G4VK52_SCHMA Loading...

Armadillo repeat-containing protein 1

AlphaFold DB , UniProt , Accession G4VK52, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 293 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
1M43Very low81.9Confident220 Ų22079.9 Ų79.9100%1.08444%0.443SS*.  0-4.20-65.2-133.3-140.800113.8G3M1-G3 VanDerWaalsContact C-N 3.29Å; M1-G3 PolarHBondContact O-N 3.47Å; M1-G3 VanDerWaalsContact O-N 3.1Å
2C55.1Low83Confident102 Ų10283.3 Ų83.369%0.68945%0.45SS*.Hα-helixtrans-64.5-14.7-173.3-66.60000117.7A6C2-A6 WeakPolarHBondContact O-CB 3.26Å; C2-A6 PolarHBondContact O-N 2.75Å
3G74.1Confident83.9Confident47 Ų4781.4 Ų81.449%0.48544%0.439SS..Hα-helixtrans-71-37.2-172.500000114.7M1 L7M1-G3 VanDerWaalsContact C-N 3.29Å; M1-G3 PolarHBondContact O-N 3.47Å; M1-G3 VanDerWaalsContact O-N 3.1Å; G3-L7 WeakPolarHBondContact O-CB 3.33Å; G3-L7 PolarHBondContact O-N 3.31Å
4I84.5Confident84.6Confident87 Ų8775.6 Ų75.645%0.44641%0.408SS..Hα-helixtrans-77.6-41.3-176.1-62173.7000110.8L7 E8 I44I4-L7 PolarHBondContact O-N 3.18Å; I4-E8 PolarHBondContact O-N 2.89Å; I4-I44 HydrophobicContact CG1-CD1 4.44Å; I4-I44 HydrophobicContact CG1-CG1 4.04Å
5E87.6Confident85.3Confident127 Ų12777.3 Ų77.359%0.59341%0.412SS*.Hα-helixtrans-62.2-45.9177.6-67.4170.917800111.4L7 E8 E9E5-L7 VanDerWaalsContact C-N 3.3Å; E5-L7 PolarHBondContact O-N 3.19Å; E5-E8 WeakPolarHBondContact O-CB 3.44Å; E5-E8 PolarHBondContact O-N 2.83Å; E5-E9 PolarHBondContact O-N 2.91Å
6A88.8Confident85.9Confident47 Ų4775.6 Ų75.639%0.38840%0.403SS..Hα-helixtrans-62.3-37.617600000112.3C2 E9 V10C2-A6 WeakPolarHBondContact O-CB 3.26Å; C2-A6 PolarHBondContact O-N 2.75Å; A6-E9 WeakPolarHBondContact O-CB 3.4Å; A6-E9 PolarHBondContact O-N 3.21Å; A6-V10 WeakPolarHBondContact O-CG2 3.43Å; A6-V10 PolarHBondContact O-N 3.02Å
7L91.9Very high86.2Confident5 Ų577.9 Ų77.93%0.02642%0.415CS..Hα-helixtrans-66.6-39.1176.5-17859.5000111.8G3 I4 E5 E9 V10 K11 L33 I44 S47 V48G3-L7 WeakPolarHBondContact O-CB 3.33Å; G3-L7 PolarHBondContact O-N 3.31Å; I4-L7 PolarHBondContact O-N 3.18Å; E5-L7 VanDerWaalsContact C-N 3.3Å; E5-L7 PolarHBondContact O-N 3.19Å; L7-E9 VanDerWaalsContact C-N 3.32Å; L7-E9 PolarHBondContact O-N 3.28Å; L7-V10 PolarHBondContact O-N 2.81Å; L7-K11 PolarHBondContact O-N 3.43Å; L7-L33 HydrophobicContact CD1-CD2 3.65Å; L7-I44 HydrophobicContact CD2-CG2 4.17Å; L7-S47 VanDerWaalsContact CD2-CB 3.48Å; L7-S47 VanDerWaalsContact CD2-OG 3.23Å; L7-S47 WeakPolarHBondContact CD2-OG 3.38Å; L7-S47 WeakPolarHBondContact CG-OG 3.36Å; L7-V48 HydrophobicContact CD1-CG2 3.77Å; L7-V48 HydrophobicContact CD2-CG2 3.7Å; L7-V48 HydrophobicContact CG-CG2 4.42Å
8E92.7Very high86.4Confident74 Ų7479.3 Ų79.335%0.34643%0.433SS..Hα-helixtrans-65.6-35174.5-173.259.8-157.500111.9I4 E5 K11 K12I4-E8 PolarHBondContact O-N 2.89Å; E5-E8 WeakPolarHBondContact O-CB 3.44Å; E5-E8 PolarHBondContact O-N 2.83Å; E8-K11 WeakPolarHBondContact O-CB 3.47Å; E8-K11 PolarHBondContact O-N 2.73Å; E8-K12 WeakPolarHBondContact O-CG 3.19Å; E8-K12 PolarHBondContact O-N 3.17Å
9E93.3Very high86.7Confident124 Ų12480.7 Ų80.758%0.57943%0.434SS*.Hα-helixtrans-63.5-46.1170.5-70.8179.8178.300111.5E5 A6 L7 K11 K12 L13E5-E9 PolarHBondContact O-N 2.91Å; A6-E9 WeakPolarHBondContact O-CB 3.4Å; A6-E9 PolarHBondContact O-N 3.21Å; L7-E9 VanDerWaalsContact C-N 3.32Å; L7-E9 PolarHBondContact O-N 3.28Å; E9-K11 VanDerWaalsContact C-N 3.26Å; E9-K11 PolarHBondContact O-N 3.03Å; E9-K12 WeakPolarHBondContact O-CB 3.31Å; E9-K12 PolarHBondContact O-N 2.71Å; E9-K12 VanDerWaalsContact O-N 3.14Å; E9-L13 WeakPolarHBondContact O-CB 3.41Å; E9-L13 VanDerWaalsContact O-CD1 3.31Å; E9-L13 WeakPolarHBondContact O-CD1 3.44Å; E9-L13 WeakPolarHBondContact O-CG 3.35Å; E9-L13 PolarHBondContact O-N 3.3Å
10V94.6Very high87.1Confident22 Ų2277.2 Ų77.213%0.13341%0.414CS..Hα-helixtrans-61.7-36.3176.8177.70000111.3A6 L7 L13 A14 L23 T29 L33 T51A6-V10 WeakPolarHBondContact O-CG2 3.43Å; A6-V10 PolarHBondContact O-N 3.02Å; L7-V10 PolarHBondContact O-N 2.81Å; V10-L13 WeakPolarHBondContact O-CB 3.24Å; V10-L13 PolarHBondContact O-N 3.43Å; V10-A14 PolarHBondContact O-N 2.79Å; V10-L23 HydrophobicContact CG1-CD1 4.08Å; V10-L23 HydrophobicContact CG1-CD2 4.48Å; V10-T29 HydrophobicContact CG1-CG2 4.28Å; V10-T29 HydrophobicContact CG2-CG2 4.27Å; V10-L33 HydrophobicContact CG1-CD1 4.13Å; V10-L33 HydrophobicContact CG1-CD2 4.15Å; V10-T51 HydrophobicContact CG1-CG2 4.15Å
11K95.1Very high87.3Confident24 Ų2477.5 Ų77.510%0.10442%0.419CS..Hα-helixtrans-61.7-48.1172.4-172.6-178.8175.8179.40111.6L7 E8 E9 L13 A14 E15 E50 I54L7-K11 PolarHBondContact O-N 3.43Å; E8-K11 WeakPolarHBondContact O-CB 3.47Å; E8-K11 PolarHBondContact O-N 2.73Å; E9-K11 VanDerWaalsContact C-N 3.26Å; E9-K11 PolarHBondContact O-N 3.03Å; K11-L13 VanDerWaalsContact C-N 3.3Å; K11-L13 PolarHBondContact O-N 2.81Å; K11-A14 WeakPolarHBondContact O-CB 3.49Å; K11-A14 PolarHBondContact O-N 2.92Å; K11-E15 WeakPolarHBondContact O-CG 3.47Å; K11-E15 PolarHBondContact O-N 2.83Å; K11-E50 WeakPolarHBondContact CE-OE1 3.5Å; K11-E50 IonicContact NZ-OE1 2.72Å; K11-E50 PolarHBondContact NZ-OE1 2.84Å; K11-E50 IonicContact NZ-OE2 2.78Å; K11-E50 PolarHBondContact NZ-OE2 2.72Å; K11-I54 HydrophobicContact CD-CD1 4.47Å; K11-I54 HydrophobicContact CG-CD1 3.92Å
12K95.5Very high89.7Confident120 Ų12070.1 Ų70.152%0.52239%0.393SS..Hα-helixtrans-61.2-37.3174.8-69.9169.2-177171.90112.6E8 E9 A14 E15 D16E8-K12 WeakPolarHBondContact O-CG 3.19Å; E8-K12 PolarHBondContact O-N 3.17Å; E9-K12 WeakPolarHBondContact O-CB 3.31Å; E9-K12 PolarHBondContact O-N 2.71Å; E9-K12 VanDerWaalsContact O-N 3.14Å; K12-A14 VanDerWaalsContact C-N 3.32Å; K12-E15 PolarHBondContact O-N 3.38Å; K12-D16 WeakPolarHBondContact O-CB 3.29Å; K12-D16 PolarHBondContact O-N 3.09Å
13L94.3Very high91.5Very high59 Ų5965.7 Ų65.731%0.30936%0.362SS..Hα-helixtrans-62.7-37.9173.1-81.6144.9000111.8E9 V10 K11 K19 Y20 L23E9-L13 WeakPolarHBondContact O-CB 3.41Å; E9-L13 VanDerWaalsContact O-CD1 3.31Å; E9-L13 WeakPolarHBondContact O-CD1 3.44Å; E9-L13 WeakPolarHBondContact O-CG 3.35Å; E9-L13 PolarHBondContact O-N 3.3Å; V10-L13 WeakPolarHBondContact O-CB 3.24Å; V10-L13 PolarHBondContact O-N 3.43Å; K11-L13 VanDerWaalsContact C-N 3.3Å; K11-L13 PolarHBondContact O-N 2.81Å; L13-K19 HydrophobicContact CD2-CB 3.86Å; L13-K19 HydrophobicContact CD2-CD 3.86Å; L13-K19 HydrophobicContact CD2-CG 4.43Å; L13-Y20 PolarHBondContact O-N 3.33Å; L13-L23 HydrophobicContact CB-CD2 4.31Å
14A94.4Very high92.5Very high0 Ų064.5 Ų64.50%034%0.344CS..Hα-helixtrans-71.3-31.8177.100000112.5V10 K11 K12 L23 T51 I54 I55 R58V10-A14 PolarHBondContact O-N 2.79Å; K11-A14 WeakPolarHBondContact O-CB 3.49Å; K11-A14 PolarHBondContact O-N 2.92Å; K12-A14 VanDerWaalsContact C-N 3.32Å; A14-L23 HydrophobicContact CB-CD2 3.68Å; A14-T51 HydrophobicContact CB-CG2 4.41Å; A14-I54 HydrophobicContact CB-CG2 4Å; A14-I55 HydrophobicContact CB-CG1 3.91Å; A14-R58 VanDerWaalsContact O-CD 3.23Å; A14-R58 WeakPolarHBondContact O-CD 3.31Å; A14-R58 PolarHBondContact O-NH1 3.14Å
15E94.4Very high92.8Very high101 Ų10166.2 Ų66.247%0.47236%0.355SS..Hα-helixtrans-76.4-33.9176.5-69.8174-175.300112.7K11 K12 D17 I54 R58K11-E15 WeakPolarHBondContact O-CG 3.47Å; K11-E15 PolarHBondContact O-N 2.83Å; K12-E15 PolarHBondContact O-N 3.38Å; E15-D17 PolarHBondContact O-N 2.81Å; E15-I54 HydrophobicContact CG-CD1 4.21Å; E15-I54 HydrophobicContact CG-CG2 4.26Å; E15-R58 VanDerWaalsContact C-NH1 3.3Å; E15-R58 PolarHBondContact O-NH1 2.73Å
16D94.9Very high93.1Very high51 Ų5163.2 Ų63.227%0.27334%0.343SS..  trans-74.7113.1-179.7-175.4-25.6000112.6K12 S18 K19 Y20K12-D16 WeakPolarHBondContact O-CB 3.29Å; K12-D16 PolarHBondContact O-N 3.09Å; D16-S18 VanDerWaalsContact C-N 3.25Å; D16-S18 PolarHBondContact O-N 2.8Å; D16-S18 WeakPolarHBondContact OD1-CB 3.17Å; D16-S18 PolarHBondContact OD1-N 3.29Å; D16-K19 HydrophobicContact CB-CB 4.2Å; D16-K19 HydrophobicContact CB-CD 4.33Å; D16-K19 HydrophobicContact CB-CG 4.35Å; D16-K19 PolarHBondContact O-N 2.9Å; D16-K19 PolarHBondContact OD1-N 2.82Å; D16-K19 VanDerWaalsContact OD2-CD 3.28Å; D16-K19 WeakPolarHBondContact OD2-CD 3.3Å; D16-K19 WeakPolarHBondContact OD2-CE 3.23Å; D16-K19 WeakPolarHBondContact OD2-CG 3.26Å; D16-K19 IonicContact OD2-NZ 2.76Å; D16-K19 PolarHBondContact OD2-NZ 3.45Å; D16-Y20 VanDerWaalsContact O-CB 3.27Å; D16-Y20 WeakPolarHBondContact O-CB 3.19Å; D16-Y20 PolarHBondContact O-N 3.44Å
17D90.9Very high93.3Very high114 Ų11466.7 Ų66.761%0.6135%0.349SS*.Hα-helixtrans-51.5-40.1179.7-67.524.7000113.9E15 R58E15-D17 PolarHBondContact O-N 2.81Å; D17-R58 IonicContact OD1-CZ 2.71Å; D17-R58 IonicContact OD1-NH1 3.72Å; D17-R58 IonicContact OD1-NH2 2.73Å; D17-R58 PolarHBondContact OD1-NH2 3.36Å; D17-R58 IonicContact OD2-NH2 3.62Å
18S89.9Confident93.4Very high104 Ų10471.9 Ų71.973%0.72738%0.381SS*.Hα-helixtrans-74.3-37-175.5-61.60000111D16D16-S18 VanDerWaalsContact C-N 3.25Å; D16-S18 PolarHBondContact O-N 2.8Å; D16-S18 WeakPolarHBondContact OD1-CB 3.17Å; D16-S18 PolarHBondContact OD1-N 3.29Å
19K92.7Very high93.5Very high105 Ų10570.5 Ų70.546%0.45738%0.378SS..Hα-helixtrans-90.4-20.6-177.9-56.9177.9-171.9130.20113.4L13 D16 V21 A22 L23L13-K19 HydrophobicContact CD2-CB 3.86Å; L13-K19 HydrophobicContact CD2-CD 3.86Å; L13-K19 HydrophobicContact CD2-CG 4.43Å; D16-K19 HydrophobicContact CB-CB 4.2Å; D16-K19 HydrophobicContact CB-CD 4.33Å; D16-K19 HydrophobicContact CB-CG 4.35Å; D16-K19 PolarHBondContact O-N 2.9Å; D16-K19 PolarHBondContact OD1-N 2.82Å; D16-K19 VanDerWaalsContact OD2-CD 3.28Å; D16-K19 WeakPolarHBondContact OD2-CD 3.3Å; D16-K19 WeakPolarHBondContact OD2-CE 3.23Å; D16-K19 WeakPolarHBondContact OD2-CG 3.26Å; D16-K19 IonicContact OD2-NZ 2.76Å; D16-K19 PolarHBondContact OD2-NZ 3.45Å; K19-V21 PolarHBondContact O-N 3.4Å; K19-A22 WeakPolarHBondContact O-CA 3.43Å; K19-A22 WeakPolarHBondContact O-CB 3.35Å; K19-A22 PolarHBondContact O-N 3.11Å; K19-L23 PolarHBondContact O-N 2.89Å
20Y94.5Very high93.6Very high10 Ų1064.6 Ų64.64%0.03935%0.35CS..Hα-helixtrans-55-39.6176.3175.9-102.2000111.9L13 D16 A22 L23 I24 I55 R58 P59 G61L13-Y20 PolarHBondContact O-N 3.33Å; D16-Y20 VanDerWaalsContact O-CB 3.27Å; D16-Y20 WeakPolarHBondContact O-CB 3.19Å; D16-Y20 PolarHBondContact O-N 3.44Å; Y20-A22 VanDerWaalsContact C-N 3.28Å; Y20-A22 PolarHBondContact O-N 3.23Å; Y20-L23 PolarHBondContact O-N 3.3Å; Y20-I24 HydrophobicContact CE1-CD1 4.09Å; Y20-I24 PolarHBondContact O-N 3.34Å; Y20-I24 WeakPolarHBondContact OH-CD1 3.35Å; Y20-I55 HydrophobicContact CE2-CG2 4.36Å; Y20-I55 PolarHBondContact OH-O 2.93Å; Y20-R58 HydrophobicContact CD2-CB 4.36Å; Y20-R58 HydrophobicContact CE1-CB 3.83Å; Y20-R58 HydrophobicContact CE2-CB 3.6Å; Y20-R58 HydrophobicContact CE2-CG 4.19Å; Y20-R58 WeakPolarHBondContact OH-CB 3.33Å; Y20-R58 PolarHBondContact OH-O 3.24Å; Y20-P59 PolarHBondContact OH-O 2.89Å; Y20-G61 WeakPolarHBondContact OH-CA 3.5Å; Y20-G61 PolarHBondContact OH-N 2.8Å
21V91.2Very high93.7Very high85 Ų8567.1 Ų67.152%0.51536%0.36SS..Hα-helixtrans-62.9-35.5176.3-177.40000111.5K19 I24 N25K19-V21 PolarHBondContact O-N 3.4Å; V21-I24 WeakPolarHBondContact O-CG2 3.4Å; V21-N25 PolarHBondContact O-N 2.68Å; V21-N25 PolarHBondContact O-ND2 2.9Å
