A0A5K4F787_SCHMA Loading...

TPR_REGION domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F787, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 144 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
1M50.8Low78.9Confident241 Ų24188.1 Ų88.1100%1.18746%0.455SS*.  0122.20-161.9163.1165.600107.6
2S65Low79.9Confident93 Ų9385.3 Ų85.365%0.6544%0.444SS*.PPolyproline II helixtrans-66.7140.3179.2-179.80000109.6Y4S2-Y4 PolarHBondContact O-N 3.02Å
3P70.2Confident80.8Confident47 Ų4785.8 Ų85.831%0.30545%0.453SS..PPolyproline II helixtrans-56.7137.7170.2-18.629.6000110.3F5P3-F5 HydrophobicContact CB-CE1 4.38Å; P3-F5 HydrophobicContact CB-CE2 3.94Å; P3-F5 HydrophobicContact CB-CZ 3.83Å; P3-F5 HydrophobicContact CG-CE2 4.43Å; P3-F5 HydrophobicContact CG-CZ 4.29Å
4Y78.1Confident81.4Confident170 Ų17080.5 Ų80.567%0.66743%0.425SS*.PPolyproline II helixtrans-80.8132.6169.9177.1-106.8000109.2S2 P6S2-Y4 PolarHBondContact O-N 3.02Å; Y4-P6 HydrophobicContact CD1-CG 4.24Å; Y4-P6 HydrophobicContact CE1-CB 4.25Å; Y4-P6 HydrophobicContact CE1-CG 3.85Å
5F78.7Confident82Confident13 Ų1380.9 Ų80.96%0.05743%0.432CS..  trans-122.8103.5-178.9-69.3-65.4000107.8P3 F7 K8 Y28 D31 L32 T35 A40P3-F5 HydrophobicContact CB-CE1 4.38Å; P3-F5 HydrophobicContact CB-CE2 3.94Å; P3-F5 HydrophobicContact CB-CZ 3.83Å; P3-F5 HydrophobicContact CG-CE2 4.43Å; P3-F5 HydrophobicContact CG-CZ 4.29Å; F5-F7 PolarHBondContact O-N 2.71Å; F5-K8 HydrophobicContact CB-CB 4.08Å; F5-K8 VanDerWaalsContact O-CB 3.27Å; F5-K8 WeakPolarHBondContact O-CB 3.43Å; F5-K8 PolarHBondContact O-N 2.99Å; F5-Y28 HydrophobicContact CB-CE2 4.05Å; F5-Y28 HydrophobicContact CG-CE2 4.47Å; F5-D31 WeakPolarHBondContact CA-OD2 3.35Å; F5-D31 WeakPolarHBondContact CB-OD2 3.19Å; F5-D31 WeakPolarHBondContact CD1-OD2 3.38Å; F5-D31 WeakPolarHBondContact CE1-O 3.35Å; F5-L32 HydrophobicContact CD1-CD2 4.37Å; F5-L32 HydrophobicContact CD2-CD2 4.08Å; F5-L32 HydrophobicContact CE1-CD2 4.11Å; F5-L32 HydrophobicContact CE2-CD2 3.8Å; F5-L32 HydrophobicContact CG-CD2 4.35Å; F5-L32 HydrophobicContact CZ-CD2 3.81Å; F5-T35 HydrophobicContact CE1-CG2 4.37Å; F5-T35 HydrophobicContact CZ-CG2 3.95Å; F5-A40 HydrophobicContact CZ-CB 4.39Å
6P79.3Confident82.6Confident57 Ų5785.4 Ų85.437%0.3745%0.45SS..THydrogen-bonded Turntrans-51-31.4-173.1-31.134.6000115.5Y4 D31Y4-P6 HydrophobicContact CD1-CG 4.24Å; Y4-P6 HydrophobicContact CE1-CB 4.25Å; Y4-P6 HydrophobicContact CE1-CG 3.85Å; P6-D31 WeakPolarHBondContact CD-OD2 3.42Å
7F85.7Confident83.1Confident80 Ų8084.4 Ų84.435%0.35145%0.451SS..THydrogen-bonded Turntrans-92.3-1.4-177.4-62.7-73.8000114.1F5 D9 A10 F11 L27 Y28 D31F5-F7 PolarHBondContact O-N 2.71Å; F7-D9 VanDerWaalsContact C-N 3.35Å; F7-D9 PolarHBondContact O-N 3.46Å; F7-A10 PolarHBondContact O-N 3.29Å; F7-F11 WeakPolarHBondContact O-CB 3.32Å; F7-F11 PolarHBondContact O-N 3.01Å; F7-L27 HydrophobicContact CB-CB 4.49Å; F7-L27 HydrophobicContact CD1-CB 3.97Å; F7-L27 HydrophobicContact CD1-CD1 4.22Å; F7-L27 HydrophobicContact CD2-CB 4.13Å; F7-L27 HydrophobicContact CE1-CB 4.21Å; F7-L27 HydrophobicContact CE1-CD1 3.85Å; F7-L27 HydrophobicContact CE2-CB 4.34Å; F7-L27 HydrophobicContact CG-CB 3.93Å; F7-L27 HydrophobicContact CZ-CB 4.38Å; F7-L27 HydrophobicContact CZ-CD1 4.28Å; F7-L27 HydrophobicContact CZ-CD2 4.4Å; F7-Y28 HydrophobicContact CB-CD2 4.39Å; F7-D31 HydrophobicContact CD2-CB 3.98Å
8K88.3Confident83.3Confident98 Ų9883.2 Ų83.243%0.42646%0.462SS..Hα-helixtrans-60.9-45.3179-175.7-176.7176.2-167.80111.5F5 F11 V12 Y28F5-K8 HydrophobicContact CB-CB 4.08Å; F5-K8 VanDerWaalsContact O-CB 3.27Å; F5-K8 WeakPolarHBondContact O-CB 3.43Å; F5-K8 PolarHBondContact O-N 2.99Å; K8-F11 WeakPolarHBondContact O-CB 3.47Å; K8-F11 PolarHBondContact O-N 3.44Å; K8-V12 HydrophobicContact CG-CG2 4.46Å; K8-V12 WeakPolarHBondContact O-CG2 3.42Å; K8-V12 PolarHBondContact O-N 3.39Å; K8-Y28 HydrophobicContact CB-CD2 4.19Å; K8-Y28 HydrophobicContact CB-CE2 3.64Å; K8-Y28 HydrophobicContact CG-CE2 4.01Å
9D90.1Very high83.5Confident95 Ų9585.5 Ų85.551%0.50847%0.472SS..Hα-helixtrans-66.3-42.1-176.4-59.4-31.8000110.6F7 F11 V12 V13F7-D9 VanDerWaalsContact C-N 3.35Å; F7-D9 PolarHBondContact O-N 3.46Å; D9-F11 VanDerWaalsContact C-N 3.32Å; D9-F11 PolarHBondContact O-N 3.41Å; D9-V12 PolarHBondContact O-N 2.9Å; D9-V13 WeakPolarHBondContact O-CG2 3.42Å; D9-V13 PolarHBondContact O-N 3.05Å
10A90.2Very high83.7Confident39 Ų3987.2 Ų87.232%0.32248%0.478SS..Hα-helixtrans-60.5-41173.100000112.1F7 M14 I24F7-A10 PolarHBondContact O-N 3.29Å; A10-M14 VanDerWaalsContact O-CB 3.26Å; A10-M14 WeakPolarHBondContact O-CB 3.32Å; A10-M14 PolarHBondContact O-N 3.47Å; A10-I24 HydrophobicContact CB-CG2 3.95Å
11F91.1Very high84.2Confident36 Ų3686.5 Ų86.516%0.15847%0.473CS..Hα-helixtrans-66-39.5177-177.8-95.6000113F7 K8 D9 M14 T15 I24 Q25 Y28 L47F7-F11 WeakPolarHBondContact O-CB 3.32Å; F7-F11 PolarHBondContact O-N 3.01Å; K8-F11 WeakPolarHBondContact O-CB 3.47Å; K8-F11 PolarHBondContact O-N 3.44Å; D9-F11 VanDerWaalsContact C-N 3.32Å; D9-F11 PolarHBondContact O-N 3.41Å; F11-M14 HydrophobicContact CD2-CE 3.4Å; F11-M14 HydrophobicContact CE2-CE 3.72Å; F11-M14 HydrophobicContact CG-CE 4.34Å; F11-M14 PolarHBondContact O-N 2.79Å; F11-T15 WeakPolarHBondContact O-CB 3.48Å; F11-T15 PolarHBondContact O-N 3.29Å; F11-T15 PolarHBondContact O-OG1 3.39Å; F11-I24 HydrophobicContact CB-CG2 4.31Å; F11-Q25 HydrophobicContact CD2-CB 4.43Å; F11-Q25 HydrophobicContact CE2-CB 4.11Å; F11-Q25 HydrophobicContact CE2-CG 4.02Å; F11-Y28 HydrophobicContact CB-CD1 3.67Å; F11-Y28 HydrophobicContact CB-CE1 4.34Å; F11-Y28 HydrophobicContact CB-CG 3.82Å; F11-Y28 AromaticContact CD1-CD1 3.56Å; F11-Y28 HydrophobicContact CD1-CD1 3.56Å; F11-Y28 AromaticContact CD1-CE1 3.68Å; F11-Y28 HydrophobicContact CD1-CE1 3.68Å; F11-Y28 AromaticContact CD2-CD1 3.72Å; F11-Y28 HydrophobicContact CD2-CD1 3.72Å; F11-Y28 HydrophobicContact CD2-CG 4.34Å; F11-Y28 HydrophobicContact CE1-CD1 4.13Å; F11-Y28 HydrophobicContact CE1-CE1 4.15Å; F11-Y28 HydrophobicContact CE2-CD1 4.28Å; F11-Y28 AromaticContact CG-CD1 3.33Å; F11-Y28 HydrophobicContact CG-CD1 3.33Å; F11-Y28 AromaticContact CG-CE1 3.96Å; F11-Y28 HydrophobicContact CG-CE1 3.96Å; F11-Y28 AromaticContact CG-CG 3.99Å; F11-Y28 HydrophobicContact CG-CG 3.99Å; F11-Y28 HydrophobicContact CZ-CD1 4.47Å; F11-L47 HydrophobicContact CE1-CD2 4.47Å; F11-L47 HydrophobicContact CE2-CD2 4Å; F11-L47 HydrophobicContact CZ-CD1 4.44Å; F11-L47 HydrophobicContact CZ-CD2 3.6Å
12V91.5Very high86.3Confident54 Ų5477.1 Ų77.133%0.32743%0.428SS..Hα-helixtrans-63.8-50.2176170.20000110.2K8 D9 M14 T15 E16K8-V12 HydrophobicContact CG-CG2 4.46Å; K8-V12 WeakPolarHBondContact O-CG2 3.42Å; K8-V12 PolarHBondContact O-N 3.39Å; D9-V12 PolarHBondContact O-N 2.9Å; V12-M14 VanDerWaalsContact C-N 3.29Å; V12-M14 PolarHBondContact O-N 3.22Å; V12-T15 PolarHBondContact O-N 3.41Å; V12-T15 VanDerWaalsContact O-N 3.11Å; V12-E16 HydrophobicContact CG1-CG 4.3Å; V12-E16 WeakPolarHBondContact CG1-OE1 3.38Å; V12-E16 WeakPolarHBondContact O-CG 3.35Å; V12-E16 PolarHBondContact O-N 3.35Å
13V90.9Very high87.7Confident92 Ų9274.2 Ų74.256%0.55841%0.413SS*.Hα-helixtrans-58.6-43.1177.51720000111.2D9 T15 E16 S17D9-V13 WeakPolarHBondContact O-CG2 3.42Å; D9-V13 PolarHBondContact O-N 3.05Å; V13-T15 PolarHBondContact O-N 3.01Å; V13-E16 PolarHBondContact O-N 3.11Å; V13-S17 WeakPolarHBondContact O-CB 3.43Å; V13-S17 PolarHBondContact O-N 3.32Å
14M90.3Very high88.9Confident12 Ų1274.2 Ų74.26%0.05941%0.41CS..Hα-helixtrans-57.9-48.2175.3178.1-109.7-69.700111.3A10 F11 V12 E16 S17 G18 I19 D21 I24 Q25A10-M14 VanDerWaalsContact O-CB 3.26Å; A10-M14 WeakPolarHBondContact O-CB 3.32Å; A10-M14 PolarHBondContact O-N 3.47Å; F11-M14 HydrophobicContact CD2-CE 3.4Å; F11-M14 HydrophobicContact CE2-CE 3.72Å; F11-M14 HydrophobicContact CG-CE 4.34Å; F11-M14 PolarHBondContact O-N 2.79Å; V12-M14 VanDerWaalsContact C-N 3.29Å; V12-M14 PolarHBondContact O-N 3.22Å; M14-E16 PolarHBondContact O-N 3.36Å; M14-S17 PolarHBondContact O-N 2.74Å; M14-S17 PolarHBondContact O-OG 3.02Å; M14-G18 PolarHBondContact O-N 3.43Å; M14-I19 VanDerWaalsContact CG-O 3.25Å; M14-I19 WeakPolarHBondContact CG-O 3.45Å; M14-D21 WeakPolarHBondContact CE-O 3.39Å; M14-D21 HydrophobicContact CG-CB 4.08Å; M14-I24 HydrophobicContact CB-CD1 4.44Å; M14-I24 HydrophobicContact CB-CG2 4.29Å; M14-I24 HydrophobicContact CE-CB 3.76Å; M14-I24 HydrophobicContact CE-CG2 3.63Å; M14-Q25 HydrophobicContact CE-CB 3.87Å
15T89.8Confident89.7Confident87 Ų8766.3 Ų66.353%0.53438%0.379SS..Hα-helixtrans-64.1-41178.9-54.80000112.1F11 V12 V13 G18F11-T15 WeakPolarHBondContact O-CB 3.48Å; F11-T15 PolarHBondContact O-N 3.29Å; F11-T15 PolarHBondContact O-OG1 3.39Å; V12-T15 PolarHBondContact O-N 3.41Å; V12-T15 VanDerWaalsContact O-N 3.11Å; V13-T15 PolarHBondContact O-N 3.01Å; T15-G18 PolarHBondContact O-N 2.74Å
16E92Very high90.6Very high153 Ų15366.9 Ų66.972%0.71538%0.381SS*.Hα-helixtrans-68.1-33.9178.7-72.7176172.800112.7V12 V13 M14 G18V12-E16 HydrophobicContact CG1-CG 4.3Å; V12-E16 WeakPolarHBondContact CG1-OE1 3.38Å; V12-E16 WeakPolarHBondContact O-CG 3.35Å; V12-E16 PolarHBondContact O-N 3.35Å; V13-E16 PolarHBondContact O-N 3.11Å; M14-E16 PolarHBondContact O-N 3.36Å; E16-G18 PolarHBondContact O-N 3.23Å
17S90Very high91.4Very high68 Ų6867.7 Ų67.748%0.47638%0.382SS..Hα-helixtrans-70.6-19.4177.3770000113.6V13 M14 I19V13-S17 WeakPolarHBondContact O-CB 3.43Å; V13-S17 PolarHBondContact O-N 3.32Å; M14-S17 PolarHBondContact O-N 2.74Å; M14-S17 PolarHBondContact O-OG 3.02Å; S17-I19 PolarHBondContact O-N 2.75Å; S17-I19 PolarHBondContact OG-N 3.16Å; S17-I19 VanDerWaalsContact OG-N 3.16Å
18G87.9Confident92Very high63 Ų6364.7 Ų64.765%0.64937%0.369SS*.THydrogen-bonded Turntrans71.8-3.9-171.900000114.7M14 T15 E16M14-G18 PolarHBondContact O-N 3.43Å; T15-G18 PolarHBondContact O-N 2.74Å; E16-G18 PolarHBondContact O-N 3.23Å
