SS..Hα-helixtrans-62.3-42.4178.7-58.80000112.1N138 P139 E145 S146N138-T142 PolarHBondContact O-N 3.43Å; N138-T142 PolarHBondContact O-OG1 2.99Å; P139-T142 PolarHBondContact O-N 3.3Å; T142-E145 PolarHBondContact O-N 2.99Å; T142-S146 WeakPolarHBondContact O-CB 3.41Å; T142-S146 PolarHBondContact O-N 3.2Å; T142-S146 PolarHBondContact O-OG 3.42Å
143S98.7Very high98.1Very high14 Ų1456.5 Ų56.510%0.09832%0.316CS..Hα-helixtrans-64.8-43.1175.6-62.80000111.8L131 P139 R140 K141 S146 S147L131-S143 WeakPolarHBondContact CB-OG 3.32Å; P139-S143 WeakPolarHBondContact O-CB 3.34Å; P139-S143 PolarHBondContact O-N 3.35Å; P139-S143 PolarHBondContact O-OG 2.95Å; P139-S143 VanDerWaalsContact O-OG 3.1Å; R140-S143 PolarHBondContact O-N 3.22Å; K141-S143 PolarHBondContact O-N 3.04Å; S143-S146 PolarHBondContact O-N 2.69Å; S143-S147 VanDerWaalsContact O-CB 3.28Å; S143-S147 WeakPolarHBondContact O-CB 3.31Å; S143-S147 PolarHBondContact O-N 3.22Å
144A98.7Very high98.2Very high12 Ų1255.2 Ų55.210%0.09931%0.31CS..Hα-helixtrans-64.1-42.4177.100000112.4A132 R140 K141 S147 L148 F179 I183 L184A132-A144 HydrophobicContact CB-CB 4.39Å; R140-A144 WeakPolarHBondContact O-CB 3.22Å; R140-A144 PolarHBondContact O-N 2.84Å; K141-A144 PolarHBondContact O-N 3.37Å; A144-S147 PolarHBondContact O-N 2.99Å; A144-L148 WeakPolarHBondContact O-CB 3.42Å; A144-L148 PolarHBondContact O-N 2.85Å; A144-F179 WeakPolarHBondContact O-CZ 3.25Å; A144-I183 HydrophobicContact CB-CG2 3.83Å; A144-L184 HydrophobicContact CB-CD2 4.48Å
145E98.7Very high98.3Very high96 Ų9655.3 Ų55.345%0.44931%0.314SS..Hα-helixtrans-62.9-45.6175.4-74.4171.1176.100111.5K141 T142 S147 L148 I149K141-E145 WeakPolarHBondContact CE-OE1 3.42Å; K141-E145 IonicContact NZ-OE1 2.69Å; K141-E145 WeakPolarHBondContact O-CB 3.5Å; K141-E145 WeakPolarHBondContact O-CG 3.32Å; K141-E145 PolarHBondContact O-N 2.86Å; T142-E145 PolarHBondContact O-N 2.99Å; E145-S147 PolarHBondContact O-N 2.9Å; E145-L148 PolarHBondContact O-N 2.74Å; E145-I149 VanDerWaalsContact O-CG1 3.29Å; E145-I149 WeakPolarHBondContact O-CG1 3.32Å; E145-I149 PolarHBondContact O-N 2.81Å
146S98.8Very high98.3Very high31 Ų3159.9 Ų59.922%0.21734%0.335CS..Hα-helixtrans-64.3-40.2178.2-56.50000112.1T142 S143 I149 A150T142-S146 WeakPolarHBondContact O-CB 3.41Å; T142-S146 PolarHBondContact O-N 3.2Å; T142-S146 PolarHBondContact O-OG 3.42Å; S143-S146 PolarHBondContact O-N 2.69Å; S146-I149 PolarHBondContact O-N 2.78Å; S146-A150 WeakPolarHBondContact O-CB 3.06Å; S146-A150 PolarHBondContact O-N 3.35Å
147S98.8Very high98.4Very high0 Ų056.4 Ų56.40%031%0.312CS..Hα-helixtrans-59.3-48.5172.9178.70000111.4G125 S143 A144 E145 I149 A150 Y151 F179G125-S147 PolarHBondContact O-OG 3.28Å; G125-S147 VanDerWaalsContact O-OG 3.1Å; S143-S147 VanDerWaalsContact O-CB 3.28Å; S143-S147 WeakPolarHBondContact O-CB 3.31Å; S143-S147 PolarHBondContact O-N 3.22Å; A144-S147 PolarHBondContact O-N 2.99Å; E145-S147 PolarHBondContact O-N 2.9Å; S147-I149 PolarHBondContact O-N 2.84Å; S147-A150 PolarHBondContact O-N 3.31Å; S147-Y151 WeakPolarHBondContact O-CD2 3.49Å; S147-Y151 PolarHBondContact O-N 3.49Å; S147-Y151 VanDerWaalsContact OG-CE2 3.22Å; S147-Y151 WeakPolarHBondContact OG-CE2 3.34Å; S147-F179 WeakPolarHBondContact OG-CD2 3.3Å; S147-F179 VanDerWaalsContact OG-CE2 3.23Å; S147-F179 WeakPolarHBondContact OG-CE2 3.49Å
148L98.8Very high98.5Very high37 Ų3753.7 Ų53.719%0.19428%0.284CS..Hα-helixtrans-61.4-43.1178.6179.162000112A144 E145 K152 F176 F179 Y180A144-L148 WeakPolarHBondContact O-CB 3.42Å; A144-L148 PolarHBondContact O-N 2.85Å; E145-L148 PolarHBondContact O-N 2.74Å; L148-K152 HydrophobicContact CD1-CD 4.23Å; L148-K152 HydrophobicContact CD1-CG 4.3Å; L148-K152 HydrophobicContact CG-CD 4.28Å; L148-K152 WeakPolarHBondContact O-CB 3.49Å; L148-K152 WeakPolarHBondContact O-CG 3.45Å; L148-K152 PolarHBondContact O-N 3.09Å; L148-F176 HydrophobicContact CD1-CE2 3.75Å; L148-F176 HydrophobicContact CD1-CZ 3.76Å; L148-F179 HydrophobicContact CB-CE1 3.95Å; L148-F179 HydrophobicContact CB-CZ 3.96Å; L148-F179 HydrophobicContact CD1-CE1 4Å; L148-Y180 HydrophobicContact CD1-CE1 4.28Å
149I98.8Very high98.5Very high119 Ų11952 Ų5261%0.6128%0.278SS*.Hα-helixtrans-61.2-48177.2-70.1164.7000110.4E145 S146 S147 K152 A153E145-I149 VanDerWaalsContact O-CG1 3.29Å; E145-I149 WeakPolarHBondContact O-CG1 3.32Å; E145-I149 PolarHBondContact O-N 2.81Å; S146-I149 PolarHBondContact O-N 2.78Å; S147-I149 PolarHBondContact O-N 2.84Å; I149-K152 PolarHBondContact O-N 2.93Å; I149-A153 WeakPolarHBondContact O-CB 3.08Å; I149-A153 PolarHBondContact O-N 3.06Å
150A98.9Very high98.5Very high2 Ų253.2 Ų53.22%0.01728%0.284CS..Hα-helixtrans-64.2-44.1-17900000112.3K124 S146 S147 A153 A154K124-A150 HydrophobicContact CB-CB 4.05Å; K124-A150 HydrophobicContact CD-CB 4.17Å; K124-A150 HydrophobicContact CG-CB 3.89Å; S146-A150 WeakPolarHBondContact O-CB 3.06Å; S146-A150 PolarHBondContact O-N 3.35Å; S147-A150 PolarHBondContact O-N 3.31Å; A150-A153 PolarHBondContact O-N 3.06Å; A150-A154 PolarHBondContact O-N 3.48Å
151Y98.9Very high98.4Very high0 Ų054.9 Ų54.90%030%0.296CS..Hα-helixtrans-64.7-40.1176.4-74.9-50.5000112.8G125 D126 R129 S147 A154 S155 L172 N175 F176 F179G125-Y151 VanDerWaalsContact C-CZ 3.48Å; D126-Y151 WeakPolarHBondContact CA-OH 3.45Å; D126-Y151 PolarHBondContact N-OH 3.4Å; D126-Y151 PolarHBondContact OD1-OH 3.21Å; R129-Y151 PolarHBondContact NE-OH 3.21Å; S147-Y151 WeakPolarHBondContact O-CD2 3.49Å; S147-Y151 PolarHBondContact O-N 3.49Å; S147-Y151 VanDerWaalsContact OG-CE2 3.22Å; S147-Y151 WeakPolarHBondContact OG-CE2 3.34Å; Y151-A154 WeakPolarHBondContact O-CB 3.39Å; Y151-A154 PolarHBondContact O-N 2.65Å; Y151-S155 WeakPolarHBondContact O-CB 3.48Å; Y151-S155 PolarHBondContact O-N 3.13Å; Y151-S155 PolarHBondContact O-OG 3.24Å; Y151-S155 VanDerWaalsContact O-OG 3.11Å; Y151-L172 HydrophobicContact CD1-CD1 3.65Å; Y151-L172 HydrophobicContact CE1-CD1 4.35Å; Y151-N175 HydrophobicContact CE1-CB 4.25Å; Y151-F176 VanDerWaalsContact CB-CD2 3.49Å; Y151-F176 HydrophobicContact CD1-CB 4.04Å; Y151-F176 HydrophobicContact CD1-CD2 4.49Å; Y151-F176 HydrophobicContact CD1-CG 4.29Å; Y151-F176 HydrophobicContact CD2-CB 4.37Å; Y151-F176 AromaticContact CD2-CD2 3.49Å; Y151-F176 HydrophobicContact CD2-CD2 3.49Å; Y151-F176 VanDerWaalsContact CD2-CD2 3.49Å; Y151-F176 AromaticContact CD2-CE2 3.95Å; Y151-F176 HydrophobicContact CD2-CE2 3.95Å; Y151-F176 HydrophobicContact CD2-CG 4.1Å; Y151-F176 HydrophobicContact CE1-CB 4.46Å; Y151-F176 HydrophobicContact CE2-CD2 4.3Å; Y151-F176 HydrophobicContact CG-CB 4Å; Y151-F176 HydrophobicContact CG-CD1 4.36Å; Y151-F176 AromaticContact CG-CD2 3.6Å; Y151-F176 HydrophobicContact CG-CD2 3.6Å; Y151-F176 HydrophobicContact CG-CE2 4.09Å; Y151-F176 AromaticContact CG-CG 3.76Å; Y151-F176 HydrophobicContact CG-CG 3.76Å; Y151-F179 HydrophobicContact CD2-CB 4.15Å; Y151-F179 HydrophobicContact CD2-CD1 4.19Å; Y151-F179 HydrophobicContact CD2-CG 4.04Å; Y151-F179 HydrophobicContact CE2-CB 3.62Å; Y151-F179 HydrophobicContact CE2-CD1 4.41Å; Y151-F179 HydrophobicContact CE2-CD2 4.15Å; Y151-F179 AromaticContact CE2-CG 3.8Å; Y151-F179 HydrophobicContact CE2-CG 3.8Å
152K98.7Very high98.4Very high103 Ų10349.5 Ų49.545%0.44827%0.273SS..Hα-helixtrans-62.6-46175-77.1179.6172.1-179.70112L148 I149 A154 S155 D156 F176L148-K152 HydrophobicContact CD1-CD 4.23Å; L148-K152 HydrophobicContact CD1-CG 4.3Å; L148-K152 HydrophobicContact CG-CD 4.28Å; L148-K152 WeakPolarHBondContact O-CB 3.49Å; L148-K152 WeakPolarHBondContact O-CG 3.45Å; L148-K152 PolarHBondContact O-N 3.09Å; I149-K152 PolarHBondContact O-N 2.93Å; K152-A154 VanDerWaalsContact C-N 3.28Å; K152-A154 PolarHBondContact O-N 3.02Å; K152-S155 PolarHBondContact O-N 3.41Å; K152-D156 VanDerWaalsContact O-CG 3.27Å; K152-D156 PolarHBondContact O-N 3.29Å; K152-F176 HydrophobicContact CG-CE1 4.43Å; K152-F176 HydrophobicContact CG-CZ 4.08Å
153A98.5Very high98.3Very high27 Ų2748.6 Ų48.622%0.22327%0.268CS..Hα-helixtrans-58.5-41.1175.600000111.8Y121 I149 A150 I157Y121-A153 HydrophobicContact CD1-CB 3.95Å; Y121-A153 HydrophobicContact CE1-CB 4.12Å; Y121-A153 HydrophobicContact CG-CB 4.19Å; I149-A153 WeakPolarHBondContact O-CB 3.08Å; I149-A153 PolarHBondContact O-N 3.06Å; A150-A153 PolarHBondContact O-N 3.06Å; A153-I157 WeakPolarHBondContact O-CG1 3.38Å; A153-I157 PolarHBondContact O-N 3.03Å