22A92.5Very high93.7Very high64 Ų6467.4 Ų67.453%0.52937%0.37SS..Hα-helixtrans-71-43.9173.900000111.1K19 Y20 I24 N25 D26K19-A22 WeakPolarHBondContact O-CA 3.43Å; K19-A22 WeakPolarHBondContact O-CB 3.35Å; K19-A22 PolarHBondContact O-N 3.11Å; Y20-A22 VanDerWaalsContact C-N 3.28Å; Y20-A22 PolarHBondContact O-N 3.23Å; A22-I24 PolarHBondContact O-N 3.43Å; A22-N25 PolarHBondContact O-N 3.3Å; A22-D26 PolarHBondContact O-N 3.3Å
23L94.4Very high93.7Very high9 Ų961.9 Ų61.95%0.04735%0.346CS..Hα-helixtrans-60.2-45179.2179.464.8000112.5V10 L13 A14 K19 Y20 N25 D26 T29 L30 I55V10-L23 HydrophobicContact CG1-CD1 4.08Å; V10-L23 HydrophobicContact CG1-CD2 4.48Å; L13-L23 HydrophobicContact CB-CD2 4.31Å; A14-L23 HydrophobicContact CB-CD2 3.68Å; K19-L23 PolarHBondContact O-N 2.89Å; Y20-L23 PolarHBondContact O-N 3.3Å; L23-N25 VanDerWaalsContact C-N 3.29Å; L23-N25 PolarHBondContact O-N 2.76Å; L23-D26 PolarHBondContact O-N 2.94Å; L23-T29 HydrophobicContact CD1-CG2 3.6Å; L23-L30 HydrophobicContact CG-CD2 4.43Å; L23-I55 HydrophobicContact CD2-CD1 4.26Å; L23-I55 HydrophobicContact CD2-CG1 4.46Å
24I93.7Very high93.8Very high23 Ų2359.5 Ų59.512%0.11833%0.334CS..Hα-helixtrans-69.1-29.2-178-160170.5000112.7Y20 V21 A22 G60 T64Y20-I24 HydrophobicContact CE1-CD1 4.09Å; Y20-I24 PolarHBondContact O-N 3.34Å; Y20-I24 WeakPolarHBondContact OH-CD1 3.35Å; V21-I24 WeakPolarHBondContact O-CG2 3.4Å; A22-I24 PolarHBondContact O-N 3.43Å; I24-G60 VanDerWaalsContact CD1-C 3.48Å; I24-T64 WeakPolarHBondContact CD1-OG1 3.35Å; I24-T64 HydrophobicContact CG1-CG2 3.87Å; I24-T64 WeakPolarHBondContact CG1-OG1 3.43Å
25N92.2Very high93.7Very high123 Ų12365.8 Ų65.866%0.65837%0.366SS*.Hα-helixtrans-78.3-25.1175.1-74.9-46.7000112.1V21 A22 L23 K27V21-N25 PolarHBondContact O-N 2.68Å; V21-N25 PolarHBondContact O-ND2 2.9Å; A22-N25 PolarHBondContact O-N 3.3Å; L23-N25 VanDerWaalsContact C-N 3.29Å; L23-N25 PolarHBondContact O-N 2.76Å; N25-K27 PolarHBondContact O-N 3.03Å
26D94.2Very high93.7Very high64 Ų6463.7 Ų63.734%0.34236%0.358SS..  trans-8183.5174.1-173.4-0.9000111.8A22 L23 T28 T29 L30A22-D26 PolarHBondContact O-N 3.3Å; L23-D26 PolarHBondContact O-N 2.94Å; D26-T28 PolarHBondContact O-N 3.05Å; D26-T28 WeakPolarHBondContact OD1-CA 3.4Å; D26-T28 VanDerWaalsContact OD1-CB 3.31Å; D26-T28 WeakPolarHBondContact OD1-CB 3.29Å; D26-T28 PolarHBondContact OD1-N 3.18Å; D26-T29 PolarHBondContact O-N 3.06Å; D26-T29 PolarHBondContact OD1-N 3.06Å; D26-T29 VanDerWaalsContact OD1-N 3.15Å; D26-T29 WeakPolarHBondContact OD2-CB 3.39Å; D26-T29 PolarHBondContact OD2-OG1 3.31Å; D26-L30 PolarHBondContact O-N 2.88Å
27K92.5Very high93.7Very high120 Ų12061.3 Ų61.352%0.52235%0.346SS..Hα-helixtrans-59.3-27.8175-66.2-171.4177.7-172.90113.1N25 L30 H31N25-K27 PolarHBondContact O-N 3.03Å; K27-L30 PolarHBondContact O-N 3.03Å; K27-H31 PolarHBondContact O-N 2.99Å; K27-H31 PolarHBondContact O-ND1 2.74Å
28T94Very high93.7Very high114 Ų11459.1 Ų59.170%0.69934%0.339SS*.Hα-helixtrans-68.5-45.8-178.4-53.60000110D26 L30 H31 G32D26-T28 PolarHBondContact O-N 3.05Å; D26-T28 WeakPolarHBondContact OD1-CA 3.4Å; D26-T28 VanDerWaalsContact OD1-CB 3.31Å; D26-T28 WeakPolarHBondContact OD1-CB 3.29Å; D26-T28 PolarHBondContact OD1-N 3.18Å; T28-L30 VanDerWaalsContact C-N 3.33Å; T28-L30 PolarHBondContact O-N 3.09Å; T28-H31 PolarHBondContact O-N 3.11Å; T28-G32 PolarHBondContact O-N 3.39Å
29T94.3Very high93.7Very high45 Ų4557 Ų5728%0.27632%0.32SS..Hα-helixtrans-60.3-43.5174.7-67.20000111.3V10 L23 D26 G32 L33V10-T29 HydrophobicContact CG1-CG2 4.28Å; V10-T29 HydrophobicContact CG2-CG2 4.27Å; L23-T29 HydrophobicContact CD1-CG2 3.6Å; D26-T29 PolarHBondContact O-N 3.06Å; D26-T29 PolarHBondContact OD1-N 3.06Å; D26-T29 VanDerWaalsContact OD1-N 3.15Å; D26-T29 WeakPolarHBondContact OD2-CB 3.39Å; D26-T29 PolarHBondContact OD2-OG1 3.31Å; T29-G32 WeakPolarHBondContact O-CA 3.03Å; T29-G32 PolarHBondContact O-N 3.5Å; T29-G32 VanDerWaalsContact O-N 3.13Å; T29-L33 PolarHBondContact O-N 3.48Å
30L96Very high93.5Very high0 Ų061.8 Ų61.80%034%0.341CS..Hα-helixtrans-64.5-41.9177.4-62.9-177.6000113.3L23 D26 K27 T28 G32 L33 V34 I55 T64 L68L23-L30 HydrophobicContact CG-CD2 4.43Å; D26-L30 PolarHBondContact O-N 2.88Å; K27-L30 PolarHBondContact O-N 3.03Å; T28-L30 VanDerWaalsContact C-N 3.33Å; T28-L30 PolarHBondContact O-N 3.09Å; L30-G32 VanDerWaalsContact C-N 3.26Å; L30-G32 PolarHBondContact O-N 3.36Å; L30-L33 HydrophobicContact CD2-CD1 4.33Å; L30-L33 WeakPolarHBondContact O-CB 3.38Å; L30-L33 PolarHBondContact O-N 3.44Å; L30-V34 PolarHBondContact O-N 2.88Å; L30-I55 HydrophobicContact CD2-CD1 3.87Å; L30-T64 HydrophobicContact CD1-CG2 3.49Å; L30-T64 VanDerWaalsContact CD1-CG2 3.49Å; L30-L68 HydrophobicContact CB-CD1 3.87Å; L30-L68 HydrophobicContact CB-CD2 3.86Å
31H96.1Very high93.3Very high75 Ų7564.3 Ų64.335%0.34736%0.355SS..Hα-helixtrans-65.9-31.4172.6-75.386.8000111.7K27 T28 L33 V34 L35 L68K27-H31 PolarHBondContact O-N 2.99Å; K27-H31 PolarHBondContact O-ND1 2.74Å; T28-H31 PolarHBondContact O-N 3.11Å; H31-L33 VanDerWaalsContact C-N 3.33Å; H31-V34 WeakPolarHBondContact O-CB 3.5Å; H31-V34 PolarHBondContact O-N 2.87Å; H31-L35 PolarHBondContact O-N 2.71Å; H31-L68 VanDerWaalsContact CE1-CD2 3.41Å; H31-L68 WeakPolarHBondContact CE1-CD2 3.41Å
32G94.7Very high93.2Very high29 Ų2963.7 Ų63.730%0.29935%0.348SS..Hα-helixtrans-59.2-42.1170.900000112.4T28 T29 L30 L35 L36T28-G32 PolarHBondContact O-N 3.39Å; T29-G32 WeakPolarHBondContact O-CA 3.03Å; T29-G32 PolarHBondContact O-N 3.5Å; T29-G32 VanDerWaalsContact O-N 3.13Å; L30-G32 VanDerWaalsContact C-N 3.26Å; L30-G32 PolarHBondContact O-N 3.36Å; G32-L35 WeakPolarHBondContact O-CB 3.49Å; G32-L35 PolarHBondContact O-N 3.26Å; G32-L36 WeakPolarHBondContact O-CG 3.47Å; G32-L36 PolarHBondContact O-N 2.97Å
33L95.4Very high93.1Very high4 Ų465 Ų652%0.02135%0.35CS..Hα-helixtrans-61.6-43.2172.8-65.2178.1000111.7L7 V10 T29 L30 H31 L35 L36 L37 V48 T51 L52 I55L7-L33 HydrophobicContact CD1-CD2 3.65Å; V10-L33 HydrophobicContact CG1-CD1 4.13Å; V10-L33 HydrophobicContact CG1-CD2 4.15Å; T29-L33 PolarHBondContact O-N 3.48Å; L30-L33 HydrophobicContact CD2-CD1 4.33Å; L30-L33 WeakPolarHBondContact O-CB 3.38Å; L30-L33 PolarHBondContact O-N 3.44Å; H31-L33 VanDerWaalsContact C-N 3.33Å; L33-L35 VanDerWaalsContact C-N 3.3Å; L33-L35 PolarHBondContact O-N 3.22Å; L33-L36 PolarHBondContact O-N 3.43Å; L33-L36 VanDerWaalsContact O-N 3.13Å; L33-L37 PolarHBondContact O-N 3.12Å; L33-V48 HydrophobicContact CB-CG1 4.17Å; L33-V48 HydrophobicContact CD2-CG1 4.5Å; L33-V48 VanDerWaalsContact O-CG1 3.31Å; L33-V48 WeakPolarHBondContact O-CG1 3.33Å; L33-T51 HydrophobicContact CD1-CG2 4.08Å; L33-L52 HydrophobicContact CB-CD2 4.18Å; L33-L52 HydrophobicContact CD1-CD2 4.06Å; L33-I55 HydrophobicContact CD1-CD1 3.93Å
34V95.9Very high93Very high9 Ų965.5 Ų65.56%0.05535%0.353CS..Hα-helixtrans-59.3-43.2175.91790000111.1L30 H31 L36 L37 L68 L71 Q74L30-V34 PolarHBondContact O-N 2.88Å; H31-V34 WeakPolarHBondContact O-CB 3.5Å; H31-V34 PolarHBondContact O-N 2.87Å; V34-L36 VanDerWaalsContact C-N 3.29Å; V34-L36 PolarHBondContact O-N 3.46Å; V34-L37 WeakPolarHBondContact O-CB 3.39Å; V34-L37 PolarHBondContact O-N 3.38Å; V34-L68 HydrophobicContact CG2-CB 4.14Å; V34-L68 HydrophobicContact CG2-CD1 3.8Å; V34-L71 HydrophobicContact CG1-CB 4.34Å; V34-L71 HydrophobicContact CG2-CB 4.01Å; V34-L71 HydrophobicContact CG2-CD1 4.05Å; V34-Q74 HydrophobicContact CG1-CG 4.21Å
35L94.1Very high93Very high132 Ų13264.5 Ų64.569%0.69135%0.348SS*.Hα-helixtrans-63.6-34.7177.1-176.565.1000112.4H31 G32 L33 L37 S38H31-L35 PolarHBondContact O-N 2.71Å; G32-L35 WeakPolarHBondContact O-CB 3.49Å; G32-L35 PolarHBondContact O-N 3.26Å; L33-L35 VanDerWaalsContact C-N 3.3Å; L33-L35 PolarHBondContact O-N 3.22Å; L35-L37 PolarHBondContact O-N 3.21Å; L35-S38 PolarHBondContact O-N 3.07Å
36L93.7Very high93.1Very high58 Ų5860.9 Ų60.930%0.30433%0.332SS..Hα-helixtrans-71.1-15.1177.6-71173000113.4G32 L33 V34 S38 N39 I44 V48G32-L36 WeakPolarHBondContact O-CG 3.47Å; G32-L36 PolarHBondContact O-N 2.97Å; L33-L36 PolarHBondContact O-N 3.43Å; L33-L36 VanDerWaalsContact O-N 3.13Å; V34-L36 VanDerWaalsContact C-N 3.29Å; V34-L36 PolarHBondContact O-N 3.46Å; L36-S38 PolarHBondContact O-N 3.15Å; L36-N39 WeakPolarHBondContact O-CB 3.37Å; L36-N39 PolarHBondContact O-N 3.26Å; L36-I44 HydrophobicContact CB-CG2 4.41Å; L36-I44 HydrophobicContact CD2-CG2 4.33Å; L36-V48 HydrophobicContact CB-CG2 3.65Å; L36-V48 HydrophobicContact CD1-CG2 4.18Å
37L94.3Very high93Very high1 Ų158.7 Ų58.71%0.00532%0.322CS..THydrogen-bonded Turntrans-65.1-28.1171.8-67173.9000112.2L33 V34 L35 N39 V45 V48 L49 L52 L71 Q74 L75 L78L33-L37 PolarHBondContact O-N 3.12Å; V34-L37 WeakPolarHBondContact O-CB 3.39Å; V34-L37 PolarHBondContact O-N 3.38Å; L35-L37 PolarHBondContact O-N 3.21Å; L37-N39 PolarHBondContact O-N 3.15Å; L37-V45 HydrophobicContact CD2-CG1 4.3Å; L37-V48 HydrophobicContact CD2-CB 4.13Å; L37-V48 HydrophobicContact CD2-CG1 3.54Å; L37-V48 HydrophobicContact CG-CG1 3.92Å; L37-L49 HydrophobicContact CD2-CD2 3.74Å; L37-L49 HydrophobicContact CD2-CG 3.89Å; L37-L52 HydrophobicContact CD1-CD1 3.99Å; L37-L52 HydrophobicContact CD2-CD1 4.27Å; L37-L52 HydrophobicContact CG-CD1 4.41Å; L37-L71 HydrophobicContact CD1-CD1 3.77Å; L37-Q74 HydrophobicContact CB-CB 4.19Å; L37-Q74 HydrophobicContact CD1-CB 4.07Å; L37-L75 HydrophobicContact CD1-CD2 4.1Å; L37-L78 HydrophobicContact CB-CD1 4.28Å; L37-L78 HydrophobicContact CD2-CD1 4.11Å
38S91.2Very high93.2Very high67 Ų6753 Ų5347%0.46930%0.297SS..THydrogen-bonded Turntrans-79.37.9175.1-360000113.5L35 L36 Q74L35-S38 PolarHBondContact O-N 3.07Å; L36-S38 PolarHBondContact O-N 3.15Å; S38-Q74 PolarHBondContact OG-OE1 3.36Å
39N91.1Very high93.3Very high60 Ų6047.6 Ų47.632%0.32126%0.263SS..  trans-74.2141.1-176.6-162.6-61000111.4L36 L37 N41 I44 V45L36-N39 WeakPolarHBondContact O-CB 3.37Å; L36-N39 PolarHBondContact O-N 3.26Å; L37-N39 PolarHBondContact O-N 3.15Å; N39-N41 PolarHBondContact O-N 2.64Å; N39-N41 WeakPolarHBondContact OD1-CB 3.47Å; N39-N41 PolarHBondContact OD1-N 3.07Å; N39-I44 HydrophobicContact CB-CG2 4.3Å; N39-V45 HydrophobicContact CB-CG2 4.19Å; N39-V45 VanDerWaalsContact O-CG2 3.27Å; N39-V45 WeakPolarHBondContact O-CG2 3.44Å
40K87.8Confident93.3Very high206 Ų20649.7 Ų49.790%0.89627%0.27SS*.SBendtrans-67-22176.9-61.9-179.8-178.8178.30113.3N42K40-N42 PolarHBondContact O-N 3.08Å
41N89.1Confident93.3Very high63 Ų6349.7 Ų49.734%0.33727%0.27SS..  trans-85.9107.3-178.4-173.3-13.6000110.9N39 T43 I44 V45N39-N41 PolarHBondContact O-N 2.64Å; N39-N41 WeakPolarHBondContact OD1-CB 3.47Å; N39-N41 PolarHBondContact OD1-N 3.07Å; N41-T43 PolarHBondContact O-N 3.12Å; N41-T43 VanDerWaalsContact O-N 3.13Å; N41-T43 WeakPolarHBondContact OD1-CB 3.33Å; N41-T43 PolarHBondContact OD1-N 3.28Å; N41-T43 PolarHBondContact OD1-OG1 3.34Å; N41-I44 HydrophobicContact CB-CB 4.32Å; N41-I44 HydrophobicContact CB-CD1 3.95Å; N41-I44 HydrophobicContact CB-CG1 4.05Å; N41-I44 WeakPolarHBondContact O-CB 3.41Å; N41-I44 PolarHBondContact O-N 2.82Å; N41-V45 PolarHBondContact O-N 2.97Å; N41-V45 VanDerWaalsContact O-N 3.14Å