19I86.6Confident92.4Very high127 Ų12760 Ų6065%0.65135%0.349SS*.  trans-88.6110.6175-58.7173.8000107.8M14 S17 D21M14-I19 VanDerWaalsContact CG-O 3.25Å; M14-I19 WeakPolarHBondContact CG-O 3.45Å; S17-I19 PolarHBondContact O-N 2.75Å; S17-I19 PolarHBondContact OG-N 3.16Å; S17-I19 VanDerWaalsContact OG-N 3.16Å; I19-D21 PolarHBondContact O-N 3.35Å
20M87.4Confident92.7Very high119 Ų11957 Ų5759%0.58633%0.334SS*.  trans-76.1124.3177.4-66.8-176.8117.200111.1
21D93.3Very high93Very high72 Ų7255.6 Ų55.639%0.38532%0.321SS..  trans-111.9113.3170.4-172.9-52.2000109.4M14 I19 G23 I24 Q25M14-D21 WeakPolarHBondContact CE-O 3.39Å; M14-D21 HydrophobicContact CG-CB 4.08Å; I19-D21 PolarHBondContact O-N 3.35Å; D21-G23 VanDerWaalsContact C-N 3.29Å; D21-G23 PolarHBondContact O-N 3.37Å; D21-G23 WeakPolarHBondContact OD1-CA 3.33Å; D21-G23 PolarHBondContact OD1-N 3.44Å; D21-I24 HydrophobicContact CB-CB 4.12Å; D21-I24 HydrophobicContact CB-CD1 3.92Å; D21-I24 HydrophobicContact CB-CG1 4.02Å; D21-I24 PolarHBondContact O-N 3.11Å; D21-I24 PolarHBondContact OD1-N 3.09Å; D21-Q25 PolarHBondContact O-N 3.41Å; D21-Q25 VanDerWaalsContact O-N 3.11Å
22D95.6Very high93.2Very high44 Ų4454 Ų5424%0.23531%0.314CS..Hα-helixtrans-59.6-38.6-179.4-79.87.6000112.1F26 L51 R54 T55 L60D22-F26 VanDerWaalsContact O-CB 3.32Å; D22-F26 WeakPolarHBondContact O-CB 3.1Å; D22-F26 PolarHBondContact O-N 3.42Å; D22-L51 HydrophobicContact CB-CD1 3.66Å; D22-L51 VanDerWaalsContact CG-CD1 3.47Å; D22-R54 IonicContact OD1-CZ 3.14Å; D22-R54 VanDerWaalsContact OD1-CZ 3.3Å; D22-R54 IonicContact OD1-NE 2.67Å; D22-R54 PolarHBondContact OD1-NE 3.19Å; D22-R54 VanDerWaalsContact OD1-NE 3.14Å; D22-R54 IonicContact OD1-NH2 3Å; D22-R54 PolarHBondContact OD1-NH2 2.8Å; D22-T55 WeakPolarHBondContact OD2-CB 3.45Å; D22-T55 PolarHBondContact OD2-OG1 2.63Å; D22-L60 HydrophobicContact CB-CD2 3.85Å
23G94.6Very high93.5Very high32 Ų3252 Ų5233%0.3330%0.301SS..Hα-helixtrans-69.6-43.1-179.300000112.3D21 F26 L27D21-G23 VanDerWaalsContact C-N 3.29Å; D21-G23 PolarHBondContact O-N 3.37Å; D21-G23 WeakPolarHBondContact OD1-CA 3.33Å; D21-G23 PolarHBondContact OD1-N 3.44Å; G23-F26 PolarHBondContact O-N 3.37Å; G23-L27 WeakPolarHBondContact O-CB 3.3Å; G23-L27 VanDerWaalsContact O-CG 3.27Å; G23-L27 WeakPolarHBondContact O-CG 3.25Å; G23-L27 PolarHBondContact O-N 2.81Å
24I94.7Very high93.6Very high47 Ų4756.1 Ų56.124%0.24131%0.307CS..Hα-helixtrans-64.6-43.5176.8-63.6177.1000110.7A10 F11 M14 D21 F26 L27 Y28A10-I24 HydrophobicContact CB-CG2 3.95Å; F11-I24 HydrophobicContact CB-CG2 4.31Å; M14-I24 HydrophobicContact CB-CD1 4.44Å; M14-I24 HydrophobicContact CB-CG2 4.29Å; M14-I24 HydrophobicContact CE-CB 3.76Å; M14-I24 HydrophobicContact CE-CG2 3.63Å; D21-I24 HydrophobicContact CB-CB 4.12Å; D21-I24 HydrophobicContact CB-CD1 3.92Å; D21-I24 HydrophobicContact CB-CG1 4.02Å; D21-I24 PolarHBondContact O-N 3.11Å; D21-I24 PolarHBondContact OD1-N 3.09Å; I24-F26 VanDerWaalsContact C-N 3.34Å; I24-F26 PolarHBondContact O-N 2.89Å; I24-L27 PolarHBondContact O-N 3.41Å; I24-Y28 WeakPolarHBondContact O-CB 3.39Å; I24-Y28 PolarHBondContact O-N 3.06Å
25Q96.4Very high93.7Very high5 Ų556.7 Ų56.72%0.02331%0.311CS..Hα-helixtrans-59.5-46.9176178.6166.8-22.100111.2F11 M14 D21 Y28 A29 L47 L51F11-Q25 HydrophobicContact CD2-CB 4.43Å; F11-Q25 HydrophobicContact CE2-CB 4.11Å; F11-Q25 HydrophobicContact CE2-CG 4.02Å; M14-Q25 HydrophobicContact CE-CB 3.87Å; D21-Q25 PolarHBondContact O-N 3.41Å; D21-Q25 VanDerWaalsContact O-N 3.11Å; Q25-Y28 PolarHBondContact O-N 2.66Å; Q25-A29 WeakPolarHBondContact O-CB 3.32Å; Q25-A29 PolarHBondContact O-N 3.32Å; Q25-L47 HydrophobicContact CG-CB 4.41Å; Q25-L47 HydrophobicContact CG-CD2 4.44Å; Q25-L47 PolarHBondContact NE2-O 3.29Å; Q25-L51 HydrophobicContact CG-CB 4.47Å
26F97.6Very high93.8Very high24 Ų2457.9 Ų57.911%0.10532%0.318CS..Hα-helixtrans-58.8-51.8177.4-178.5-102.7000112.1D22 G23 I24 Y28 A29 V30 L48 L51 L60 D63 Y67D22-F26 VanDerWaalsContact O-CB 3.32Å; D22-F26 WeakPolarHBondContact O-CB 3.1Å; D22-F26 PolarHBondContact O-N 3.42Å; G23-F26 PolarHBondContact O-N 3.37Å; I24-F26 VanDerWaalsContact C-N 3.34Å; I24-F26 PolarHBondContact O-N 2.89Å; F26-Y28 VanDerWaalsContact C-N 3.31Å; F26-Y28 PolarHBondContact O-N 2.97Å; F26-A29 PolarHBondContact O-N 2.88Å; F26-A29 VanDerWaalsContact O-N 3.14Å; F26-V30 HydrophobicContact CD1-CG2 4.24Å; F26-V30 HydrophobicContact CD2-CG2 4.43Å; F26-V30 HydrophobicContact CE1-CG2 3.87Å; F26-V30 HydrophobicContact CE2-CG2 4.09Å; F26-V30 HydrophobicContact CZ-CG2 3.8Å; F26-V30 WeakPolarHBondContact O-CG2 3.47Å; F26-V30 PolarHBondContact O-N 3.45Å; F26-L48 HydrophobicContact CD2-CD2 3.95Å; F26-L48 HydrophobicContact CE2-CD2 4.14Å; F26-L51 HydrophobicContact CB-CD2 3.59Å; F26-L51 HydrophobicContact CD2-CD2 3.99Å; F26-L51 HydrophobicContact CG-CD2 4.28Å; F26-L60 HydrophobicContact CB-CD1 4.24Å; F26-L60 HydrophobicContact CD1-CD1 4.32Å; F26-L60 HydrophobicContact CD2-CD1 3.75Å; F26-L60 HydrophobicContact CE2-CD1 4.12Å; F26-L60 HydrophobicContact CG-CD1 3.85Å; F26-D63 HydrophobicContact CE2-CB 3.91Å; F26-D63 HydrophobicContact CZ-CB 3.82Å; F26-Y67 HydrophobicContact CE1-CE2 4.27Å; F26-Y67 AromaticContact CE2-CD2 3.83Å; F26-Y67 HydrophobicContact CE2-CD2 3.83Å; F26-Y67 HydrophobicContact CE2-CE2 4.33Å; F26-Y67 AromaticContact CZ-CD2 3.47Å; F26-Y67 HydrophobicContact CZ-CD2 3.47Å; F26-Y67 VanDerWaalsContact CZ-CD2 3.47Å; F26-Y67 AromaticContact CZ-CE2 3.51Å; F26-Y67 HydrophobicContact CZ-CE2 3.51Å
27L96.2Very high94Very high74 Ų7454.8 Ų54.839%0.38730%0.3SS..Hα-helixtrans-60.1-41.5-178.7-72.8171.5000111.9F7 G23 I24 V30 D31F7-L27 HydrophobicContact CB-CB 4.49Å; F7-L27 HydrophobicContact CD1-CB 3.97Å; F7-L27 HydrophobicContact CD1-CD1 4.22Å; F7-L27 HydrophobicContact CD2-CB 4.13Å; F7-L27 HydrophobicContact CE1-CB 4.21Å; F7-L27 HydrophobicContact CE1-CD1 3.85Å; F7-L27 HydrophobicContact CE2-CB 4.34Å; F7-L27 HydrophobicContact CG-CB 3.93Å; F7-L27 HydrophobicContact CZ-CB 4.38Å; F7-L27 HydrophobicContact CZ-CD1 4.28Å; F7-L27 HydrophobicContact CZ-CD2 4.4Å; G23-L27 WeakPolarHBondContact O-CB 3.3Å; G23-L27 VanDerWaalsContact O-CG 3.27Å; G23-L27 WeakPolarHBondContact O-CG 3.25Å; G23-L27 PolarHBondContact O-N 2.81Å; I24-L27 PolarHBondContact O-N 3.41Å; L27-V30 PolarHBondContact O-N 3.42Å; L27-D31 WeakPolarHBondContact O-CB 3.46Å; L27-D31 PolarHBondContact O-N 3.02Å
28Y97Very high94.2Very high18 Ų1858.4 Ų58.47%0.07131%0.307CS..Hα-helixtrans-65.6-43.5175.4-179.7-130.8000112.1F5 F7 K8 F11 I24 Q25 F26 V30 D31 L32 L43 L47F5-Y28 HydrophobicContact CB-CE2 4.05Å; F5-Y28 HydrophobicContact CG-CE2 4.47Å; F7-Y28 HydrophobicContact CB-CD2 4.39Å; K8-Y28 HydrophobicContact CB-CD2 4.19Å; K8-Y28 HydrophobicContact CB-CE2 3.64Å; K8-Y28 HydrophobicContact CG-CE2 4.01Å; F11-Y28 HydrophobicContact CB-CD1 3.67Å; F11-Y28 HydrophobicContact CB-CE1 4.34Å; F11-Y28 HydrophobicContact CB-CG 3.82Å; F11-Y28 AromaticContact CD1-CD1 3.56Å; F11-Y28 HydrophobicContact CD1-CD1 3.56Å; F11-Y28 AromaticContact CD1-CE1 3.68Å; F11-Y28 HydrophobicContact CD1-CE1 3.68Å; F11-Y28 AromaticContact CD2-CD1 3.72Å; F11-Y28 HydrophobicContact CD2-CD1 3.72Å; F11-Y28 HydrophobicContact CD2-CG 4.34Å; F11-Y28 HydrophobicContact CE1-CD1 4.13Å; F11-Y28 HydrophobicContact CE1-CE1 4.15Å; F11-Y28 HydrophobicContact CE2-CD1 4.28Å; F11-Y28 AromaticContact CG-CD1 3.33Å; F11-Y28 HydrophobicContact CG-CD1 3.33Å; F11-Y28 AromaticContact CG-CE1 3.96Å; F11-Y28 HydrophobicContact CG-CE1 3.96Å; F11-Y28 AromaticContact CG-CG 3.99Å; F11-Y28 HydrophobicContact CG-CG 3.99Å; F11-Y28 HydrophobicContact CZ-CD1 4.47Å; I24-Y28 WeakPolarHBondContact O-CB 3.39Å; I24-Y28 PolarHBondContact O-N 3.06Å; Q25-Y28 PolarHBondContact O-N 2.66Å; F26-Y28 VanDerWaalsContact C-N 3.31Å; F26-Y28 PolarHBondContact O-N 2.97Å; Y28-V30 VanDerWaalsContact C-N 3.32Å; Y28-V30 PolarHBondContact O-N 2.95Å; Y28-D31 PolarHBondContact O-N 3.42Å; Y28-L32 HydrophobicContact CD2-CG 4.46Å; Y28-L32 HydrophobicContact CE1-CD1 4.15Å; Y28-L32 HydrophobicContact CE2-CD1 4.43Å; Y28-L32 HydrophobicContact CE2-CD2 4.09Å; Y28-L32 HydrophobicContact CE2-CG 4.05Å; Y28-L32 WeakPolarHBondContact O-CG 3.44Å; Y28-L32 PolarHBondContact O-N 3.32Å; Y28-L43 HydrophobicContact CE1-CD2 4.47Å; Y28-L47 HydrophobicContact CD1-CD1 3.61Å; Y28-L47 HydrophobicContact CE1-CD1 3.87Å
29A97.3Very high94.6Very high0 Ų061.2 Ų61.20%030%0.303CS..Hα-helixtrans-61.6-39.5177.200000112.3Q25 F26 L32 S44 L47 L48Q25-A29 WeakPolarHBondContact O-CB 3.32Å; Q25-A29 PolarHBondContact O-N 3.32Å; F26-A29 PolarHBondContact O-N 2.88Å; F26-A29 VanDerWaalsContact O-N 3.14Å; A29-L32 WeakPolarHBondContact O-CB 3.47Å; A29-S44 WeakPolarHBondContact O-CB 3.49Å; A29-S44 PolarHBondContact O-OG 3.33Å; A29-L47 HydrophobicContact CB-CB 3.72Å; A29-L47 HydrophobicContact CB-CD1 4.24Å; A29-L48 HydrophobicContact CB-CD2 3.84Å; A29-L48 HydrophobicContact CB-CG 3.8Å
30V96.9Very high95.1Very high32 Ų3255.3 Ų55.319%0.19427%0.273CS..Hα-helixtrans-68.8-39.4175.6173.10000111.7F26 L27 Y28 L32 L33 Y67F26-V30 HydrophobicContact CD1-CG2 4.24Å; F26-V30 HydrophobicContact CD2-CG2 4.43Å; F26-V30 HydrophobicContact CE1-CG2 3.87Å; F26-V30 HydrophobicContact CE2-CG2 4.09Å; F26-V30 HydrophobicContact CZ-CG2 3.8Å; F26-V30 WeakPolarHBondContact O-CG2 3.47Å; F26-V30 PolarHBondContact O-N 3.45Å; L27-V30 PolarHBondContact O-N 3.42Å; Y28-V30 VanDerWaalsContact C-N 3.32Å; Y28-V30 PolarHBondContact O-N 2.95Å; V30-L32 VanDerWaalsContact C-N 3.29Å; V30-L32 PolarHBondContact O-N 3.24Å; V30-L33 VanDerWaalsContact O-CB 3.24Å; V30-L33 WeakPolarHBondContact O-CB 3.46Å; V30-L33 PolarHBondContact O-N 3.4Å; V30-Y67 HydrophobicContact CG1-CD1 4.15Å; V30-Y67 HydrophobicContact CG1-CE1 3.72Å; V30-Y67 HydrophobicContact CG2-CD1 3.93Å; V30-Y67 HydrophobicContact CG2-CD2 3.8Å; V30-Y67 HydrophobicContact CG2-CE1 4.09Å; V30-Y67 HydrophobicContact CG2-CE2 3.99Å; V30-Y67 HydrophobicContact CG2-CG 3.76Å