154A98.8Very high98.2Very high0 Ų048.8 Ų48.80%027%0.269CS..Hα-helixtrans-63.2-43173.300000111.9V118 A150 Y151 K152 A158 L172V118-A154 HydrophobicContact CG1-CB 4.41Å; A150-A154 PolarHBondContact O-N 3.48Å; Y151-A154 WeakPolarHBondContact O-CB 3.39Å; Y151-A154 PolarHBondContact O-N 2.65Å; K152-A154 VanDerWaalsContact C-N 3.28Å; K152-A154 PolarHBondContact O-N 3.02Å; A154-A158 WeakPolarHBondContact O-CB 3.29Å; A154-A158 PolarHBondContact O-N 3.44Å; A154-L172 HydrophobicContact CB-CD1 3.7Å; A154-L172 HydrophobicContact CB-CD2 3.63Å; A154-L172 HydrophobicContact CB-CG 4.32Å
155S98.6Very high98.1Very high26 Ų2648.4 Ų48.418%0.18227%0.266CS..Hα-helixtrans-65.7-43.4-178.7-68.30000112.1Y151 K152 I157 A158 V159Y151-S155 WeakPolarHBondContact O-CB 3.48Å; Y151-S155 PolarHBondContact O-N 3.13Å; Y151-S155 PolarHBondContact O-OG 3.24Å; Y151-S155 VanDerWaalsContact O-OG 3.11Å; K152-S155 PolarHBondContact O-N 3.41Å; S155-I157 VanDerWaalsContact C-N 3.3Å; S155-I157 PolarHBondContact O-N 2.79Å; S155-A158 PolarHBondContact O-N 3.31Å; S155-V159 VanDerWaalsContact O-CG2 3.31Å; S155-V159 WeakPolarHBondContact O-CG2 3.48Å; S155-V159 PolarHBondContact O-N 2.93Å
156D98.3Very high98Very high114 Ų11445.4 Ų45.461%0.6125%0.252SS*.Hα-helixtrans-60-41.9-179.7-67.3-18.6000111.1K152K152-D156 VanDerWaalsContact O-CG 3.27Å; K152-D156 PolarHBondContact O-N 3.29Å
157I98.5Very high97.9Very high39 Ų3945.1 Ų45.120%0.225%0.249CC..Hα-helixtrans-72.4-43.4175.9-58.4169.3000110.7K117 V118 Y121 A153 S155 V159 T160 E161K117-I157 HydrophobicContact CB-CD1 3.92Å; K117-I157 HydrophobicContact CB-CG2 4.49Å; K117-I157 HydrophobicContact CD-CD1 4.42Å; V118-I157 HydrophobicContact CG2-CB 3.81Å; V118-I157 HydrophobicContact CG2-CG2 3.6Å; Y121-I157 HydrophobicContact CD2-CD1 4.08Å; Y121-I157 HydrophobicContact CE2-CD1 4.12Å; A153-I157 WeakPolarHBondContact O-CG1 3.38Å; A153-I157 PolarHBondContact O-N 3.03Å; S155-I157 VanDerWaalsContact C-N 3.3Å; S155-I157 PolarHBondContact O-N 2.79Å; I157-V159 VanDerWaalsContact C-N 3.3Å; I157-V159 PolarHBondContact O-N 3.44Å; I157-T160 PolarHBondContact O-N 3.34Å; I157-T160 PolarHBondContact O-OG1 3.01Å; I157-T160 VanDerWaalsContact O-OG1 3.11Å; I157-E161 HydrophobicContact CG2-CB 4.28Å; I157-E161 HydrophobicContact CG2-CG 3.8Å; I157-E161 WeakPolarHBondContact O-CB 3.43Å; I157-E161 WeakPolarHBondContact O-CG 3.33Å; I157-E161 PolarHBondContact O-N 3.42Å
158A98.5Very high97.9Very high2 Ų246.1 Ų46.12%0.01725%0.254CS..Hα-helixtrans-63.6-35-175.800000112.8V118 A154 S155 T160 L162 R169 L172V118-A158 HydrophobicContact CG1-CB 3.83Å; V118-A158 HydrophobicContact CG2-CB 3.81Å; A154-A158 WeakPolarHBondContact O-CB 3.29Å; A154-A158 PolarHBondContact O-N 3.44Å; S155-A158 PolarHBondContact O-N 3.31Å; A158-T160 VanDerWaalsContact C-N 3.28Å; A158-T160 PolarHBondContact O-N 3.45Å; A158-L162 HydrophobicContact CB-CD1 4.32Å; A158-L162 WeakPolarHBondContact O-CB 3.46Å; A158-L162 PolarHBondContact O-N 3.39Å; A158-L162 VanDerWaalsContact O-N 3.12Å; A158-R169 HydrophobicContact CB-CB 4.41Å; A158-R169 HydrophobicContact CB-CG 4.15Å; A158-L172 HydrophobicContact CB-CD2 3.99Å
159V97.4Very high97.8Very high94 Ų9446.4 Ų46.457%0.5725%0.253SS*.Hα-helixtrans-65.2-33.3179168.30000111.8S155 I157S155-V159 VanDerWaalsContact O-CG2 3.31Å; S155-V159 WeakPolarHBondContact O-CG2 3.48Å; S155-V159 PolarHBondContact O-N 2.93Å; I157-V159 VanDerWaalsContact C-N 3.3Å; I157-V159 PolarHBondContact O-N 3.44Å
160T96.5Very high97.8Very high109 Ų10940.8 Ų40.867%0.66922%0.224SC*.Hα-helixtrans-94.4-31.8-177.557.30000113.8I157 A158I157-T160 PolarHBondContact O-N 3.34Å; I157-T160 PolarHBondContact O-OG1 3.01Å; I157-T160 VanDerWaalsContact O-OG1 3.11Å; A158-T160 VanDerWaalsContact C-N 3.28Å; A158-T160 PolarHBondContact O-N 3.45Å
161E97.7Very high97.8Very high121 Ų12141.1 Ų41.157%0.56523%0.227SC*.Hα-helixtrans-103.4-19.2-170.1-63.2-75.2154.900113.8I157I157-E161 HydrophobicContact CG2-CB 4.28Å; I157-E161 HydrophobicContact CG2-CG 3.8Å; I157-E161 WeakPolarHBondContact O-CB 3.43Å; I157-E161 WeakPolarHBondContact O-CG 3.33Å; I157-E161 PolarHBondContact O-N 3.42Å
162L97Very high97.8Very high13 Ų1341.3 Ų41.37%0.06823%0.228CC..SBendtrans-125.9134.6-173.5-56.5178.6000111.5E115 V118 A158 H166 I168 R169E115-L162 HydrophobicContact CB-CD2 4.13Å; E115-L162 HydrophobicContact CG-CD2 4.42Å; V118-L162 HydrophobicContact CB-CD1 4.02Å; V118-L162 HydrophobicContact CG1-CD1 4.01Å; V118-L162 HydrophobicContact CG2-CD1 3.93Å; A158-L162 HydrophobicContact CB-CD1 4.32Å; A158-L162 WeakPolarHBondContact O-CB 3.46Å; A158-L162 PolarHBondContact O-N 3.39Å; A158-L162 VanDerWaalsContact O-N 3.12Å; L162-H166 HydrophobicContact CB-CB 4Å; L162-I168 HydrophobicContact CD1-CB 4.35Å; L162-I168 HydrophobicContact CD1-CG2 4.2Å; L162-R169 HydrophobicContact CB-CB 4.21Å; L162-R169 HydrophobicContact CD1-CB 4.27Å; L162-R169 PolarHBondContact O-NH1 2.94Å
163P96.4Very high97.8Very high62 Ų6236.9 Ų36.940%0.40321%0.211SC..  trans-63.1153.1174.826.1-32.4000111T165 H166 R169P163-T165 PolarHBondContact O-N 3.23Å; P163-T165 VanDerWaalsContact O-N 3.1Å; P163-H166 HydrophobicContact CG-CB 4.02Å; P163-H166 WeakPolarHBondContact O-CB 3.47Å; P163-H166 PolarHBondContact O-N 3.09Å; P163-R169 WeakPolarHBondContact O-CD 3.19Å
164P97.3Very high97.8Very high17 Ų1736.5 Ų36.511%0.1121%0.205CC..THydrogen-bonded Turntrans-52.2-31.9178.6-28.235.8000114.7H166 D200 E204P164-H166 VanDerWaalsContact C-N 3.31Å; P164-H166 PolarHBondContact O-N 3.34Å; P164-D200 HydrophobicContact CB-CB 3.91Å; P164-D200 HydrophobicContact CG-CB 4.41Å; P164-E204 WeakPolarHBondContact CD-OE2 3.23Å
165T96.5Very high97.8Very high5 Ų538 Ų383%0.03121%0.213CC..THydrogen-bonded Turntrans-81.2-517955.30000113.9P163 A201 E204 S216P163-T165 PolarHBondContact O-N 3.23Å; P163-T165 VanDerWaalsContact O-N 3.1Å; T165-A201 HydrophobicContact CG2-CB 4.43Å; T165-A201 WeakPolarHBondContact CG2-O 3.3Å; T165-E204 HydrophobicContact CG2-CB 3.95Å; T165-S216 WeakPolarHBondContact O-CB 3.25Å; T165-S216 PolarHBondContact O-OG 3.48Å
166H96.5Very high97.8Very high33 Ų3337.1 Ų37.115%0.15321%0.206CC..  trans-65.3129.3-176.4-164.3-85.2000111.8E115 L162 P163 P164 I168 R169 L170E115-H166 IonicContact OE2-CE1 3.78Å; E115-H166 IonicContact OE2-NE2 2.95Å; L162-H166 HydrophobicContact CB-CB 4Å; P163-H166 HydrophobicContact CG-CB 4.02Å; P163-H166 WeakPolarHBondContact O-CB 3.47Å; P163-H166 PolarHBondContact O-N 3.09Å; P164-H166 VanDerWaalsContact C-N 3.31Å; P164-H166 PolarHBondContact O-N 3.34Å; H166-I168 VanDerWaalsContact C-N 3.27Å; H166-I168 PolarHBondContact ND1-N 3.03Å; H166-I168 PolarHBondContact O-N 3.33Å; H166-I168 VanDerWaalsContact O-N 3.13Å; H166-R169 HydrophobicContact CB-CB 4.19Å; H166-R169 PolarHBondContact O-N 2.89Å; H166-L170 PolarHBondContact O-N 3.45Å
167P96.9Very high97.9Very high24 Ų2431.7 Ų31.716%0.15618%0.177CC..Hα-helixtrans-53.9-39.4-177.1-26.630.3000114.2G171 D215 S216 I219P167-G171 PolarHBondContact O-N 3.14Å; P167-D215 HydrophobicContact CB-CB 4.24Å; P167-D215 HydrophobicContact CG-CB 4.18Å; P167-S216 WeakPolarHBondContact CG-OG 3.47Å; P167-I219 HydrophobicContact CB-CD1 4.16Å; P167-I219 VanDerWaalsContact O-CD1 3.31Å; P167-I219 WeakPolarHBondContact O-CD1 3.17Å
168I97.9Very high97.9Very high21 Ų2130.7 Ų30.711%0.10817%0.173CC..Hα-helixtrans-67.7-38.7178.7-67.8172.9000112E115 V118 F119 L162 H166 G171 L172E115-I168 HydrophobicContact CG-CD1 3.45Å; E115-I168 VanDerWaalsContact CG-CD1 3.45Å; V118-I168 HydrophobicContact CB-CG2 4.1Å; V118-I168 HydrophobicContact CG1-CG2 3.59Å; F119-I168 HydrophobicContact CB-CD1 4.33Å; F119-I168 HydrophobicContact CB-CG2 4.49Å; F119-I168 HydrophobicContact CD2-CD1 3.75Å; F119-I168 HydrophobicContact CD2-CG1 4.13Å; L162-I168 HydrophobicContact CD1-CB 4.35Å; L162-I168 HydrophobicContact CD1-CG2 4.2Å; H166-I168 VanDerWaalsContact C-N 3.27Å; H166-I168 PolarHBondContact ND1-N 3.03Å; H166-I168 PolarHBondContact O-N 3.33Å; H166-I168 VanDerWaalsContact O-N 3.13Å; I168-G171 PolarHBondContact O-N 3.37Å; I168-L172 WeakPolarHBondContact O-CB 3.27Å; I168-L172 PolarHBondContact O-N 2.98Å
169R98.3Very high97.9Very high44 Ų4430.6 Ų30.617%0.16617%0.172CC..Hα-helixtrans-69.3-44.7178.3177.9173.6170.5172.2-5.6110.8A158 L162 P163 H166 L172 A173A158-R169 HydrophobicContact CB-CB 4.41Å; A158-R169 HydrophobicContact CB-CG 4.15Å; L162-R169 HydrophobicContact CB-CB 4.21Å; L162-R169 HydrophobicContact CD1-CB 4.27Å; L162-R169 PolarHBondContact O-NH1 2.94Å; P163-R169 WeakPolarHBondContact O-CD 3.19Å; H166-R169 HydrophobicContact CB-CB 4.19Å; H166-R169 PolarHBondContact O-N 2.89Å; R169-L172 WeakPolarHBondContact O-CB 3.5Å; R169-L172 PolarHBondContact O-N 3.43Å; R169-A173 PolarHBondContact O-N 3.33Å