42N89.8Confident93.4Very high71 Ų7146.1 Ų46.138%0.3825%0.254SS..Hα-helixtrans-53.4-32.2177.6-70.2-19.7000113.8K40 S46 I93K40-N42 PolarHBondContact O-N 3.08Å; N42-S46 VanDerWaalsContact O-CB 3.29Å; N42-S46 WeakPolarHBondContact O-CB 3.43Å; N42-S46 PolarHBondContact O-N 2.84Å; N42-S46 PolarHBondContact O-OG 3.45Å; N42-I93 HydrophobicContact CB-CD1 3.67Å
43T91.1Very high93.3Very high91 Ų9147.1 Ų47.156%0.55825%0.25SC*.Hα-helixtrans-67.1-41177.9-51.10000111.5N41 S47N41-T43 PolarHBondContact O-N 3.12Å; N41-T43 VanDerWaalsContact O-N 3.13Å; N41-T43 WeakPolarHBondContact OD1-CB 3.33Å; N41-T43 PolarHBondContact OD1-N 3.28Å; N41-T43 PolarHBondContact OD1-OG1 3.34Å; T43-S47 WeakPolarHBondContact O-CB 3.45Å; T43-S47 PolarHBondContact O-N 3.13Å; T43-S47 VanDerWaalsContact O-N 3.08Å
44I92.6Very high93.3Very high21 Ų2148.8 Ų48.811%0.10826%0.258CS..Hα-helixtrans-65.8-50.3176.7-64.5178.1000109.1I4 L7 L36 N39 N41 S46 S47 V48I4-I44 HydrophobicContact CG1-CD1 4.44Å; I4-I44 HydrophobicContact CG1-CG1 4.04Å; L7-I44 HydrophobicContact CD2-CG2 4.17Å; L36-I44 HydrophobicContact CB-CG2 4.41Å; L36-I44 HydrophobicContact CD2-CG2 4.33Å; N39-I44 HydrophobicContact CB-CG2 4.3Å; N41-I44 HydrophobicContact CB-CB 4.32Å; N41-I44 HydrophobicContact CB-CD1 3.95Å; N41-I44 HydrophobicContact CB-CG1 4.05Å; N41-I44 WeakPolarHBondContact O-CB 3.41Å; N41-I44 PolarHBondContact O-N 2.82Å; I44-S46 VanDerWaalsContact C-N 3.29Å; I44-S46 PolarHBondContact O-N 2.92Å; I44-S47 PolarHBondContact O-N 3.16Å; I44-S47 VanDerWaalsContact O-N 3.17Å; I44-V48 HydrophobicContact CG2-CG2 4.24Å; I44-V48 VanDerWaalsContact O-CG2 3.28Å; I44-V48 WeakPolarHBondContact O-CG2 3.46Å; I44-V48 PolarHBondContact O-N 3.26Å
45V93.8Very high93.3Very high2 Ų248.4 Ų48.41%0.01226%0.256CS..Hα-helixtrans-58.4-43179.8179.70000111.3L37 N39 N41 S47 V48 L49 L78 I93L37-V45 HydrophobicContact CD2-CG1 4.3Å; N39-V45 HydrophobicContact CB-CG2 4.19Å; N39-V45 VanDerWaalsContact O-CG2 3.27Å; N39-V45 WeakPolarHBondContact O-CG2 3.44Å; N41-V45 PolarHBondContact O-N 2.97Å; N41-V45 VanDerWaalsContact O-N 3.14Å; V45-S47 PolarHBondContact O-N 3.21Å; V45-V48 PolarHBondContact O-N 2.81Å; V45-L49 HydrophobicContact CG1-CD1 4.22Å; V45-L49 WeakPolarHBondContact O-CG 3.48Å; V45-L49 PolarHBondContact O-N 3.27Å; V45-L78 HydrophobicContact CG1-CD1 3.83Å; V45-L78 HydrophobicContact CG1-CD2 4.05Å; V45-I93 HydrophobicContact CB-CD1 4.44Å; V45-I93 HydrophobicContact CG1-CD1 4.47Å; V45-I93 HydrophobicContact CG1-CG2 3.83Å
46S93.2Very high93.2Very high46 Ų4642.5 Ų42.532%0.32223%0.226SC..Hα-helixtrans-61.9-44.1177.9-59.90000112.2N42 I44 L49 E50 I93N42-S46 VanDerWaalsContact O-CB 3.29Å; N42-S46 WeakPolarHBondContact O-CB 3.43Å; N42-S46 PolarHBondContact O-N 2.84Å; N42-S46 PolarHBondContact O-OG 3.45Å; I44-S46 VanDerWaalsContact C-N 3.29Å; I44-S46 PolarHBondContact O-N 2.92Å; S46-L49 PolarHBondContact O-N 3.47Å; S46-E50 PolarHBondContact O-N 3.11Å; S46-I93 WeakPolarHBondContact OG-CG1 3.27Å
47S93.2Very high93Very high19 Ų1943.1 Ų43.113%0.13325%0.246CC..Hα-helixtrans-69.4-34.7178.2176.20000112.3L7 T43 I44 V45 E50 T51L7-S47 VanDerWaalsContact CD2-CB 3.48Å; L7-S47 VanDerWaalsContact CD2-OG 3.23Å; L7-S47 WeakPolarHBondContact CD2-OG 3.38Å; L7-S47 WeakPolarHBondContact CG-OG 3.36Å; T43-S47 WeakPolarHBondContact O-CB 3.45Å; T43-S47 PolarHBondContact O-N 3.13Å; T43-S47 VanDerWaalsContact O-N 3.08Å; I44-S47 PolarHBondContact O-N 3.16Å; I44-S47 VanDerWaalsContact O-N 3.17Å; V45-S47 PolarHBondContact O-N 3.21Å; S47-E50 PolarHBondContact O-N 3.16Å; S47-T51 WeakPolarHBondContact O-CB 3.26Å; S47-T51 PolarHBondContact O-N 2.78Å; S47-T51 PolarHBondContact O-OG1 2.85Å
48V96.1Very high92.9Very high0 Ų045.5 Ų45.50%026%0.255CS..Hα-helixtrans-64-46.8172173.80000110.6L7 L33 L36 L37 I44 V45 E50 T51 L52L7-V48 HydrophobicContact CD1-CG2 3.77Å; L7-V48 HydrophobicContact CD2-CG2 3.7Å; L7-V48 HydrophobicContact CG-CG2 4.42Å; L33-V48 HydrophobicContact CB-CG1 4.17Å; L33-V48 HydrophobicContact CD2-CG1 4.5Å; L33-V48 VanDerWaalsContact O-CG1 3.31Å; L33-V48 WeakPolarHBondContact O-CG1 3.33Å; L36-V48 HydrophobicContact CB-CG2 3.65Å; L36-V48 HydrophobicContact CD1-CG2 4.18Å; L37-V48 HydrophobicContact CD2-CB 4.13Å; L37-V48 HydrophobicContact CD2-CG1 3.54Å; L37-V48 HydrophobicContact CG-CG1 3.92Å; I44-V48 HydrophobicContact CG2-CG2 4.24Å; I44-V48 VanDerWaalsContact O-CG2 3.28Å; I44-V48 WeakPolarHBondContact O-CG2 3.46Å; I44-V48 PolarHBondContact O-N 3.26Å; V45-V48 PolarHBondContact O-N 2.81Å; V48-E50 VanDerWaalsContact C-N 3.31Å; V48-E50 PolarHBondContact O-N 3.03Å; V48-T51 WeakPolarHBondContact O-CB 3.48Å; V48-T51 PolarHBondContact O-N 3.48Å; V48-L52 HydrophobicContact CG1-CD1 3.94Å; V48-L52 HydrophobicContact CG1-CG 4.24Å; V48-L52 WeakPolarHBondContact O-CG 3.17Å; V48-L52 PolarHBondContact O-N 2.89Å
49L96Very high92.6Very high0 Ų047.6 Ų47.60%027%0.267CS..Hα-helixtrans-61-40.5177.6-74.3173.2000111.9L37 V45 S46 L52 K53 L75 L78 I93 A97 L100L37-L49 HydrophobicContact CD2-CD2 3.74Å; L37-L49 HydrophobicContact CD2-CG 3.89Å; V45-L49 HydrophobicContact CG1-CD1 4.22Å; V45-L49 WeakPolarHBondContact O-CG 3.48Å; V45-L49 PolarHBondContact O-N 3.27Å; S46-L49 PolarHBondContact O-N 3.47Å; L49-L52 PolarHBondContact O-N 2.83Å; L49-K53 WeakPolarHBondContact O-CB 3.24Å; L49-K53 VanDerWaalsContact O-CG 3.3Å; L49-K53 WeakPolarHBondContact O-CG 3.47Å; L49-K53 PolarHBondContact O-N 3.48Å; L49-L75 HydrophobicContact CD2-CD2 3.58Å; L49-L78 HydrophobicContact CD1-CD1 4.48Å; L49-I93 HydrophobicContact CD1-CG2 3.85Å; L49-A97 HydrophobicContact CD1-CB 4.4Å; L49-A97 HydrophobicContact CD2-CB 4.34Å; L49-L100 HydrophobicContact CD2-CD2 4.03Å
50E95.4Very high92.4Very high89 Ų8946.4 Ų46.442%0.41627%0.269SS..Hα-helixtrans-61.7-45.3174-168.4-174-177.200111.4K11 S46 S47 V48 L52 K53 I54K11-E50 WeakPolarHBondContact CE-OE1 3.5Å; K11-E50 IonicContact NZ-OE1 2.72Å; K11-E50 PolarHBondContact NZ-OE1 2.84Å; K11-E50 IonicContact NZ-OE2 2.78Å; K11-E50 PolarHBondContact NZ-OE2 2.72Å; S46-E50 PolarHBondContact O-N 3.11Å; S47-E50 PolarHBondContact O-N 3.16Å; V48-E50 VanDerWaalsContact C-N 3.31Å; V48-E50 PolarHBondContact O-N 3.03Å; E50-L52 PolarHBondContact O-N 2.92Å; E50-K53 WeakPolarHBondContact O-CB 3.36Å; E50-K53 PolarHBondContact O-N 2.69Å; E50-I54 WeakPolarHBondContact O-CG1 3.27Å; E50-I54 PolarHBondContact O-N 2.73Å
51T96.1Very high92.5Very high0 Ų036.6 Ų36.60%023%0.226CC..Hα-helixtrans-62-44.6177.1-56.10000111.6V10 A14 L33 S47 V48 K53 I54 I55V10-T51 HydrophobicContact CG1-CG2 4.15Å; A14-T51 HydrophobicContact CB-CG2 4.41Å; L33-T51 HydrophobicContact CD1-CG2 4.08Å; S47-T51 WeakPolarHBondContact O-CB 3.26Å; S47-T51 PolarHBondContact O-N 2.78Å; S47-T51 PolarHBondContact O-OG1 2.85Å; V48-T51 WeakPolarHBondContact O-CB 3.48Å; V48-T51 PolarHBondContact O-N 3.48Å; T51-K53 VanDerWaalsContact C-N 3.31Å; T51-K53 PolarHBondContact O-N 2.79Å; T51-I54 PolarHBondContact O-N 3.05Å; T51-I55 HydrophobicContact CG2-CD1 4.12Å; T51-I55 VanDerWaalsContact O-CG1 3.32Å; T51-I55 WeakPolarHBondContact O-CG1 3.49Å; T51-I55 PolarHBondContact O-N 3.24Å
52L96.3Very high92.5Very high0 Ų035.3 Ų35.30%022%0.22CC..Hα-helixtrans-64.3-35.8176.1-68.7174.6000111.9L33 L37 V48 L49 E50 I55 S56 L65 L71 L100L33-L52 HydrophobicContact CB-CD2 4.18Å; L33-L52 HydrophobicContact CD1-CD2 4.06Å; L37-L52 HydrophobicContact CD1-CD1 3.99Å; L37-L52 HydrophobicContact CD2-CD1 4.27Å; L37-L52 HydrophobicContact CG-CD1 4.41Å; V48-L52 HydrophobicContact CG1-CD1 3.94Å; V48-L52 HydrophobicContact CG1-CG 4.24Å; V48-L52 WeakPolarHBondContact O-CG 3.17Å; V48-L52 PolarHBondContact O-N 2.89Å; L49-L52 PolarHBondContact O-N 2.83Å; E50-L52 PolarHBondContact O-N 2.92Å; L52-I55 PolarHBondContact O-N 3.04Å; L52-S56 WeakPolarHBondContact O-CB 3.41Å; L52-S56 PolarHBondContact O-N 3.04Å; L52-L65 HydrophobicContact CD2-CD2 3.62Å; L52-L65 WeakPolarHBondContact O-CD1 3.48Å; L52-L71 HydrophobicContact CD1-CD1 3.95Å; L52-L100 HydrophobicContact CB-CD1 4.49Å; L52-L100 HydrophobicContact CB-CD2 3.64Å; L52-L100 HydrophobicContact CD1-CD2 4.05Å
53K94.4Very high92.4Very high50 Ų5036.6 Ų36.622%0.21723%0.226CC..Hα-helixtrans-63.5-45.1172.9-78.8177.1172.8-177.30111.6L49 E50 T51 I55 S56 G57 S96 E99 L100L49-K53 WeakPolarHBondContact O-CB 3.24Å; L49-K53 VanDerWaalsContact O-CG 3.3Å; L49-K53 WeakPolarHBondContact O-CG 3.47Å; L49-K53 PolarHBondContact O-N 3.48Å; E50-K53 WeakPolarHBondContact O-CB 3.36Å; E50-K53 PolarHBondContact O-N 2.69Å; T51-K53 VanDerWaalsContact C-N 3.31Å; T51-K53 PolarHBondContact O-N 2.79Å; K53-I55 VanDerWaalsContact C-N 3.32Å; K53-I55 PolarHBondContact O-N 3.03Å; K53-S56 WeakPolarHBondContact CA-OG 3.21Å; K53-S56 PolarHBondContact O-N 3.18Å; K53-S56 PolarHBondContact O-OG 3.35Å; K53-G57 PolarHBondContact O-N 3.46Å; K53-S96 WeakPolarHBondContact CE-O 3.46Å; K53-S96 VanDerWaalsContact CE-OG 3.24Å; K53-S96 WeakPolarHBondContact CE-OG 3.42Å; K53-S96 PolarHBondContact NZ-OG 3.47Å; K53-E99 IonicContact NZ-OE2 2.68Å; K53-E99 PolarHBondContact NZ-OE2 3.49Å; K53-L100 HydrophobicContact CG-CB 4.37Å; K53-L100 HydrophobicContact CG-CD1 3.97Å
54I94.9Very high92.5Very high40 Ų4033.5 Ų33.521%0.20521%0.207CC..Hα-helixtrans-57-49.3173.9-66.2164.1000109.5K11 A14 E15 E50 T51 S56 G57 R58K11-I54 HydrophobicContact CD-CD1 4.47Å; K11-I54 HydrophobicContact CG-CD1 3.92Å; A14-I54 HydrophobicContact CB-CG2 4Å; E15-I54 HydrophobicContact CG-CD1 4.21Å; E15-I54 HydrophobicContact CG-CG2 4.26Å; E50-I54 WeakPolarHBondContact O-CG1 3.27Å; E50-I54 PolarHBondContact O-N 2.73Å; T51-I54 PolarHBondContact O-N 3.05Å; I54-S56 VanDerWaalsContact C-N 3.34Å; I54-S56 PolarHBondContact O-N 2.84Å; I54-G57 PolarHBondContact O-N 3.26Å; I54-R58 WeakPolarHBondContact O-CG 3.26Å; I54-R58 PolarHBondContact O-N 2.85Å
55I95.8Very high92.5Very high1 Ų132.5 Ų32.51%0.00520%0.202CC..Hα-helixtrans-59.4-44.6178.9-65.7164.8000111.1A14 Y20 L23 L30 L33 T51 L52 K53 G57 R58 G61 L65A14-I55 HydrophobicContact CB-CG1 3.91Å; Y20-I55 HydrophobicContact CE2-CG2 4.36Å; Y20-I55 PolarHBondContact OH-O 2.93Å; L23-I55 HydrophobicContact CD2-CD1 4.26Å; L23-I55 HydrophobicContact CD2-CG1 4.46Å; L30-I55 HydrophobicContact CD2-CD1 3.87Å; L33-I55 HydrophobicContact CD1-CD1 3.93Å; T51-I55 HydrophobicContact CG2-CD1 4.12Å; T51-I55 VanDerWaalsContact O-CG1 3.32Å; T51-I55 WeakPolarHBondContact O-CG1 3.49Å; T51-I55 PolarHBondContact O-N 3.24Å; L52-I55 PolarHBondContact O-N 3.04Å; K53-I55 VanDerWaalsContact C-N 3.32Å; K53-I55 PolarHBondContact O-N 3.03Å; I55-G57 VanDerWaalsContact C-N 3.28Å; I55-G57 PolarHBondContact O-N 3.44Å; I55-R58 PolarHBondContact O-N 2.92Å; I55-R58 VanDerWaalsContact O-N 3.11Å; I55-G61 WeakPolarHBondContact O-CA 3.31Å; I55-L65 HydrophobicContact CB-CD1 4.34Å; I55-L65 HydrophobicContact CG2-CD1 4.03Å; I55-L65 HydrophobicContact CG2-CD2 4.11Å; I55-L65 HydrophobicContact CG2-CG 4.01Å
56S92.2Very high92.3Very high8 Ų835.1 Ų35.16%0.05621%0.214CC..Hα-helixtrans-62.4-31.5179.777.20000113.4L52 K53 I54 R58 N62L52-S56 WeakPolarHBondContact O-CB 3.41Å; L52-S56 PolarHBondContact O-N 3.04Å; K53-S56 WeakPolarHBondContact CA-OG 3.21Å; K53-S56 PolarHBondContact O-N 3.18Å; K53-S56 PolarHBondContact O-OG 3.35Å; I54-S56 VanDerWaalsContact C-N 3.34Å; I54-S56 PolarHBondContact O-N 2.84Å; S56-R58 VanDerWaalsContact C-N 3.26Å; S56-R58 PolarHBondContact O-N 3.06Å; S56-N62 WeakPolarHBondContact CA-OD1 3.43Å; S56-N62 VanDerWaalsContact CB-OD1 3.28Å; S56-N62 WeakPolarHBondContact CB-OD1 3.39Å; S56-N62 VanDerWaalsContact O-CG 3.31Å; S56-N62 PolarHBondContact O-ND2 3.29Å; S56-N62 PolarHBondContact O-OD1 3.11Å; S56-N62 VanDerWaalsContact O-OD1 3.08Å