31D95.4Very high95.6Very high9 Ų949.6 Ų49.65%0.04825%0.246CC..Hα-helixtrans-64.8-34.2178.3-172.851.6000112.1F5 P6 F7 L27 Y28 L33 R34F5-D31 WeakPolarHBondContact CA-OD2 3.35Å; F5-D31 WeakPolarHBondContact CB-OD2 3.19Å; F5-D31 WeakPolarHBondContact CD1-OD2 3.38Å; F5-D31 WeakPolarHBondContact CE1-O 3.35Å; P6-D31 WeakPolarHBondContact CD-OD2 3.42Å; F7-D31 HydrophobicContact CD2-CB 3.98Å; L27-D31 WeakPolarHBondContact O-CB 3.46Å; L27-D31 PolarHBondContact O-N 3.02Å; Y28-D31 PolarHBondContact O-N 3.42Å; D31-L33 PolarHBondContact O-N 2.71Å; D31-R34 WeakPolarHBondContact O-CB 3.43Å; D31-R34 WeakPolarHBondContact O-CG 3.49Å; D31-R34 PolarHBondContact O-N 3.28Å; D31-R34 WeakPolarHBondContact OD1-CD 3.45Å; D31-R34 IonicContact OD1-CZ 3.88Å; D31-R34 IonicContact OD1-NE 3.9Å; D31-R34 IonicContact OD1-NH1 2.74Å; D31-R34 PolarHBondContact OD1-NH1 2.9Å
32L96.5Very high95.8Very high2 Ų250.5 Ų50.51%0.0125%0.25CS..Hα-helixtrans-58.2-28170-71.5170.7000113F5 Y28 A29 V30 R34 T35 A40 L43 L47F5-L32 HydrophobicContact CD1-CD2 4.37Å; F5-L32 HydrophobicContact CD2-CD2 4.08Å; F5-L32 HydrophobicContact CE1-CD2 4.11Å; F5-L32 HydrophobicContact CE2-CD2 3.8Å; F5-L32 HydrophobicContact CG-CD2 4.35Å; F5-L32 HydrophobicContact CZ-CD2 3.81Å; Y28-L32 HydrophobicContact CD2-CG 4.46Å; Y28-L32 HydrophobicContact CE1-CD1 4.15Å; Y28-L32 HydrophobicContact CE2-CD1 4.43Å; Y28-L32 HydrophobicContact CE2-CD2 4.09Å; Y28-L32 HydrophobicContact CE2-CG 4.05Å; Y28-L32 WeakPolarHBondContact O-CG 3.44Å; Y28-L32 PolarHBondContact O-N 3.32Å; A29-L32 WeakPolarHBondContact O-CB 3.47Å; V30-L32 VanDerWaalsContact C-N 3.29Å; V30-L32 PolarHBondContact O-N 3.24Å; L32-R34 PolarHBondContact O-N 3.12Å; L32-T35 VanDerWaalsContact O-CG2 3.3Å; L32-T35 WeakPolarHBondContact O-CG2 3.43Å; L32-A40 HydrophobicContact CD2-CB 4.08Å; L32-L43 HydrophobicContact CD1-CB 4Å; L32-L43 HydrophobicContact CD1-CD2 3.72Å; L32-L43 HydrophobicContact CD1-CG 3.62Å; L32-L43 HydrophobicContact CD2-CD2 4.31Å; L32-L47 HydrophobicContact CD1-CD1 3.97Å
33L96.1Very high95.9Very high13 Ų1351.5 Ų51.57%0.06826%0.255CS..THydrogen-bonded Turntrans-72-6.6177.2-59.5177.7000113.5V30 D31 T35 L41 S44 Y67 V70 A71 K74V30-L33 VanDerWaalsContact O-CB 3.24Å; V30-L33 WeakPolarHBondContact O-CB 3.46Å; V30-L33 PolarHBondContact O-N 3.4Å; D31-L33 PolarHBondContact O-N 2.71Å; L33-T35 PolarHBondContact O-N 2.97Å; L33-L41 HydrophobicContact CD2-CD2 3.8Å; L33-S44 WeakPolarHBondContact CD2-OG 3.48Å; L33-S44 WeakPolarHBondContact CG-OG 3.46Å; L33-Y67 HydrophobicContact CD1-CD1 3.72Å; L33-Y67 HydrophobicContact CD1-CG 4.29Å; L33-V70 HydrophobicContact CD1-CG1 4.4Å; L33-A71 HydrophobicContact CD2-CB 3.49Å; L33-A71 VanDerWaalsContact CD2-CB 3.49Å; L33-K74 PolarHBondContact O-NZ 3.44Å
34R93.8Very high96.1Very high177 Ų17750 Ų5067%0.66824%0.24SC*.THydrogen-bonded Turntrans-71.4-21.7177.7-65.1172.370.4-165.40.8112.9D31 L32D31-R34 WeakPolarHBondContact O-CB 3.43Å; D31-R34 WeakPolarHBondContact O-CG 3.49Å; D31-R34 PolarHBondContact O-N 3.28Å; D31-R34 WeakPolarHBondContact OD1-CD 3.45Å; D31-R34 IonicContact OD1-CZ 3.88Å; D31-R34 IonicContact OD1-NE 3.9Å; D31-R34 IonicContact OD1-NH1 2.74Å; D31-R34 PolarHBondContact OD1-NH1 2.9Å; L32-R34 PolarHBondContact O-N 3.12Å
35T92.8Very high96.2Very high24 Ų2448.4 Ų48.415%0.14723%0.231CC..SBendtrans-95.9174.9176.1-170.60000112F5 L32 L33 R37 A40 K74F5-T35 HydrophobicContact CE1-CG2 4.37Å; F5-T35 HydrophobicContact CZ-CG2 3.95Å; L32-T35 VanDerWaalsContact O-CG2 3.3Å; L32-T35 WeakPolarHBondContact O-CG2 3.43Å; L33-T35 PolarHBondContact O-N 2.97Å; T35-R37 HydrophobicContact CG2-CB 4.19Å; T35-R37 PolarHBondContact OG1-N 3.4Å; T35-A40 HydrophobicContact CG2-CB 3.35Å; T35-K74 PolarHBondContact O-NZ 2.83Å
36T92.5Very high96.3Very high113 Ų11353.5 Ų53.569%0.69325%0.254SS*.  trans-112.91.8172.553.10000112.2K38T36-K38 PolarHBondContact O-N 3.18Å
37R94.7Very high96.3Very high87 Ų8752.8 Ų52.833%0.32825%0.251SS..  trans-64.2125.6178-67.2-168.5-51.4106.2-5.2110.5T35 E39 A40 L41T35-R37 HydrophobicContact CG2-CB 4.19Å; T35-R37 PolarHBondContact OG1-N 3.4Å; R37-E39 IonicContact NH1-OE2 3.84Å; R37-E39 PolarHBondContact NH1-OE2 3.05Å; R37-E39 VanDerWaalsContact NH1-OE2 3.15Å; R37-E39 PolarHBondContact O-N 3.35Å; R37-A40 HydrophobicContact CB-CB 4.33Å; R37-A40 PolarHBondContact O-N 2.9Å; R37-A40 VanDerWaalsContact O-N 3.09Å; R37-L41 WeakPolarHBondContact O-CG 3.37Å; R37-L41 PolarHBondContact O-N 3.33Å
38K95.4Very high96.4Very high144 Ų14449.2 Ų49.263%0.62623%0.232SC*.Hα-helixtrans-56.4-38-177.8-69-173.8176.1-1770112.4T36 A40 L41 N42 L75T36-K38 PolarHBondContact O-N 3.18Å; K38-A40 VanDerWaalsContact C-N 3.34Å; K38-A40 PolarHBondContact O-N 2.98Å; K38-L41 PolarHBondContact O-N 2.96Å; K38-N42 WeakPolarHBondContact O-CB 3.41Å; K38-N42 PolarHBondContact O-N 2.9Å; K38-N42 PolarHBondContact O-ND2 3.03Å; K38-L75 HydrophobicContact CB-CD2 4.31Å; K38-L75 HydrophobicContact CG-CD2 3.97Å
39E96.4Very high96.5Very high122 Ų12252.1 Ų52.157%0.5725%0.246SC*.Hα-helixtrans-65.1-39.8-179.4-49.674.5-150.900111.7R37 L43R37-E39 IonicContact NH1-OE2 3.84Å; R37-E39 PolarHBondContact NH1-OE2 3.05Å; R37-E39 VanDerWaalsContact NH1-OE2 3.15Å; R37-E39 PolarHBondContact O-N 3.35Å; E39-L43 WeakPolarHBondContact O-CB 3.49Å; E39-L43 PolarHBondContact O-N 3.16Å
40A96.2Very high96.4Very high3 Ų356.1 Ų56.13%0.02527%0.265CS..Hα-helixtrans-70.8-39.3177.700000111.8F5 L32 T35 R37 K38 L43 S44F5-A40 HydrophobicContact CZ-CB 4.39Å; L32-A40 HydrophobicContact CD2-CB 4.08Å; T35-A40 HydrophobicContact CG2-CB 3.35Å; R37-A40 HydrophobicContact CB-CB 4.33Å; R37-A40 PolarHBondContact O-N 2.9Å; R37-A40 VanDerWaalsContact O-N 3.09Å; K38-A40 VanDerWaalsContact C-N 3.34Å; K38-A40 PolarHBondContact O-N 2.98Å; A40-L43 PolarHBondContact O-N 3.45Å; A40-S44 WeakPolarHBondContact O-CB 3.33Å; A40-S44 PolarHBondContact O-N 3.11Å
41L97.7Very high96.4Very high0 Ų054.6 Ų54.60%026%0.256CS..Hα-helixtrans-66.1-42.8176.4-62.9178.5000111.6L33 R37 K38 L43 S44 I45 K74 L75L33-L41 HydrophobicContact CD2-CD2 3.8Å; R37-L41 WeakPolarHBondContact O-CG 3.37Å; R37-L41 PolarHBondContact O-N 3.33Å; K38-L41 PolarHBondContact O-N 2.96Å; L41-L43 VanDerWaalsContact C-N 3.34Å; L41-L43 PolarHBondContact O-N 3.33Å; L41-S44 WeakPolarHBondContact O-CB 3.38Å; L41-S44 PolarHBondContact O-N 3.3Å; L41-I45 WeakPolarHBondContact O-CG1 3.33Å; L41-I45 PolarHBondContact O-N 3.07Å; L41-K74 HydrophobicContact CD1-CB 3.66Å; L41-K74 HydrophobicContact CD2-CB 4.27Å; L41-K74 HydrophobicContact CD2-CD 3.97Å; L41-L75 HydrophobicContact CB-CD1 4.16Å; L41-L75 HydrophobicContact CB-CD2 3.96Å; L41-L75 HydrophobicContact CB-CG 4Å; L41-L75 HydrophobicContact CD1-CD2 3.73Å; L41-L75 HydrophobicContact CD1-CG 3.95Å; L41-L75 HydrophobicContact CG-CD2 4.5Å
42N98.1Very high96.4Very high90 Ų9056.2 Ų56.248%0.48126%0.263SS..Hα-helixtrans-63.2-40.8174.9-71.7-21000111.8K38 I45 K46 L75K38-N42 WeakPolarHBondContact O-CB 3.41Å; K38-N42 PolarHBondContact O-N 2.9Å; K38-N42 PolarHBondContact O-ND2 3.03Å; N42-I45 PolarHBondContact O-N 2.86Å; N42-K46 PolarHBondContact O-N 3.37Å; N42-L75 WeakPolarHBondContact OD1-CD1 3.26Å
43L97.5Very high96.3Very high66 Ų6661.7 Ų61.735%0.34629%0.292SS..Hα-helixtrans-64.2-42174.5-179.660.9000111.5Y28 L32 E39 A40 L41 K46 L47Y28-L43 HydrophobicContact CE1-CD2 4.47Å; L32-L43 HydrophobicContact CD1-CB 4Å; L32-L43 HydrophobicContact CD1-CD2 3.72Å; L32-L43 HydrophobicContact CD1-CG 3.62Å; L32-L43 HydrophobicContact CD2-CD2 4.31Å; E39-L43 WeakPolarHBondContact O-CB 3.49Å; E39-L43 PolarHBondContact O-N 3.16Å; A40-L43 PolarHBondContact O-N 3.45Å; L41-L43 VanDerWaalsContact C-N 3.34Å; L41-L43 PolarHBondContact O-N 3.33Å; L43-K46 PolarHBondContact O-N 3.14Å; L43-L47 HydrophobicContact CD1-CD1 4.32Å; L43-L47 HydrophobicContact CD1-CG 4.23Å; L43-L47 HydrophobicContact CG-CD1 4.16Å; L43-L47 HydrophobicContact CG-CG 4.48Å; L43-L47 VanDerWaalsContact O-CG 3.32Å; L43-L47 WeakPolarHBondContact O-CG 3.39Å; L43-L47 PolarHBondContact O-N 3.39Å
44S98Very high96.3Very high0 Ų064.9 Ų64.90%030%0.303CS..Hα-helixtrans-57.8-49.4174.8-179.60000111.5A29 L33 A40 L41 K46 L47 L48A29-S44 WeakPolarHBondContact O-CB 3.49Å; A29-S44 PolarHBondContact O-OG 3.33Å; L33-S44 WeakPolarHBondContact CD2-OG 3.48Å; L33-S44 WeakPolarHBondContact CG-OG 3.46Å; A40-S44 WeakPolarHBondContact O-CB 3.33Å; A40-S44 PolarHBondContact O-N 3.11Å; L41-S44 WeakPolarHBondContact O-CB 3.38Å; L41-S44 PolarHBondContact O-N 3.3Å; S44-K46 PolarHBondContact O-N 3.12Å; S44-L47 PolarHBondContact O-N 3.3Å; S44-L48 WeakPolarHBondContact O-CB 3.36Å; S44-L48 VanDerWaalsContact O-CG 3.32Å; S44-L48 WeakPolarHBondContact O-CG 3.47Å; S44-L48 PolarHBondContact O-N 3.12Å
45I98.6Very high96.3Very high13 Ų1356.8 Ų56.87%0.06727%0.273CS..Hα-helixtrans-55.7-51.6177.3-71.6163000110.4L41 N42 L47 L48 E49 L68 A71 Y72 L75L41-I45 WeakPolarHBondContact O-CG1 3.33Å; L41-I45 PolarHBondContact O-N 3.07Å; N42-I45 PolarHBondContact O-N 2.86Å; I45-L47 VanDerWaalsContact C-N 3.33Å; I45-L47 PolarHBondContact O-N 3.36Å; I45-L48 PolarHBondContact O-N 2.82Å; I45-E49 HydrophobicContact CG2-CG 4.23Å; I45-E49 WeakPolarHBondContact O-CB 2.88Å; I45-E49 WeakPolarHBondContact O-CG 3.35Å; I45-E49 PolarHBondContact O-N 3.26Å; I45-L68 HydrophobicContact CB-CD2 4.18Å; I45-L68 HydrophobicContact CG1-CD2 4.18Å; I45-L68 HydrophobicContact CG2-CD2 3.92Å; I45-A71 HydrophobicContact CD1-CB 4.04Å; I45-A71 HydrophobicContact CG1-CB 3.55Å; I45-Y72 HydrophobicContact CD1-CD1 3.76Å; I45-Y72 HydrophobicContact CD1-CE1 3.72Å; I45-Y72 HydrophobicContact CD1-CG 4.46Å; I45-Y72 HydrophobicContact CG1-CE1 4.28Å; I45-Y72 HydrophobicContact CG2-CE1 4.04Å; I45-L75 HydrophobicContact CD1-CD1 3.43Å; I45-L75 VanDerWaalsContact CD1-CD1 3.43Å
46K97.9Very high96.4Very high113 Ų11365 Ų6549%0.49131%0.307SS..Hα-helixtrans-55-48.6178.8-179.8-178.7172.4-178.10111.9N42 L43 S44 L48 E49 E50N42-K46 PolarHBondContact O-N 3.37Å; L43-K46 PolarHBondContact O-N 3.14Å; S44-K46 PolarHBondContact O-N 3.12Å; K46-L48 PolarHBondContact O-N 2.95Å; K46-E49 PolarHBondContact O-N 2.9Å; K46-E50 WeakPolarHBondContact CE-OE1 3.49Å; K46-E50 IonicContact NZ-OE1 3.3Å; K46-E50 WeakPolarHBondContact O-CB 3.39Å; K46-E50 WeakPolarHBondContact O-CG 3.46Å; K46-E50 PolarHBondContact O-N 3.17Å