170L98.5Very high97.9Very high1 Ų127.4 Ų27.41%0.00515%0.15CC..Hα-helixtrans-60.1-45.9173.1-74.8171.3000111.7H166 L172 A173 L174 A201 I219 M220 L223H166-L170 PolarHBondContact O-N 3.45Å; L170-L172 VanDerWaalsContact C-N 3.29Å; L170-L172 PolarHBondContact O-N 2.93Å; L170-A173 PolarHBondContact O-N 2.97Å; L170-L174 PolarHBondContact O-N 2.91Å; L170-A201 HydrophobicContact CD2-CB 3.71Å; L170-I219 HydrophobicContact CB-CB 4.16Å; L170-I219 HydrophobicContact CB-CD1 4.44Å; L170-I219 HydrophobicContact CB-CG2 3.63Å; L170-M220 HydrophobicContact CD1-CG 3.91Å; L170-M220 HydrophobicContact CD1-SD 4.41Å; L170-M220 HydrophobicContact CD2-CG 4.05Å; L170-L223 HydrophobicContact CD2-CD1 3.98Å
171G98.5Very high98Very high9 Ų924.8 Ų24.89%0.09313%0.128CC..Hα-helixtrans-63.7-33.917800000112.8K122 P167 I168 N175K122-G171 WeakPolarHBondContact CE-O 3.36Å; P167-G171 PolarHBondContact O-N 3.14Å; I168-G171 PolarHBondContact O-N 3.37Å; G171-N175 PolarHBondContact O-N 3.01Å; G171-N175 VanDerWaalsContact O-N 3.09Å
172L98.8Very high98Very high4 Ų423.7 Ų23.72%0.02112%0.123CC..Hα-helixtrans-63.1-49.6171.4169.463.4000111V118 K122 Y151 A154 A158 I168 R169 L170 L174 N175 F176V118-L172 HydrophobicContact CG1-CD2 4.09Å; K122-L172 HydrophobicContact CB-CD1 4.04Å; K122-L172 HydrophobicContact CD-CB 4.07Å; K122-L172 HydrophobicContact CG-CB 4.29Å; K122-L172 HydrophobicContact CG-CD1 3.99Å; Y151-L172 HydrophobicContact CD1-CD1 3.65Å; Y151-L172 HydrophobicContact CE1-CD1 4.35Å; A154-L172 HydrophobicContact CB-CD1 3.7Å; A154-L172 HydrophobicContact CB-CD2 3.63Å; A154-L172 HydrophobicContact CB-CG 4.32Å; A158-L172 HydrophobicContact CB-CD2 3.99Å; I168-L172 WeakPolarHBondContact O-CB 3.27Å; I168-L172 PolarHBondContact O-N 2.98Å; R169-L172 WeakPolarHBondContact O-CB 3.5Å; R169-L172 PolarHBondContact O-N 3.43Å; L170-L172 VanDerWaalsContact C-N 3.29Å; L170-L172 PolarHBondContact O-N 2.93Å; L172-L174 VanDerWaalsContact C-N 3.31Å; L172-L174 PolarHBondContact O-N 3.01Å; L172-N175 PolarHBondContact O-N 3.43Å; L172-F176 WeakPolarHBondContact O-CB 3.06Å; L172-F176 PolarHBondContact O-N 3.44Å
173A98.8Very high98Very high9 Ų923.8 Ų23.87%0.07412%0.123CC..Hα-helixtrans-60.7-41178.400000112.2R169 L170 S177 A197R169-A173 PolarHBondContact O-N 3.33Å; L170-A173 PolarHBondContact O-N 2.97Å; A173-S177 VanDerWaalsContact O-CB 3.29Å; A173-S177 WeakPolarHBondContact O-CB 3.46Å; A173-S177 PolarHBondContact O-N 3.09Å; A173-S177 PolarHBondContact O-OG 3.37Å; A173-A197 HydrophobicContact CB-CB 3.36Å
174L98.7Very high98.1Very high20 Ų2023.5 Ų23.511%0.10512%0.118CC..Hα-helixtrans-58-52175.1177.864.2000111.3L170 L172 S177 V178 I219 L222 L223 N226L170-L174 PolarHBondContact O-N 2.91Å; L172-L174 VanDerWaalsContact C-N 3.31Å; L172-L174 PolarHBondContact O-N 3.01Å; L174-S177 PolarHBondContact O-OG 3.47Å; L174-V178 VanDerWaalsContact O-CG2 3.31Å; L174-V178 WeakPolarHBondContact O-CG2 3.34Å; L174-V178 PolarHBondContact O-N 2.99Å; L174-I219 HydrophobicContact CB-CG2 4.24Å; L174-I219 HydrophobicContact CD2-CG2 4.16Å; L174-L222 HydrophobicContact CD1-CB 4.07Å; L174-L222 HydrophobicContact CD2-CB 3.95Å; L174-L222 HydrophobicContact CD2-CD1 3.91Å; L174-L223 HydrophobicContact CB-CD2 3.94Å; L174-L223 HydrophobicContact CB-CG 4.24Å; L174-L223 HydrophobicContact CD1-CD2 4.03Å; L174-L223 HydrophobicContact CD1-CG 4.21Å; L174-N226 VanDerWaalsContact CD1-ND2 3.3Å; L174-N226 WeakPolarHBondContact CD1-ND2 3.1Å
175N98.7Very high98.1Very high32 Ų3229 Ų2917%0.17115%0.147CC..Hα-helixtrans-72.8-35.2-176.2-7610.6000112.9K122 D126 Y151 G171 L172 V178 F179K122-N175 PolarHBondContact NZ-ND2 2.65Å; D126-N175 VanDerWaalsContact OD1-CB 3.27Å; D126-N175 WeakPolarHBondContact OD1-CB 3.21Å; D126-N175 PolarHBondContact OD1-ND2 2.94Å; D126-N175 PolarHBondContact OD2-ND2 2.95Å; Y151-N175 HydrophobicContact CE1-CB 4.25Å; G171-N175 PolarHBondContact O-N 3.01Å; G171-N175 VanDerWaalsContact O-N 3.09Å; L172-N175 PolarHBondContact O-N 3.43Å; N175-V178 PolarHBondContact O-N 3.46Å; N175-F179 PolarHBondContact O-N 2.76Å
176F98.8Very high98.1Very high7 Ų730.3 Ų30.33%0.03116%0.156CC..Hα-helixtrans-73.4-33.1179.1-169.6-168000112L148 Y151 K152 L172 F179 Y180 L193L148-F176 HydrophobicContact CD1-CE2 3.75Å; L148-F176 HydrophobicContact CD1-CZ 3.76Å; Y151-F176 VanDerWaalsContact CB-CD2 3.49Å; Y151-F176 HydrophobicContact CD1-CB 4.04Å; Y151-F176 HydrophobicContact CD1-CD2 4.49Å; Y151-F176 HydrophobicContact CD1-CG 4.29Å; Y151-F176 HydrophobicContact CD2-CB 4.37Å; Y151-F176 AromaticContact CD2-CD2 3.49Å; Y151-F176 HydrophobicContact CD2-CD2 3.49Å; Y151-F176 VanDerWaalsContact CD2-CD2 3.49Å; Y151-F176 AromaticContact CD2-CE2 3.95Å; Y151-F176 HydrophobicContact CD2-CE2 3.95Å; Y151-F176 HydrophobicContact CD2-CG 4.1Å; Y151-F176 HydrophobicContact CE1-CB 4.46Å; Y151-F176 HydrophobicContact CE2-CD2 4.3Å; Y151-F176 HydrophobicContact CG-CB 4Å; Y151-F176 HydrophobicContact CG-CD1 4.36Å; Y151-F176 AromaticContact CG-CD2 3.6Å; Y151-F176 HydrophobicContact CG-CD2 3.6Å; Y151-F176 HydrophobicContact CG-CE2 4.09Å; Y151-F176 AromaticContact CG-CG 3.76Å; Y151-F176 HydrophobicContact CG-CG 3.76Å; K152-F176 HydrophobicContact CG-CE1 4.43Å; K152-F176 HydrophobicContact CG-CZ 4.08Å; L172-F176 WeakPolarHBondContact O-CB 3.06Å; L172-F176 PolarHBondContact O-N 3.44Å; F176-F179 HydrophobicContact CD2-CB 4.27Å; F176-F179 AromaticContact CD2-CD1 3.76Å; F176-F179 HydrophobicContact CD2-CD1 3.76Å; F176-F179 HydrophobicContact CD2-CG 4.4Å; F176-F179 AromaticContact CE2-CD1 3.72Å; F176-F179 HydrophobicContact CE2-CD1 3.72Å; F176-F179 HydrophobicContact CE2-CE1 4.15Å; F176-F179 WeakPolarHBondContact O-CB 3.24Å; F176-F179 PolarHBondContact O-N 3.49Å; F176-Y180 HydrophobicContact CD1-CE2 4.24Å; F176-Y180 AromaticContact CD2-CD2 3.95Å; F176-Y180 HydrophobicContact CD2-CD2 3.95Å; F176-Y180 AromaticContact CD2-CE2 3.65Å; F176-Y180 HydrophobicContact CD2-CE2 3.65Å; F176-Y180 AromaticContact CE1-CE2 3.97Å; F176-Y180 HydrophobicContact CE1-CE2 3.97Å; F176-Y180 HydrophobicContact CE2-CD2 4Å; F176-Y180 HydrophobicContact CE2-CE1 4.29Å; F176-Y180 AromaticContact CE2-CE2 3.33Å; F176-Y180 HydrophobicContact CE2-CE2 3.33Å; F176-Y180 AromaticContact CE2-CZ 3.5Å; F176-Y180 VanDerWaalsContact CE2-CZ 3.5Å; F176-Y180 HydrophobicContact CG-CD2 4.45Å; F176-Y180 HydrophobicContact CG-CE2 4.1Å; F176-Y180 AromaticContact CZ-CE2 3.52Å; F176-Y180 HydrophobicContact CZ-CE2 3.52Å; F176-Y180 AromaticContact CZ-CZ 3.56Å; F176-Y180 WeakPolarHBondContact CZ-OH 3.42Å; F176-Y180 VanDerWaalsContact O-CD2 3.27Å; F176-Y180 WeakPolarHBondContact O-CD2 3.43Å; F176-Y180 PolarHBondContact O-N 2.98Å; F176-L193 HydrophobicContact CB-CD2 3.77Å; F176-L193 HydrophobicContact CD1-CD2 3.62Å; F176-L193 HydrophobicContact CE1-CD2 4.42Å; F176-L193 HydrophobicContact CG-CD2 3.71Å
177S98.7Very high98Very high0 Ų030 Ų300%016%0.157CC..Hα-helixtrans-65.7-42.1171.159.20000111.6A173 L174 F179 Y180 Y181 A190A173-S177 VanDerWaalsContact O-CB 3.29Å; A173-S177 WeakPolarHBondContact O-CB 3.46Å; A173-S177 PolarHBondContact O-N 3.09Å; A173-S177 PolarHBondContact O-OG 3.37Å; L174-S177 PolarHBondContact O-OG 3.47Å; S177-F179 VanDerWaalsContact C-N 3.29Å; S177-F179 PolarHBondContact O-N 2.91Å; S177-Y180 PolarHBondContact O-N 3.05Å; S177-Y180 VanDerWaalsContact O-N 3.14Å; S177-Y181 PolarHBondContact O-N 3.23Å; S177-A190 WeakPolarHBondContact CB-O 3.31Å; S177-A190 WeakPolarHBondContact O-CB 3.4Å
178V98.5Very high98Very high18 Ų1834.2 Ų34.211%0.10918%0.178CC..Hα-helixtrans-58.3-41.1171.9172.90000111.4L174 N175 Y181 E182 W230L174-V178 VanDerWaalsContact O-CG2 3.31Å; L174-V178 WeakPolarHBondContact O-CG2 3.34Å; L174-V178 PolarHBondContact O-N 2.99Å; N175-V178 PolarHBondContact O-N 3.46Å; V178-Y181 PolarHBondContact O-N 2.96Å; V178-E182 VanDerWaalsContact CG1-CD 3.46Å; V178-E182 HydrophobicContact CG1-CG 3.99Å; V178-E182 WeakPolarHBondContact CG1-OE2 3.44Å; V178-E182 WeakPolarHBondContact O-CB 3.29Å; V178-E182 PolarHBondContact O-N 3.37Å; V178-W230 HydrophobicContact CG2-CH2 3.95Å; V178-W230 HydrophobicContact CG2-CZ2 3.95Å