57G88.4Confident92.2Very high71 Ų7136.2 Ų36.273%0.73222%0.222SC*.Hα-helixtrans-77.2-9.917700000114.1K53 I54 I55K53-G57 PolarHBondContact O-N 3.46Å; I54-G57 PolarHBondContact O-N 3.26Å; I55-G57 VanDerWaalsContact C-N 3.28Å; I55-G57 PolarHBondContact O-N 3.44Å
58R91.6Very high92.3Very high51 Ų5135.5 Ų35.519%0.19222%0.217CC..SBendtrans-101.3155.3-176.9-68.9-161.382.5157.421.2112.1A14 E15 D17 Y20 I54 I55 S56 G60 G61A14-R58 VanDerWaalsContact O-CD 3.23Å; A14-R58 WeakPolarHBondContact O-CD 3.31Å; A14-R58 PolarHBondContact O-NH1 3.14Å; E15-R58 VanDerWaalsContact C-NH1 3.3Å; E15-R58 PolarHBondContact O-NH1 2.73Å; D17-R58 IonicContact OD1-CZ 2.71Å; D17-R58 IonicContact OD1-NH1 3.72Å; D17-R58 IonicContact OD1-NH2 2.73Å; D17-R58 PolarHBondContact OD1-NH2 3.36Å; D17-R58 IonicContact OD2-NH2 3.62Å; Y20-R58 HydrophobicContact CD2-CB 4.36Å; Y20-R58 HydrophobicContact CE1-CB 3.83Å; Y20-R58 HydrophobicContact CE2-CB 3.6Å; Y20-R58 HydrophobicContact CE2-CG 4.19Å; Y20-R58 WeakPolarHBondContact OH-CB 3.33Å; Y20-R58 PolarHBondContact OH-O 3.24Å; I54-R58 WeakPolarHBondContact O-CG 3.26Å; I54-R58 PolarHBondContact O-N 2.85Å; I55-R58 PolarHBondContact O-N 2.92Å; I55-R58 VanDerWaalsContact O-N 3.11Å; S56-R58 VanDerWaalsContact C-N 3.26Å; S56-R58 PolarHBondContact O-N 3.06Å; R58-G60 PolarHBondContact O-N 2.85Å; R58-G61 PolarHBondContact O-N 2.73Å
59P86.5Confident92.1Very high111 Ų11142.6 Ų42.672%0.72125%0.254SS*.THydrogen-bonded Turntrans-62.8129-172.223.9-34.7000112.8Y20 G61Y20-P59 PolarHBondContact OH-O 2.89Å; P59-G61 PolarHBondContact O-N 2.98Å
60G86.5Confident91.9Very high35 Ų3544 Ų4436%0.36127%0.269SS..THydrogen-bonded Turntrans78.5-10-176.600000114.4I24 R58 D63 T64I24-G60 VanDerWaalsContact CD1-C 3.48Å; R58-G60 PolarHBondContact O-N 2.85Å; G60-D63 PolarHBondContact O-N 2.68Å; G60-T64 WeakPolarHBondContact O-CB 3.48Å; G60-T64 PolarHBondContact O-N 3.2Å; G60-T64 PolarHBondContact O-OG1 3.45Å
61G89.9Confident92Very high0 Ų039.8 Ų39.80%025%0.249CC..Hα-helixtrans-61.3-47.8-179.100000112.8Y20 I55 R58 P59 D63 T64 L65Y20-G61 WeakPolarHBondContact OH-CA 3.5Å; Y20-G61 PolarHBondContact OH-N 2.8Å; I55-G61 WeakPolarHBondContact O-CA 3.31Å; R58-G61 PolarHBondContact O-N 2.73Å; P59-G61 PolarHBondContact O-N 2.98Å; G61-D63 PolarHBondContact O-N 3.34Å; G61-T64 PolarHBondContact O-N 3.43Å; G61-L65 WeakPolarHBondContact O-CB 3.21Å; G61-L65 VanDerWaalsContact O-CG 3.26Å; G61-L65 WeakPolarHBondContact O-CG 3.48Å; G61-L65 PolarHBondContact O-N 2.98Å
62N89.2Confident91.9Very high36 Ų3642.6 Ų42.619%0.19326%0.264CS..Hα-helixtrans-56.9-48.7177.4-76.2-29.3000112.8S56 T64 L65 Q66 L104S56-N62 WeakPolarHBondContact CA-OD1 3.43Å; S56-N62 VanDerWaalsContact CB-OD1 3.28Å; S56-N62 WeakPolarHBondContact CB-OD1 3.39Å; S56-N62 VanDerWaalsContact O-CG 3.31Å; S56-N62 PolarHBondContact O-ND2 3.29Å; S56-N62 PolarHBondContact O-OD1 3.11Å; S56-N62 VanDerWaalsContact O-OD1 3.08Å; N62-T64 VanDerWaalsContact C-N 3.27Å; N62-T64 PolarHBondContact O-N 2.76Å; N62-L65 PolarHBondContact O-N 3.33Å; N62-Q66 WeakPolarHBondContact O-CB 3.44Å; N62-Q66 VanDerWaalsContact O-CG 3.31Å; N62-Q66 WeakPolarHBondContact O-CG 3.45Å; N62-Q66 PolarHBondContact O-N 3.34Å; N62-L104 HydrophobicContact CB-CD2 4.46Å
63D88.2Confident91.8Very high97 Ų9748.1 Ų48.152%0.51929%0.29SS..Hα-helixtrans-62.7-38.3-180-59.2-33.7000111.2G60 G61 S67G60-D63 PolarHBondContact O-N 2.68Å; G61-D63 PolarHBondContact O-N 3.34Å; D63-S67 PolarHBondContact O-N 3.03Å; D63-S67 VanDerWaalsContact O-N 3.17Å
64T91.9Very high91.8Very high27 Ų2747.1 Ų47.117%0.16629%0.286CS..Hα-helixtrans-71.2-46.3-179.7-54.50000110.7I24 L30 G60 G61 N62 S67 L68I24-T64 WeakPolarHBondContact CD1-OG1 3.35Å; I24-T64 HydrophobicContact CG1-CG2 3.87Å; I24-T64 WeakPolarHBondContact CG1-OG1 3.43Å; L30-T64 HydrophobicContact CD1-CG2 3.49Å; L30-T64 VanDerWaalsContact CD1-CG2 3.49Å; G60-T64 WeakPolarHBondContact O-CB 3.48Å; G60-T64 PolarHBondContact O-N 3.2Å; G60-T64 PolarHBondContact O-OG1 3.45Å; G61-T64 PolarHBondContact O-N 3.43Å; N62-T64 VanDerWaalsContact C-N 3.27Å; N62-T64 PolarHBondContact O-N 2.76Å; T64-S67 WeakPolarHBondContact O-CB 3.38Å; T64-S67 PolarHBondContact O-N 3.33Å; T64-S67 VanDerWaalsContact O-N 3.08Å; T64-S67 PolarHBondContact O-OG 3Å; T64-L68 WeakPolarHBondContact O-CG 3.47Å; T64-L68 PolarHBondContact O-N 3.12Å
65L93.5Very high91.8Very high0 Ų045.2 Ų45.20%028%0.276CS..Hα-helixtrans-61.8-42176.4-70.5-178.2000111.9L52 I55 G61 N62 S67 L68 L71 L104L52-L65 HydrophobicContact CD2-CD2 3.62Å; L52-L65 WeakPolarHBondContact O-CD1 3.48Å; I55-L65 HydrophobicContact CB-CD1 4.34Å; I55-L65 HydrophobicContact CG2-CD1 4.03Å; I55-L65 HydrophobicContact CG2-CD2 4.11Å; I55-L65 HydrophobicContact CG2-CG 4.01Å; G61-L65 WeakPolarHBondContact O-CB 3.21Å; G61-L65 VanDerWaalsContact O-CG 3.26Å; G61-L65 WeakPolarHBondContact O-CG 3.48Å; G61-L65 PolarHBondContact O-N 2.98Å; N62-L65 PolarHBondContact O-N 3.33Å; L65-S67 PolarHBondContact O-N 2.85Å; L65-L68 HydrophobicContact CD2-CD1 3.64Å; L65-L68 WeakPolarHBondContact O-CB 3.43Å; L65-L68 PolarHBondContact O-N 3.18Å; L65-L68 VanDerWaalsContact O-N 3.08Å; L65-L71 HydrophobicContact CB-CD2 3.9Å; L65-L71 HydrophobicContact CD2-CD2 4.4Å; L65-L71 VanDerWaalsContact O-CD2 3.26Å; L65-L71 WeakPolarHBondContact O-CD2 3.38Å; L65-L104 HydrophobicContact CB-CD2 3.72Å; L65-L104 HydrophobicContact CD1-CD2 4.08Å
66Q89.7Confident91.7Very high57 Ų5748 Ų4827%0.26629%0.291SS..Hα-helixtrans-61.8-30.2173.9-76.1-176.726.700112.8N62 L68 L104N62-Q66 WeakPolarHBondContact O-CB 3.44Å; N62-Q66 VanDerWaalsContact O-CG 3.31Å; N62-Q66 WeakPolarHBondContact O-CG 3.45Å; N62-Q66 PolarHBondContact O-N 3.34Å; Q66-L68 VanDerWaalsContact C-N 3.28Å; Q66-L68 PolarHBondContact O-N 2.77Å; Q66-L104 HydrophobicContact CG-CB 4.36Å; Q66-L104 HydrophobicContact CG-CD2 4.39Å; Q66-L104 PolarHBondContact NE2-O 3.15Å
67S91.2Very high91.7Very high68 Ų6852.5 Ų52.548%0.47631%0.311SS..THydrogen-bonded Turntrans-76.5-12.7176.883.10000113.9D63 T64 L65 L69D63-S67 PolarHBondContact O-N 3.03Å; D63-S67 VanDerWaalsContact O-N 3.17Å; T64-S67 WeakPolarHBondContact O-CB 3.38Å; T64-S67 PolarHBondContact O-N 3.33Å; T64-S67 VanDerWaalsContact O-N 3.08Å; T64-S67 PolarHBondContact O-OG 3Å; L65-S67 PolarHBondContact O-N 2.85Å; S67-L69 PolarHBondContact O-N 3.09Å
68L93.4Very high91.8Very high5 Ų550.5 Ų50.53%0.02628%0.284CS..SBendtrans-74.4124.3179.6-59.6177000110.6L30 H31 V34 T64 L65 Q66 G70 L71L30-L68 HydrophobicContact CB-CD1 3.87Å; L30-L68 HydrophobicContact CB-CD2 3.86Å; H31-L68 VanDerWaalsContact CE1-CD2 3.41Å; H31-L68 WeakPolarHBondContact CE1-CD2 3.41Å; V34-L68 HydrophobicContact CG2-CB 4.14Å; V34-L68 HydrophobicContact CG2-CD1 3.8Å; T64-L68 WeakPolarHBondContact O-CG 3.47Å; T64-L68 PolarHBondContact O-N 3.12Å; L65-L68 HydrophobicContact CD2-CD1 3.64Å; L65-L68 WeakPolarHBondContact O-CB 3.43Å; L65-L68 PolarHBondContact O-N 3.18Å; L65-L68 VanDerWaalsContact O-N 3.08Å; Q66-L68 VanDerWaalsContact C-N 3.28Å; Q66-L68 PolarHBondContact O-N 2.77Å; L68-G70 PolarHBondContact O-N 3.45Å; L68-L71 HydrophobicContact CB-CB 4.21Å
69L92.3Very high91.8Very high148 Ų14849.4 Ų49.478%0.77528%0.281SS*.THydrogen-bonded Turntrans-69.4134.6179.7-175.767.6000110.2S67 L71S67-L69 PolarHBondContact O-N 3.09Å; L69-L71 PolarHBondContact O-N 2.77Å
70G93.3Very high91.9Very high31 Ų3150.3 Ų50.332%0.3227%0.274SS..THydrogen-bonded Turntrans81-9.8175.200000115L68 N72 E73 Q74L68-G70 PolarHBondContact O-N 3.45Å; G70-N72 PolarHBondContact O-N 3.21Å; G70-E73 PolarHBondContact O-N 2.8Å; G70-E73 VanDerWaalsContact O-N 3.14Å; G70-Q74 WeakPolarHBondContact O-CB 3.31Å; G70-Q74 WeakPolarHBondContact O-CG 3.49Å; G70-Q74 PolarHBondContact O-N 2.79Å
71L96.2Very high91.5Very high0 Ų052.6 Ų52.60%028%0.284CS..Hα-helixtrans-56.6-51.3177.9175.163.4000111.4V34 L37 L52 L65 L68 L69 E73 Q74 L75 L104V34-L71 HydrophobicContact CG1-CB 4.34Å; V34-L71 HydrophobicContact CG2-CB 4.01Å; V34-L71 HydrophobicContact CG2-CD1 4.05Å; L37-L71 HydrophobicContact CD1-CD1 3.77Å; L52-L71 HydrophobicContact CD1-CD1 3.95Å; L65-L71 HydrophobicContact CB-CD2 3.9Å; L65-L71 HydrophobicContact CD2-CD2 4.4Å; L65-L71 VanDerWaalsContact O-CD2 3.26Å; L65-L71 WeakPolarHBondContact O-CD2 3.38Å; L68-L71 HydrophobicContact CB-CB 4.21Å; L69-L71 PolarHBondContact O-N 2.77Å; L71-E73 VanDerWaalsContact C-N 3.29Å; L71-E73 PolarHBondContact O-N 3.23Å; L71-Q74 PolarHBondContact O-N 3.16Å; L71-L75 HydrophobicContact CD1-CD1 4.1Å; L71-L75 HydrophobicContact CD1-CG 4.11Å; L71-L75 HydrophobicContact CG-CD1 4.16Å; L71-L75 HydrophobicContact CG-CG 4.5Å; L71-L75 WeakPolarHBondContact O-CG 3.26Å; L71-L75 PolarHBondContact O-N 2.76Å; L71-L104 HydrophobicContact CD2-CD1 3.84Å
72N94.1Very high90.6Very high58 Ų5854 Ų5431%0.3129%0.293SS..Hα-helixtrans-62.1-36.6178.3-71.1-51000112.3G70 N76 L101G70-N72 PolarHBondContact O-N 3.21Å; N72-N76 WeakPolarHBondContact O-CB 3.37Å; N72-N76 PolarHBondContact O-N 3.32Å; N72-N76 PolarHBondContact O-ND2 3.06Å; N72-L101 VanDerWaalsContact OD1-CD1 3.22Å; N72-L101 WeakPolarHBondContact OD1-CD1 3.43Å
73E93.6Very high89.3Confident116 Ų11660.5 Ų60.554%0.54232%0.322SS..Hα-helixtrans-65.5-46.5177.4-171.961.9-150.400110.7G70 L71 L75 N76 E77G70-E73 PolarHBondContact O-N 2.8Å; G70-E73 VanDerWaalsContact O-N 3.14Å; L71-E73 VanDerWaalsContact C-N 3.29Å; L71-E73 PolarHBondContact O-N 3.23Å; E73-L75 PolarHBondContact O-N 2.98Å; E73-N76 PolarHBondContact O-N 3.03Å; E73-E77 WeakPolarHBondContact O-CB 3.31Å; E73-E77 PolarHBondContact O-N 3.45Å
74Q94.6Very high88Confident30 Ų3061.4 Ų61.414%0.1434%0.336CS..Hα-helixtrans-63.1-42.1178.4-72.5-60.4-58.800112.6V34 L37 S38 G70 L71 E77 L78V34-Q74 HydrophobicContact CG1-CG 4.21Å; L37-Q74 HydrophobicContact CB-CB 4.19Å; L37-Q74 HydrophobicContact CD1-CB 4.07Å; S38-Q74 PolarHBondContact OG-OE1 3.36Å; G70-Q74 WeakPolarHBondContact O-CB 3.31Å; G70-Q74 WeakPolarHBondContact O-CG 3.49Å; G70-Q74 PolarHBondContact O-N 2.79Å; L71-Q74 PolarHBondContact O-N 3.16Å; Q74-E77 PolarHBondContact NE2-OE2 2.86Å; Q74-E77 PolarHBondContact O-N 2.84Å; Q74-L78 WeakPolarHBondContact O-CG 3.41Å; Q74-L78 PolarHBondContact O-N 2.92Å
75L95.4Very high86.4Confident0 Ų063.7 Ų63.70%037%0.365CS..Hα-helixtrans-62.3-44.3174.1-66.5178.8000111.1L37 L49 L71 E73 E77 L78 I79 A97 L100 L101 L104L37-L75 HydrophobicContact CD1-CD2 4.1Å; L49-L75 HydrophobicContact CD2-CD2 3.58Å; L71-L75 HydrophobicContact CD1-CD1 4.1Å; L71-L75 HydrophobicContact CD1-CG 4.11Å; L71-L75 HydrophobicContact CG-CD1 4.16Å; L71-L75 HydrophobicContact CG-CG 4.5Å; L71-L75 WeakPolarHBondContact O-CG 3.26Å; L71-L75 PolarHBondContact O-N 2.76Å; E73-L75 PolarHBondContact O-N 2.98Å; L75-E77 VanDerWaalsContact C-N 3.32Å; L75-E77 PolarHBondContact O-N 3.22Å; L75-L78 PolarHBondContact O-N 3.5Å; L75-I79 WeakPolarHBondContact O-CD1 3.5Å; L75-I79 WeakPolarHBondContact O-CG1 3.43Å; L75-I79 PolarHBondContact O-N 2.79Å; L75-I79 VanDerWaalsContact O-N 3.13Å; L75-A97 HydrophobicContact CD2-CB 3.98Å; L75-L100 HydrophobicContact CD1-CD2 4.09Å; L75-L100 HydrophobicContact CD1-CG 4.2Å; L75-L100 HydrophobicContact CD2-CD2 4.04Å; L75-L101 HydrophobicContact CD1-CB 4.32Å; L75-L101 HydrophobicContact CD1-CD1 4.31Å; L75-L104 HydrophobicContact CD1-CD1 4.35Å