47L97.6Very high96.6Very high8 Ų863.8 Ų63.84%0.04230%0.296CS..Hα-helixtrans-65.3-38.2-179.3-68.6175.6000112.3F11 Q25 Y28 A29 L32 L43 S44 I45 L51F11-L47 HydrophobicContact CE1-CD2 4.47Å; F11-L47 HydrophobicContact CE2-CD2 4Å; F11-L47 HydrophobicContact CZ-CD1 4.44Å; F11-L47 HydrophobicContact CZ-CD2 3.6Å; Q25-L47 HydrophobicContact CG-CB 4.41Å; Q25-L47 HydrophobicContact CG-CD2 4.44Å; Q25-L47 PolarHBondContact NE2-O 3.29Å; Y28-L47 HydrophobicContact CD1-CD1 3.61Å; Y28-L47 HydrophobicContact CE1-CD1 3.87Å; A29-L47 HydrophobicContact CB-CB 3.72Å; A29-L47 HydrophobicContact CB-CD1 4.24Å; L32-L47 HydrophobicContact CD1-CD1 3.97Å; L43-L47 HydrophobicContact CD1-CD1 4.32Å; L43-L47 HydrophobicContact CD1-CG 4.23Å; L43-L47 HydrophobicContact CG-CD1 4.16Å; L43-L47 HydrophobicContact CG-CG 4.48Å; L43-L47 VanDerWaalsContact O-CG 3.32Å; L43-L47 WeakPolarHBondContact O-CG 3.39Å; L43-L47 PolarHBondContact O-N 3.39Å; S44-L47 PolarHBondContact O-N 3.3Å; I45-L47 VanDerWaalsContact C-N 3.33Å; I45-L47 PolarHBondContact O-N 3.36Å; L47-L51 VanDerWaalsContact O-CB 3.26Å; L47-L51 WeakPolarHBondContact O-CB 3.31Å; L47-L51 PolarHBondContact O-N 2.94Å
48L98.4Very high96.6Very high0 Ų064.5 Ų64.50%031%0.307CS..Hα-helixtrans-70.7-39.3177.2-69.1169.2000112.1F26 A29 S44 I45 K46 L51 F52 C64 L68F26-L48 HydrophobicContact CD2-CD2 3.95Å; F26-L48 HydrophobicContact CE2-CD2 4.14Å; A29-L48 HydrophobicContact CB-CD2 3.84Å; A29-L48 HydrophobicContact CB-CG 3.8Å; S44-L48 WeakPolarHBondContact O-CB 3.36Å; S44-L48 VanDerWaalsContact O-CG 3.32Å; S44-L48 WeakPolarHBondContact O-CG 3.47Å; S44-L48 PolarHBondContact O-N 3.12Å; I45-L48 PolarHBondContact O-N 2.82Å; K46-L48 PolarHBondContact O-N 2.95Å; L48-L51 PolarHBondContact O-N 2.97Å; L48-F52 VanDerWaalsContact O-CB 3.24Å; L48-F52 WeakPolarHBondContact O-CB 3.46Å; L48-F52 PolarHBondContact O-N 3Å; L48-C64 HydrophobicContact CD2-CB 4.47Å; L48-L68 HydrophobicContact CB-CD1 4.3Å; L48-L68 HydrophobicContact CB-CD2 3.79Å; L48-L68 HydrophobicContact CB-CG 3.77Å; L48-L68 HydrophobicContact CD1-CD2 4.24Å; L48-L68 HydrophobicContact CD1-CG 4.13Å
49E97.8Very high96.6Very high78 Ų7860.3 Ų60.336%0.36430%0.295SS..Hα-helixtrans-65.8-46.3175.6-73.4179.9144.800111.7I45 K46 L51 F52 N53 L68 Y72I45-E49 HydrophobicContact CG2-CG 4.23Å; I45-E49 WeakPolarHBondContact O-CB 2.88Å; I45-E49 WeakPolarHBondContact O-CG 3.35Å; I45-E49 PolarHBondContact O-N 3.26Å; K46-E49 PolarHBondContact O-N 2.9Å; E49-L51 VanDerWaalsContact C-N 3.3Å; E49-L51 PolarHBondContact O-N 2.88Å; E49-F52 PolarHBondContact O-N 3.42Å; E49-N53 WeakPolarHBondContact O-CB 3.49Å; E49-N53 VanDerWaalsContact O-CG 3.3Å; E49-N53 PolarHBondContact O-N 2.96Å; E49-N53 PolarHBondContact O-ND2 3.25Å; E49-L68 HydrophobicContact CG-CD1 4.22Å; E49-L68 HydrophobicContact CG-CD2 3.99Å; E49-Y72 PolarHBondContact OE1-OH 3.28Å
50E96.4Very high96.5Very high85 Ų8555.6 Ų55.640%0.39727%0.274SS..Hα-helixtrans-58.5-44.6175.1-77.3176.1-179.800111K46 N53 R54K46-E50 WeakPolarHBondContact CE-OE1 3.49Å; K46-E50 IonicContact NZ-OE1 3.3Å; K46-E50 WeakPolarHBondContact O-CB 3.39Å; K46-E50 WeakPolarHBondContact O-CG 3.46Å; K46-E50 PolarHBondContact O-N 3.17Å; E50-N53 PolarHBondContact O-N 3.36Å; E50-R54 VanDerWaalsContact O-CB 3.29Å; E50-R54 WeakPolarHBondContact O-CB 3.47Å; E50-R54 PolarHBondContact O-N 2.88Å
51L95.7Very high96.6Very high0 Ų059 Ų590%029%0.286CS..Hα-helixtrans-64.8-47.3177.6-179.759.6000111.9D22 Q25 F26 L47 L48 E49 N53 R54 T55 L60D22-L51 HydrophobicContact CB-CD1 3.66Å; D22-L51 VanDerWaalsContact CG-CD1 3.47Å; Q25-L51 HydrophobicContact CG-CB 4.47Å; F26-L51 HydrophobicContact CB-CD2 3.59Å; F26-L51 HydrophobicContact CD2-CD2 3.99Å; F26-L51 HydrophobicContact CG-CD2 4.28Å; L47-L51 VanDerWaalsContact O-CB 3.26Å; L47-L51 WeakPolarHBondContact O-CB 3.31Å; L47-L51 PolarHBondContact O-N 2.94Å; L48-L51 PolarHBondContact O-N 2.97Å; E49-L51 VanDerWaalsContact C-N 3.3Å; E49-L51 PolarHBondContact O-N 2.88Å; L51-N53 VanDerWaalsContact C-N 3.28Å; L51-N53 PolarHBondContact O-N 3.43Å; L51-R54 PolarHBondContact O-N 3.1Å; L51-T55 WeakPolarHBondContact O-CB 3.5Å; L51-T55 VanDerWaalsContact O-CG2 3.22Å; L51-T55 WeakPolarHBondContact O-CG2 3.32Å; L51-T55 PolarHBondContact O-N 3.33Å; L51-L60 HydrophobicContact CD1-CD2 4.19Å; L51-L60 HydrophobicContact CD2-CD2 4.18Å; L51-L60 HydrophobicContact CD2-CG 4.34Å; L51-L60 HydrophobicContact CG-CD2 4.39Å
52F96Very high96.5Very high43 Ų4361.7 Ų61.719%0.18930%0.296CS..Hα-helixtrans-57-41.4178.2175-94.7000112.4L48 E49 R61 C64 L65L48-F52 VanDerWaalsContact O-CB 3.24Å; L48-F52 WeakPolarHBondContact O-CB 3.46Å; L48-F52 PolarHBondContact O-N 3Å; E49-F52 PolarHBondContact O-N 3.42Å; F52-R61 HydrophobicContact CD2-CB 3.72Å; F52-R61 HydrophobicContact CD2-CG 4.05Å; F52-R61 VanDerWaalsContact CD2-O 3.31Å; F52-R61 WeakPolarHBondContact CD2-O 3.44Å; F52-R61 HydrophobicContact CE2-CB 3.76Å; F52-R61 HydrophobicContact CE2-CG 4.29Å; F52-R61 VanDerWaalsContact O-CZ 3.3Å; F52-R61 PolarHBondContact O-NH1 3.43Å; F52-C64 HydrophobicContact CB-CB 4.03Å; F52-C64 HydrophobicContact CD2-CB 4.31Å; F52-L65 HydrophobicContact CD2-CD2 4.28Å; F52-L65 HydrophobicContact CD2-CG 3.98Å; F52-L65 HydrophobicContact CE2-CD1 3.7Å; F52-L65 HydrophobicContact CE2-CD2 3.92Å; F52-L65 HydrophobicContact CE2-CG 3.58Å; F52-L65 HydrophobicContact CZ-CD1 4.24Å; F52-L65 HydrophobicContact CZ-CD2 4.21Å; F52-L65 HydrophobicContact CZ-CG 4.29Å
53N95.5Very high96.5Very high117 Ų11760.7 Ų60.763%0.62629%0.291SS*.Hα-helixtrans-75.1-33.2-179.2-71.5-41.6000112.6E49 E50 L51E49-N53 WeakPolarHBondContact O-CB 3.49Å; E49-N53 VanDerWaalsContact O-CG 3.3Å; E49-N53 PolarHBondContact O-N 2.96Å; E49-N53 PolarHBondContact O-ND2 3.25Å; E50-N53 PolarHBondContact O-N 3.36Å; L51-N53 VanDerWaalsContact C-N 3.28Å; L51-N53 PolarHBondContact O-N 3.43Å
54R94.6Very high96.5Very high79 Ų7957.6 Ų57.630%0.29828%0.275SS..Hα-helixtrans-81.9-45.8-178.6-178.8-177.271.1-135.110.1112.9D22 E50 L51D22-R54 IonicContact OD1-CZ 3.14Å; D22-R54 VanDerWaalsContact OD1-CZ 3.3Å; D22-R54 IonicContact OD1-NE 2.67Å; D22-R54 PolarHBondContact OD1-NE 3.19Å; D22-R54 VanDerWaalsContact OD1-NE 3.14Å; D22-R54 IonicContact OD1-NH2 3Å; D22-R54 PolarHBondContact OD1-NH2 2.8Å; E50-R54 VanDerWaalsContact O-CB 3.29Å; E50-R54 WeakPolarHBondContact O-CB 3.47Å; E50-R54 PolarHBondContact O-N 2.88Å; L51-R54 PolarHBondContact O-N 3.1Å
55T94.7Very high96.4Very high7 Ų758.3 Ų58.34%0.04328%0.278CS..  trans-71.9147.5-167.9-163.10000112D22 L51 D57 L60 R61D22-T55 WeakPolarHBondContact OD2-CB 3.45Å; D22-T55 PolarHBondContact OD2-OG1 2.63Å; L51-T55 WeakPolarHBondContact O-CB 3.5Å; L51-T55 VanDerWaalsContact O-CG2 3.22Å; L51-T55 WeakPolarHBondContact O-CG2 3.32Å; L51-T55 PolarHBondContact O-N 3.33Å; T55-D57 PolarHBondContact OG1-N 3.36Å; T55-L60 HydrophobicContact CG2-CB 4.45Å; T55-L60 HydrophobicContact CG2-CD2 4.36Å; T55-L60 HydrophobicContact CG2-CG 4.47Å; T55-R61 HydrophobicContact CG2-CG 3.51Å; T55-R61 PolarHBondContact O-NH1 3.13Å
56K94.6Very high96.4Very high197 Ų19759.4 Ų59.486%0.85728%0.283SS*.  trans-100.2-5175.7-62.4-177.6-178.6177.80112.5D58K56-D58 PolarHBondContact O-N 2.88Å
57D96.1Very high96.4Very high88 Ų8857.6 Ų57.647%0.47127%0.273SS..  trans-79.3105.3176.8-176.3-27.5000109.8T55 S59 L60 R61T55-D57 PolarHBondContact OG1-N 3.36Å; D57-S59 PolarHBondContact O-N 3.17Å; D57-S59 WeakPolarHBondContact OD1-CA 3.31Å; D57-S59 WeakPolarHBondContact OD1-CB 3.31Å; D57-S59 PolarHBondContact OD1-N 2.85Å; D57-L60 HydrophobicContact CB-CB 3.87Å; D57-L60 PolarHBondContact O-N 2.99Å; D57-L60 PolarHBondContact OD1-N 3.42Å; D57-R61 VanDerWaalsContact O-CG 3.31Å; D57-R61 WeakPolarHBondContact O-CG 3.44Å; D57-R61 PolarHBondContact O-N 3.34Å
58D94.7Very high96.5Very high102 Ų10257.6 Ų57.655%0.54527%0.273SS..Hα-helixtrans-60.4-29.1179.6-71.1-29000113.5K56 R62K56-D58 PolarHBondContact O-N 2.88Å; D58-R62 WeakPolarHBondContact O-CG 3.29Å; D58-R62 PolarHBondContact O-N 3.06Å; D58-R62 PolarHBondContact O-NE 3.31Å; D58-R62 PolarHBondContact O-NH1 3.49Å
59S95.2Very high96.5Very high56 Ų5657.6 Ų57.639%0.39227%0.273SS..Hα-helixtrans-68.2-50.3174.8-159.50000110.3D57 R61 R62 D63D57-S59 PolarHBondContact O-N 3.17Å; D57-S59 WeakPolarHBondContact OD1-CA 3.31Å; D57-S59 WeakPolarHBondContact OD1-CB 3.31Å; D57-S59 PolarHBondContact OD1-N 2.85Å; S59-R61 VanDerWaalsContact C-N 3.26Å; S59-R61 PolarHBondContact O-N 2.93Å; S59-R62 VanDerWaalsContact CA-NH2 3.3Å; S59-R62 WeakPolarHBondContact O-CB 3.27Å; S59-R62 PolarHBondContact O-N 3.01Å; S59-D63 PolarHBondContact O-N 3.4Å
60L95.9Very high96.5Very high23 Ų2355.7 Ų55.712%0.1227%0.267CS..Hα-helixtrans-62.6-35178.1-171.559.1000112D22 F26 L51 T55 D57 R62 D63 C64D22-L60 HydrophobicContact CB-CD2 3.85Å; F26-L60 HydrophobicContact CB-CD1 4.24Å; F26-L60 HydrophobicContact CD1-CD1 4.32Å; F26-L60 HydrophobicContact CD2-CD1 3.75Å; F26-L60 HydrophobicContact CE2-CD1 4.12Å; F26-L60 HydrophobicContact CG-CD1 3.85Å; L51-L60 HydrophobicContact CD1-CD2 4.19Å; L51-L60 HydrophobicContact CD2-CD2 4.18Å; L51-L60 HydrophobicContact CD2-CG 4.34Å; L51-L60 HydrophobicContact CG-CD2 4.39Å; T55-L60 HydrophobicContact CG2-CB 4.45Å; T55-L60 HydrophobicContact CG2-CD2 4.36Å; T55-L60 HydrophobicContact CG2-CG 4.47Å; D57-L60 HydrophobicContact CB-CB 3.87Å; D57-L60 PolarHBondContact O-N 2.99Å; D57-L60 PolarHBondContact OD1-N 3.42Å; L60-R62 PolarHBondContact O-N 3.36Å; L60-D63 PolarHBondContact O-N 3Å; L60-C64 PolarHBondContact O-N 3.25Å; L60-C64 PolarHBondContact O-SG 3.18Å