179F98.8Very high98Very high0 Ų040.2 Ų40.20%020%0.199CC..Hα-helixtrans-58.7-47.7173.5170.2-101000112.8R129 A144 S147 L148 Y151 N175 F176 S177 Y181 I183 L184R129-F179 HydrophobicContact CB-CD2 4.18Å; R129-F179 HydrophobicContact CG-CD2 4.27Å; A144-F179 WeakPolarHBondContact O-CZ 3.25Å; S147-F179 WeakPolarHBondContact OG-CD2 3.3Å; S147-F179 VanDerWaalsContact OG-CE2 3.23Å; S147-F179 WeakPolarHBondContact OG-CE2 3.49Å; L148-F179 HydrophobicContact CB-CE1 3.95Å; L148-F179 HydrophobicContact CB-CZ 3.96Å; L148-F179 HydrophobicContact CD1-CE1 4Å; Y151-F179 HydrophobicContact CD2-CB 4.15Å; Y151-F179 HydrophobicContact CD2-CD1 4.19Å; Y151-F179 HydrophobicContact CD2-CG 4.04Å; Y151-F179 HydrophobicContact CE2-CB 3.62Å; Y151-F179 HydrophobicContact CE2-CD1 4.41Å; Y151-F179 HydrophobicContact CE2-CD2 4.15Å; Y151-F179 AromaticContact CE2-CG 3.8Å; Y151-F179 HydrophobicContact CE2-CG 3.8Å; N175-F179 PolarHBondContact O-N 2.76Å; F176-F179 HydrophobicContact CD2-CB 4.27Å; F176-F179 AromaticContact CD2-CD1 3.76Å; F176-F179 HydrophobicContact CD2-CD1 3.76Å; F176-F179 HydrophobicContact CD2-CG 4.4Å; F176-F179 AromaticContact CE2-CD1 3.72Å; F176-F179 HydrophobicContact CE2-CD1 3.72Å; F176-F179 HydrophobicContact CE2-CE1 4.15Å; F176-F179 WeakPolarHBondContact O-CB 3.24Å; F176-F179 PolarHBondContact O-N 3.49Å; S177-F179 VanDerWaalsContact C-N 3.29Å; S177-F179 PolarHBondContact O-N 2.91Å; F179-Y181 VanDerWaalsContact C-N 3.27Å; F179-Y181 PolarHBondContact O-N 3.4Å; F179-I183 HydrophobicContact CD2-CB 3.74Å; F179-I183 HydrophobicContact CD2-CG1 3.74Å; F179-I183 HydrophobicContact CD2-CG2 4.17Å; F179-I183 HydrophobicContact CE2-CB 3.75Å; F179-I183 HydrophobicContact CE2-CG1 4.14Å; F179-I183 HydrophobicContact CE2-CG2 3.69Å; F179-I183 HydrophobicContact CZ-CG2 4.48Å; F179-I183 WeakPolarHBondContact O-CB 3.39Å; F179-I183 PolarHBondContact O-N 3.3Å; F179-L184 HydrophobicContact CD1-CD1 4.21Å; F179-L184 HydrophobicContact CD1-CG 4.34Å; F179-L184 HydrophobicContact CE1-CD1 3.35Å; F179-L184 HydrophobicContact CE1-CD2 4.33Å; F179-L184 HydrophobicContact CE1-CG 3.59Å; F179-L184 HydrophobicContact CE2-CG 4.44Å; F179-L184 HydrophobicContact CZ-CD1 3.81Å; F179-L184 HydrophobicContact CZ-CD2 3.93Å; F179-L184 HydrophobicContact CZ-CG 3.64Å; F179-L184 PolarHBondContact O-N 3.49Å
180Y98.6Very high98Very high27 Ų2738.1 Ų38.111%0.10619%0.191CC..Hα-helixtrans-59.6-41.1177.4-81.9-60000111.8L148 F176 S177 L184 N185 S186 R189 L193L148-Y180 HydrophobicContact CD1-CE1 4.28Å; F176-Y180 HydrophobicContact CD1-CE2 4.24Å; F176-Y180 AromaticContact CD2-CD2 3.95Å; F176-Y180 HydrophobicContact CD2-CD2 3.95Å; F176-Y180 AromaticContact CD2-CE2 3.65Å; F176-Y180 HydrophobicContact CD2-CE2 3.65Å; F176-Y180 AromaticContact CE1-CE2 3.97Å; F176-Y180 HydrophobicContact CE1-CE2 3.97Å; F176-Y180 HydrophobicContact CE2-CD2 4Å; F176-Y180 HydrophobicContact CE2-CE1 4.29Å; F176-Y180 AromaticContact CE2-CE2 3.33Å; F176-Y180 HydrophobicContact CE2-CE2 3.33Å; F176-Y180 AromaticContact CE2-CZ 3.5Å; F176-Y180 VanDerWaalsContact CE2-CZ 3.5Å; F176-Y180 HydrophobicContact CG-CD2 4.45Å; F176-Y180 HydrophobicContact CG-CE2 4.1Å; F176-Y180 AromaticContact CZ-CE2 3.52Å; F176-Y180 HydrophobicContact CZ-CE2 3.52Å; F176-Y180 AromaticContact CZ-CZ 3.56Å; F176-Y180 WeakPolarHBondContact CZ-OH 3.42Å; F176-Y180 VanDerWaalsContact O-CD2 3.27Å; F176-Y180 WeakPolarHBondContact O-CD2 3.43Å; F176-Y180 PolarHBondContact O-N 2.98Å; S177-Y180 PolarHBondContact O-N 3.05Å; S177-Y180 VanDerWaalsContact O-N 3.14Å; Y180-L184 HydrophobicContact CD1-CB 4.49Å; Y180-L184 HydrophobicContact CD1-CD1 3.72Å; Y180-L184 HydrophobicContact CE1-CD1 3.82Å; Y180-L184 CarbonylContact O-C 3.43Å; Y180-N185 PolarHBondContact O-N 3.1Å; Y180-S186 PolarHBondContact O-N 3.29Å; Y180-R189 HydrophobicContact CD1-CB 3.82Å; Y180-R189 HydrophobicContact CD2-CB 4.31Å; Y180-R189 HydrophobicContact CE1-CB 4.25Å; Y180-R189 HydrophobicContact CG-CB 3.87Å; Y180-L193 HydrophobicContact CD2-CD2 4.04Å; Y180-L193 HydrophobicContact CE2-CD2 3.97Å
181Y98.3Very high97.9Very high53 Ų5339 Ų3921%0.20820%0.197CC..Hα-helixtrans-69.5-60.6179.3-171.6-93.4000111.5S177 V178 F179 N185 P187 W230 D233S177-Y181 PolarHBondContact O-N 3.23Å; V178-Y181 PolarHBondContact O-N 2.96Å; F179-Y181 VanDerWaalsContact C-N 3.27Å; F179-Y181 PolarHBondContact O-N 3.4Å; Y181-N185 WeakPolarHBondContact O-CA 3.41Å; Y181-N185 PolarHBondContact O-N 3.3Å; Y181-P187 HydrophobicContact CD2-CB 4.05Å; Y181-P187 HydrophobicContact CE2-CB 4.16Å; Y181-W230 AromaticContact CD1-CD1 3.91Å; Y181-W230 AromaticContact CD1-CE2 4Å; Y181-W230 AromaticContact CD1-NE1 3.46Å; Y181-W230 HydrophobicContact CD2-CB 4Å; Y181-W230 AromaticContact CD2-CD1 3.43Å; Y181-W230 VanDerWaalsContact CD2-CD1 3.43Å; Y181-W230 AromaticContact CD2-CD2 3.75Å; Y181-W230 HydrophobicContact CD2-CD2 3.75Å; Y181-W230 AromaticContact CD2-CE2 3.88Å; Y181-W230 AromaticContact CD2-CG 3.46Å; Y181-W230 HydrophobicContact CD2-CG 3.46Å; Y181-W230 VanDerWaalsContact CD2-CG 3.46Å; Y181-W230 AromaticContact CD2-NE1 3.66Å; Y181-W230 AromaticContact CE1-CD1 3.7Å; Y181-W230 AromaticContact CE1-NE1 3.59Å; Y181-W230 HydrophobicContact CE2-CB 3.77Å; Y181-W230 AromaticContact CE2-CD1 3.17Å; Y181-W230 HydrophobicContact CE2-CD2 4.23Å; Y181-W230 AromaticContact CE2-CG 3.45Å; Y181-W230 HydrophobicContact CE2-CG 3.45Å; Y181-W230 VanDerWaalsContact CE2-CG 3.45Å; Y181-W230 AromaticContact CE2-NE1 3.78Å; Y181-W230 AromaticContact CG-CD1 3.8Å; Y181-W230 HydrophobicContact CG-CD2 4.02Å; Y181-W230 AromaticContact CG-CE2 3.66Å; Y181-W230 HydrophobicContact CG-CG 4.09Å; Y181-W230 HydrophobicContact CG-CZ2 4.18Å; Y181-W230 AromaticContact CG-NE1 3.51Å; Y181-W230 AromaticContact CZ-CD1 3.32Å; Y181-W230 AromaticContact CZ-NE1 3.75Å; Y181-D233 PolarHBondContact OH-OD2 2.96Å
182E96.8Very high97.9Very high99 Ų9943.4 Ų43.446%0.46322%0.219SC..Hα-helixtrans-79.4-31.6-168.3-63.1-176.6164.100114.1V178V178-E182 VanDerWaalsContact CG1-CD 3.46Å; V178-E182 HydrophobicContact CG1-CG 3.99Å; V178-E182 WeakPolarHBondContact CG1-OE2 3.44Å; V178-E182 WeakPolarHBondContact O-CB 3.29Å; V178-E182 PolarHBondContact O-N 3.37Å
183I98.3Very high97.9Very high15 Ų1545.4 Ų45.48%0.07723%0.229CC..THydrogen-bonded Turntrans-104.3-45.3-171.9-51.7-61.4000112R129 A132 E133 R140 A144 F179R129-I183 HydrophobicContact CG-CD1 4.14Å; R129-I183 HydrophobicContact CG-CG1 3.82Å; A132-I183 HydrophobicContact CB-CD1 4.26Å; A132-I183 HydrophobicContact CB-CG2 3.84Å; E133-I183 HydrophobicContact CG-CD1 3.91Å; R140-I183 PolarHBondContact NH2-O 2.95Å; A144-I183 HydrophobicContact CB-CG2 3.83Å; F179-I183 HydrophobicContact CD2-CB 3.74Å; F179-I183 HydrophobicContact CD2-CG1 3.74Å; F179-I183 HydrophobicContact CD2-CG2 4.17Å; F179-I183 HydrophobicContact CE2-CB 3.75Å; F179-I183 HydrophobicContact CE2-CG1 4.14Å; F179-I183 HydrophobicContact CE2-CG2 3.69Å; F179-I183 HydrophobicContact CZ-CG2 4.48Å; F179-I183 WeakPolarHBondContact O-CB 3.39Å; F179-I183 PolarHBondContact O-N 3.3Å
184L97.8Very high97.8Very high55 Ų5545 Ų4529%0.28823%0.225SC..THydrogen-bonded Turntrans-91.8-1.5-179.7-62.7-170.9000113.7A144 F179 Y180 S186A144-L184 HydrophobicContact CB-CD2 4.48Å; F179-L184 HydrophobicContact CD1-CD1 4.21Å; F179-L184 HydrophobicContact CD1-CG 4.34Å; F179-L184 HydrophobicContact CE1-CD1 3.35Å; F179-L184 HydrophobicContact CE1-CD2 4.33Å; F179-L184 HydrophobicContact CE1-CG 3.59Å; F179-L184 HydrophobicContact CE2-CG 4.44Å; F179-L184 HydrophobicContact CZ-CD1 3.81Å; F179-L184 HydrophobicContact CZ-CD2 3.93Å; F179-L184 HydrophobicContact CZ-CG 3.64Å; F179-L184 PolarHBondContact O-N 3.49Å; Y180-L184 HydrophobicContact CD1-CB 4.49Å; Y180-L184 HydrophobicContact CD1-CD1 3.72Å; Y180-L184 HydrophobicContact CE1-CD1 3.82Å; Y180-L184 CarbonylContact O-C 3.43Å; L184-S186 PolarHBondContact O-N 2.9Å; L184-S186 VanDerWaalsContact O-N 3.13Å; L184-S186 PolarHBondContact O-OG 3.41Å
185N96.5Very high97.8Very high134 Ų13449.5 Ų49.572%0.71724%0.244SC*.  trans47.244.2-178.7-166.149.4000112Y180 Y181 P187Y180-N185 PolarHBondContact O-N 3.1Å; Y181-N185 WeakPolarHBondContact O-CA 3.41Å; Y181-N185 PolarHBondContact O-N 3.3Å; N185-P187 VanDerWaalsContact C-CD 3.42Å; N185-P187 WeakPolarHBondContact O-CD 3.32Å
186S97Very high97.8Very high31 Ų3151.6 Ų51.622%0.21726%0.258CS..  trans-121.668.7-173-65.50000109.8Y180 L184 D188 R189 A190Y180-S186 PolarHBondContact O-N 3.29Å; L184-S186 PolarHBondContact O-N 2.9Å; L184-S186 VanDerWaalsContact O-N 3.13Å; L184-S186 PolarHBondContact O-OG 3.41Å; S186-D188 VanDerWaalsContact C-N 3.28Å; S186-D188 PolarHBondContact O-N 3.29Å; S186-R189 PolarHBondContact O-N 2.9Å; S186-R189 VanDerWaalsContact O-N 3.1Å; S186-A190 PolarHBondContact O-N 3.02Å