76N93.6Very high85Confident58 Ų5864.9 Ų64.931%0.3138%0.377SS..Hα-helixtrans-64.5-34.8176.5-77.7-58.3000112.9N72 E73 I79 K80N72-N76 WeakPolarHBondContact O-CB 3.37Å; N72-N76 PolarHBondContact O-N 3.32Å; N72-N76 PolarHBondContact O-ND2 3.06Å; E73-N76 PolarHBondContact O-N 3.03Å; N76-I79 PolarHBondContact O-N 2.69Å; N76-K80 VanDerWaalsContact O-CG 3.29Å; N76-K80 WeakPolarHBondContact O-CG 3.48Å; N76-K80 PolarHBondContact O-N 3.38Å
77E92.1Very high84.3Confident104 Ų10466.1 Ų66.149%0.48639%0.392SS..Hα-helixtrans-64.3-44.9175.2-172.7177.8-176.800111.6E73 Q74 L75 I79 K80 S81E73-E77 WeakPolarHBondContact O-CB 3.31Å; E73-E77 PolarHBondContact O-N 3.45Å; Q74-E77 PolarHBondContact NE2-OE2 2.86Å; Q74-E77 PolarHBondContact O-N 2.84Å; L75-E77 VanDerWaalsContact C-N 3.32Å; L75-E77 PolarHBondContact O-N 3.22Å; E77-I79 VanDerWaalsContact C-N 3.26Å; E77-I79 PolarHBondContact O-N 3.24Å; E77-K80 PolarHBondContact O-N 2.82Å; E77-S81 WeakPolarHBondContact O-CB 3.36Å; E77-S81 PolarHBondContact O-N 2.79Å
78L91Very high83.8Confident29 Ų2968.6 Ų68.615%0.15240%0.404CS..Hα-helixtrans-61-35.6175.7-70.4174.8000112.6L37 V45 L49 Q74 L75 I93 A97L37-L78 HydrophobicContact CB-CD1 4.28Å; L37-L78 HydrophobicContact CD2-CD1 4.11Å; V45-L78 HydrophobicContact CG1-CD1 3.83Å; V45-L78 HydrophobicContact CG1-CD2 4.05Å; L49-L78 HydrophobicContact CD1-CD1 4.48Å; Q74-L78 WeakPolarHBondContact O-CG 3.41Å; Q74-L78 PolarHBondContact O-N 2.92Å; L75-L78 PolarHBondContact O-N 3.5Å; L78-I93 HydrophobicContact CB-CG2 4.48Å; L78-I93 HydrophobicContact CD1-CG2 4.3Å; L78-I93 HydrophobicContact CD2-CG2 4.18Å; L78-A97 HydrophobicContact CB-CB 4.29Å
79I91Very high83.2Confident28 Ų2870.2 Ų70.214%0.14442%0.418CS..Hα-helixtrans-69-50.7177.8-64.6167000110.5L75 N76 E77 S81 T82 S94 A97 E98 L101L75-I79 WeakPolarHBondContact O-CD1 3.5Å; L75-I79 WeakPolarHBondContact O-CG1 3.43Å; L75-I79 PolarHBondContact O-N 2.79Å; L75-I79 VanDerWaalsContact O-N 3.13Å; N76-I79 PolarHBondContact O-N 2.69Å; E77-I79 VanDerWaalsContact C-N 3.26Å; E77-I79 PolarHBondContact O-N 3.24Å; I79-S81 VanDerWaalsContact C-N 3.3Å; I79-S81 PolarHBondContact O-N 3.38Å; I79-T82 PolarHBondContact O-N 2.73Å; I79-S94 WeakPolarHBondContact CA-OG 3.38Å; I79-A97 HydrophobicContact CD1-CB 4.4Å; I79-A97 HydrophobicContact CG1-CB 4.01Å; I79-E98 HydrophobicContact CD1-CB 4.36Å; I79-E98 HydrophobicContact CD1-CG 3.57Å; I79-E98 HydrophobicContact CG1-CG 3.76Å; I79-E98 HydrophobicContact CG2-CG 4.09Å; I79-L101 HydrophobicContact CD1-CD2 4.09Å
80K88.2Confident82.8Confident129 Ų12964.2 Ų64.256%0.56139%0.39SS*.Hα-helixtrans-62.4-35.3179.8-70.4169.8-174.6172.10113N76 E77 T82 E83N76-K80 VanDerWaalsContact O-CG 3.29Å; N76-K80 WeakPolarHBondContact O-CG 3.48Å; N76-K80 PolarHBondContact O-N 3.38Å; E77-K80 PolarHBondContact O-N 2.82Å; K80-T82 PolarHBondContact O-N 2.89Å; K80-T82 VanDerWaalsContact O-N 3.16Å; K80-E83 PolarHBondContact O-N 2.75Å
81S79.9Confident82.5Confident84 Ų8468 Ų6859%0.58740%0.4SS*.Hα-helixtrans-59.5-26.1-179.2-170.80000113.1E77 I79E77-S81 WeakPolarHBondContact O-CB 3.36Å; E77-S81 PolarHBondContact O-N 2.79Å; I79-S81 VanDerWaalsContact C-N 3.3Å; I79-S81 PolarHBondContact O-N 3.38Å
82T69.2Low82.2Confident28 Ų2871.3 Ų71.317%0.17242%0.422CS..Hα-helixtrans-78.4-25.7-177.2-68.20000113.9I79 K80 S84 G85 A90 Q91 S94I79-T82 PolarHBondContact O-N 2.73Å; K80-T82 PolarHBondContact O-N 2.89Å; K80-T82 VanDerWaalsContact O-N 3.16Å; T82-S84 PolarHBondContact O-N 2.73Å; T82-S84 VanDerWaalsContact O-N 3.08Å; T82-G85 PolarHBondContact O-N 2.78Å; T82-A90 PolarHBondContact OG1-O 3.21Å; T82-Q91 HydrophobicContact CG2-CB 4.41Å; T82-Q91 HydrophobicContact CG2-CG 3.85Å; T82-S94 VanDerWaalsContact OG1-CB 3.3Å; T82-S94 WeakPolarHBondContact OG1-CB 3.17Å
83E63Low82.1Confident173 Ų17368.9 Ų68.981%0.80841%0.409SS*.THydrogen-bonded Turntrans-62.3-19.2-179.4-64.1-171.8158.700112.8K80 G85K80-E83 PolarHBondContact O-N 2.75Å; E83-G85 VanDerWaalsContact C-N 3.31Å; E83-G85 PolarHBondContact O-N 3.08Å
84S60.4Low82Confident117 Ų11763.7 Ų63.782%0.81839%0.386SS*.THydrogen-bonded Turntrans-81.59.6-176.3-176.50000115.5T82T82-S84 PolarHBondContact O-N 2.73Å; T82-S84 VanDerWaalsContact O-N 3.08Å
85G59.3Low81.9Confident74 Ų7470.6 Ų70.676%0.76341%0.411SS*.THydrogen-bonded Turntrans96.237.2-179.300000114.2T82 E83T82-G85 PolarHBondContact O-N 2.78Å; E83-G85 VanDerWaalsContact C-N 3.31Å; E83-G85 PolarHBondContact O-N 3.08Å
86G62.8Low81.9Confident25 Ų2571.6 Ų71.626%0.25842%0.418SS..  trans-66.3150-174.700000115.4
87S75.2Confident81.9Confident84 Ų8468.9 Ų68.959%0.58740%0.403SS*.  trans-50.7155167.9174.40000112.4A89 A90 Q91S87-A89 PolarHBondContact O-N 2.73Å; S87-A89 VanDerWaalsContact O-N 3.07Å; S87-A90 WeakPolarHBondContact O-CA 3.49Å; S87-A90 WeakPolarHBondContact O-CB 3.22Å; S87-A90 PolarHBondContact O-N 2.69Å; S87-Q91 PolarHBondContact O-N 2.89Å
88V81.3Confident82Confident119 Ų11968.5 Ų68.572%0.72140%0.402SS*.Hα-helixtrans-49.2-37.8177.6178.60000112.3Q91 S92V88-Q91 PolarHBondContact O-N 2.99Å; V88-S92 PolarHBondContact O-N 3.4Å
89A81.1Confident82.1Confident40 Ų4071.6 Ų71.633%0.33142%0.415SS..Hα-helixtrans-67.3-34.2177.100000113.4S87 S92 I93S87-A89 PolarHBondContact O-N 2.73Å; S87-A89 VanDerWaalsContact O-N 3.07Å; A89-S92 WeakPolarHBondContact CA-OG 3.37Å; A89-S92 PolarHBondContact O-OG 2.85Å; A89-I93 WeakPolarHBondContact O-CD1 3.36Å; A89-I93 VanDerWaalsContact O-CG1 3.3Å; A89-I93 WeakPolarHBondContact O-CG1 3.48Å; A89-I93 PolarHBondContact O-N 3.14Å
90A82.8Confident82.2Confident22 Ų2270.2 Ų70.218%0.18241%0.408CS..Hα-helixtrans-68.4-39.1175.900000110.9T82 S87 S92 I93 S94T82-A90 PolarHBondContact OG1-O 3.21Å; S87-A90 WeakPolarHBondContact O-CA 3.49Å; S87-A90 WeakPolarHBondContact O-CB 3.22Å; S87-A90 PolarHBondContact O-N 2.69Å; A90-S92 PolarHBondContact O-N 2.97Å; A90-I93 WeakPolarHBondContact O-CB 3.26Å; A90-I93 PolarHBondContact O-N 2.78Å; A90-S94 PolarHBondContact O-N 3.21Å
91Q87.4Confident82.4Confident111 Ų11165.2 Ų65.252%0.51939%0.387SS..Hα-helixtrans-62.7-40.8176.4-64.4-179.86.900112.4T82 S87 V88 I93 S94 R95T82-Q91 HydrophobicContact CG2-CB 4.41Å; T82-Q91 HydrophobicContact CG2-CG 3.85Å; S87-Q91 PolarHBondContact O-N 2.89Å; V88-Q91 PolarHBondContact O-N 2.99Å; Q91-I93 VanDerWaalsContact C-N 3.32Å; Q91-I93 PolarHBondContact O-N 3.44Å; Q91-S94 PolarHBondContact O-N 3.06Å; Q91-R95 PolarHBondContact O-N 3.17Å
92S89.6Confident82.8Confident68 Ų6863.6 Ų63.648%0.47638%0.379SS..Hα-helixtrans-65.2-36.2174.955.40000112.6V88 A89 A90 S96V88-S92 PolarHBondContact O-N 3.4Å; A89-S92 WeakPolarHBondContact CA-OG 3.37Å; A89-S92 PolarHBondContact O-OG 2.85Å; A90-S92 PolarHBondContact O-N 2.97Å; S92-S96 VanDerWaalsContact O-CB 3.26Å; S92-S96 WeakPolarHBondContact O-CB 3.48Å; S92-S96 PolarHBondContact O-N 3.08Å
93I92.7Very high83.6Confident8 Ų866.5 Ų66.54%0.04139%0.393CS..Hα-helixtrans-66.4-47.3176-71.5167.5000110.3N42 V45 S46 L49 L78 A89 A90 Q91 R95 S96 A97N42-I93 HydrophobicContact CB-CD1 3.67Å; V45-I93 HydrophobicContact CB-CD1 4.44Å; V45-I93 HydrophobicContact CG1-CD1 4.47Å; V45-I93 HydrophobicContact CG1-CG2 3.83Å; S46-I93 WeakPolarHBondContact OG-CG1 3.27Å; L49-I93 HydrophobicContact CD1-CG2 3.85Å; L78-I93 HydrophobicContact CB-CG2 4.48Å; L78-I93 HydrophobicContact CD1-CG2 4.3Å; L78-I93 HydrophobicContact CD2-CG2 4.18Å; A89-I93 WeakPolarHBondContact O-CD1 3.36Å; A89-I93 VanDerWaalsContact O-CG1 3.3Å; A89-I93 WeakPolarHBondContact O-CG1 3.48Å; A89-I93 PolarHBondContact O-N 3.14Å; A90-I93 WeakPolarHBondContact O-CB 3.26Å; A90-I93 PolarHBondContact O-N 2.78Å; Q91-I93 VanDerWaalsContact C-N 3.32Å; Q91-I93 PolarHBondContact O-N 3.44Å; I93-R95 PolarHBondContact O-N 3.5Å; I93-S96 WeakPolarHBondContact O-CB 3.42Å; I93-S96 PolarHBondContact O-N 3.35Å; I93-A97 WeakPolarHBondContact O-CB 3.36Å; I93-A97 PolarHBondContact O-N 3.3Å
94S92.3Very high84.7Confident7 Ų758.2 Ų58.25%0.04936%0.355CS..Hα-helixtrans-57.5-50177.1-171.80000112I79 T82 A90 Q91 S96 A97 E98I79-S94 WeakPolarHBondContact CA-OG 3.38Å; T82-S94 VanDerWaalsContact OG1-CB 3.3Å; T82-S94 WeakPolarHBondContact OG1-CB 3.17Å; A90-S94 PolarHBondContact O-N 3.21Å; Q91-S94 PolarHBondContact O-N 3.06Å; S94-S96 VanDerWaalsContact C-N 3.29Å; S94-S96 PolarHBondContact O-N 3.37Å; S94-A97 PolarHBondContact O-N 3.08Å; S94-A97 VanDerWaalsContact O-N 3.16Å; S94-E98 WeakPolarHBondContact O-CG 3.43Å; S94-E98 PolarHBondContact O-N 3.31Å; S94-E98 PolarHBondContact OG-OE1 3.38Å
95R92.7Very high85.7Confident174 Ų17457.2 Ų57.266%0.65734%0.34SS*.Hα-helixtrans-58.7-43176.5178.9179.8-83.4163.4-6.4111.3Q91 I93 A97 E98 E99Q91-R95 PolarHBondContact O-N 3.17Å; I93-R95 PolarHBondContact O-N 3.5Å; R95-A97 VanDerWaalsContact C-N 3.34Å; R95-A97 PolarHBondContact O-N 2.65Å; R95-E98 PolarHBondContact O-N 3.47Å; R95-E99 VanDerWaalsContact O-CG 3.31Å; R95-E99 WeakPolarHBondContact O-CG 3.33Å; R95-E99 PolarHBondContact O-N 2.93Å
96S93.8Very high85.9Confident22 Ų2257 Ų5715%0.15433%0.326CS..Hα-helixtrans-64.9-37.6178.3-169.90000112.4K53 S92 I93 S94 L100K53-S96 WeakPolarHBondContact CE-O 3.46Å; K53-S96 VanDerWaalsContact CE-OG 3.24Å; K53-S96 WeakPolarHBondContact CE-OG 3.42Å; K53-S96 PolarHBondContact NZ-OG 3.47Å; S92-S96 VanDerWaalsContact O-CB 3.26Å; S92-S96 WeakPolarHBondContact O-CB 3.48Å; S92-S96 PolarHBondContact O-N 3.08Å; I93-S96 WeakPolarHBondContact O-CB 3.42Å; I93-S96 PolarHBondContact O-N 3.35Å; S94-S96 VanDerWaalsContact C-N 3.29Å; S94-S96 PolarHBondContact O-N 3.37Å; S96-L100 PolarHBondContact O-N 3.29Å; S96-L100 VanDerWaalsContact O-N 3.09Å
97A95Very high85.7Confident0 Ų058.1 Ų58.10%033%0.33CS..Hα-helixtrans-69.3-41.9175.400000112.2L49 L75 L78 I79 I93 S94 R95 L100 L101L49-A97 HydrophobicContact CD1-CB 4.4Å; L49-A97 HydrophobicContact CD2-CB 4.34Å; L75-A97 HydrophobicContact CD2-CB 3.98Å; L78-A97 HydrophobicContact CB-CB 4.29Å; I79-A97 HydrophobicContact CD1-CB 4.4Å; I79-A97 HydrophobicContact CG1-CB 4.01Å; I93-A97 WeakPolarHBondContact O-CB 3.36Å; I93-A97 PolarHBondContact O-N 3.3Å; S94-A97 PolarHBondContact O-N 3.08Å; S94-A97 VanDerWaalsContact O-N 3.16Å; R95-A97 VanDerWaalsContact C-N 3.34Å; R95-A97 PolarHBondContact O-N 2.65Å; A97-L100 PolarHBondContact O-N 3.41Å; A97-L101 WeakPolarHBondContact O-CB 3.28Å; A97-L101 PolarHBondContact O-N 2.91Å
98E93.7Very high84.4Confident97 Ų9759.4 Ų59.445%0.45333%0.33SS..Hα-helixtrans-59.4-45.9173.2-77.7169.1-150.900111.7I79 S94 R95 L101 A102I79-E98 HydrophobicContact CD1-CB 4.36Å; I79-E98 HydrophobicContact CD1-CG 3.57Å; I79-E98 HydrophobicContact CG1-CG 3.76Å; I79-E98 HydrophobicContact CG2-CG 4.09Å; S94-E98 WeakPolarHBondContact O-CG 3.43Å; S94-E98 PolarHBondContact O-N 3.31Å; S94-E98 PolarHBondContact OG-OE1 3.38Å; R95-E98 PolarHBondContact O-N 3.47Å; E98-L101 PolarHBondContact O-N 2.75Å; E98-A102 VanDerWaalsContact O-CB 3.32Å; E98-A102 WeakPolarHBondContact O-CB 3.45Å; E98-A102 PolarHBondContact O-N 3.06Å