61R96.9Very high96.6Very high73 Ų7351.7 Ų51.728%0.27525%0.248SC..Hα-helixtrans-60.7-42.9173-71.6176.374.9119.72.3112.1F52 T55 D57 S59 C64 L65F52-R61 HydrophobicContact CD2-CB 3.72Å; F52-R61 HydrophobicContact CD2-CG 4.05Å; F52-R61 VanDerWaalsContact CD2-O 3.31Å; F52-R61 WeakPolarHBondContact CD2-O 3.44Å; F52-R61 HydrophobicContact CE2-CB 3.76Å; F52-R61 HydrophobicContact CE2-CG 4.29Å; F52-R61 VanDerWaalsContact O-CZ 3.3Å; F52-R61 PolarHBondContact O-NH1 3.43Å; T55-R61 HydrophobicContact CG2-CG 3.51Å; T55-R61 PolarHBondContact O-NH1 3.13Å; D57-R61 VanDerWaalsContact O-CG 3.31Å; D57-R61 WeakPolarHBondContact O-CG 3.44Å; D57-R61 PolarHBondContact O-N 3.34Å; S59-R61 VanDerWaalsContact C-N 3.26Å; S59-R61 PolarHBondContact O-N 2.93Å; R61-C64 WeakPolarHBondContact O-CB 3.48Å; R61-C64 PolarHBondContact O-N 3.33Å; R61-L65 WeakPolarHBondContact O-CG 3.22Å; R61-L65 PolarHBondContact O-N 3.44Å
62R96.4Very high96.6Very high58 Ų5852.8 Ų52.822%0.21925%0.253CS..Hα-helixtrans-66.7-39.9175.9-73.4-179.7-66.2-93.92.3111.6D58 S59 L60 C64 L65 F66 Q92D58-R62 WeakPolarHBondContact O-CG 3.29Å; D58-R62 PolarHBondContact O-N 3.06Å; D58-R62 PolarHBondContact O-NE 3.31Å; D58-R62 PolarHBondContact O-NH1 3.49Å; S59-R62 VanDerWaalsContact CA-NH2 3.3Å; S59-R62 WeakPolarHBondContact O-CB 3.27Å; S59-R62 PolarHBondContact O-N 3.01Å; L60-R62 PolarHBondContact O-N 3.36Å; R62-C64 VanDerWaalsContact C-N 3.32Å; R62-C64 PolarHBondContact O-N 3.06Å; R62-L65 PolarHBondContact O-N 3.35Å; R62-F66 PolarHBondContact O-N 3.39Å; R62-Q92 VanDerWaalsContact NE-NE2 3.17Å
63D97Very high96.7Very high69 Ų6951.3 Ų51.337%0.36925%0.247SC..Hα-helixtrans-62.8-41.1175-64.9-22.4000111F26 S59 L60 L65 F66 Y67F26-D63 HydrophobicContact CE2-CB 3.91Å; F26-D63 HydrophobicContact CZ-CB 3.82Å; S59-D63 PolarHBondContact O-N 3.4Å; L60-D63 PolarHBondContact O-N 3Å; D63-L65 PolarHBondContact O-N 3.15Å; D63-F66 WeakPolarHBondContact O-CB 3.35Å; D63-F66 PolarHBondContact O-N 3.11Å; D63-Y67 VanDerWaalsContact O-CD2 3.27Å; D63-Y67 WeakPolarHBondContact O-CD2 3.24Å; D63-Y67 PolarHBondContact O-N 2.86Å
64C97.8Very high96.7Very high0 Ų049.5 Ų49.50%023%0.234CC..Hα-helixtrans-58.5-47.3173.2-68.50000111.6L48 F52 L60 R61 R62 F66 Y67 L68L48-C64 HydrophobicContact CD2-CB 4.47Å; F52-C64 HydrophobicContact CB-CB 4.03Å; F52-C64 HydrophobicContact CD2-CB 4.31Å; L60-C64 PolarHBondContact O-N 3.25Å; L60-C64 PolarHBondContact O-SG 3.18Å; R61-C64 WeakPolarHBondContact O-CB 3.48Å; R61-C64 PolarHBondContact O-N 3.33Å; R62-C64 VanDerWaalsContact C-N 3.32Å; R62-C64 PolarHBondContact O-N 3.06Å; C64-F66 VanDerWaalsContact C-N 3.29Å; C64-F66 PolarHBondContact O-N 3.01Å; C64-Y67 PolarHBondContact O-N 3.05Å; C64-L68 WeakPolarHBondContact O-CB 3.26Å; C64-L68 VanDerWaalsContact O-CG 3.26Å; C64-L68 WeakPolarHBondContact O-CG 3.42Å; C64-L68 PolarHBondContact O-N 3Å
65L97.6Very high96.7Very high15 Ų1548 Ų488%0.07923%0.231CC..Hα-helixtrans-60.1-39.8175.8-71.4173.5000112F52 R61 R62 D63 L68 A69 C84 N87 I88F52-L65 HydrophobicContact CD2-CD2 4.28Å; F52-L65 HydrophobicContact CD2-CG 3.98Å; F52-L65 HydrophobicContact CE2-CD1 3.7Å; F52-L65 HydrophobicContact CE2-CD2 3.92Å; F52-L65 HydrophobicContact CE2-CG 3.58Å; F52-L65 HydrophobicContact CZ-CD1 4.24Å; F52-L65 HydrophobicContact CZ-CD2 4.21Å; F52-L65 HydrophobicContact CZ-CG 4.29Å; R61-L65 WeakPolarHBondContact O-CG 3.22Å; R61-L65 PolarHBondContact O-N 3.44Å; R62-L65 PolarHBondContact O-N 3.35Å; D63-L65 PolarHBondContact O-N 3.15Å; L65-L68 HydrophobicContact CD2-CD1 4.49Å; L65-L68 PolarHBondContact O-N 3.22Å; L65-A69 PolarHBondContact O-N 3.09Å; L65-C84 WeakPolarHBondContact O-CB 3.38Å; L65-N87 HydrophobicContact CD1-CB 3.96Å; L65-I88 HydrophobicContact CB-CD1 3.76Å; L65-I88 HydrophobicContact CB-CG1 3.72Å; L65-I88 HydrophobicContact CD1-CG1 4.01Å
66F98.3Very high96.7Very high37 Ų3750.2 Ų50.216%0.16225%0.247CC..Hα-helixtrans-62.5-48.8178.5-179.4-91000110.9R62 D63 C64 A69 V70 I88 Q97 V98 L101R62-F66 PolarHBondContact O-N 3.39Å; D63-F66 WeakPolarHBondContact O-CB 3.35Å; D63-F66 PolarHBondContact O-N 3.11Å; C64-F66 VanDerWaalsContact C-N 3.29Å; C64-F66 PolarHBondContact O-N 3.01Å; F66-A69 WeakPolarHBondContact O-CB 3.32Å; F66-A69 PolarHBondContact O-N 2.79Å; F66-V70 HydrophobicContact CE1-CG2 4.23Å; F66-V70 PolarHBondContact O-N 2.88Å; F66-V70 VanDerWaalsContact O-N 3.17Å; F66-I88 HydrophobicContact CB-CD1 4.03Å; F66-Q97 HydrophobicContact CE2-CG 4.04Å; F66-Q97 HydrophobicContact CZ-CG 4.35Å; F66-V98 HydrophobicContact CD2-CG2 4.18Å; F66-L101 HydrophobicContact CD2-CD2 4.07Å; F66-L101 HydrophobicContact CE2-CD2 3.75Å; F66-L101 HydrophobicContact CZ-CD2 4.17Å
67Y98.3Very high96.7Very high75 Ų7543.3 Ų43.329%0.29422%0.22SC..Hα-helixtrans-72.8-27.8179.2-76.3-72.2000113.4F26 V30 L33 D63 C64 V70 A71F26-Y67 HydrophobicContact CE1-CE2 4.27Å; F26-Y67 AromaticContact CE2-CD2 3.83Å; F26-Y67 HydrophobicContact CE2-CD2 3.83Å; F26-Y67 HydrophobicContact CE2-CE2 4.33Å; F26-Y67 AromaticContact CZ-CD2 3.47Å; F26-Y67 HydrophobicContact CZ-CD2 3.47Å; F26-Y67 VanDerWaalsContact CZ-CD2 3.47Å; F26-Y67 AromaticContact CZ-CE2 3.51Å; F26-Y67 HydrophobicContact CZ-CE2 3.51Å; V30-Y67 HydrophobicContact CG1-CD1 4.15Å; V30-Y67 HydrophobicContact CG1-CE1 3.72Å; V30-Y67 HydrophobicContact CG2-CD1 3.93Å; V30-Y67 HydrophobicContact CG2-CD2 3.8Å; V30-Y67 HydrophobicContact CG2-CE1 4.09Å; V30-Y67 HydrophobicContact CG2-CE2 3.99Å; V30-Y67 HydrophobicContact CG2-CG 3.76Å; L33-Y67 HydrophobicContact CD1-CD1 3.72Å; L33-Y67 HydrophobicContact CD1-CG 4.29Å; D63-Y67 VanDerWaalsContact O-CD2 3.27Å; D63-Y67 WeakPolarHBondContact O-CD2 3.24Å; D63-Y67 PolarHBondContact O-N 2.86Å; C64-Y67 PolarHBondContact O-N 3.05Å; Y67-V70 WeakPolarHBondContact O-CB 3.43Å; Y67-V70 PolarHBondContact O-N 3.43Å; Y67-A71 WeakPolarHBondContact O-CB 3.5Å; Y67-A71 PolarHBondContact O-N 3.26Å
68L98.6Very high96.6Very high7 Ų740.1 Ų40.14%0.03720%0.201CC..Hα-helixtrans-62.1-44.8167.8-79.7167.6000111I45 L48 E49 C64 L65 V70 A71 Y72I45-L68 HydrophobicContact CB-CD2 4.18Å; I45-L68 HydrophobicContact CG1-CD2 4.18Å; I45-L68 HydrophobicContact CG2-CD2 3.92Å; L48-L68 HydrophobicContact CB-CD1 4.3Å; L48-L68 HydrophobicContact CB-CD2 3.79Å; L48-L68 HydrophobicContact CB-CG 3.77Å; L48-L68 HydrophobicContact CD1-CD2 4.24Å; L48-L68 HydrophobicContact CD1-CG 4.13Å; E49-L68 HydrophobicContact CG-CD1 4.22Å; E49-L68 HydrophobicContact CG-CD2 3.99Å; C64-L68 WeakPolarHBondContact O-CB 3.26Å; C64-L68 VanDerWaalsContact O-CG 3.26Å; C64-L68 WeakPolarHBondContact O-CG 3.42Å; C64-L68 PolarHBondContact O-N 3Å; L65-L68 HydrophobicContact CD2-CD1 4.49Å; L65-L68 PolarHBondContact O-N 3.22Å; L68-V70 VanDerWaalsContact C-N 3.27Å; L68-V70 PolarHBondContact O-N 3.16Å; L68-A71 WeakPolarHBondContact O-CB 3.37Å; L68-A71 PolarHBondContact O-N 3.26Å; L68-A71 VanDerWaalsContact O-N 3.1Å; L68-Y72 HydrophobicContact CB-CD2 4.29Å; L68-Y72 HydrophobicContact CB-CE2 4.11Å; L68-Y72 HydrophobicContact CD2-CE2 4.04Å; L68-Y72 WeakPolarHBondContact O-CD2 3.43Å; L68-Y72 PolarHBondContact O-N 3.07Å
69A97.8Very high96.6Very high0 Ų041.3 Ų41.30%020%0.203CC..Hα-helixtrans-57.1-43.2175.100000111.4L65 F66 T73 A81 C84 L101 I105L65-A69 PolarHBondContact O-N 3.09Å; F66-A69 WeakPolarHBondContact O-CB 3.32Å; F66-A69 PolarHBondContact O-N 2.79Å; A69-T73 WeakPolarHBondContact O-CB 3.49Å; A69-T73 PolarHBondContact O-N 3.34Å; A69-T73 PolarHBondContact O-OG1 3.23Å; A69-A81 WeakPolarHBondContact O-CB 3.17Å; A69-C84 HydrophobicContact CB-CB 3.74Å; A69-L101 HydrophobicContact CB-CD2 3.98Å; A69-I105 HydrophobicContact CB-CD1 4.49Å
70V98Very high96.6Very high39 Ų3940.8 Ų40.824%0.23620%0.196CC..Hα-helixtrans-62.2-45.6174.6176.10000111.5L33 F66 Y67 L68 T73 K74 L101L33-V70 HydrophobicContact CD1-CG1 4.4Å; F66-V70 HydrophobicContact CE1-CG2 4.23Å; F66-V70 PolarHBondContact O-N 2.88Å; F66-V70 VanDerWaalsContact O-N 3.17Å; Y67-V70 WeakPolarHBondContact O-CB 3.43Å; Y67-V70 PolarHBondContact O-N 3.43Å; L68-V70 VanDerWaalsContact C-N 3.27Å; L68-V70 PolarHBondContact O-N 3.16Å; V70-T73 WeakPolarHBondContact O-CB 3.2Å; V70-T73 PolarHBondContact O-N 3.04Å; V70-K74 WeakPolarHBondContact O-CG 3.38Å; V70-K74 PolarHBondContact O-N 3.29Å; V70-L101 HydrophobicContact CG2-CD2 4.22Å
71A98Very high96.6Very high0 Ų039.7 Ų39.70%019%0.191CC..Hα-helixtrans-61.9-50.8-179.200000112.3L33 I45 Y67 L68 T73 K74 L75L33-A71 HydrophobicContact CD2-CB 3.49Å; L33-A71 VanDerWaalsContact CD2-CB 3.49Å; I45-A71 HydrophobicContact CD1-CB 4.04Å; I45-A71 HydrophobicContact CG1-CB 3.55Å; Y67-A71 WeakPolarHBondContact O-CB 3.5Å; Y67-A71 PolarHBondContact O-N 3.26Å; L68-A71 WeakPolarHBondContact O-CB 3.37Å; L68-A71 PolarHBondContact O-N 3.26Å; L68-A71 VanDerWaalsContact O-N 3.1Å; A71-T73 VanDerWaalsContact C-N 3.32Å; A71-T73 PolarHBondContact O-N 3.46Å; A71-K74 WeakPolarHBondContact O-CB 3.24Å; A71-K74 PolarHBondContact O-N 3.37Å; A71-K74 VanDerWaalsContact O-N 3.13Å; A71-L75 PolarHBondContact O-N 3.48Å; A71-L75 VanDerWaalsContact O-N 3.16Å
72Y97.8Very high96.5Very high24 Ų2437.4 Ų37.49%0.09419%0.185CC..Hα-helixtrans-61.6-39.5176.6-71.7-56.8000111.8I45 E49 L68 K74 L75 S76 D77 N80I45-Y72 HydrophobicContact CD1-CD1 3.76Å; I45-Y72 HydrophobicContact CD1-CE1 3.72Å; I45-Y72 HydrophobicContact CD1-CG 4.46Å; I45-Y72 HydrophobicContact CG1-CE1 4.28Å; I45-Y72 HydrophobicContact CG2-CE1 4.04Å; E49-Y72 PolarHBondContact OE1-OH 3.28Å; L68-Y72 HydrophobicContact CB-CD2 4.29Å; L68-Y72 HydrophobicContact CB-CE2 4.11Å; L68-Y72 HydrophobicContact CD2-CE2 4.04Å; L68-Y72 WeakPolarHBondContact O-CD2 3.43Å; L68-Y72 PolarHBondContact O-N 3.07Å; Y72-K74 VanDerWaalsContact C-N 3.29Å; Y72-K74 PolarHBondContact O-N 3.17Å; Y72-L75 CarbonylContact O-C 3.37Å; Y72-L75 WeakPolarHBondContact O-CA 3.38Å; Y72-L75 PolarHBondContact O-N 3.49Å; Y72-S76 PolarHBondContact O-N 3.26Å; Y72-S76 VanDerWaalsContact O-N 3.11Å; Y72-D77 WeakPolarHBondContact CB-O 3.32Å; Y72-D77 HydrophobicContact CD1-CB 4.07Å; Y72-D77 PolarHBondContact O-N 2.92Å; Y72-N80 HydrophobicContact CD1-CB 3.79Å; Y72-N80 HydrophobicContact CD2-CB 3.71Å; Y72-N80 HydrophobicContact CE1-CB 3.94Å; Y72-N80 HydrophobicContact CE2-CB 3.86Å; Y72-N80 HydrophobicContact CG-CB 3.69Å