187P96.1Very high97.8Very high27 Ų2752 Ų5218%0.17526%0.263CS..Hα-helixtrans-58.1-37.7-175.523.5-33.9000112.6Y181 N185 R189 A190 C191 V234Y181-P187 HydrophobicContact CD2-CB 4.05Å; Y181-P187 HydrophobicContact CE2-CB 4.16Å; N185-P187 VanDerWaalsContact C-CD 3.42Å; N185-P187 WeakPolarHBondContact O-CD 3.32Å; P187-R189 VanDerWaalsContact C-N 3.31Å; P187-R189 PolarHBondContact O-N 3.02Å; P187-A190 WeakPolarHBondContact O-CB 3.4Å; P187-A190 PolarHBondContact O-N 3.4Å; P187-A190 VanDerWaalsContact O-N 3.16Å; P187-C191 WeakPolarHBondContact O-CB 3.38Å; P187-C191 PolarHBondContact O-N 3.03Å; P187-C191 PolarHBondContact O-SG 2.84Å; P187-C191 VanDerWaalsContact O-SG 3.4Å; P187-V234 HydrophobicContact CB-CG2 3.82Å; P187-V234 HydrophobicContact CG-CG2 4.12Å
188D95.8Very high97.7Very high112 Ų11253.7 Ų53.760%0.59927%0.271SS*.Hα-helixtrans-58.6-43.4176.8-57.9-50.9000112.2S186 N192S186-D188 VanDerWaalsContact C-N 3.28Å; S186-D188 PolarHBondContact O-N 3.29Å; D188-N192 VanDerWaalsContact O-CB 3.24Å; D188-N192 WeakPolarHBondContact O-CB 3.14Å; D188-N192 PolarHBondContact O-N 3.16Å; D188-N192 PolarHBondContact O-ND2 3.34Å
189R97.5Very high97.7Very high148 Ų14856.4 Ų56.456%0.55829%0.285SS*.Hα-helixtrans-69.7-38.6178.1-67.3-173.4-179.5-179.52.1111.5Y180 S186 P187 L193Y180-R189 HydrophobicContact CD1-CB 3.82Å; Y180-R189 HydrophobicContact CD2-CB 4.31Å; Y180-R189 HydrophobicContact CE1-CB 4.25Å; Y180-R189 HydrophobicContact CG-CB 3.87Å; S186-R189 PolarHBondContact O-N 2.9Å; S186-R189 VanDerWaalsContact O-N 3.1Å; P187-R189 VanDerWaalsContact C-N 3.31Å; P187-R189 PolarHBondContact O-N 3.02Å; R189-L193 WeakPolarHBondContact O-CB 3.26Å; R189-L193 PolarHBondContact O-N 2.91Å
190A98Very high97.7Very high0 Ų059.5 Ų59.50%030%0.301CS..Hα-helixtrans-61.3-50.817600000111.1S177 S186 P187 L193 A194 W230S177-A190 WeakPolarHBondContact CB-O 3.31Å; S177-A190 WeakPolarHBondContact O-CB 3.4Å; S186-A190 PolarHBondContact O-N 3.02Å; P187-A190 WeakPolarHBondContact O-CB 3.4Å; P187-A190 PolarHBondContact O-N 3.4Å; P187-A190 VanDerWaalsContact O-N 3.16Å; A190-L193 PolarHBondContact O-N 2.71Å; A190-A194 WeakPolarHBondContact O-CB 3.48Å; A190-A194 PolarHBondContact O-N 3.47Å; A190-W230 HydrophobicContact CB-CE3 3.99Å; A190-W230 HydrophobicContact CB-CZ3 3.91Å
191C97.8Very high97.6Very high20 Ų2058.2 Ų58.214%0.13530%0.296CS..Hα-helixtrans-64.2-45.4179.1-69.70000112P187 L193 A194 K195 L227P187-C191 WeakPolarHBondContact O-CB 3.38Å; P187-C191 PolarHBondContact O-N 3.03Å; P187-C191 PolarHBondContact O-SG 2.84Å; P187-C191 VanDerWaalsContact O-SG 3.4Å; C191-L193 PolarHBondContact O-N 2.91Å; C191-A194 PolarHBondContact O-N 3.19Å; C191-K195 WeakPolarHBondContact O-CB 3.49Å; C191-K195 PolarHBondContact O-N 3.28Å; C191-L227 HydrophobicContact CB-CD2 4.08Å; C191-L227 VanDerWaalsContact O-CD2 3.32Å; C191-L227 WeakPolarHBondContact O-CD2 3.31Å
192N97.8Very high97.5Very high101 Ų10159.7 Ų59.754%0.5431%0.307SS..Hα-helixtrans-59.6-46.6177.6-74.4-29.5000111.6D188 K195 T196D188-N192 VanDerWaalsContact O-CB 3.24Å; D188-N192 WeakPolarHBondContact O-CB 3.14Å; D188-N192 PolarHBondContact O-N 3.16Å; D188-N192 PolarHBondContact O-ND2 3.34Å; N192-K195 PolarHBondContact O-N 3.39Å; N192-T196 WeakPolarHBondContact O-CB 3.26Å; N192-T196 PolarHBondContact O-N 2.84Å; N192-T196 PolarHBondContact O-OG1 3.23Å; N192-T196 VanDerWaalsContact O-OG1 3.07Å
193L98.4Very high97.5Very high45 Ų4559 Ų5924%0.23632%0.318CS..Hα-helixtrans-64.1-47.3179.117962000112.3F176 Y180 R189 A190 C191 K195 A197F176-L193 HydrophobicContact CB-CD2 3.77Å; F176-L193 HydrophobicContact CD1-CD2 3.62Å; F176-L193 HydrophobicContact CE1-CD2 4.42Å; F176-L193 HydrophobicContact CG-CD2 3.71Å; Y180-L193 HydrophobicContact CD2-CD2 4.04Å; Y180-L193 HydrophobicContact CE2-CD2 3.97Å; R189-L193 WeakPolarHBondContact O-CB 3.26Å; R189-L193 PolarHBondContact O-N 2.91Å; A190-L193 PolarHBondContact O-N 2.71Å; C191-L193 PolarHBondContact O-N 2.91Å; L193-K195 VanDerWaalsContact C-N 3.33Å; L193-K195 PolarHBondContact O-N 3.29Å; L193-A197 WeakPolarHBondContact O-CB 3.27Å; L193-A197 PolarHBondContact O-N 3.42Å; L193-A197 VanDerWaalsContact O-N 3.08Å
194A98.2Very high97.4Very high0 Ų062.1 Ų62.10%033%0.332CS..Hα-helixtrans-64.5-39.3-179.800000111.8A190 C191 F198 L223 L227 W230A190-A194 WeakPolarHBondContact O-CB 3.48Å; A190-A194 PolarHBondContact O-N 3.47Å; C191-A194 PolarHBondContact O-N 3.19Å; A194-F198 WeakPolarHBondContact O-CB 3.37Å; A194-F198 PolarHBondContact O-N 3.06Å; A194-L223 HydrophobicContact CB-CD2 3.83Å; A194-L227 HydrophobicContact CB-CD1 4.31Å; A194-L227 HydrophobicContact CB-CD2 3.82Å; A194-L227 HydrophobicContact CB-CG 3.88Å; A194-W230 HydrophobicContact CB-CZ3 4.38Å
195K97.9Very high97.1Very high115 Ų11561.5 Ų61.550%0.533%0.329SS..Hα-helixtrans-66.4-49.7177.7-177.8172.7-178.21730111.8C191 N192 L193 A197 F198 D199 L227C191-K195 WeakPolarHBondContact O-CB 3.49Å; C191-K195 PolarHBondContact O-N 3.28Å; N192-K195 PolarHBondContact O-N 3.39Å; L193-K195 VanDerWaalsContact C-N 3.33Å; L193-K195 PolarHBondContact O-N 3.29Å; K195-A197 VanDerWaalsContact C-N 3.32Å; K195-A197 PolarHBondContact O-N 2.86Å; K195-F198 PolarHBondContact O-N 3.24Å; K195-F198 VanDerWaalsContact O-N 3.17Å; K195-D199 WeakPolarHBondContact CE-OD2 3.38Å; K195-D199 WeakPolarHBondContact CG-OD2 3.28Å; K195-D199 WeakPolarHBondContact O-CB 3.37Å; K195-D199 VanDerWaalsContact O-CG 3.31Å; K195-D199 PolarHBondContact O-N 3.16Å; K195-L227 HydrophobicContact CB-CD1 4.2Å; K195-L227 HydrophobicContact CB-CD2 4.1Å
196T98.4Very high96.9Very high76 Ų7663.3 Ų63.347%0.46634%0.338SS..Hα-helixtrans-57.2-46.4177.1-63.30000111.2N192 F198 D199 D200N192-T196 WeakPolarHBondContact O-CB 3.26Å; N192-T196 PolarHBondContact O-N 2.84Å; N192-T196 PolarHBondContact O-OG1 3.23Å; N192-T196 VanDerWaalsContact O-OG1 3.07Å; T196-F198 VanDerWaalsContact C-N 3.32Å; T196-F198 PolarHBondContact O-N 2.92Å; T196-D199 PolarHBondContact O-N 2.88Å; T196-D200 WeakPolarHBondContact O-CB 3.34Å; T196-D200 PolarHBondContact O-N 2.97Å
197A98.3Very high96.5Very high16 Ų1666.6 Ų66.613%0.13236%0.357CS..Hα-helixtrans-63.1-38178.500000113.1A173 L193 K195 A201 L223A173-A197 HydrophobicContact CB-CB 3.36Å; L193-A197 WeakPolarHBondContact O-CB 3.27Å; L193-A197 PolarHBondContact O-N 3.42Å; L193-A197 VanDerWaalsContact O-N 3.08Å; K195-A197 VanDerWaalsContact C-N 3.32Å; K195-A197 PolarHBondContact O-N 2.86Å; A197-A201 VanDerWaalsContact O-CB 3.27Å; A197-A201 WeakPolarHBondContact O-CB 3.13Å; A197-A201 PolarHBondContact O-N 2.7Å; A197-L223 HydrophobicContact CB-CD1 4.34Å
198F98Very high96.2Very high36 Ų3666.6 Ų66.616%0.15836%0.356CS..Hα-helixtrans-68.8-46.7177.1-176.2-97.3000111.8A194 K195 T196 A201 I202 M220 L223 R224A194-F198 WeakPolarHBondContact O-CB 3.37Å; A194-F198 PolarHBondContact O-N 3.06Å; K195-F198 PolarHBondContact O-N 3.24Å; K195-F198 VanDerWaalsContact O-N 3.17Å; T196-F198 VanDerWaalsContact C-N 3.32Å; T196-F198 PolarHBondContact O-N 2.92Å; F198-A201 PolarHBondContact O-N 3.13Å; F198-I202 HydrophobicContact CD1-CD1 3.69Å; F198-I202 HydrophobicContact CD1-CG1 4.34Å; F198-I202 HydrophobicContact CE1-CD1 3.1Å; F198-I202 HydrophobicContact CE1-CG1 4.1Å; F198-I202 HydrophobicContact CE2-CD1 4.27Å; F198-I202 HydrophobicContact CG-CD1 4.49Å; F198-I202 HydrophobicContact CZ-CD1 3.44Å; F198-I202 VanDerWaalsContact CZ-CD1 3.44Å; F198-I202 HydrophobicContact CZ-CG1 4.27Å; F198-I202 WeakPolarHBondContact O-CB 3.37Å; F198-I202 WeakPolarHBondContact O-CG1 3.1Å; F198-I202 PolarHBondContact O-N 3.43Å; F198-M220 HydrophobicContact CD2-CB 4.07Å; F198-M220 WeakPolarHBondContact CD2-O 3.48Å; F198-M220 HydrophobicContact CE2-CB 4.07Å; F198-M220 WeakPolarHBondContact CE2-O 3.4Å; F198-L223 HydrophobicContact CD2-CB 4.47Å; F198-R224 HydrophobicContact CD2-CB 4.34Å; F198-R224 HydrophobicContact CE2-CB 3.84Å; F198-R224 HydrophobicContact CE2-CG 4.39Å; F198-R224 HydrophobicContact CZ-CB 4.16Å; F198-R224 HydrophobicContact CZ-CG 4.2Å
199D98Very high95.8Very high75 Ų7564.1 Ų64.140%0.40135%0.347SS..Hα-helixtrans-65.4-44.4-179.3-68.9-15.9000111.1K195 T196 A201 I202 A203K195-D199 WeakPolarHBondContact CE-OD2 3.38Å; K195-D199 WeakPolarHBondContact CG-OD2 3.28Å; K195-D199 WeakPolarHBondContact O-CB 3.37Å; K195-D199 VanDerWaalsContact O-CG 3.31Å; K195-D199 PolarHBondContact O-N 3.16Å; T196-D199 PolarHBondContact O-N 2.88Å; D199-A201 VanDerWaalsContact C-N 3.34Å; D199-A201 PolarHBondContact O-N 2.72Å; D199-I202 PolarHBondContact O-N 3.22Å; D199-A203 PolarHBondContact O-N 3.02Å
200D97.6Very high95.4Very high65 Ų6565.8 Ų65.835%0.34836%0.361SS..Hα-helixtrans-60.9-42.9176.2-69.4-10.5000111.3P164 T196 A203 E204P164-D200 HydrophobicContact CB-CB 3.91Å; P164-D200 HydrophobicContact CG-CB 4.41Å; T196-D200 WeakPolarHBondContact O-CB 3.34Å; T196-D200 PolarHBondContact O-N 2.97Å; D200-A203 PolarHBondContact O-N 3.45Å; D200-E204 PolarHBondContact O-N 3.42Å