99E92.9Very high82.6Confident93 Ų9364 Ų6444%0.43533%0.334SS..Hα-helixtrans-59.7-47.1176.6-75.6169.9-170.700111.4K53 R95 A102 L103K53-E99 IonicContact NZ-OE2 2.68Å; K53-E99 PolarHBondContact NZ-OE2 3.49Å; R95-E99 VanDerWaalsContact O-CG 3.31Å; R95-E99 WeakPolarHBondContact O-CG 3.33Å; R95-E99 PolarHBondContact O-N 2.93Å; E99-A102 PolarHBondContact O-N 3.24Å; E99-L103 VanDerWaalsContact O-CG 3.29Å; E99-L103 WeakPolarHBondContact O-CG 3.44Å; E99-L103 PolarHBondContact O-N 3.31Å
100L93.4Very high80.9Confident0 Ų070.9 Ų70.90%036%0.36CS..Hα-helixtrans-63.4-43.4178.3-177.362.6000111.5L49 L52 K53 L75 S96 A97 A102 L103 L104L49-L100 HydrophobicContact CD2-CD2 4.03Å; L52-L100 HydrophobicContact CB-CD1 4.49Å; L52-L100 HydrophobicContact CB-CD2 3.64Å; L52-L100 HydrophobicContact CD1-CD2 4.05Å; K53-L100 HydrophobicContact CG-CB 4.37Å; K53-L100 HydrophobicContact CG-CD1 3.97Å; L75-L100 HydrophobicContact CD1-CD2 4.09Å; L75-L100 HydrophobicContact CD1-CG 4.2Å; L75-L100 HydrophobicContact CD2-CD2 4.04Å; S96-L100 PolarHBondContact O-N 3.29Å; S96-L100 VanDerWaalsContact O-N 3.09Å; A97-L100 PolarHBondContact O-N 3.41Å; L100-A102 VanDerWaalsContact C-N 3.33Å; L100-A102 PolarHBondContact O-N 2.75Å; L100-L103 PolarHBondContact O-N 3.2Å; L100-L104 HydrophobicContact CG-CD1 4.37Å; L100-L104 WeakPolarHBondContact O-CG 3.35Å; L100-L104 PolarHBondContact O-N 3.04Å
101L91.7Very high78.5Confident23 Ų2372 Ų7212%0.1237%0.373CS..Hα-helixtrans-62.6-40.5176.9-172.665.6000111.5N72 L75 I79 A97 E98 L104 N105N72-L101 VanDerWaalsContact OD1-CD1 3.22Å; N72-L101 WeakPolarHBondContact OD1-CD1 3.43Å; L75-L101 HydrophobicContact CD1-CB 4.32Å; L75-L101 HydrophobicContact CD1-CD1 4.31Å; I79-L101 HydrophobicContact CD1-CD2 4.09Å; A97-L101 WeakPolarHBondContact O-CB 3.28Å; A97-L101 PolarHBondContact O-N 2.91Å; E98-L101 PolarHBondContact O-N 2.75Å; L101-L104 PolarHBondContact O-N 3.44Å; L101-N105 WeakPolarHBondContact O-CB 3.39Å; L101-N105 VanDerWaalsContact O-CG 3.31Å; L101-N105 PolarHBondContact O-N 2.95Å; L101-N105 PolarHBondContact O-ND2 3.06Å; L101-N105 VanDerWaalsContact O-ND2 3.1Å
102A88.8Confident76.1Confident51 Ų5172.4 Ų72.442%0.42139%0.386SS..Hα-helixtrans-63.9-43175.400000111.6E98 E99 L100 N105 C106E98-A102 VanDerWaalsContact O-CB 3.32Å; E98-A102 WeakPolarHBondContact O-CB 3.45Å; E98-A102 PolarHBondContact O-N 3.06Å; E99-A102 PolarHBondContact O-N 3.24Å; L100-A102 VanDerWaalsContact C-N 3.33Å; L100-A102 PolarHBondContact O-N 2.75Å; A102-N105 PolarHBondContact O-N 2.6Å; A102-C106 WeakPolarHBondContact O-CB 3.23Å; A102-C106 PolarHBondContact O-N 3.32Å; A102-C106 PolarHBondContact O-SG 3.11Å
103L85.8Confident73.9Confident88 Ų8875.2 Ų75.246%0.46140%0.402SS..Hα-helixtrans-59.9-47.6176.6-72.5171.2000111.6E99 L100 N105 C106 S107E99-L103 VanDerWaalsContact O-CG 3.29Å; E99-L103 WeakPolarHBondContact O-CG 3.44Å; E99-L103 PolarHBondContact O-N 3.31Å; L100-L103 PolarHBondContact O-N 3.2Å; L103-N105 PolarHBondContact O-N 3.19Å; L103-C106 PolarHBondContact O-N 3.39Å; L103-S107 PolarHBondContact O-N 3.48Å
104L86.5Confident71.2Confident0 Ų085 Ų850%044%0.438CS..Hα-helixtrans-61.9-43.3178.6-66.4174.4000111.3N62 L65 Q66 L71 L75 L100 L101 S107N62-L104 HydrophobicContact CB-CD2 4.46Å; L65-L104 HydrophobicContact CB-CD2 3.72Å; L65-L104 HydrophobicContact CD1-CD2 4.08Å; Q66-L104 HydrophobicContact CG-CB 4.36Å; Q66-L104 HydrophobicContact CG-CD2 4.39Å; Q66-L104 PolarHBondContact NE2-O 3.15Å; L71-L104 HydrophobicContact CD2-CD1 3.84Å; L75-L104 HydrophobicContact CD1-CD1 4.35Å; L100-L104 HydrophobicContact CG-CD1 4.37Å; L100-L104 WeakPolarHBondContact O-CG 3.35Å; L100-L104 PolarHBondContact O-N 3.04Å; L101-L104 PolarHBondContact O-N 3.44Å; L104-S107 PolarHBondContact O-N 3.23Å
105N81Confident68.6Low96 Ų9690.9 Ų90.951%0.51348%0.477SS..Hα-helixtrans-72.1-32.3179.5-71.2-34000113.5L101 A102 L103 S107 N108L101-N105 WeakPolarHBondContact O-CB 3.39Å; L101-N105 VanDerWaalsContact O-CG 3.31Å; L101-N105 PolarHBondContact O-N 2.95Å; L101-N105 PolarHBondContact O-ND2 3.06Å; L101-N105 VanDerWaalsContact O-ND2 3.1Å; A102-N105 PolarHBondContact O-N 2.6Å; L103-N105 PolarHBondContact O-N 3.19Å; N105-S107 VanDerWaalsContact C-N 3.31Å; N105-S107 PolarHBondContact O-N 3.17Å; N105-N108 PolarHBondContact O-N 3.48Å
106C63.3Low66.3Low70 Ų7088.1 Ų88.147%0.47347%0.474SS..Hα-helixtrans-67.9-31.5177-71.20000112.5A102 L103 N108 R109A102-C106 WeakPolarHBondContact O-CB 3.23Å; A102-C106 PolarHBondContact O-N 3.32Å; A102-C106 PolarHBondContact O-SG 3.11Å; L103-C106 PolarHBondContact O-N 3.39Å; C106-N108 PolarHBondContact O-N 3.37Å; C106-N108 VanDerWaalsContact O-N 3.11Å; C106-R109 WeakPolarHBondContact O-CB 3.33Å; C106-R109 PolarHBondContact O-N 2.73Å
107S58.7Low63.8Low48 Ų4897.3 Ų97.334%0.33651%0.511SS..G310 helixtrans-59.1-23.9178.4-161.40000112.6L103 L104 N105 R109L103-S107 PolarHBondContact O-N 3.48Å; L104-S107 PolarHBondContact O-N 3.23Å; N105-S107 VanDerWaalsContact C-N 3.31Å; N105-S107 PolarHBondContact O-N 3.17Å; S107-R109 VanDerWaalsContact C-N 3.26Å; S107-R109 PolarHBondContact O-N 2.9Å
108N48.5Very low61.2Low111 Ų111102.4 Ų102.459%0.59454%0.542SS*.G310 helixtrans-80.74.6178.5-118.2-13.5000114.6N105 C106 Q110 G111N105-N108 PolarHBondContact O-N 3.48Å; C106-N108 PolarHBondContact O-N 3.37Å; C106-N108 VanDerWaalsContact O-N 3.11Å; N108-Q110 CarbonylContact O-C 3.46Å; N108-Q110 PolarHBondContact O-N 3.4Å; N108-Q110 VanDerWaalsContact O-N 3.17Å; N108-G111 PolarHBondContact O-N 3.43Å
109R43.7Very low58.8Low214 Ų214103.5 Ų103.581%0.80855%0.551SS**G310 helixtrans-78.316.2176.2-67.7-170.3177.8-169.21.7114.7C106 S107 G111C106-R109 WeakPolarHBondContact O-CB 3.33Å; C106-R109 PolarHBondContact O-N 2.73Å; S107-R109 VanDerWaalsContact C-N 3.26Å; S107-R109 PolarHBondContact O-N 2.9Å; R109-G111 PolarHBondContact O-N 3.46Å; R109-G111 VanDerWaalsContact O-N 3.14Å
110Q44Very low56.4Low186 Ų186104.7 Ų104.787%0.86957%0.567SS**SBendtrans-75.861.2141.9-59.5-1674.100107.6N108N108-Q110 CarbonylContact O-C 3.46Å; N108-Q110 PolarHBondContact O-N 3.4Å; N108-Q110 VanDerWaalsContact O-N 3.17Å
111G32.4Very low54.2Low44 Ų44111.4 Ų111.445%0.45460%0.598SS.*  75.6113.696.600000109.6N108 R109N108-G111 PolarHBondContact O-N 3.43Å; R109-G111 PolarHBondContact O-N 3.46Å; R109-G111 VanDerWaalsContact O-N 3.14Å
112P38.4Very low52Low121 Ų121119.3 Ų119.379%0.78663%0.632SS**SBendtrans-54.7141.2-178.321.9-31.1000110.3R114P112-R114 PolarHBondContact O-N 2.82Å
113P42.2Very low49.9Very low127 Ų127121.4 Ų121.483%0.82564%0.643SS**  trans-62102.3-163.223.3-31.9000110.1P115P113-P115 WeakPolarHBondContact O-CD 3.49Å
114R37.1Very low48.1Very low212 Ų212124.9 Ų124.980%0.866%0.657SS**  trans-65.1125.5158.4-77-175.3176.7-173.7-0.5105.9P112 I116P112-R114 PolarHBondContact O-N 2.82Å; R114-I116 HydrophobicContact CB-CD1 4.4Å; R114-I116 HydrophobicContact CB-CG1 4.26Å; R114-I116 PolarHBondContact O-N 2.82Å
115P37.1Very low46.5Very low132 Ų132136.2 Ų136.286%0.85770%0.7SS**  trans-74.470.8177.331.5-33.6000108.6P113P113-P115 WeakPolarHBondContact O-CD 3.49Å
116I45.1Very low45.5Very low115 Ų115137.2 Ų137.259%0.5971%0.709SS**  trans-95.1117.2166.9-61.3176.9000104.9R114 T118R114-I116 HydrophobicContact CB-CD1 4.4Å; R114-I116 HydrophobicContact CB-CG1 4.26Å; R114-I116 PolarHBondContact O-N 2.82Å; I116-T118 HydrophobicContact CG2-CG2 4.13Å; I116-T118 PolarHBondContact O-N 3.3Å
117K40.4Very low45.8Very low216 Ų216140.6 Ų140.694%0.93972%0.716SS**  trans-57.778.5172.3-74174.4171.8176.90109.9
118T41.4Very low46.8Very low107 Ų107147.8 Ų147.866%0.65674%0.736SS**  trans-138.999.9167.249.30000106.3I116 P120I116-T118 HydrophobicContact CG2-CG2 4.13Å; I116-T118 PolarHBondContact O-N 3.3Å; T118-P120 WeakPolarHBondContact O-CD 3.41Å; T118-P120 VanDerWaalsContact O-N 3.11Å
119N41.6Very low48.6Very low120 Ų120145.1 Ų145.164%0.64273%0.725SS**  trans-14.5101.8165.2-168.76.6000113.2E121N119-E121 WeakPolarHBondContact ND2-CG 3.32Å; N119-E121 PolarHBondContact ND2-OE1 3.39Å; N119-E121 PolarHBondContact O-N 3.06Å
120P44.4Very low50.6Low117 Ų117139.3 Ų139.376%0.7671%0.705SS**  trans-71.875.7166.429.8-31.1000107.7T118T118-P120 WeakPolarHBondContact O-CD 3.41Å; T118-P120 VanDerWaalsContact O-N 3.11Å
121E45.3Very low52.9Low142 Ų142135.5 Ų135.566%0.66469%0.691SS**THydrogen-bonded Turntrans-58.6135.1159.7-74.6-176.1161.600107.7N119N119-E121 WeakPolarHBondContact ND2-CG 3.32Å; N119-E121 PolarHBondContact ND2-OE1 3.39Å; N119-E121 PolarHBondContact O-N 3.06Å
122K45.7Very low55.8Low188 Ų188133.7 Ų133.782%0.81767%0.671SS**THydrogen-bonded Turntrans83.839.1174.7-44.9171.7-171.7177.50115.7H124K122-H124 PolarHBondContact O-N 3.49Å; K122-H124 VanDerWaalsContact O-N 3.08Å
123S45.4Very low58.4Low96 Ų96130.1 Ų130.167%0.67165%0.647SS**  trans-52.1117.5137.2171.80000106.2R125S123-R125 VanDerWaalsContact C-N 3.26Å; S123-R125 PolarHBondContact O-N 3.38Å
124H48.9Very low60.9Low160 Ų160124.1 Ų124.174%0.74161%0.608SS**  trans-49.3100.7169.6-68.5-85.3000106.3K122 T126K122-H124 PolarHBondContact O-N 3.49Å; K122-H124 VanDerWaalsContact O-N 3.08Å; H124-T126 PolarHBondContact O-N 2.97Å
125R53Low63.6Low239 Ų239116.1 Ų116.190%0.90258%0.58SS**  trans-67.187.7178.2-69.6-174.8-179.4-173.31.2104.2S123 F127S123-R125 VanDerWaalsContact C-N 3.26Å; S123-R125 PolarHBondContact O-N 3.38Å; R125-F127 PolarHBondContact O-N 3.29Å
126T59.9Low66.3Low116 Ų116110 Ų11071%0.71254%0.539SS*.  trans-50.1117.7173.850.10000105.1H124 R128H124-T126 PolarHBondContact O-N 2.97Å; T126-R128 PolarHBondContact O-N 3.2Å
127F68.6Low68.5Low141 Ų141111.3 Ų111.362%0.61854%0.537SS*.  trans-63.490.2177.7176.9-95.5000107.1R125 V159 V175R125-F127 PolarHBondContact O-N 3.29Å; F127-V159 HydrophobicContact CZ-CG2 4.41Å; F127-V175 HydrophobicContact CE2-CB 4.39Å; F127-V175 HydrophobicContact CE2-CG1 3.79Å; F127-V175 HydrophobicContact CZ-CG1 4.11Å
128R80.2Confident70.7Confident200 Ų200102 Ų10276%0.75550%0.503SS*.  trans-110.5103.8177.7-173.9176.9-177.2-177.32.8107T126 P176T126-R128 PolarHBondContact O-N 3.2Å; R128-P176 VanDerWaalsContact O-CG 3.31Å; R128-P176 WeakPolarHBondContact O-CG 3.5Å
129P86Confident72.8Confident55 Ų5597.5 Ų97.536%0.35748%0.475SS..PPolyproline II helixtrans-57.3146.4178.623.7-32.3000110.6T174P129-T174 CarbonylContact C-O 3.55Å; P129-T174 WeakPolarHBondContact CA-O 3.44Å; P129-T174 WeakPolarHBondContact CB-O 3.39Å
130K86.8Confident74.9Confident91 Ų9195.8 Ų95.840%0.39647%0.468SS..EExtended strand (participates in β ladder)trans-98.4132178.3178.3-176.7175.4-173.20108.4V132 C173 T174K130-V132 HydrophobicContact CG-CG2 4.44Å; K130-C173 CarbonylContact O-C 3.56Å; K130-T174 PolarHBondContact N-O 2.93Å; K130-T174 PolarHBondContact O-N 3.06Å; K130-T174 PolarHBondContact O-OG1 2.76Å
131N92.3Very high76.9Confident106 Ų10692.5 Ų92.557%0.56745%0.445SS*.EExtended strand (participates in β ladder)trans-90.6125.2173.7-68-33.7000110.1C173N131-C173 PolarHBondContact OD1-SG 2.88Å
132V91.8Very high78.8Confident7 Ų791.3 Ų91.34%0.04244%0.439CS..EExtended strand (participates in β ladder)trans-114.4120.6173-174.30000108K130 L134 V172 T174 P180 L183 I214K130-V132 HydrophobicContact CG-CG2 4.44Å; V132-L134 HydrophobicContact CG1-CD2 3.8Å; V132-L134 HydrophobicContact CG1-CG 4.44Å; V132-V172 PolarHBondContact N-O 3.47Å; V132-V172 PolarHBondContact O-N 2.95Å; V132-T174 HydrophobicContact CG2-CG2 4.33Å; V132-P180 HydrophobicContact CG1-CB 3.97Å; V132-P180 HydrophobicContact CG2-CB 4.13Å; V132-L183 HydrophobicContact CB-CD1 3.91Å; V132-L183 HydrophobicContact CG1-CD1 3.92Å; V132-L183 HydrophobicContact CG2-CD1 4.2Å; V132-I214 HydrophobicContact CG1-CG1 4.2Å