73T96Very high96.5Very high11 Ų1138.4 Ų38.47%0.06719%0.188CC..Hα-helixtrans-58.7-40.7174.4-57.40000111.9A69 V70 A71 L75 S76 Y78 A81 I105A69-T73 WeakPolarHBondContact O-CB 3.49Å; A69-T73 PolarHBondContact O-N 3.34Å; A69-T73 PolarHBondContact O-OG1 3.23Å; V70-T73 WeakPolarHBondContact O-CB 3.2Å; V70-T73 PolarHBondContact O-N 3.04Å; A71-T73 VanDerWaalsContact C-N 3.32Å; A71-T73 PolarHBondContact O-N 3.46Å; T73-L75 VanDerWaalsContact C-N 3.28Å; T73-L75 PolarHBondContact O-N 3.07Å; T73-S76 PolarHBondContact O-N 3.17Å; T73-S76 VanDerWaalsContact O-N 3.12Å; T73-Y78 HydrophobicContact CG2-CE1 4.42Å; T73-A81 WeakPolarHBondContact OG1-CB 3.32Å; T73-I105 HydrophobicContact CG2-CG1 4.12Å; T73-I105 WeakPolarHBondContact OG1-CD1 3.27Å; T73-I105 VanDerWaalsContact OG1-CG1 3.25Å; T73-I105 WeakPolarHBondContact OG1-CG1 3.05Å
74K95.9Very high96.5Very high80 Ų8035.6 Ų35.635%0.34817%0.174SC..Hα-helixtrans-68.6-26.4176.8-72-172.9129-163.40113.2L33 T35 L41 V70 A71 Y72 S76L33-K74 PolarHBondContact O-NZ 3.44Å; T35-K74 PolarHBondContact O-NZ 2.83Å; L41-K74 HydrophobicContact CD1-CB 3.66Å; L41-K74 HydrophobicContact CD2-CB 4.27Å; L41-K74 HydrophobicContact CD2-CD 3.97Å; V70-K74 WeakPolarHBondContact O-CG 3.38Å; V70-K74 PolarHBondContact O-N 3.29Å; A71-K74 WeakPolarHBondContact O-CB 3.24Å; A71-K74 PolarHBondContact O-N 3.37Å; A71-K74 VanDerWaalsContact O-N 3.13Å; Y72-K74 VanDerWaalsContact C-N 3.29Å; Y72-K74 PolarHBondContact O-N 3.17Å; K74-S76 VanDerWaalsContact C-N 3.29Å
75L96Very high96.4Very high46 Ų4635.6 Ų35.624%0.24117%0.174CC..THydrogen-bonded Turntrans-85.10.9172.3-70.1175.8000113.5K38 L41 N42 I45 A71 Y72 T73 D77K38-L75 HydrophobicContact CB-CD2 4.31Å; K38-L75 HydrophobicContact CG-CD2 3.97Å; L41-L75 HydrophobicContact CB-CD1 4.16Å; L41-L75 HydrophobicContact CB-CD2 3.96Å; L41-L75 HydrophobicContact CB-CG 4Å; L41-L75 HydrophobicContact CD1-CD2 3.73Å; L41-L75 HydrophobicContact CD1-CG 3.95Å; L41-L75 HydrophobicContact CG-CD2 4.5Å; N42-L75 WeakPolarHBondContact OD1-CD1 3.26Å; I45-L75 HydrophobicContact CD1-CD1 3.43Å; I45-L75 VanDerWaalsContact CD1-CD1 3.43Å; A71-L75 PolarHBondContact O-N 3.48Å; A71-L75 VanDerWaalsContact O-N 3.16Å; Y72-L75 CarbonylContact O-C 3.37Å; Y72-L75 WeakPolarHBondContact O-CA 3.38Å; Y72-L75 PolarHBondContact O-N 3.49Å; T73-L75 VanDerWaalsContact C-N 3.28Å; T73-L75 PolarHBondContact O-N 3.07Å; L75-D77 PolarHBondContact O-N 3.39Å
76S94.2Very high96.4Very high55 Ų5537 Ų3739%0.38518%0.182SC..THydrogen-bonded Turntrans59.920.7-171.1-50.50000114Y72 T73 K74 Y78Y72-S76 PolarHBondContact O-N 3.26Å; Y72-S76 VanDerWaalsContact O-N 3.11Å; T73-S76 PolarHBondContact O-N 3.17Å; T73-S76 VanDerWaalsContact O-N 3.12Å; K74-S76 VanDerWaalsContact C-N 3.29Å; S76-Y78 VanDerWaalsContact C-N 3.27Å; S76-Y78 WeakPolarHBondContact O-CD2 3.18Å; S76-Y78 PolarHBondContact O-N 2.96Å; S76-Y78 VanDerWaalsContact O-N 3.11Å
77D94.3Very high96.3Very high52 Ų5237.6 Ų37.628%0.27819%0.186SC..  trans-85.373.1171.2-172.4-14.9000109.2Y72 L75 E79 N80 A81Y72-D77 WeakPolarHBondContact CB-O 3.32Å; Y72-D77 HydrophobicContact CD1-CB 4.07Å; Y72-D77 PolarHBondContact O-N 2.92Å; L75-D77 PolarHBondContact O-N 3.39Å; D77-E79 PolarHBondContact O-N 2.84Å; D77-N80 VanDerWaalsContact CG-ND2 3.32Å; D77-N80 WeakPolarHBondContact OD1-CB 3.3Å; D77-N80 PolarHBondContact OD1-N 3.5Å; D77-N80 VanDerWaalsContact OD1-N 3.16Å; D77-N80 PolarHBondContact OD1-ND2 3.46Å; D77-N80 PolarHBondContact OD2-ND2 2.81Å; D77-A81 WeakPolarHBondContact O-CB 3.39Å; D77-A81 PolarHBondContact O-N 3.34Å
78Y94.7Very high96.1Very high20 Ų2034.2 Ų34.28%0.07817%0.173CC..Hα-helixtrans-69.9-22.7-173.2-55.3-60.5000113.2T73 S76 T82 I105 R108 A109 V112 M114T73-Y78 HydrophobicContact CG2-CE1 4.42Å; S76-Y78 VanDerWaalsContact C-N 3.27Å; S76-Y78 WeakPolarHBondContact O-CD2 3.18Å; S76-Y78 PolarHBondContact O-N 2.96Å; S76-Y78 VanDerWaalsContact O-N 3.11Å; Y78-T82 WeakPolarHBondContact O-CB 3.37Å; Y78-T82 PolarHBondContact O-N 2.96Å; Y78-T82 PolarHBondContact O-OG1 2.91Å; Y78-I105 HydrophobicContact CD1-CG2 4.12Å; Y78-R108 HydrophobicContact CE1-CB 3.81Å; Y78-A109 HydrophobicContact CD2-CB 3.77Å; Y78-A109 HydrophobicContact CE2-CB 4.48Å; Y78-A109 HydrophobicContact CG-CB 3.81Å; Y78-V112 HydrophobicContact CE2-CB 4.45Å; Y78-V112 HydrophobicContact CE2-CG2 4.26Å; Y78-M114 HydrophobicContact CD2-CE 4.15Å; Y78-M114 HydrophobicContact CD2-SD 3.9Å; Y78-M114 HydrophobicContact CE2-SD 3.98Å
79E93.2Very high95.9Very high127 Ų12735.2 Ų35.259%0.59318%0.179SC*.Hα-helixtrans-68.2-55177.3-170.5-170149.400110.2D77 A81 T82 R83D77-E79 PolarHBondContact O-N 2.84Å; E79-A81 VanDerWaalsContact C-N 3.31Å; E79-A81 PolarHBondContact O-N 3.04Å; E79-T82 PolarHBondContact O-N 3.23Å; E79-R83 WeakPolarHBondContact O-CB 3.33Å; E79-R83 PolarHBondContact O-N 3.33Å; E79-R83 IonicContact OE1-CZ 3.22Å; E79-R83 IonicContact OE1-NH1 3.35Å; E79-R83 IonicContact OE1-NH2 3.7Å; E79-R83 PolarHBondContact OE1-NH2 3.43Å
80N95.6Very high95.8Very high46 Ų4639.1 Ų39.125%0.24621%0.211CC..Hα-helixtrans-64.6-37.2177-75.1-51.6000111.6Y72 D77 T82 R83 C84Y72-N80 HydrophobicContact CD1-CB 3.79Å; Y72-N80 HydrophobicContact CD2-CB 3.71Å; Y72-N80 HydrophobicContact CE1-CB 3.94Å; Y72-N80 HydrophobicContact CE2-CB 3.86Å; Y72-N80 HydrophobicContact CG-CB 3.69Å; D77-N80 VanDerWaalsContact CG-ND2 3.32Å; D77-N80 WeakPolarHBondContact OD1-CB 3.3Å; D77-N80 PolarHBondContact OD1-N 3.5Å; D77-N80 VanDerWaalsContact OD1-N 3.16Å; D77-N80 PolarHBondContact OD1-ND2 3.46Å; D77-N80 PolarHBondContact OD2-ND2 2.81Å; N80-T82 PolarHBondContact O-N 3.42Å; N80-R83 PolarHBondContact O-N 2.81Å; N80-R83 PolarHBondContact OD1-NH1 3.23Å; N80-C84 PolarHBondContact O-N 2.65Å; N80-C84 PolarHBondContact O-SG 2.83Å; N80-C84 VanDerWaalsContact O-SG 3.33Å
81A96.2Very high95.5Very high0 Ų042.3 Ų42.30%023%0.226CC..Hα-helixtrans-59.7-45.5175.400000112.6A69 T73 D77 E79 C84 C85 I105A69-A81 WeakPolarHBondContact O-CB 3.17Å; T73-A81 WeakPolarHBondContact OG1-CB 3.32Å; D77-A81 WeakPolarHBondContact O-CB 3.39Å; D77-A81 PolarHBondContact O-N 3.34Å; E79-A81 VanDerWaalsContact C-N 3.31Å; E79-A81 PolarHBondContact O-N 3.04Å; A81-C84 PolarHBondContact O-N 3.39Å; A81-C85 PolarHBondContact O-N 3.05Å; A81-I105 HydrophobicContact CB-CD1 3.79Å; A81-I105 HydrophobicContact CB-CG1 4.3Å; A81-I105 HydrophobicContact CB-CG2 4.03Å
82T95.8Very high95.3Very high25 Ų2545.4 Ų45.415%0.15324%0.24CC..Hα-helixtrans-65-42.8178.4-57.60000111.2Y78 E79 N80 C84 C85 D86 R102 I105Y78-T82 WeakPolarHBondContact O-CB 3.37Å; Y78-T82 PolarHBondContact O-N 2.96Å; Y78-T82 PolarHBondContact O-OG1 2.91Å; E79-T82 PolarHBondContact O-N 3.23Å; N80-T82 PolarHBondContact O-N 3.42Å; T82-C84 VanDerWaalsContact C-N 3.32Å; T82-C84 PolarHBondContact O-N 2.63Å; T82-C85 WeakPolarHBondContact O-CB 3.46Å; T82-C85 PolarHBondContact O-N 3.49Å; T82-C85 VanDerWaalsContact O-N 3.12Å; T82-D86 PolarHBondContact O-N 2.79Å; T82-R102 HydrophobicContact CG2-CG 4.41Å; T82-I105 WeakPolarHBondContact OG1-CG2 3.35Å
83R96.1Very high95Very high78 Ų7849 Ų4929%0.29427%0.266SS..Hα-helixtrans-58.4-42.2177.7-177.8-178.5-72.3136.55.6112.3E79 N80 D86 N87 V124E79-R83 WeakPolarHBondContact O-CB 3.33Å; E79-R83 PolarHBondContact O-N 3.33Å; E79-R83 IonicContact OE1-CZ 3.22Å; E79-R83 IonicContact OE1-NH1 3.35Å; E79-R83 IonicContact OE1-NH2 3.7Å; E79-R83 PolarHBondContact OE1-NH2 3.43Å; N80-R83 PolarHBondContact O-N 2.81Å; N80-R83 PolarHBondContact OD1-NH1 3.23Å; R83-D86 PolarHBondContact O-N 2.99Å; R83-N87 PolarHBondContact O-N 2.79Å; R83-V124 HydrophobicContact CG-CG2 3.18Å
84C96.7Very high94.9Very high10 Ų1053.8 Ų53.87%0.06830%0.301CS..Hα-helixtrans-60.2-45.4174.2-70.70000112L65 A69 N80 A81 T82 N87 I88L65-C84 WeakPolarHBondContact O-CB 3.38Å; A69-C84 HydrophobicContact CB-CB 3.74Å; N80-C84 PolarHBondContact O-N 2.65Å; N80-C84 PolarHBondContact O-SG 2.83Å; N80-C84 VanDerWaalsContact O-SG 3.33Å; A81-C84 PolarHBondContact O-N 3.39Å; T82-C84 VanDerWaalsContact C-N 3.32Å; T82-C84 PolarHBondContact O-N 2.63Å; C84-N87 PolarHBondContact O-N 3.24Å; C84-I88 PolarHBondContact O-N 3.41Å
85C95.7Very high94.8Very high0 Ų051.7 Ų51.70%029%0.293CS..Hα-helixtrans-62.6-44.5175.8-66.30000112.3A81 T82 N87 I88 L89 V98 R102A81-C85 PolarHBondContact O-N 3.05Å; T82-C85 WeakPolarHBondContact O-CB 3.46Å; T82-C85 PolarHBondContact O-N 3.49Å; T82-C85 VanDerWaalsContact O-N 3.12Å; C85-N87 VanDerWaalsContact C-N 3.29Å; C85-N87 PolarHBondContact O-N 3.19Å; C85-I88 PolarHBondContact O-N 3.29Å; C85-I88 VanDerWaalsContact O-N 3.14Å; C85-L89 WeakPolarHBondContact O-CG 3.34Å; C85-L89 PolarHBondContact O-N 2.9Å; C85-V98 HydrophobicContact CB-CG1 3.82Å; C85-R102 HydrophobicContact CB-CB 3.85Å; C85-R102 HydrophobicContact CB-CG 4.08Å
86D96.9Very high94.8Very high46 Ų4655.6 Ų55.625%0.24631%0.31CS..Hα-helixtrans-60.1-39.5179.7-73.6-20.3000111.7T82 R83 I88 L89 A90 R102T82-D86 PolarHBondContact O-N 2.79Å; R83-D86 PolarHBondContact O-N 2.99Å; D86-I88 VanDerWaalsContact C-N 3.33Å; D86-I88 PolarHBondContact O-N 2.87Å; D86-L89 PolarHBondContact O-N 3.21Å; D86-A90 WeakPolarHBondContact O-CB 3.42Å; D86-A90 PolarHBondContact O-N 3.32Å; D86-R102 IonicContact OD1-CZ 2.66Å; D86-R102 IonicContact OD1-NE 3.15Å; D86-R102 PolarHBondContact OD1-NE 3.23Å; D86-R102 IonicContact OD1-NH2 3.92Å; D86-R102 PolarHBondContact OD1-NH2 3.46Å; D86-R102 IonicContact OD2-NH2 3.84Å
87N95.5Very high94.8Very high48 Ų4858.8 Ų58.826%0.25732%0.319SS..Hα-helixtrans-62.6-38.1176.2-74.1-17.6000112.6L65 R83 C84 C85L65-N87 HydrophobicContact CD1-CB 3.96Å; R83-N87 PolarHBondContact O-N 2.79Å; C84-N87 PolarHBondContact O-N 3.24Å; C85-N87 VanDerWaalsContact C-N 3.29Å; C85-N87 PolarHBondContact O-N 3.19Å