201A97.1Very high95Very high0 Ų073 Ų730%040%0.4CS..Hα-helixtrans-72.4-33.6179.400000112.9T165 L170 A197 F198 D199 A203 E204 L205 M220T165-A201 HydrophobicContact CG2-CB 4.43Å; T165-A201 WeakPolarHBondContact CG2-O 3.3Å; L170-A201 HydrophobicContact CD2-CB 3.71Å; A197-A201 VanDerWaalsContact O-CB 3.27Å; A197-A201 WeakPolarHBondContact O-CB 3.13Å; A197-A201 PolarHBondContact O-N 2.7Å; F198-A201 PolarHBondContact O-N 3.13Å; D199-A201 VanDerWaalsContact C-N 3.34Å; D199-A201 PolarHBondContact O-N 2.72Å; A201-A203 VanDerWaalsContact C-N 3.33Å; A201-E204 PolarHBondContact O-N 3.03Å; A201-L205 WeakPolarHBondContact O-CA 3.5Å; A201-L205 WeakPolarHBondContact O-CB 3.45Å; A201-L205 PolarHBondContact O-N 3.45Å; A201-M220 HydrophobicContact CB-CE 3.87Å; A201-M220 HydrophobicContact CB-CG 4.33Å; A201-M220 HydrophobicContact CB-SD 3.99Å
202I96.5Very high94.6Very high84 Ų8473.5 Ų73.543%0.43140%0.404SS..Hα-helixtrans-62.2-43.4171.8-80.6-173.3000110.7F198 D199 E204 L205 M220F198-I202 HydrophobicContact CD1-CD1 3.69Å; F198-I202 HydrophobicContact CD1-CG1 4.34Å; F198-I202 HydrophobicContact CE1-CD1 3.1Å; F198-I202 HydrophobicContact CE1-CG1 4.1Å; F198-I202 HydrophobicContact CE2-CD1 4.27Å; F198-I202 HydrophobicContact CG-CD1 4.49Å; F198-I202 HydrophobicContact CZ-CD1 3.44Å; F198-I202 VanDerWaalsContact CZ-CD1 3.44Å; F198-I202 HydrophobicContact CZ-CG1 4.27Å; F198-I202 WeakPolarHBondContact O-CB 3.37Å; F198-I202 WeakPolarHBondContact O-CG1 3.1Å; F198-I202 PolarHBondContact O-N 3.43Å; D199-I202 PolarHBondContact O-N 3.22Å; I202-E204 PolarHBondContact O-N 3.14Å; I202-L205 WeakPolarHBondContact O-CB 3.35Å; I202-L205 PolarHBondContact O-N 3.14Å; I202-M220 HydrophobicContact CB-CE 4.41Å; I202-M220 HydrophobicContact CG1-CE 3.5Å
203A96.7Very high94.3Very high84 Ų8474.7 Ų74.769%0.69440%0.401SS*.Hα-helixtrans-61.9-26.5-177.200000113.2D199 D200 A201D199-A203 PolarHBondContact O-N 3.02Å; D200-A203 PolarHBondContact O-N 3.45Å; A201-A203 VanDerWaalsContact C-N 3.33Å
204E95.5Very high94.2Very high81 Ų8180.3 Ų80.338%0.37942%0.424SS..THydrogen-bonded Turntrans-113.19.7-179.1-65.9-172.2-15600113.5P164 T165 D200 A201 I202 D206 T207P164-E204 WeakPolarHBondContact CD-OE2 3.23Å; T165-E204 HydrophobicContact CG2-CB 3.95Å; D200-E204 PolarHBondContact O-N 3.42Å; A201-E204 PolarHBondContact O-N 3.03Å; I202-E204 PolarHBondContact O-N 3.14Å; E204-D206 PolarHBondContact O-N 3.09Å; E204-D206 VanDerWaalsContact O-N 3.16Å; E204-T207 WeakPolarHBondContact O-CB 3.24Å; E204-T207 PolarHBondContact O-N 3.43Å; E204-T207 PolarHBondContact O-OG1 2.87Å
205L92.6Very high94Very high42 Ų4284.5 Ų84.522%0.2245%0.447CS..G310 helixtrans-59.4-33.4-172.4-17162.7000113.1A201 I202 T207 L208 T217 M220A201-L205 WeakPolarHBondContact O-CA 3.5Å; A201-L205 WeakPolarHBondContact O-CB 3.45Å; A201-L205 PolarHBondContact O-N 3.45Å; I202-L205 WeakPolarHBondContact O-CB 3.35Å; I202-L205 PolarHBondContact O-N 3.14Å; L205-T207 PolarHBondContact O-N 3.03Å; L205-L208 HydrophobicContact CD1-CD2 3.94Å; L205-L208 WeakPolarHBondContact O-CB 3.49Å; L205-L208 PolarHBondContact O-N 2.94Å; L205-L208 VanDerWaalsContact O-N 3.16Å; L205-T217 HydrophobicContact CD1-CG2 4.3Å; L205-M220 HydrophobicContact CD1-CE 4.32Å; L205-M220 HydrophobicContact CD1-SD 3.93Å
206D91.6Very high93.9Very high171 Ų17179 Ų7991%0.91442%0.423SS*.G310 helixtrans-65.9-15.3178.5-68-23.4000113.4E204E204-D206 PolarHBondContact O-N 3.09Å; E204-D206 VanDerWaalsContact O-N 3.16Å
207T88.3Confident93.8Very high101 Ų10177.5 Ų77.562%0.6241%0.413SS*.G310 helixtrans-88.6-6.9178.371.40000113.3E204 L205E204-T207 WeakPolarHBondContact O-CB 3.24Å; E204-T207 PolarHBondContact O-N 3.43Å; E204-T207 PolarHBondContact O-OG1 2.87Å; L205-T207 PolarHBondContact O-N 3.03Å
208L89.4Confident93.8Very high27 Ų2781.5 Ų81.514%0.14143%0.432CS..  trans-72.7134.4-170.8-169.256000111.8L205 Y213L205-L208 HydrophobicContact CD1-CD2 3.94Å; L205-L208 WeakPolarHBondContact O-CB 3.49Å; L205-L208 PolarHBondContact O-N 2.94Å; L205-L208 VanDerWaalsContact O-N 3.16Å; L208-Y213 HydrophobicContact CD2-CD2 4.07Å; L208-Y213 HydrophobicContact CG-CD2 4.47Å
209S89.1Confident93.8Very high59 Ų5981.1 Ų81.141%0.41343%0.431SS..  trans-69.8152.9174.966.20000111.8D211 S212 Y213S209-D211 PolarHBondContact O-N 3.19Å; S209-S212 PolarHBondContact O-N 2.7Å; S209-S212 VanDerWaalsContact O-N 3.15Å; S209-S212 PolarHBondContact OG-N 3.43Å; S209-Y213 PolarHBondContact O-N 2.88Å
210E88.6Confident93.8Very high183 Ų18378 Ų7886%0.85541%0.414SS*.Hα-helixtrans-56.4-38.9177.1-168.5173-178.800111.8S212 Y213E210-S212 VanDerWaalsContact C-N 3.33Å; E210-S212 PolarHBondContact O-N 3.39Å; E210-Y213 PolarHBondContact O-N 3.05Å
211D88.4Confident93.8Very high151 Ų15178.3 Ų78.381%0.80741%0.414SS*.Hα-helixtrans-63.4-34.2179.8-65.3-28.6000113.3S209S209-D211 PolarHBondContact O-N 3.19Å
212S90.9Very high93.9Very high32 Ų3281.8 Ų81.822%0.22443%0.432CS..Hα-helixtrans-97.5-9.6-179.4-66.10000113.5S209 E210 K214 D215 S216S209-S212 PolarHBondContact O-N 2.7Å; S209-S212 VanDerWaalsContact O-N 3.15Å; S209-S212 PolarHBondContact OG-N 3.43Å; E210-S212 VanDerWaalsContact C-N 3.33Å; E210-S212 PolarHBondContact O-N 3.39Å; S212-K214 PolarHBondContact O-N 3.35Å; S212-D215 PolarHBondContact O-N 3.11Å; S212-S216 WeakPolarHBondContact O-CB 3.27Å; S212-S216 PolarHBondContact O-N 3.3Å; S212-S216 PolarHBondContact O-OG 3.39Å
213Y91.8Very high93.9Very high125 Ų12577.8 Ų77.849%0.4941%0.411SS..Hα-helixtrans-57.9-50-172.6-171-92000112.5L208 S209 E210 T217L208-Y213 HydrophobicContact CD2-CD2 4.07Å; L208-Y213 HydrophobicContact CG-CD2 4.47Å; S209-Y213 PolarHBondContact O-N 2.88Å; E210-Y213 PolarHBondContact O-N 3.05Å; Y213-T217 HydrophobicContact CD1-CG2 4.21Å; Y213-T217 HydrophobicContact CD2-CG2 4.47Å; Y213-T217 HydrophobicContact CE1-CG2 3.92Å; Y213-T217 HydrophobicContact CE2-CG2 4.2Å; Y213-T217 HydrophobicContact CG-CG2 4.48Å; Y213-T217 WeakPolarHBondContact O-CB 3.19Å; Y213-T217 VanDerWaalsContact O-CG2 3.27Å; Y213-T217 WeakPolarHBondContact O-CG2 3.46Å; Y213-T217 PolarHBondContact O-N 3.13Å; Y213-T217 PolarHBondContact O-OG1 3.29Å
214K94.3Very high94Very high164 Ų16479 Ų7971%0.71340%0.398SS*.Hα-helixtrans-63.6-45.7-176.8-176.3-178.6174.8-173.70112.4S212 T217 L218S212-K214 PolarHBondContact O-N 3.35Å; K214-T217 PolarHBondContact O-OG1 2.76Å; K214-L218 WeakPolarHBondContact O-CB 3.33Å; K214-L218 PolarHBondContact O-N 3.2Å; K214-L218 VanDerWaalsContact O-N 3.14Å
215D94.8Very high94.1Very high88 Ų8878.4 Ų78.447%0.47140%0.397SS..Hα-helixtrans-70.6-43.2-176.6-71.6-14.1000111.4P167 S212 L218 I219P167-D215 HydrophobicContact CB-CB 4.24Å; P167-D215 HydrophobicContact CG-CB 4.18Å; S212-D215 PolarHBondContact O-N 3.11Å; D215-L218 PolarHBondContact O-N 2.93Å; D215-I219 WeakPolarHBondContact O-CD1 3.27Å; D215-I219 VanDerWaalsContact O-CG1 3.26Å; D215-I219 WeakPolarHBondContact O-CG1 3.46Å; D215-I219 PolarHBondContact O-N 3.11Å; D215-I219 VanDerWaalsContact O-N 3.09Å
216S96.4Very high94.3Very high0 Ų078.1 Ų78.10%040%0.396CS..Hα-helixtrans-66-46.2-179.5-47.90000111.5T165 P167 S212 L218 I219 M220T165-S216 WeakPolarHBondContact O-CB 3.25Å; T165-S216 PolarHBondContact O-OG 3.48Å; P167-S216 WeakPolarHBondContact CG-OG 3.47Å; S212-S216 WeakPolarHBondContact O-CB 3.27Å; S212-S216 PolarHBondContact O-N 3.3Å; S212-S216 PolarHBondContact O-OG 3.39Å; S216-L218 VanDerWaalsContact C-N 3.33Å; S216-L218 PolarHBondContact O-N 3.38Å; S216-I219 PolarHBondContact O-N 3.46Å; S216-I219 VanDerWaalsContact O-N 3.14Å; S216-M220 VanDerWaalsContact O-CG 3.28Å; S216-M220 WeakPolarHBondContact O-CG 3.25Å; S216-M220 PolarHBondContact O-N 2.87Å
217T96.4Very high94.5Very high43 Ų4371.1 Ų71.126%0.26436%0.359SS..Hα-helixtrans-65-36.1179.253.10000112.3L205 Y213 K214 M220 Q221L205-T217 HydrophobicContact CD1-CG2 4.3Å; Y213-T217 HydrophobicContact CD1-CG2 4.21Å; Y213-T217 HydrophobicContact CD2-CG2 4.47Å; Y213-T217 HydrophobicContact CE1-CG2 3.92Å; Y213-T217 HydrophobicContact CE2-CG2 4.2Å; Y213-T217 HydrophobicContact CG-CG2 4.48Å; Y213-T217 WeakPolarHBondContact O-CB 3.19Å; Y213-T217 VanDerWaalsContact O-CG2 3.27Å; Y213-T217 WeakPolarHBondContact O-CG2 3.46Å; Y213-T217 PolarHBondContact O-N 3.13Å; Y213-T217 PolarHBondContact O-OG1 3.29Å; K214-T217 PolarHBondContact O-OG1 2.76Å; T217-M220 PolarHBondContact O-N 3.42Å; T217-Q221 WeakPolarHBondContact O-CB 3.42Å; T217-Q221 PolarHBondContact O-N 2.89Å