133V94.1Very high80.8Confident46 Ų4687 Ų8728%0.27943%0.425SS..EExtended strand (participates in β ladder)trans-99.8121.4177.7-176.20000108.3I171 V215V133-I171 HydrophobicContact CG2-CG1 4.34Å; V133-I171 HydrophobicContact CG2-CG2 4.48Å; V133-V215 HydrophobicContact CB-CB 4.22Å; V133-V215 HydrophobicContact CG1-CB 4.09Å; V133-V215 HydrophobicContact CG1-CG2 4.1Å; V133-V215 PolarHBondContact O-N 3.38Å
134L94.1Very high82.9Confident0 Ų082.6 Ų82.60%039%0.394CS..EExtended strand (participates in β ladder)trans-109.1130.6176-48.4174.3000109.3V132 L136 R169 V170 V172 L183 I184 A212 Q213 I214V132-L134 HydrophobicContact CG1-CD2 3.8Å; V132-L134 HydrophobicContact CG1-CG 4.44Å; L134-L136 HydrophobicContact CB-CD2 4.46Å; L134-R169 WeakPolarHBondContact O-CA 3.28Å; L134-V170 HydrophobicContact CB-CG1 3.65Å; L134-V170 HydrophobicContact CD1-CG1 3.92Å; L134-V170 HydrophobicContact CG-CG1 4.12Å; L134-V170 PolarHBondContact N-O 2.81Å; L134-V170 PolarHBondContact O-N 3.2Å; L134-V172 HydrophobicContact CD1-CG2 4.36Å; L134-L183 HydrophobicContact CD1-CB 3.92Å; L134-I184 HydrophobicContact CD2-CG1 4.35Å; L134-A212 HydrophobicContact CB-CB 4.38Å; L134-A212 HydrophobicContact CD1-CB 4.44Å; L134-Q213 CarbonylContact C-O 3.55Å; L134-Q213 WeakPolarHBondContact CA-O 3.12Å; L134-I214 HydrophobicContact CD2-CB 4.38Å; L134-I214 HydrophobicContact CD2-CG1 3.52Å
135Q94.5Very high84.9Confident44 Ų4475.7 Ų75.721%0.20636%0.362CS..EExtended strand (participates in β ladder)trans-86.3121.7165.4-174.868.450.200107.8K167 H168 R169 A212 Q213 V215Q135-K167 PolarHBondContact NE2-O 2.84Å; Q135-H168 PolarHBondContact NE2-O 2.95Å; Q135-R169 VanDerWaalsContact OE1-CG 3.25Å; Q135-A212 CarbonylContact O-C 3.58Å; Q135-A212 WeakPolarHBondContact O-CA 3.27Å; Q135-Q213 PolarHBondContact N-O 2.83Å; Q135-Q213 PolarHBondContact O-N 3.44Å; Q135-V215 HydrophobicContact CB-CG2 3.75Å
136L92.8Very high86.7Confident3 Ų371 Ų712%0.01635%0.35CS..EExtended strand (participates in β ladder)trans-94.8146.4178.9-54.3173.2000109.4L134 I139 F163 H168 V170 V187 T211 A212L134-L136 HydrophobicContact CB-CD2 4.46Å; L136-I139 HydrophobicContact CB-CD1 3.44Å; L136-I139 VanDerWaalsContact CB-CD1 3.44Å; L136-I139 HydrophobicContact CB-CG1 4.07Å; L136-I139 HydrophobicContact CD1-CD1 3.24Å; L136-I139 HydrophobicContact CG-CD1 3.87Å; L136-F163 HydrophobicContact CD1-CD1 4.08Å; L136-F163 HydrophobicContact CD1-CE1 3.85Å; L136-H168 WeakPolarHBondContact CA-O 3.19Å; L136-H168 WeakPolarHBondContact CB-O 3.42Å; L136-H168 PolarHBondContact N-O 3.24Å; L136-H168 WeakPolarHBondContact O-CB 3.49Å; L136-V170 HydrophobicContact CD1-CB 3.92Å; L136-V170 HydrophobicContact CD1-CG1 3.77Å; L136-V170 HydrophobicContact CD2-CG1 3.91Å; L136-V170 HydrophobicContact CG-CG1 4.01Å; L136-V187 HydrophobicContact CD2-CG1 4.07Å; L136-V187 HydrophobicContact CD2-CG2 4.44Å; L136-T211 CarbonylContact C-O 3.46Å; L136-T211 WeakPolarHBondContact CA-O 3.43Å; L136-A212 HydrophobicContact CD2-CB 3.93Å
137R90.8Very high88.1Confident144 Ų14468.9 Ų68.954%0.54333%0.334SS..EExtended strand (participates in β ladder)trans-133.4149171.9-61.7-176.7-176.2-158.41.6108.7I139 I210 T211R137-I139 VanDerWaalsContact C-N 3.34Å; R137-I210 WeakPolarHBondContact O-CA 3.4Å; R137-T211 PolarHBondContact N-O 3.47Å; R137-T211 PolarHBondContact O-N 2.91Å
138G87.6Confident89.3Confident21 Ų2162.2 Ų62.222%0.21631%0.305CS..SBendtrans82.78-179.500000114.8
139I85.8Confident89.9Confident12 Ų1253.1 Ų53.16%0.06227%0.272CS..  trans-83.9122.7173.1-58.6-171.5000108.4L136 R137 D144 I145 F165 H168 I210L136-I139 HydrophobicContact CB-CD1 3.44Å; L136-I139 VanDerWaalsContact CB-CD1 3.44Å; L136-I139 HydrophobicContact CB-CG1 4.07Å; L136-I139 HydrophobicContact CD1-CD1 3.24Å; L136-I139 HydrophobicContact CG-CD1 3.87Å; R137-I139 VanDerWaalsContact C-N 3.34Å; I139-D144 HydrophobicContact CB-CB 4.46Å; I139-D144 HydrophobicContact CG2-CB 3.83Å; I139-I145 HydrophobicContact CG2-CG1 4.08Å; I139-F165 HydrophobicContact CG2-CD2 4.18Å; I139-F165 HydrophobicContact CG2-CE2 3.79Å; I139-H168 PolarHBondContact O-CE1 2.79Å; I139-I210 HydrophobicContact CD1-CG2 4.44Å; I139-I210 HydrophobicContact CG1-CG2 3.97Å
140T84.4Confident90.1Very high84 Ų8452.7 Ų52.752%0.51527%0.273SS..  trans-112.7-40.2-17554.20000112.4D144 P208T140-D144 PolarHBondContact N-OD2 3.43Å; T140-D144 PolarHBondContact OG1-OD2 3.19Å; T140-P208 HydrophobicContact CG2-CG 4.28Å
141D86.5Confident90.4Very high48 Ų4851 Ų5126%0.25727%0.266SS..SBendtrans-128.8177.6-174.756.318.9000111.8D143 D144 R207D141-D143 VanDerWaalsContact C-N 3.33Å; D141-D144 PolarHBondContact N-OD2 3.21Å; D141-D144 VanDerWaalsContact OD1-CB 3.29Å; D141-D144 WeakPolarHBondContact OD1-CB 3.33Å; D141-D144 PolarHBondContact OD1-N 3.18Å; D141-D144 VanDerWaalsContact OD1-OD2 3.08Å; D141-R207 IonicContact OD1-NH2 3.17Å; D141-R207 PolarHBondContact OD1-NH2 3.48Å; D141-R207 IonicContact OD2-CZ 3.38Å; D141-R207 IonicContact OD2-NH2 2.81Å; D141-R207 PolarHBondContact OD2-NH2 3.16Å
142E86.7Confident90.5Very high116 Ų11646 Ų4654%0.54224%0.239SC..Hα-helixtrans-73.1-27.7176-171.7151.1-134.700112D144 I145 E146 K289E142-D144 VanDerWaalsContact C-N 3.33Å; E142-D144 PolarHBondContact O-N 3.42Å; E142-I145 HydrophobicContact CG-CD1 4.4Å; E142-I145 WeakPolarHBondContact O-CA 3.31Å; E142-I145 VanDerWaalsContact O-CB 3.23Å; E142-I145 WeakPolarHBondContact O-CB 3.33Å; E142-I145 PolarHBondContact O-N 3.45Å; E142-E146 PolarHBondContact O-N 3.4Å; E142-E146 VanDerWaalsContact O-N 3.11Å; E142-K289 WeakPolarHBondContact OE1-CE 3.35Å; E142-K289 IonicContact OE1-NZ 3.82Å; E142-K289 PolarHBondContact OE1-NZ 3.44Å
143D87.8Confident90.6Very high97 Ų9749.1 Ų49.152%0.51926%0.255SS..Hα-helixtrans-62.2-40.6175.6-59.8-25.4000111.4D141 I145 E146 I147D141-D143 VanDerWaalsContact C-N 3.33Å; D143-I145 PolarHBondContact O-N 3.45Å; D143-E146 PolarHBondContact O-N 3.14Å; D143-I147 VanDerWaalsContact O-CG1 3.3Å; D143-I147 WeakPolarHBondContact O-CG1 3.39Å; D143-I147 PolarHBondContact O-N 3.36Å
144D88.6Confident90.4Very high4 Ų454.9 Ų54.92%0.02128%0.276CS..Hα-helixtrans-57.3-38.5172.8-72.7-29.7000111.2I139 T140 D141 E142 V148 R207 I210I139-D144 HydrophobicContact CB-CB 4.46Å; I139-D144 HydrophobicContact CG2-CB 3.83Å; T140-D144 PolarHBondContact N-OD2 3.43Å; T140-D144 PolarHBondContact OG1-OD2 3.19Å; D141-D144 PolarHBondContact N-OD2 3.21Å; D141-D144 VanDerWaalsContact OD1-CB 3.29Å; D141-D144 WeakPolarHBondContact OD1-CB 3.33Å; D141-D144 PolarHBondContact OD1-N 3.18Å; D141-D144 VanDerWaalsContact OD1-OD2 3.08Å; E142-D144 VanDerWaalsContact C-N 3.33Å; E142-D144 PolarHBondContact O-N 3.42Å; D144-V148 VanDerWaalsContact O-CG2 3.24Å; D144-V148 WeakPolarHBondContact O-CG2 3.49Å; D144-V148 PolarHBondContact O-N 2.89Å; D144-R207 IonicContact OD1-CZ 3.54Å; D144-R207 IonicContact OD1-NE 3.3Å; D144-R207 PolarHBondContact OD1-NE 3.34Å; D144-R207 IonicContact OD1-NH2 2.73Å; D144-R207 PolarHBondContact OD1-NH2 2.84Å; D144-R207 IonicContact OD2-NH2 3.71Å; D144-I210 HydrophobicContact CB-CD1 3.88Å
145I90.1Very high90.3Very high15 Ų1556.1 Ų56.18%0.07728%0.283CS..Hα-helixtrans-65-46177.7-54.9174.2000110.1I139 E142 D143 I147 V148 C149 F163 F165I139-I145 HydrophobicContact CG2-CG1 4.08Å; E142-I145 HydrophobicContact CG-CD1 4.4Å; E142-I145 WeakPolarHBondContact O-CA 3.31Å; E142-I145 VanDerWaalsContact O-CB 3.23Å; E142-I145 WeakPolarHBondContact O-CB 3.33Å; E142-I145 PolarHBondContact O-N 3.45Å; D143-I145 PolarHBondContact O-N 3.45Å; I145-I147 VanDerWaalsContact C-N 3.33Å; I145-I147 PolarHBondContact O-N 3.28Å; I145-V148 PolarHBondContact O-N 3.13Å; I145-C149 VanDerWaalsContact O-CB 3.29Å; I145-C149 WeakPolarHBondContact O-CB 3.46Å; I145-C149 PolarHBondContact O-N 3.09Å; I145-F163 HydrophobicContact CG2-CB 3.96Å; I145-F163 HydrophobicContact CG2-CD1 3.57Å; I145-F163 HydrophobicContact CG2-CD2 3.58Å; I145-F163 HydrophobicContact CG2-CE1 3.83Å; I145-F163 HydrophobicContact CG2-CE2 3.85Å; I145-F163 HydrophobicContact CG2-CG 3.42Å; I145-F163 VanDerWaalsContact CG2-CG 3.42Å; I145-F163 HydrophobicContact CG2-CZ 3.96Å; I145-F165 HydrophobicContact CD1-CB 3.95Å; I145-F165 HydrophobicContact CD1-CD2 3.24Å; I145-F165 HydrophobicContact CD1-CE2 3.88Å; I145-F165 HydrophobicContact CD1-CG 3.82Å; I145-F165 HydrophobicContact CG1-CD2 3.88Å; I145-F165 HydrophobicContact CG1-CE2 4.26Å
146E90.7Very high90.1Very high140 Ų14065.4 Ų65.465%0.65432%0.316SS*.Hα-helixtrans-62.1-42.6-179.9-170.6175.6-169.900111.1E142 D143 V148 C149 A150E142-E146 PolarHBondContact O-N 3.4Å; E142-E146 VanDerWaalsContact O-N 3.11Å; D143-E146 PolarHBondContact O-N 3.14Å; E146-V148 PolarHBondContact O-N 2.88Å; E146-C149 WeakPolarHBondContact O-CB 3.46Å; E146-C149 PolarHBondContact O-N 2.88Å; E146-A150 WeakPolarHBondContact O-CB 3.31Å; E146-A150 PolarHBondContact O-N 3.35Å
147I90.9Very high90Very high73 Ų7366.1 Ų66.137%0.37432%0.324SS..Hα-helixtrans-61.8-45.2176.1-64.8164.9000111.1D143 I145 C149 A150 K151 V190D143-I147 VanDerWaalsContact O-CG1 3.3Å; D143-I147 WeakPolarHBondContact O-CG1 3.39Å; D143-I147 PolarHBondContact O-N 3.36Å; I145-I147 VanDerWaalsContact C-N 3.33Å; I145-I147 PolarHBondContact O-N 3.28Å; I147-C149 VanDerWaalsContact C-N 3.35Å; I147-A150 PolarHBondContact O-N 2.95Å; I147-K151 WeakPolarHBondContact O-CG 3.37Å; I147-K151 PolarHBondContact O-N 3.04Å; I147-K151 VanDerWaalsContact O-N 3.13Å; I147-V190 HydrophobicContact CG2-CB 4.42Å; I147-V190 HydrophobicContact CG2-CG1 3.5Å; I147-V190 HydrophobicContact CG2-CG2 4.03Å
148V92.6Very high90.1Very high0 Ų060.5 Ų60.50%031%0.305CS..Hα-helixtrans-63.7-42.7176.7173.50000110.7D144 I145 E146 K151 L152 F163 V187 V190 I210D144-V148 VanDerWaalsContact O-CG2 3.24Å; D144-V148 WeakPolarHBondContact O-CG2 3.49Å; D144-V148 PolarHBondContact O-N 2.89Å; I145-V148 PolarHBondContact O-N 3.13Å; E146-V148 PolarHBondContact O-N 2.88Å; V148-K151 PolarHBondContact O-N 3.21Å; V148-L152 HydrophobicContact CG1-CD1 3.96Å; V148-L152 HydrophobicContact CG1-CG 4.34Å; V148-L152 WeakPolarHBondContact O-CG 3.33Å; V148-L152 PolarHBondContact O-N 3.33Å; V148-F163 HydrophobicContact CB-CE1 4.32Å; V148-F163 HydrophobicContact CB-CZ 4.22Å; V148-F163 HydrophobicContact CG1-CE1 3.89Å; V148-F163 HydrophobicContact CG1-CZ 3.87Å; V148-V187 HydrophobicContact CG1-CG1 4.43Å; V148-V187 HydrophobicContact CG1-CG2 3.98Å; V148-V187 HydrophobicContact CG2-CG1 4.39Å; V148-V190 HydrophobicContact CG2-CG2 4.31Å; V148-I210 HydrophobicContact CG2-CD1 4.05Å; V148-I210 HydrophobicContact CG2-CG2 3.97Å
149C92.2Very high90.2Very high9 Ų961.8 Ų61.86%0.06131%0.309CS..Hα-helixtrans-57.8-51.7176.2-168.70000110.8I145 E146 I147 K151 L152 L153 F163I145-C149 VanDerWaalsContact O-CB 3.29Å; I145-C149 WeakPolarHBondContact O-CB 3.46Å; I145-C149 PolarHBondContact O-N 3.09Å; E146-C149 WeakPolarHBondContact O-CB 3.46Å; E146-C149 PolarHBondContact O-N 2.88Å; I147-C149 VanDerWaalsContact C-N 3.35Å; C149-K151 PolarHBondContact O-N 3.45Å; C149-K151 VanDerWaalsContact O-N 3.16Å; C149-L152 PolarHBondContact O-N 3.35Å; C149-L152 VanDerWaalsContact O-N 3.14Å; C149-L153 WeakPolarHBondContact O-CB 3.38Å; C149-L153 WeakPolarHBondContact O-CG 3.49Å; C149-L153 PolarHBondContact O-N 3.49Å; C149-F163 HydrophobicContact CB-CE2 3.68Å; C149-F163 HydrophobicContact CB-CZ 4.04Å