88I94.5Very high94.9Very high4 Ų456.4 Ų56.42%0.02131%0.306CS..Hα-helixtrans-71.4-44.6176.4-57.1164.8000110.1L65 F66 C84 C85 D86 A90 I91 Q92 V98L65-I88 HydrophobicContact CB-CD1 3.76Å; L65-I88 HydrophobicContact CB-CG1 3.72Å; L65-I88 HydrophobicContact CD1-CG1 4.01Å; F66-I88 HydrophobicContact CB-CD1 4.03Å; C84-I88 PolarHBondContact O-N 3.41Å; C85-I88 PolarHBondContact O-N 3.29Å; C85-I88 VanDerWaalsContact O-N 3.14Å; D86-I88 VanDerWaalsContact C-N 3.33Å; D86-I88 PolarHBondContact O-N 2.87Å; I88-A90 VanDerWaalsContact C-N 3.27Å; I88-A90 PolarHBondContact O-N 3.05Å; I88-I91 PolarHBondContact O-N 3.18Å; I88-Q92 PolarHBondContact O-N 3.45Å; I88-V98 HydrophobicContact CB-CG1 4.12Å; I88-V98 HydrophobicContact CB-CG2 4.3Å; I88-V98 HydrophobicContact CD1-CG1 4.32Å; I88-V98 HydrophobicContact CD1-CG2 4.15Å; I88-V98 HydrophobicContact CG2-CG1 4.39Å; I88-V98 HydrophobicContact CG2-CG2 3.76Å
89L95.3Very high95Very high29 Ų2959.9 Ų59.915%0.15232%0.323CS..Hα-helixtrans-66.2-27.1-179.9-69.7170.1000112.9C85 D86 I91 Q92 P93 N95 V98 E99C85-L89 WeakPolarHBondContact O-CG 3.34Å; C85-L89 PolarHBondContact O-N 2.9Å; D86-L89 PolarHBondContact O-N 3.21Å; L89-I91 PolarHBondContact O-N 3.3Å; L89-Q92 CarbonylContact O-C 3.46Å; L89-P93 WeakPolarHBondContact O-CA 3.02Å; L89-P93 WeakPolarHBondContact O-CD 3.33Å; L89-P93 WeakPolarHBondContact O-CG 3.43Å; L89-P93 VanDerWaalsContact O-N 3.08Å; L89-N95 HydrophobicContact CD2-CB 4.43Å; L89-V98 HydrophobicContact CD1-CG1 4.17Å; L89-V98 HydrophobicContact CD2-CB 4.09Å; L89-V98 HydrophobicContact CD2-CG1 4.09Å; L89-V98 HydrophobicContact CG-CB 4.3Å; L89-V98 HydrophobicContact CG-CG1 3.74Å; L89-E99 HydrophobicContact CD2-CB 4.44Å
90A95.1Very high95.2Very high82 Ų8258.8 Ų58.868%0.67832%0.318SS*.Hα-helixtrans-61.6-31.3172.300000112.4D86 I88D86-A90 WeakPolarHBondContact O-CB 3.42Å; D86-A90 PolarHBondContact O-N 3.32Å; I88-A90 VanDerWaalsContact C-N 3.27Å; I88-A90 PolarHBondContact O-N 3.05Å
91I93.1Very high95.2Very high106 Ų10658 Ų5854%0.54431%0.314SS..Hα-helixtrans-93.7-38.5179-56.7168.6000110.6I88 L89I88-I91 PolarHBondContact O-N 3.18Å; L89-I91 PolarHBondContact O-N 3.3Å
92Q92Very high95.2Very high65 Ų6560.7 Ų60.730%0.30432%0.324SS..  trans-12775.4-177.3-59.3-178.7700110.8R62 I88 L89 S94 N95R62-Q92 VanDerWaalsContact NE-NE2 3.17Å; I88-Q92 PolarHBondContact O-N 3.45Å; L89-Q92 CarbonylContact O-C 3.46Å; Q92-S94 PolarHBondContact O-N 3.14Å; Q92-S94 VanDerWaalsContact O-N 3.11Å; Q92-N95 HydrophobicContact CB-CB 3.95Å; Q92-N95 VanDerWaalsContact O-CB 3.31Å; Q92-N95 WeakPolarHBondContact O-CB 3.34Å; Q92-N95 PolarHBondContact O-N 2.97Å; Q92-N95 PolarHBondContact OE1-ND2 3.14Å
93P92.8Very high95.2Very high98 Ų9862.9 Ų62.964%0.63634%0.335SS*.THydrogen-bonded Turntrans-62.5-23.6-174.4-2332.8000114.2L89L89-P93 WeakPolarHBondContact O-CA 3.02Å; L89-P93 WeakPolarHBondContact O-CD 3.33Å; L89-P93 WeakPolarHBondContact O-CG 3.43Å; L89-P93 VanDerWaalsContact O-N 3.08Å
94S93.7Very high95.1Very high113 Ų11362.2 Ų62.279%0.7934%0.339SS*.THydrogen-bonded Turntrans-93.912.6179.263.60000113.4Q92 Q96Q92-S94 PolarHBondContact O-N 3.14Å; Q92-S94 VanDerWaalsContact O-N 3.11Å; S94-Q96 PolarHBondContact O-N 3.36Å
95N93.9Very high95Very high35 Ų3561.8 Ų61.819%0.18734%0.336CS..  trans-76.789.5177.7-169.8-35000110.2L89 Q92 Q97 V98 E99L89-N95 HydrophobicContact CD2-CB 4.43Å; Q92-N95 HydrophobicContact CB-CB 3.95Å; Q92-N95 VanDerWaalsContact O-CB 3.31Å; Q92-N95 WeakPolarHBondContact O-CB 3.34Å; Q92-N95 PolarHBondContact O-N 2.97Å; Q92-N95 PolarHBondContact OE1-ND2 3.14Å; N95-Q97 PolarHBondContact O-N 2.67Å; N95-Q97 WeakPolarHBondContact OD1-CB 3.45Å; N95-Q97 PolarHBondContact OD1-N 2.95Å; N95-V98 HydrophobicContact CB-CB 4.33Å; N95-V98 HydrophobicContact CB-CG2 4.22Å; N95-V98 PolarHBondContact O-N 2.65Å; N95-V98 VanDerWaalsContact O-N 3.16Å; N95-V98 WeakPolarHBondContact OD1-CG2 3.49Å; N95-V98 PolarHBondContact OD1-N 3.24Å; N95-E99 PolarHBondContact O-N 3.49Å
96Q95.1Very high94.9Very high128 Ų12864.2 Ų64.260%0.59835%0.348SS*.Hα-helixtrans-58-35.8-177.8-170.5-177-38.400112.4S94 V98 E99 E100S94-Q96 PolarHBondContact O-N 3.36Å; Q96-V98 VanDerWaalsContact C-N 3.34Å; Q96-V98 PolarHBondContact O-N 2.97Å; Q96-E99 PolarHBondContact O-N 3.46Å; Q96-E100 HydrophobicContact CG-CG 4.39Å; Q96-E100 WeakPolarHBondContact CG-OE1 3.44Å; Q96-E100 PolarHBondContact NE2-OE1 3.36Å; Q96-E100 WeakPolarHBondContact O-CB 3.49Å; Q96-E100 WeakPolarHBondContact O-CG 3.35Å; Q96-E100 PolarHBondContact O-N 2.95Å
97Q95Very high94.6Very high122 Ų12264.9 Ų64.957%0.5736%0.356SS*.Hα-helixtrans-61.8-43.2178.9-173.6-173.320.900111.7F66 N95 L101F66-Q97 HydrophobicContact CE2-CG 4.04Å; F66-Q97 HydrophobicContact CZ-CG 4.35Å; N95-Q97 PolarHBondContact O-N 2.67Å; N95-Q97 WeakPolarHBondContact OD1-CB 3.45Å; N95-Q97 PolarHBondContact OD1-N 2.95Å; Q97-L101 PolarHBondContact O-N 2.98Å; Q97-L101 VanDerWaalsContact O-N 3.12Å
98V96.4Very high94.3Very high2 Ų268.5 Ų68.51%0.01237%0.366CS..Hα-helixtrans-71.7-37.5178.7179.20000110.8F66 C85 I88 L89 N95 Q96 L101 R102F66-V98 HydrophobicContact CD2-CG2 4.18Å; C85-V98 HydrophobicContact CB-CG1 3.82Å; I88-V98 HydrophobicContact CB-CG1 4.12Å; I88-V98 HydrophobicContact CB-CG2 4.3Å; I88-V98 HydrophobicContact CD1-CG1 4.32Å; I88-V98 HydrophobicContact CD1-CG2 4.15Å; I88-V98 HydrophobicContact CG2-CG1 4.39Å; I88-V98 HydrophobicContact CG2-CG2 3.76Å; L89-V98 HydrophobicContact CD1-CG1 4.17Å; L89-V98 HydrophobicContact CD2-CB 4.09Å; L89-V98 HydrophobicContact CD2-CG1 4.09Å; L89-V98 HydrophobicContact CG-CB 4.3Å; L89-V98 HydrophobicContact CG-CG1 3.74Å; N95-V98 HydrophobicContact CB-CB 4.33Å; N95-V98 HydrophobicContact CB-CG2 4.22Å; N95-V98 PolarHBondContact O-N 2.65Å; N95-V98 VanDerWaalsContact O-N 3.16Å; N95-V98 WeakPolarHBondContact OD1-CG2 3.49Å; N95-V98 PolarHBondContact OD1-N 3.24Å; Q96-V98 VanDerWaalsContact C-N 3.34Å; Q96-V98 PolarHBondContact O-N 2.97Å; V98-L101 PolarHBondContact O-N 2.89Å; V98-R102 WeakPolarHBondContact O-CB 3.35Å; V98-R102 PolarHBondContact O-N 3.45Å
99E97Very high94Very high94 Ų9468.8 Ų68.844%0.43937%0.369SS..Hα-helixtrans-62-44.9175.5-172.9174.3-161.400111.9L89 N95 Q96 R102 N103L89-E99 HydrophobicContact CD2-CB 4.44Å; N95-E99 PolarHBondContact O-N 3.49Å; Q96-E99 PolarHBondContact O-N 3.46Å; E99-R102 WeakPolarHBondContact O-CB 3.25Å; E99-R102 PolarHBondContact O-N 3.39Å; E99-N103 WeakPolarHBondContact O-CB 3.4Å; E99-N103 PolarHBondContact O-N 2.82Å; E99-N103 PolarHBondContact O-ND2 3.43Å
100E96.3Very high93.5Very high104 Ų10473.4 Ų73.449%0.48639%0.388SS..Hα-helixtrans-61.9-43.2175.4-74.5174.4-169.700112.3Q96 N103 T104Q96-E100 HydrophobicContact CG-CG 4.39Å; Q96-E100 WeakPolarHBondContact CG-OE1 3.44Å; Q96-E100 PolarHBondContact NE2-OE1 3.36Å; Q96-E100 WeakPolarHBondContact O-CB 3.49Å; Q96-E100 WeakPolarHBondContact O-CG 3.35Å; Q96-E100 PolarHBondContact O-N 2.95Å; E100-N103 PolarHBondContact O-N 3.39Å; E100-T104 WeakPolarHBondContact O-CB 3.27Å; E100-T104 PolarHBondContact O-N 3.4Å; E100-T104 PolarHBondContact O-OG1 3.14Å
101L96Very high92.8Very high29 Ų2976.2 Ų76.215%0.15239%0.392CS..Hα-helixtrans-60.6-47.4174.8176.258.9000110.8F66 A69 V70 Q97 V98 N103 T104 I105F66-L101 HydrophobicContact CD2-CD2 4.07Å; F66-L101 HydrophobicContact CE2-CD2 3.75Å; F66-L101 HydrophobicContact CZ-CD2 4.17Å; A69-L101 HydrophobicContact CB-CD2 3.98Å; V70-L101 HydrophobicContact CG2-CD2 4.22Å; Q97-L101 PolarHBondContact O-N 2.98Å; Q97-L101 VanDerWaalsContact O-N 3.12Å; V98-L101 PolarHBondContact O-N 2.89Å; L101-N103 PolarHBondContact O-N 2.98Å; L101-T104 WeakPolarHBondContact O-CB 3.13Å; L101-T104 PolarHBondContact O-N 2.91Å; L101-I105 HydrophobicContact CD1-CD1 4.08Å; L101-I105 HydrophobicContact CD1-CG1 4.36Å; L101-I105 HydrophobicContact CG-CD1 3.89Å; L101-I105 VanDerWaalsContact O-CG1 3.3Å; L101-I105 WeakPolarHBondContact O-CG1 3.37Å; L101-I105 PolarHBondContact O-N 3.21Å
102R96.5Very high92Very high57 Ų5775.4 Ų75.422%0.21539%0.391CS..Hα-helixtrans-59.7-44.8177.8-174.2-178.1-179.6-93.77.4112.2T82 C85 D86 V98 E99 T104 I105 Q106T82-R102 HydrophobicContact CG2-CG 4.41Å; C85-R102 HydrophobicContact CB-CB 3.85Å; C85-R102 HydrophobicContact CB-CG 4.08Å; D86-R102 IonicContact OD1-CZ 2.66Å; D86-R102 IonicContact OD1-NE 3.15Å; D86-R102 PolarHBondContact OD1-NE 3.23Å; D86-R102 IonicContact OD1-NH2 3.92Å; D86-R102 PolarHBondContact OD1-NH2 3.46Å; D86-R102 IonicContact OD2-NH2 3.84Å; V98-R102 WeakPolarHBondContact O-CB 3.35Å; V98-R102 PolarHBondContact O-N 3.45Å; E99-R102 WeakPolarHBondContact O-CB 3.25Å; E99-R102 PolarHBondContact O-N 3.39Å; R102-T104 VanDerWaalsContact C-N 3.28Å; R102-T104 PolarHBondContact O-N 3.06Å; R102-I105 WeakPolarHBondContact O-CB 3.26Å; R102-I105 PolarHBondContact O-N 3.05Å; R102-Q106 WeakPolarHBondContact O-CG 3.4Å; R102-Q106 PolarHBondContact O-N 2.85Å
103N95.5Very high90.6Very high71 Ų7175.2 Ų75.238%0.3841%0.407SS..Hα-helixtrans-63.4-37.4177.3-71.9-24.3000111.6E99 E100 L101 S107E99-N103 WeakPolarHBondContact O-CB 3.4Å; E99-N103 PolarHBondContact O-N 2.82Å; E99-N103 PolarHBondContact O-ND2 3.43Å; E100-N103 PolarHBondContact O-N 3.39Å; L101-N103 PolarHBondContact O-N 2.98Å; N103-S107 WeakPolarHBondContact O-CB 3.49Å; N103-S107 PolarHBondContact O-N 3.11Å; N103-S107 PolarHBondContact O-OG 3.42Å
104T94.4Very high88.8Confident64 Ų6475.5 Ų75.539%0.39340%0.401SS..Hα-helixtrans-64.6-44.4174.3-59.80000111.4E100 L101 R102 S107 R108E100-T104 WeakPolarHBondContact O-CB 3.27Å; E100-T104 PolarHBondContact O-N 3.4Å; E100-T104 PolarHBondContact O-OG1 3.14Å; L101-T104 WeakPolarHBondContact O-CB 3.13Å; L101-T104 PolarHBondContact O-N 2.91Å; R102-T104 VanDerWaalsContact C-N 3.28Å; R102-T104 PolarHBondContact O-N 3.06Å; T104-S107 PolarHBondContact O-N 3.01Å; T104-R108 WeakPolarHBondContact O-CG 2.95Å; T104-R108 PolarHBondContact O-N 3.16Å