218L97.5Very high94.8Very high101 Ų10170.7 Ų70.753%0.52936%0.356SS..Hα-helixtrans-61.3-43.5171.817862.1000111.7K214 D215 S216 Q221 L222K214-L218 WeakPolarHBondContact O-CB 3.33Å; K214-L218 PolarHBondContact O-N 3.2Å; K214-L218 VanDerWaalsContact O-N 3.14Å; D215-L218 PolarHBondContact O-N 2.93Å; S216-L218 VanDerWaalsContact C-N 3.33Å; S216-L218 PolarHBondContact O-N 3.38Å; L218-Q221 WeakPolarHBondContact O-CB 3.45Å; L218-Q221 PolarHBondContact O-N 3.32Å; L218-L222 WeakPolarHBondContact O-CG 3.43Å; L218-L222 PolarHBondContact O-N 3.44Å; L218-L222 VanDerWaalsContact O-N 3.14Å
219I98.1Very high95Very high27 Ų2773.9 Ų73.914%0.13837%0.372CS..Hα-helixtrans-69.5-40.1178.9-61.4163.6000111.2P167 L170 L174 D215 S216 Q221 L222 L223P167-I219 HydrophobicContact CB-CD1 4.16Å; P167-I219 VanDerWaalsContact O-CD1 3.31Å; P167-I219 WeakPolarHBondContact O-CD1 3.17Å; L170-I219 HydrophobicContact CB-CB 4.16Å; L170-I219 HydrophobicContact CB-CD1 4.44Å; L170-I219 HydrophobicContact CB-CG2 3.63Å; L174-I219 HydrophobicContact CB-CG2 4.24Å; L174-I219 HydrophobicContact CD2-CG2 4.16Å; D215-I219 WeakPolarHBondContact O-CD1 3.27Å; D215-I219 VanDerWaalsContact O-CG1 3.26Å; D215-I219 WeakPolarHBondContact O-CG1 3.46Å; D215-I219 PolarHBondContact O-N 3.11Å; D215-I219 VanDerWaalsContact O-N 3.09Å; S216-I219 PolarHBondContact O-N 3.46Å; S216-I219 VanDerWaalsContact O-N 3.14Å; I219-Q221 VanDerWaalsContact C-N 3.3Å; I219-Q221 PolarHBondContact O-N 3.39Å; I219-L222 WeakPolarHBondContact O-CB 3.37Å; I219-L222 PolarHBondContact O-N 3.28Å; I219-L222 VanDerWaalsContact O-N 3.16Å; I219-L223 HydrophobicContact CG2-CD1 4.47Å; I219-L223 PolarHBondContact O-N 3.44Å
220M97.9Very high95.3Very high10 Ų1071.4 Ų71.45%0.04935%0.354CS..Hα-helixtrans-60.6-40.3174.9-70.2170.974.500111.8L170 F198 A201 I202 L205 S216 T217 L223 R224L170-M220 HydrophobicContact CD1-CG 3.91Å; L170-M220 HydrophobicContact CD1-SD 4.41Å; L170-M220 HydrophobicContact CD2-CG 4.05Å; F198-M220 HydrophobicContact CD2-CB 4.07Å; F198-M220 WeakPolarHBondContact CD2-O 3.48Å; F198-M220 HydrophobicContact CE2-CB 4.07Å; F198-M220 WeakPolarHBondContact CE2-O 3.4Å; A201-M220 HydrophobicContact CB-CE 3.87Å; A201-M220 HydrophobicContact CB-CG 4.33Å; A201-M220 HydrophobicContact CB-SD 3.99Å; I202-M220 HydrophobicContact CB-CE 4.41Å; I202-M220 HydrophobicContact CG1-CE 3.5Å; L205-M220 HydrophobicContact CD1-CE 4.32Å; L205-M220 HydrophobicContact CD1-SD 3.93Å; S216-M220 VanDerWaalsContact O-CG 3.28Å; S216-M220 WeakPolarHBondContact O-CG 3.25Å; S216-M220 PolarHBondContact O-N 2.87Å; T217-M220 PolarHBondContact O-N 3.42Å; M220-L223 WeakPolarHBondContact O-CB 3.45Å; M220-L223 PolarHBondContact O-N 2.86Å; M220-R224 PolarHBondContact O-N 3Å
221Q98Very high95.4Very high71 Ų7166.7 Ų66.733%0.33234%0.338SS..Hα-helixtrans-58.9-47.2172.8172.870.332.800111.2T217 L218 I219 L223 R224 D225T217-Q221 WeakPolarHBondContact O-CB 3.42Å; T217-Q221 PolarHBondContact O-N 2.89Å; L218-Q221 WeakPolarHBondContact O-CB 3.45Å; L218-Q221 PolarHBondContact O-N 3.32Å; I219-Q221 VanDerWaalsContact C-N 3.3Å; I219-Q221 PolarHBondContact O-N 3.39Å; Q221-L223 VanDerWaalsContact C-N 3.35Å; Q221-L223 PolarHBondContact O-N 2.98Å; Q221-R224 PolarHBondContact O-N 3.08Å; Q221-D225 PolarHBondContact NE2-OD1 3.47Å; Q221-D225 PolarHBondContact NE2-OD2 3.03Å; Q221-D225 PolarHBondContact O-N 2.95Å
222L98.3Very high95.3Very high74 Ų7462 Ų6239%0.38732%0.317SS..Hα-helixtrans-62.2-39.6177.3-66.8171.8000112.6L174 L218 I219 D225 N226L174-L222 HydrophobicContact CD1-CB 4.07Å; L174-L222 HydrophobicContact CD2-CB 3.95Å; L174-L222 HydrophobicContact CD2-CD1 3.91Å; L218-L222 WeakPolarHBondContact O-CG 3.43Å; L218-L222 PolarHBondContact O-N 3.44Å; L218-L222 VanDerWaalsContact O-N 3.14Å; I219-L222 WeakPolarHBondContact O-CB 3.37Å; I219-L222 PolarHBondContact O-N 3.28Å; I219-L222 VanDerWaalsContact O-N 3.16Å; L222-D225 PolarHBondContact O-N 3.48Å; L222-N226 PolarHBondContact O-N 3.07Å
223L98.4Very high95Very high0 Ų062.3 Ų62.30%032%0.316CS..Hα-helixtrans-59.3-46.2173.8-78.3167.5000111.5L170 L174 A194 A197 F198 I219 M220 Q221 N226 L227L170-L223 HydrophobicContact CD2-CD1 3.98Å; L174-L223 HydrophobicContact CB-CD2 3.94Å; L174-L223 HydrophobicContact CB-CG 4.24Å; L174-L223 HydrophobicContact CD1-CD2 4.03Å; L174-L223 HydrophobicContact CD1-CG 4.21Å; A194-L223 HydrophobicContact CB-CD2 3.83Å; A197-L223 HydrophobicContact CB-CD1 4.34Å; F198-L223 HydrophobicContact CD2-CB 4.47Å; I219-L223 HydrophobicContact CG2-CD1 4.47Å; I219-L223 PolarHBondContact O-N 3.44Å; M220-L223 WeakPolarHBondContact O-CB 3.45Å; M220-L223 PolarHBondContact O-N 2.86Å; Q221-L223 VanDerWaalsContact C-N 3.35Å; Q221-L223 PolarHBondContact O-N 2.98Å; L223-N226 PolarHBondContact O-N 3.49Å; L223-L227 WeakPolarHBondContact O-CG 3.32Å; L223-L227 PolarHBondContact O-N 2.91Å
224R97.5Very high94.4Very high110 Ų11057.9 Ų57.942%0.41530%0.302SS..Hα-helixtrans-64.7-40.2178.3-168.5-16969.7-161.8-1.1112.5F198 M220 Q221 L227 T228F198-R224 HydrophobicContact CD2-CB 4.34Å; F198-R224 HydrophobicContact CE2-CB 3.84Å; F198-R224 HydrophobicContact CE2-CG 4.39Å; F198-R224 HydrophobicContact CZ-CB 4.16Å; F198-R224 HydrophobicContact CZ-CG 4.2Å; M220-R224 PolarHBondContact O-N 3Å; Q221-R224 PolarHBondContact O-N 3.08Å; R224-L227 PolarHBondContact O-N 3.17Å; R224-T228 PolarHBondContact O-N 2.84Å; R224-T228 PolarHBondContact O-OG1 3.38Å
225D97.7Very high93.6Very high67 Ų6754.4 Ų54.436%0.35829%0.288SS..Hα-helixtrans-66.3-41179.5-65.4-15000110.4Q221 L222 T228 L229Q221-D225 PolarHBondContact NE2-OD1 3.47Å; Q221-D225 PolarHBondContact NE2-OD2 3.03Å; Q221-D225 PolarHBondContact O-N 2.95Å; L222-D225 PolarHBondContact O-N 3.48Å; D225-T228 WeakPolarHBondContact O-CB 3.49Å; D225-T228 PolarHBondContact O-N 3.38Å; D225-L229 PolarHBondContact O-N 3.17Å; D225-L229 VanDerWaalsContact O-N 3.09Å
226N96.3Very high92.7Very high36 Ų3654.2 Ų54.219%0.19329%0.287CS..Hα-helixtrans-61.8-45.7172.2-79-2.2000112.9L174 L222 L223 T228 L229 W230L174-N226 VanDerWaalsContact CD1-ND2 3.3Å; L174-N226 WeakPolarHBondContact CD1-ND2 3.1Å; L222-N226 PolarHBondContact O-N 3.07Å; L223-N226 PolarHBondContact O-N 3.49Å; N226-T228 VanDerWaalsContact C-N 3.25Å; N226-T228 PolarHBondContact O-N 2.9Å; N226-L229 PolarHBondContact O-N 2.95Å; N226-W230 HydrophobicContact CB-CD2 4.24Å; N226-W230 HydrophobicContact CB-CE3 4.09Å; N226-W230 HydrophobicContact CB-CH2 3.67Å; N226-W230 HydrophobicContact CB-CZ2 3.83Å; N226-W230 HydrophobicContact CB-CZ3 3.8Å; N226-W230 WeakPolarHBondContact ND2-CH2 3.32Å; N226-W230 VanDerWaalsContact O-CG 3.26Å; N226-W230 PolarHBondContact O-N 3.49Å
227L96.1Very high91.6Very high25 Ų2559 Ų5913%0.13131%0.311CS..Hα-helixtrans-57.1-41.8176.5-77.9168.8000111.9C191 A194 K195 L223 R224 T231C191-L227 HydrophobicContact CB-CD2 4.08Å; C191-L227 VanDerWaalsContact O-CD2 3.32Å; C191-L227 WeakPolarHBondContact O-CD2 3.31Å; A194-L227 HydrophobicContact CB-CD1 4.31Å; A194-L227 HydrophobicContact CB-CD2 3.82Å; A194-L227 HydrophobicContact CB-CG 3.88Å; K195-L227 HydrophobicContact CB-CD1 4.2Å; K195-L227 HydrophobicContact CB-CD2 4.1Å; L223-L227 WeakPolarHBondContact O-CG 3.32Å; L223-L227 PolarHBondContact O-N 2.91Å; R224-L227 PolarHBondContact O-N 3.17Å; L227-T231 VanDerWaalsContact O-CB 3.26Å; L227-T231 WeakPolarHBondContact O-CB 3.36Å; L227-T231 PolarHBondContact O-N 3.34Å; L227-T231 PolarHBondContact O-OG1 3.15Å
228T95Very high90.6Very high92 Ų9262 Ų6256%0.56432%0.321SS*.Hα-helixtrans-62.4-48178.2-56.10000110.9R224 D225 N226 S232R224-T228 PolarHBondContact O-N 2.84Å; R224-T228 PolarHBondContact O-OG1 3.38Å; D225-T228 WeakPolarHBondContact O-CB 3.49Å; D225-T228 PolarHBondContact O-N 3.38Å; N226-T228 VanDerWaalsContact C-N 3.25Å; N226-T228 PolarHBondContact O-N 2.9Å; T228-S232 PolarHBondContact O-N 3.29Å
229L93.9Very high89.1Confident93 Ų9362.7 Ų62.749%0.48732%0.32SS..Hα-helixtrans-60.1-55.5178.8-179.165.7000111.2D225 N226 T231 S232 D233D225-L229 PolarHBondContact O-N 3.17Å; D225-L229 VanDerWaalsContact O-N 3.09Å; N226-L229 PolarHBondContact O-N 2.95Å; L229-T231 PolarHBondContact O-N 2.99Å; L229-S232 WeakPolarHBondContact O-CB 3.46Å; L229-S232 PolarHBondContact O-N 3.38Å; L229-S232 VanDerWaalsContact O-N 3.13Å; L229-S232 PolarHBondContact O-OG 3.26Å; L229-D233 PolarHBondContact O-N 3.11Å
230W94.8Very high87.3Confident8 Ų867.6 Ų67.63%0.0335%0.347CS..Hα-helixtrans-69.7-33.3-172.6-57.6-27.3000113.4V178 Y181 A190 A194 N226 S232 D233 V234V178-W230 HydrophobicContact CG2-CH2 3.95Å; V178-W230 HydrophobicContact CG2-CZ2 3.95Å; Y181-W230 AromaticContact CD1-CD1 3.91Å; Y181-W230 AromaticContact CD1-CE2 4Å; Y181-W230 AromaticContact CD1-NE1 3.46Å; Y181-W230 HydrophobicContact CD2-CB 4Å; Y181-W230 AromaticContact CD2-CD1 3.43Å; Y181-W230 VanDerWaalsContact CD2-CD1 3.43Å; Y181-W230 AromaticContact CD2-CD2 3.75Å; Y181-W230 HydrophobicContact CD2-CD2 3.75Å; Y181-W230 AromaticContact CD2-CE2 3.88Å; Y181-W230 AromaticContact CD2-CG 3.46Å; Y181-W230 HydrophobicContact CD2-CG 3.46Å; Y181-W230 VanDerWaalsContact CD2-CG 3.46Å; Y181-W230 AromaticContact CD2-NE1 3.66Å; Y181-W230 AromaticContact CE1-CD1 3.7Å; Y181-W230 AromaticContact CE1-NE1 3.59Å; Y181-W230 HydrophobicContact CE2-CB 3.77Å; Y181-W230 AromaticContact CE2-CD1 3.17Å; Y181-W230 HydrophobicContact CE2-CD2 4.23Å; Y181-W230 AromaticContact CE2-CG 3.45Å; Y181-W230 HydrophobicContact CE2-CG 3.45Å; Y181-W230 VanDerWaalsContact CE2-CG 3.45Å; Y181-W230 AromaticContact CE2-NE1 3.78Å; Y181-W230 AromaticContact CG-CD1 3.8Å; Y181-W230 HydrophobicContact CG-CD2 4.02Å; Y181-W230 AromaticContact CG-CE2 3.66Å; Y181-W230 HydrophobicContact CG-CG 4.09Å; Y181-W230 HydrophobicContact CG-CZ2 4.18Å; Y181-W230 AromaticContact CG-NE1 3.51Å; Y181-W230 AromaticContact CZ-CD1 3.32Å; Y181-W230 AromaticContact CZ-NE1 3.75Å; A190-W230 HydrophobicContact CB-CE3 3.99Å; A190-W230 HydrophobicContact CB-CZ3 3.91Å; A194-W230 HydrophobicContact CB-CZ3 4.38Å; N226-W230 HydrophobicContact CB-CD2 4.24Å; N226-W230 HydrophobicContact CB-CE3 4.09Å; N226-W230 HydrophobicContact CB-CH2 3.67Å; N226-W230 HydrophobicContact CB-CZ2 3.83Å; N226-W230 HydrophobicContact CB-CZ3 3.8Å; N226-W230 WeakPolarHBondContact ND2-CH2 3.32Å; N226-W230 VanDerWaalsContact O-CG 3.26Å; N226-W230 PolarHBondContact O-N 3.49Å; W230-S232 VanDerWaalsContact C-N 3.29Å; W230-S232 PolarHBondContact O-N 2.91Å; W230-D233 PolarHBondContact O-N 3.21Å; W230-V234 WeakPolarHBondContact O-CG2 3.47Å; W230-V234 PolarHBondContact O-N 3.34Å
231T90.4Very high85.3Confident83 Ų8374.5 Ų74.551%0.50938%0.379SS..Hα-helixtrans-66.9-34.9174.2-530000111.2L227 L229 H235L227-T231 VanDerWaalsContact O-CB 3.26Å; L227-T231 WeakPolarHBondContact O-CB 3.36Å; L227-T231 PolarHBondContact O-N 3.34Å; L227-T231 PolarHBondContact O-OG1 3.15Å; L229-T231 PolarHBondContact O-N 2.99Å; T231-H235 PolarHBondContact O-N 3.37Å
232S87.7Confident83.1Confident52 Ų5277.3 Ų77.336%0.36440%0.396SS..Hα-helixtrans-68.5-36.7174.477.80000112.5T228 L229 W230 H235 N236T228-S232 PolarHBondContact O-N 3.29Å; L229-S232 WeakPolarHBondContact O-CB 3.46Å; L229-S232 PolarHBondContact O-N 3.38Å; L229-S232 VanDerWaalsContact O-N 3.13Å; L229-S232 PolarHBondContact O-OG 3.26Å; W230-S232 VanDerWaalsContact C-N 3.29Å; W230-S232 PolarHBondContact O-N 2.91Å; S232-H235 PolarHBondContact O-N 2.8Å; S232-N236 PolarHBondContact O-N 2.91Å; S232-N236 PolarHBondContact O-ND2 3.39Å
233D83.3Confident80.4Confident40 Ų4076.5 Ų76.521%0.21441%0.406CS..Hα-helixtrans-64.8-45.6176.3-67.2-28.7000111.6Y181 L229 W230 H235 N236 M237Y181-D233 PolarHBondContact OH-OD2 2.96Å; L229-D233 PolarHBondContact O-N 3.11Å; W230-D233 PolarHBondContact O-N 3.21Å; D233-H235 VanDerWaalsContact C-N 3.33Å; D233-H235 PolarHBondContact O-N 3.44Å; D233-N236 PolarHBondContact O-N 3.21Å; D233-M237 WeakPolarHBondContact O-CG 3.45Å; D233-M237 PolarHBondContact O-N 3.1Å
234V80Confident77.8Confident32 Ų3283.8 Ų83.819%0.19445%0.445CS..Hα-helixtrans-58.3-46.8176.8172.50000110.5P187 W230 N236 M237 E238P187-V234 HydrophobicContact CB-CG2 3.82Å; P187-V234 HydrophobicContact CG-CG2 4.12Å; W230-V234 WeakPolarHBondContact O-CG2 3.47Å; W230-V234 PolarHBondContact O-N 3.34Å; V234-N236 VanDerWaalsContact C-N 3.3Å; V234-N236 PolarHBondContact O-N 2.98Å; V234-M237 PolarHBondContact O-N 3.45Å; V234-M237 VanDerWaalsContact O-N 3.15Å; V234-E238 WeakPolarHBondContact O-CG 3.49Å; V234-E238 PolarHBondContact O-N 3.48Å
235H76.7Confident75.2Confident90 Ų9085.9 Ų85.942%0.41746%0.464SS..Hα-helixtrans-64.2-34178.8-171.457.1000113.3T231 S232 D233 K239T231-H235 PolarHBondContact O-N 3.37Å; S232-H235 PolarHBondContact O-N 2.8Å; D233-H235 VanDerWaalsContact C-N 3.33Å; D233-H235 PolarHBondContact O-N 3.44Å; H235-K239 PolarHBondContact CD2-NZ 3.12Å; H235-K239 WeakPolarHBondContact NE2-CE 3.48Å; H235-K239 PolarHBondContact NE2-NZ 2.64Å; H235-K239 WeakPolarHBondContact O-CG 3.41Å; H235-K239 PolarHBondContact O-N 3.04Å
236N77.3Confident72.4Confident84 Ų8489.8 Ų89.845%0.44949%0.485SS..Hα-helixtrans-72.4-34.8174.7-70-26.6000112.1S232 D233 V234 N240S232-N236 PolarHBondContact O-N 2.91Å; S232-N236 PolarHBondContact O-ND2 3.39Å; D233-N236 PolarHBondContact O-N 3.21Å; V234-N236 VanDerWaalsContact C-N 3.3Å; V234-N236 PolarHBondContact O-N 2.98Å; N236-N240 VanDerWaalsContact O-CG 3.26Å; N236-N240 PolarHBondContact O-N 3.4Å; N236-N240 PolarHBondContact O-ND2 3.26Å
237M73.4Confident69.8Low102 Ų10297.2 Ų97.250%0.50252%0.519SS..Hα-helixtrans-67.5-40.3175.1-70.3-179.6-168.300111.9D233 V234 N240 Q241D233-M237 WeakPolarHBondContact O-CG 3.45Å; D233-M237 PolarHBondContact O-N 3.1Å; V234-M237 PolarHBondContact O-N 3.45Å; V234-M237 VanDerWaalsContact O-N 3.15Å; M237-N240 PolarHBondContact O-N 2.96Å; M237-Q241 PolarHBondContact O-N 3.03Å
238E74.5Confident67Low104 Ų104103.9 Ų103.949%0.48655%0.554SS.*Hα-helixtrans-62.7-48175.9-71.3172.5167.100111.5V234 N240 Q241 D242V234-E238 WeakPolarHBondContact O-CG 3.49Å; V234-E238 PolarHBondContact O-N 3.48Å; E238-N240 VanDerWaalsContact C-N 3.26Å; E238-N240 PolarHBondContact O-N 3.16Å; E238-Q241 PolarHBondContact O-N 3.2Å; E238-D242 PolarHBondContact O-N 3.41Å
239K66.2Low64.4Low116 Ų116108.4 Ų108.450%0.50457%0.569SS.*Hα-helixtrans-58.8-35.3176.7-78.7176.5172.4165.50114H235 Q241 G243H235-K239 PolarHBondContact CD2-NZ 3.12Å; H235-K239 WeakPolarHBondContact NE2-CE 3.48Å; H235-K239 PolarHBondContact NE2-NZ 2.64Å; H235-K239 WeakPolarHBondContact O-CG 3.41Å; H235-K239 PolarHBondContact O-N 3.04Å; K239-Q241 VanDerWaalsContact C-N 3.31Å; K239-G243 PolarHBondContact O-N 3.34Å
240N60.6Low62.1Low130 Ų130110.1 Ų110.170%0.69559%0.586SS**Hα-helixtrans-75.1-21.7178.2-70.3-21.1000112.4N236 M237 E238N236-N240 VanDerWaalsContact O-CG 3.26Å; N236-N240 PolarHBondContact O-N 3.4Å; N236-N240 PolarHBondContact O-ND2 3.26Å; M237-N240 PolarHBondContact O-N 2.96Å; E238-N240 VanDerWaalsContact C-N 3.26Å; E238-N240 PolarHBondContact O-N 3.16Å
241Q54.7Low59.9Low155 Ų155113 Ų11372%0.72462%0.618SS**Hα-helixtrans-82.5-35.1173.3-72-179.921.300111.9M237 E238 K239 G243M237-Q241 PolarHBondContact O-N 3.03Å; E238-Q241 PolarHBondContact O-N 3.2Å; K239-Q241 VanDerWaalsContact C-N 3.31Å; Q241-G243 PolarHBondContact O-N 3.45Å
242D51.6Low57.6Low130 Ų130122.1 Ų122.170%0.69566%0.658SS**Hα-helixtrans-76.8-10.9176.5-65.4-28000113.2E238 D244E238-D242 PolarHBondContact O-N 3.41Å; D242-D244 VanDerWaalsContact C-N 3.35Å; D242-D244 PolarHBondContact O-N 3.16Å
243G43.1Very low56.1Low57 Ų57125.6 Ų125.659%0.58867%0.673SS**THydrogen-bonded Turntrans-80.1-5.4-178.800000115.9K239 Q241K239-G243 PolarHBondContact O-N 3.34Å; Q241-G243 PolarHBondContact O-N 3.45Å
244D44.2Very low54.7Low154 Ų154130.1 Ų130.182%0.82470%0.697SS**THydrogen-bonded Turntrans-92.74.2-179.4-101.3-10.8000114D242D242-D244 VanDerWaalsContact C-N 3.35Å; D242-D244 PolarHBondContact O-N 3.16Å
245D42.4Very low53.3Low153 Ų153135.6 Ų135.682%0.81873%0.725SS**SBendtrans-106.514.1-176.1-94.7-12000115.9
246D38.5Very low51.9Low150 Ų150138.2 Ų138.280%0.80274%0.743SS**SBendtrans-138.489.1175.7-100.7-28.2000113.3
247Q41.3Very low50.3Low191 Ų191141.6 Ų141.689%0.89376%0.762SS**  trans175.375.8131.7-94.1166.554.800110.9
248N37.1Very low48.7Very low165 Ų165144.3 Ų144.388%0.88278%0.779SS**  trans-101.673.3160.8-136.62.6000107.7P250N248-P250 WeakPolarHBondContact O-CD 3.21Å
249E40.7Very low46.9Very low188 Ų188147.1 Ų147.188%0.87980%0.8SS**  trans-104.1103.5164.7-96-165.6164.900109.6G251E249-G251 PolarHBondContact O-N 3.18Å
250P44.9Very low45.4Very low129 Ų129149.5 Ų149.584%0.83882%0.823SS**  trans-85.3105.5164.931-25.5000108.4N248N248-P250 WeakPolarHBondContact O-CD 3.21Å
251G48.9Very low44.2Very low69 Ų69151.2 Ų151.271%0.71183%0.833SS**  trans-149.773.5-179.100000113.9E249E249-G251 PolarHBondContact O-N 3.18Å
252M42.6Very low43.2Very low273 Ų273150.8 Ų150.8100%1.34584%0.843SS**  trans169.30131.4-94.2-170.6-167.500111.4

Retrieved 252 of 252 residues in 280.9 ms (Link to these results)

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