105I94.4Very high86.9Confident0 Ų074 Ų740%039%0.387CS..Hα-helixtrans-58.7-50.4176.3-71.3162.7000110.5A69 T73 Y78 A81 T82 L101 R102 S107 R108 A109A69-I105 HydrophobicContact CB-CD1 4.49Å; T73-I105 HydrophobicContact CG2-CG1 4.12Å; T73-I105 WeakPolarHBondContact OG1-CD1 3.27Å; T73-I105 VanDerWaalsContact OG1-CG1 3.25Å; T73-I105 WeakPolarHBondContact OG1-CG1 3.05Å; Y78-I105 HydrophobicContact CD1-CG2 4.12Å; A81-I105 HydrophobicContact CB-CD1 3.79Å; A81-I105 HydrophobicContact CB-CG1 4.3Å; A81-I105 HydrophobicContact CB-CG2 4.03Å; T82-I105 WeakPolarHBondContact OG1-CG2 3.35Å; L101-I105 HydrophobicContact CD1-CD1 4.08Å; L101-I105 HydrophobicContact CD1-CG1 4.36Å; L101-I105 HydrophobicContact CG-CD1 3.89Å; L101-I105 VanDerWaalsContact O-CG1 3.3Å; L101-I105 WeakPolarHBondContact O-CG1 3.37Å; L101-I105 PolarHBondContact O-N 3.21Å; R102-I105 WeakPolarHBondContact O-CB 3.26Å; R102-I105 PolarHBondContact O-N 3.05Å; I105-S107 VanDerWaalsContact C-N 3.32Å; I105-S107 PolarHBondContact O-N 2.75Å; I105-R108 PolarHBondContact O-N 3.4Å; I105-A109 PolarHBondContact O-N 3.34Å
106Q92.9Very high84.6Confident52 Ų5275 Ų7524%0.24341%0.406CS..Hα-helixtrans-62.4-40.1179.8-71.5-178.3-9.200112.1R102 A109 K110R102-Q106 WeakPolarHBondContact O-CG 3.4Å; R102-Q106 PolarHBondContact O-N 2.85Å; Q106-A109 PolarHBondContact O-N 3.47Å; Q106-K110 VanDerWaalsContact O-CG 3.32Å; Q106-K110 WeakPolarHBondContact O-CG 3.44Å; Q106-K110 PolarHBondContact O-N 2.94Å
107S91.1Very high82.7Confident60 Ų6077.5 Ų77.542%0.4242%0.422SS..Hα-helixtrans-63.8-40.4176.2-59.80000111.9N103 T104 I105 K110 N111N103-S107 WeakPolarHBondContact O-CB 3.49Å; N103-S107 PolarHBondContact O-N 3.11Å; N103-S107 PolarHBondContact O-OG 3.42Å; T104-S107 PolarHBondContact O-N 3.01Å; I105-S107 VanDerWaalsContact C-N 3.32Å; I105-S107 PolarHBondContact O-N 2.75Å; S107-K110 PolarHBondContact O-N 3.2Å; S107-N111 VanDerWaalsContact O-CG 3.25Å; S107-N111 PolarHBondContact O-N 2.96Å; S107-N111 VanDerWaalsContact O-N 3.11Å; S107-N111 PolarHBondContact O-ND2 3.42Å
108R89.9Confident80.6Confident123 Ų12374.8 Ų74.846%0.46443%0.427SS..Hα-helixtrans-65.8-44.7174.8-71.7-179.7-177.3-165.82.4112.2Y78 T104 I105 K110 N111 V112Y78-R108 HydrophobicContact CE1-CB 3.81Å; T104-R108 WeakPolarHBondContact O-CG 2.95Å; T104-R108 PolarHBondContact O-N 3.16Å; I105-R108 PolarHBondContact O-N 3.4Å; R108-K110 VanDerWaalsContact C-N 3.27Å; R108-K110 PolarHBondContact O-N 3.45Å; R108-N111 PolarHBondContact O-N 3.04Å; R108-V112 WeakPolarHBondContact O-CG2 3.34Å; R108-V112 PolarHBondContact O-N 3Å; R108-V112 VanDerWaalsContact O-N 3.09Å
109A88.4Confident78.3Confident10 Ų1081.4 Ų81.48%0.08347%0.467CS..Hα-helixtrans-56-43.4174.900000111.5Y78 I105 Q106 V112 G113 M114 V115Y78-A109 HydrophobicContact CD2-CB 3.77Å; Y78-A109 HydrophobicContact CE2-CB 4.48Å; Y78-A109 HydrophobicContact CG-CB 3.81Å; I105-A109 PolarHBondContact O-N 3.34Å; Q106-A109 PolarHBondContact O-N 3.47Å; A109-V112 PolarHBondContact O-N 3.38Å; A109-G113 PolarHBondContact O-N 3.33Å; A109-M114 PolarHBondContact O-N 2.87Å; A109-V115 HydrophobicContact CB-CG2 3.78Å
110K85.2Confident76.3Confident126 Ų12682.4 Ų82.455%0.54848%0.479SS..Hα-helixtrans-60.5-46.7177.6-73177.3-177.4170.90111.3Q106 S107 R108 V112 G113 V115Q106-K110 VanDerWaalsContact O-CG 3.32Å; Q106-K110 WeakPolarHBondContact O-CG 3.44Å; Q106-K110 PolarHBondContact O-N 2.94Å; S107-K110 PolarHBondContact O-N 3.2Å; R108-K110 VanDerWaalsContact C-N 3.27Å; R108-K110 PolarHBondContact O-N 3.45Å; K110-V112 VanDerWaalsContact C-N 3.31Å; K110-V112 PolarHBondContact O-N 3.46Å; K110-G113 PolarHBondContact O-N 2.93Å; K110-V115 VanDerWaalsContact CA-CG2 3.46Å; K110-V115 HydrophobicContact CB-CB 4.47Å; K110-V115 HydrophobicContact CB-CG2 4.04Å; K110-V115 HydrophobicContact CG-CB 3.81Å; K110-V115 HydrophobicContact CG-CG1 3.91Å; K110-V115 HydrophobicContact CG-CG2 3.41Å; K110-V115 VanDerWaalsContact CG-CG2 3.41Å; K110-V115 VanDerWaalsContact N-CG2 3.31Å
111N79.6Confident74Confident142 Ų14280.5 Ų80.576%0.75949%0.487SS*.Hα-helixtrans-67-30.1-177.1-68.8-19.6000113.4S107 R108 G113S107-N111 VanDerWaalsContact O-CG 3.25Å; S107-N111 PolarHBondContact O-N 2.96Å; S107-N111 VanDerWaalsContact O-N 3.11Å; S107-N111 PolarHBondContact O-ND2 3.42Å; R108-N111 PolarHBondContact O-N 3.04Å; N111-G113 PolarHBondContact O-N 3.35Å
112V76.1Confident71.5Confident89 Ų8980.8 Ų80.854%0.53950%0.498SS..THydrogen-bonded Turntrans-78.9-3.6174.7-178.30000111.7Y78 R108 A109 K110 M114Y78-V112 HydrophobicContact CE2-CB 4.45Å; Y78-V112 HydrophobicContact CE2-CG2 4.26Å; R108-V112 WeakPolarHBondContact O-CG2 3.34Å; R108-V112 PolarHBondContact O-N 3Å; R108-V112 VanDerWaalsContact O-N 3.09Å; A109-V112 PolarHBondContact O-N 3.38Å; K110-V112 VanDerWaalsContact C-N 3.31Å; K110-V112 PolarHBondContact O-N 3.46Å; V112-M114 HydrophobicContact CB-CG 4.49Å; V112-M114 HydrophobicContact CG1-CG 4.08Å; V112-M114 HydrophobicContact CG1-SD 4.09Å; V112-M114 PolarHBondContact O-N 3.11Å
113G62.1Low69.3Low61 Ų6185 Ų8563%0.62952%0.523SS*.THydrogen-bonded Turntrans77.68-175.400000113.6A109 K110 N111 V115A109-G113 PolarHBondContact O-N 3.33Å; K110-G113 PolarHBondContact O-N 2.93Å; N111-G113 PolarHBondContact O-N 3.35Å; G113-V115 PolarHBondContact O-N 2.96Å
114M56.3Low67.2Low104 Ų10484.6 Ų84.651%0.51252%0.523SS..THydrogen-bonded Turntrans-82.112.4179.9-75.6-179.466.900113.9Y78 A109 V112 G116Y78-M114 HydrophobicContact CD2-CE 4.15Å; Y78-M114 HydrophobicContact CD2-SD 3.9Å; Y78-M114 HydrophobicContact CE2-SD 3.98Å; A109-M114 PolarHBondContact O-N 2.87Å; V112-M114 HydrophobicContact CB-CG 4.49Å; V112-M114 HydrophobicContact CG1-CG 4.08Å; V112-M114 HydrophobicContact CG1-SD 4.09Å; V112-M114 PolarHBondContact O-N 3.11Å; M114-G116 PolarHBondContact O-N 3.48Å
115V52.5Low64.8Low81 Ų8189.2 Ų89.249%0.49154%0.544SS..THydrogen-bonded Turntrans-94.822.6176.1179.40000112.6A109 K110 G113A109-V115 HydrophobicContact CB-CG2 3.78Å; K110-V115 VanDerWaalsContact CA-CG2 3.46Å; K110-V115 HydrophobicContact CB-CB 4.47Å; K110-V115 HydrophobicContact CB-CG2 4.04Å; K110-V115 HydrophobicContact CG-CB 3.81Å; K110-V115 HydrophobicContact CG-CG1 3.91Å; K110-V115 HydrophobicContact CG-CG2 3.41Å; K110-V115 VanDerWaalsContact CG-CG2 3.41Å; K110-V115 VanDerWaalsContact N-CG2 3.31Å; G113-V115 PolarHBondContact O-N 2.96Å
116G46.7Very low62.5Low57 Ų5792.3 Ų92.359%0.58858%0.576SS**  trans-83.4124.9159.900000109.8M114M114-G116 PolarHBondContact O-N 3.48Å
117L54.2Low60Low179 Ų17994.5 Ų94.594%0.93760%0.603SS**SBendtrans88.681169.5-54.5164.5000116.3
118G51.6Low57.6Low65 Ų6596.4 Ų96.467%0.6762%0.623SS**  trans79.8103143.700000114.6V120G118-V120 PolarHBondContact O-N 3.35Å
119V48.9Very low55.2Low141 Ų14194.6 Ų94.686%0.85563%0.634SS**  trans-55.684.5151.3178.80000107.4G121V119-G121 PolarHBondContact O-N 3.47Å
120V54.8Low53.3Low115 Ų115102.9 Ų102.970%0.69768%0.676SS**  trans-76.685.9160.8170.50000104.1G118 G122G118-V120 PolarHBondContact O-N 3.35Å; V120-G122 PolarHBondContact O-N 2.99Å
121G47.1Very low51.3Low64 Ų64105 Ų10566%0.6669%0.692SS**  trans-63.871.2152.700000107.4V119V119-G121 PolarHBondContact O-N 3.47Å
122G44Very low49.5Very low36 Ų36101.7 Ų101.737%0.37169%0.692SS.*  trans-96104.518000000107.7V120 V124V120-G122 PolarHBondContact O-N 2.99Å; G122-V124 PolarHBondContact O-N 2.91Å
123I49.1Very low48.1Very low144 Ų144105.3 Ų105.374%0.73871%0.707SS**  trans-45.4115.8161.6-62.3167.9000106.8L125I123-L125 VanDerWaalsContact C-N 3.29Å; I123-L125 HydrophobicContact CG2-CD1 4.35Å; I123-L125 HydrophobicContact CG2-CG 4.29Å; I123-L125 PolarHBondContact O-N 2.97Å
124V52.5Low47Very low64 Ų64105.6 Ų105.639%0.38871%0.71SS.*  trans-70.595.2171.5-1750000106.2R83 G122 G126R83-V124 HydrophobicContact CG-CG2 3.18Å; G122-V124 PolarHBondContact O-N 2.91Å; V124-G126 PolarHBondContact O-N 3.29Å
125L44.6Very low46.4Very low160 Ų160108.8 Ų108.884%0.83873%0.728SS**  trans-7071.8166.9-80.3120.7000108.7I123 A127I123-L125 VanDerWaalsContact C-N 3.29Å; I123-L125 HydrophobicContact CG2-CD1 4.35Å; I123-L125 HydrophobicContact CG2-CG 4.29Å; I123-L125 PolarHBondContact O-N 2.97Å; L125-A127 PolarHBondContact O-N 3.45Å
126G44.9Very low46.3Very low65 Ų65110.1 Ų110.167%0.6774%0.741SS**  trans-72.7109.3161.700000108.3V124V124-G126 PolarHBondContact O-N 3.29Å
127A39.8Very low46.5Very low98 Ų98119.3 Ų119.381%0.8176%0.758SS**SBendtrans-2.9130.5173.100000119.6L125L125-A127 PolarHBondContact O-N 3.45Å
128A40.5Very low46.3Very low101 Ų101119.5 Ų119.584%0.83575%0.747SS**  trans87.486.5158.500000118.8
129A41.4Very low46Very low85 Ų85125.9 Ų125.970%0.70275%0.753SS**  trans47.9104.2135.200000119.8
130L46.7Very low46Very low183 Ų183123.9 Ų123.996%0.95875%0.745SS**  -134.4122.9123.7-75.8-179.4000109.8
131L43.5Very low46.2Very low170 Ų170129.2 Ų129.289%0.8975%0.753SS**  trans-69134.7-173-70.4153.1000112.2
132G42.2Very low46.6Very low74 Ų74138.1 Ų138.176%0.76377%0.766SS**  trans42.693.5139.800000119.4
133I45.9Very low47.1Very low165 Ų165146.3 Ų146.385%0.84679%0.786SS**  trans-125.664.8142.2-51.5178.4000107.4
134G39.6Very low47.1Very low67 Ų67153 Ų15369%0.69181%0.81SS**  trans-76.9141.7153.100000108.4
135L43.3Very low46.8Very low170 Ų170157.4 Ų157.489%0.8983%0.831SS**  trans80.379.1163.1-138.478.6000117.3
136S50.9Low47Very low109 Ų109157.3 Ų157.376%0.76283%0.83SS**SBendtrans-136.4-22.5157.5174.10000114.8
137R50.5Low47.1Very low250 Ų250162.4 Ų162.494%0.94384%0.839SS**SBendtrans-95.6-2.7-171.2-152145.5177.177.4-0.2117.1
138Y50Low47.5Very low183 Ų183166.2 Ų166.272%0.71884%0.841SS**SBendtrans-97.9-5.9-173.1-169.2-111.1000117
139Y45.3Very low47.9Very low199 Ų199170.3 Ų170.378%0.7884%0.841SS**  trans-143.8111176.5-89.6-85.9000112.1
140S49.9Very low48.4Very low99 Ų99175.9 Ų175.969%0.69285%0.85SS**  152.2111.6124.4-163.90000112.1
141R59.7Low48.5Very low228 Ų228175.4 Ų175.486%0.8684%0.843SS**  trans16069141.8-89.2168.9-175.7163.71.6107
142R54.4Low48.9Very low250 Ų250175.8 Ų175.894%0.94384%0.839SS**  -47.597.286.4-69.7-171.9-177.9173.31.2115.8
143R55.1Low49.4Very low209 Ų209184.3 Ų184.379%0.78985%0.845SS**  trans-138.8103.8140.4-79.2-169.8-177.9174.10.4103.8
144K48.8Very low49.8Very low283 Ų283186.1 Ų186.1100%1.2385%0.845SS**  69.30107.7-93.6-166.1177-172.80110.6

Retrieved 144 of 144 residues in 131.9 ms (Link to these results)

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