150A91.7Very high90.6Very high46 Ų4661.9 Ų61.938%0.3831%0.31SS..Hα-helixtrans-59.3-28.7178.600000113.2E146 I147 K154E146-A150 WeakPolarHBondContact O-CB 3.31Å; E146-A150 PolarHBondContact O-N 3.35Å; I147-A150 PolarHBondContact O-N 2.95Å; A150-K154 WeakPolarHBondContact O-CG 3.37Å
151K92.5Very high91.1Very high57 Ų5757.9 Ų57.925%0.24829%0.286CS..Hα-helixtrans-78.1-44.6174.7-72.1-74.2-172.7150.40112.6I147 V148 C149 L153 K154 S189 V190I147-K151 WeakPolarHBondContact O-CG 3.37Å; I147-K151 PolarHBondContact O-N 3.04Å; I147-K151 VanDerWaalsContact O-N 3.13Å; V148-K151 PolarHBondContact O-N 3.21Å; C149-K151 PolarHBondContact O-N 3.45Å; C149-K151 VanDerWaalsContact O-N 3.16Å; K151-L153 VanDerWaalsContact C-N 3.29Å; K151-L153 PolarHBondContact O-N 3.25Å; K151-K154 PolarHBondContact O-N 3.1Å; K151-S189 PolarHBondContact NZ-O 3.41Å; K151-S189 PolarHBondContact NZ-OG 3.13Å; K151-V190 HydrophobicContact CG-CG2 3.9Å
152L95.1Very high91.4Very high0 Ų056.5 Ų56.50%028%0.279CS..Hα-helixtrans-64.1-36.8178.2-71.1175000111.4V148 C149 K154 I155 I161 F163 V170 V172 L183 V187V148-L152 HydrophobicContact CG1-CD1 3.96Å; V148-L152 HydrophobicContact CG1-CG 4.34Å; V148-L152 WeakPolarHBondContact O-CG 3.33Å; V148-L152 PolarHBondContact O-N 3.33Å; C149-L152 PolarHBondContact O-N 3.35Å; C149-L152 VanDerWaalsContact O-N 3.14Å; L152-K154 PolarHBondContact O-N 3.03Å; L152-I155 HydrophobicContact CD2-CD1 4.26Å; L152-I155 WeakPolarHBondContact O-CB 3.47Å; L152-I155 PolarHBondContact O-N 3.27Å; L152-I161 HydrophobicContact CB-CD1 3.55Å; L152-I161 HydrophobicContact CB-CG1 4.48Å; L152-I161 HydrophobicContact CD1-CD1 4.39Å; L152-I161 HydrophobicContact CD1-CG2 4.17Å; L152-F163 HydrophobicContact CD1-CZ 4.32Å; L152-V170 HydrophobicContact CD1-CG1 4.49Å; L152-V170 HydrophobicContact CD1-CG2 4.19Å; L152-V172 HydrophobicContact CD1-CG2 4.11Å; L152-L183 HydrophobicContact CD2-CB 4.17Å; L152-L183 HydrophobicContact CD2-CD2 4.11Å; L152-V187 HydrophobicContact CD2-CG2 4.05Å; L152-V187 HydrophobicContact CG-CG2 4.44Å
153L92.2Very high91.7Very high72 Ų7251.7 Ų51.738%0.37726%0.257SS..THydrogen-bonded Turntrans-61.1-26.8176.4-79.1172000114.6C149 K151 I155 I161 W293C149-L153 WeakPolarHBondContact O-CB 3.38Å; C149-L153 WeakPolarHBondContact O-CG 3.49Å; C149-L153 PolarHBondContact O-N 3.49Å; K151-L153 VanDerWaalsContact C-N 3.29Å; K151-L153 PolarHBondContact O-N 3.25Å; L153-I155 PolarHBondContact O-N 2.94Å; L153-I161 HydrophobicContact CD2-CD1 4.02Å; L153-I161 HydrophobicContact CG-CD1 3.92Å; L153-W293 HydrophobicContact CD1-CH2 3.55Å; L153-W293 HydrophobicContact CD1-CZ2 3.57Å; L153-W293 HydrophobicContact CD1-CZ3 4.3Å; L153-W293 HydrophobicContact CD2-CD2 3.9Å; L153-W293 HydrophobicContact CD2-CG 4.32Å; L153-W293 HydrophobicContact CD2-CH2 4.04Å; L153-W293 HydrophobicContact CD2-CZ2 3.24Å; L153-W293 HydrophobicContact CG-CH2 4.25Å; L153-W293 HydrophobicContact CG-CZ2 3.74Å
154K91.1Very high91.8Very high167 Ų16749.5 Ų49.573%0.72624%0.243SC*.THydrogen-bonded Turntrans-73.3-13.1177.4-69173.3-176.5-176.40112.6A150 K151 L152 R156A150-K154 WeakPolarHBondContact O-CG 3.37Å; K151-K154 PolarHBondContact O-N 3.1Å; L152-K154 PolarHBondContact O-N 3.03Å; K154-R156 PolarHBondContact O-N 3.02Å
155I92.3Very high91.6Very high27 Ų2752 Ų5214%0.13825%0.254CS..SBendtrans-83.6115.1-179.4-58.4172.2000109.6L152 L153 G157 V158 L178 L183 A186L152-I155 HydrophobicContact CD2-CD1 4.26Å; L152-I155 WeakPolarHBondContact O-CB 3.47Å; L152-I155 PolarHBondContact O-N 3.27Å; L153-I155 PolarHBondContact O-N 2.94Å; I155-G157 PolarHBondContact O-N 3.46Å; I155-V158 HydrophobicContact CB-CG2 3.91Å; I155-V158 HydrophobicContact CG2-CG2 4.17Å; I155-V158 PolarHBondContact O-N 3.04Å; I155-L178 HydrophobicContact CG2-CD1 3.85Å; I155-L178 HydrophobicContact CG2-CD2 3.87Å; I155-L183 HydrophobicContact CD1-CD2 3.67Å; I155-A186 HydrophobicContact CD1-CB 3.58Å; I155-A186 HydrophobicContact CG1-CB 4.21Å
156R89.5Confident91.5Very high239 Ų23959.5 Ų59.590%0.90229%0.289SS*.THydrogen-bonded Turntrans-60.9124.5173.8-167178.573.8179.42.8110.5K154K154-R156 PolarHBondContact O-N 3.02Å
157G90.1Very high91.4Very high18 Ų1858.6 Ų58.619%0.18628%0.283CS..THydrogen-bonded Turntrans102.4-1.4179.700000114.2I155 T174 V175I155-G157 PolarHBondContact O-N 3.46Å; G157-T174 CarbonylContact O-C 3.48Å; G157-T174 VanDerWaalsContact O-CA 3.24Å; G157-T174 WeakPolarHBondContact O-CA 3.42Å; G157-V175 PolarHBondContact O-N 3.08Å
158V93Very high91.3Very high26 Ų2658.7 Ų58.716%0.15828%0.281CS..EExtended strand (participates in β ladder)trans-70.7130.4159.4174.30000108.3I155 I161 V172 L178 L183I155-V158 HydrophobicContact CB-CG2 3.91Å; I155-V158 HydrophobicContact CG2-CG2 4.17Å; I155-V158 PolarHBondContact O-N 3.04Å; V158-I161 HydrophobicContact CG1-CD1 4.01Å; V158-I161 HydrophobicContact CG1-CG1 3.66Å; V158-V172 HydrophobicContact CB-CG1 4.41Å; V158-V172 HydrophobicContact CG1-CG1 3.76Å; V158-V172 HydrophobicContact CG2-CG1 3.94Å; V158-L178 HydrophobicContact CG2-CD2 4.2Å; V158-L183 HydrophobicContact CG2-CD2 3.78Å
159V91.2Very high91.3Very high47 Ų4763.2 Ų63.229%0.28530%0.298SS..EExtended strand (participates in β ladder)trans-103.4-46.4-178.3-179.30000110F127 C173 V175F127-V159 HydrophobicContact CZ-CG2 4.41Å; V159-C173 HydrophobicContact CB-CB 4.14Å; V159-C173 WeakPolarHBondContact CB-O 3.3Å; V159-C173 PolarHBondContact N-O 3.44Å; V159-V175 HydrophobicContact CG2-CG1 4.22Å
160S94Very high91.3Very high14 Ų1462.8 Ų62.810%0.09830%0.296CS..EExtended strand (participates in β ladder)trans-152.4159.4175760000111.5V172 C173S160-V172 WeakPolarHBondContact O-CA 3.41Å; S160-C173 PolarHBondContact N-O 3.04Å; S160-C173 PolarHBondContact O-N 3.25Å; S160-C173 WeakPolarHBondContact OG-CB 3.22Å; S160-C173 PolarHBondContact OG-SG 3.35Å
161I94.8Very high91.5Very high1 Ų162.7 Ų62.71%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-133.8125.6-178.2-53.1169.2000108.2L152 L153 V158 F163 V170 L291 W293L152-I161 HydrophobicContact CB-CD1 3.55Å; L152-I161 HydrophobicContact CB-CG1 4.48Å; L152-I161 HydrophobicContact CD1-CD1 4.39Å; L152-I161 HydrophobicContact CD1-CG2 4.17Å; L153-I161 HydrophobicContact CD2-CD1 4.02Å; L153-I161 HydrophobicContact CG-CD1 3.92Å; V158-I161 HydrophobicContact CG1-CD1 4.01Å; V158-I161 HydrophobicContact CG1-CG1 3.66Å; I161-F163 HydrophobicContact CG2-CD2 3.88Å; I161-F163 HydrophobicContact CG2-CE2 3.36Å; I161-F163 HydrophobicContact CG2-CZ 3.91Å; I161-V170 HydrophobicContact CG2-CG2 3.41Å; I161-V170 VanDerWaalsContact CG2-CG2 3.41Å; I161-L291 PolarHBondContact O-N 3.35Å; I161-W293 HydrophobicContact CD1-CZ2 4.45Å
162T92.9Very high91.6Very high18 Ų1860 Ų6011%0.1128%0.276CS..EExtended strand (participates in β ladder)trans-123.4120.8175.2-60.80000109.6V170 I171 S290T162-V170 WeakPolarHBondContact O-CA 3.49Å; T162-I171 PolarHBondContact N-O 3.35Å; T162-I171 PolarHBondContact O-N 3.36Å; T162-S290 VanDerWaalsContact CG2-OG 3.26Å; T162-S290 WeakPolarHBondContact CG2-OG 3.41Å; T162-S290 PolarHBondContact OG1-OG 3.19Å
163F91.8Very high91.5Very high16 Ų1661.1 Ų61.17%0.0728%0.284CS..EExtended strand (participates in β ladder)trans-95.5134.3176.3-73.1-88.2000111.8L136 I145 V148 C149 L152 I161 V170L136-F163 HydrophobicContact CD1-CD1 4.08Å; L136-F163 HydrophobicContact CD1-CE1 3.85Å; I145-F163 HydrophobicContact CG2-CB 3.96Å; I145-F163 HydrophobicContact CG2-CD1 3.57Å; I145-F163 HydrophobicContact CG2-CD2 3.58Å; I145-F163 HydrophobicContact CG2-CE1 3.83Å; I145-F163 HydrophobicContact CG2-CE2 3.85Å; I145-F163 HydrophobicContact CG2-CG 3.42Å; I145-F163 VanDerWaalsContact CG2-CG 3.42Å; I145-F163 HydrophobicContact CG2-CZ 3.96Å; V148-F163 HydrophobicContact CB-CE1 4.32Å; V148-F163 HydrophobicContact CB-CZ 4.22Å; V148-F163 HydrophobicContact CG1-CE1 3.89Å; V148-F163 HydrophobicContact CG1-CZ 3.87Å; C149-F163 HydrophobicContact CB-CE2 3.68Å; C149-F163 HydrophobicContact CB-CZ 4.04Å; L152-F163 HydrophobicContact CD1-CZ 4.32Å; I161-F163 HydrophobicContact CG2-CD2 3.88Å; I161-F163 HydrophobicContact CG2-CE2 3.36Å; I161-F163 HydrophobicContact CG2-CZ 3.91Å; F163-V170 HydrophobicContact CD1-CB 3.72Å; F163-V170 HydrophobicContact CD1-CG2 3.8Å; F163-V170 HydrophobicContact CD2-CG2 4.31Å; F163-V170 HydrophobicContact CE1-CB 3.71Å; F163-V170 HydrophobicContact CE1-CG1 4.43Å; F163-V170 HydrophobicContact CE1-CG2 3.64Å; F163-V170 HydrophobicContact CE2-CG2 4.16Å; F163-V170 HydrophobicContact CG-CB 4.44Å; F163-V170 HydrophobicContact CG-CG2 4.15Å; F163-V170 HydrophobicContact CZ-CB 4.4Å; F163-V170 HydrophobicContact CZ-CG2 3.84Å
164Q90.3Very high91.5Very high50 Ų5057.7 Ų57.723%0.23427%0.266CS..EExtended strand (participates in β ladder)trans-112.983.4168.3-65.2-175.2-18.100107.8Q166 K167 H168 R169Q164-Q166 VanDerWaalsContact C-N 3.34Å; Q164-Q166 PolarHBondContact O-N 2.7Å; Q164-K167 HydrophobicContact CB-CB 4.22Å; Q164-K167 CarbonylContact O-C 3.59Å; Q164-K167 PolarHBondContact O-N 3.44Å; Q164-H168 PolarHBondContact O-N 3.11Å; Q164-R169 HydrophobicContact CB-CB 4.22Å; Q164-R169 PolarHBondContact N-O 2.93Å; Q164-R169 PolarHBondContact O-N 2.62Å
165F85.9Confident91.4Very high58 Ų5851.2 Ų51.225%0.25424%0.241SC..G310 helixtrans-54.8-47.7-175.4-177.1-116.2000112.3I139 I145 K167 H168I139-F165 HydrophobicContact CG2-CD2 4.18Å; I139-F165 HydrophobicContact CG2-CE2 3.79Å; I145-F165 HydrophobicContact CD1-CB 3.95Å; I145-F165 HydrophobicContact CD1-CD2 3.24Å; I145-F165 HydrophobicContact CD1-CE2 3.88Å; I145-F165 HydrophobicContact CD1-CG 3.82Å; I145-F165 HydrophobicContact CG1-CD2 3.88Å; I145-F165 HydrophobicContact CG1-CE2 4.26Å; F165-K167 PolarHBondContact O-N 3.24Å; F165-K167 VanDerWaalsContact O-N 3.09Å; F165-H168 WeakPolarHBondContact O-CA 3.29Å; F165-H168 PolarHBondContact O-N 3.45Å
166Q87.1Confident91Very high171 Ų17153.4 Ų53.480%0.79926%0.256SS*.G310 helixtrans-60-24.8179.6-59.2-59.8-14.100114Q164Q164-Q166 VanDerWaalsContact C-N 3.34Å; Q164-Q166 PolarHBondContact O-N 2.7Å
167K87.7Confident90.8Very high122 Ų12247.2 Ų47.253%0.5325%0.25SC..G310 helixtrans-101.1-0.2177.6-64.3-178.9-179.6172.80112.2Q135 Q164 F165 R169Q135-K167 PolarHBondContact NE2-O 2.84Å; Q164-K167 HydrophobicContact CB-CB 4.22Å; Q164-K167 CarbonylContact O-C 3.59Å; Q164-K167 PolarHBondContact O-N 3.44Å; F165-K167 PolarHBondContact O-N 3.24Å; F165-K167 VanDerWaalsContact O-N 3.09Å; K167-R169 HydrophobicContact CB-CB 4.29Å; K167-R169 HydrophobicContact CB-CG 4.16Å; K167-R169 WeakPolarHBondContact O-CG 3.32Å; K167-R169 PolarHBondContact O-N 3.38Å
168H89.6Confident90.7Very high75 Ų7547.5 Ų47.535%0.34725%0.247SC..THydrogen-bonded Turntrans44.948.3-166.9-59.2-86.5000111.7Q135 L136 I139 Q164 F165Q135-H168 PolarHBondContact NE2-O 2.95Å; L136-H168 WeakPolarHBondContact CA-O 3.19Å; L136-H168 WeakPolarHBondContact CB-O 3.42Å; L136-H168 PolarHBondContact N-O 3.24Å; L136-H168 WeakPolarHBondContact O-CB 3.49Å; I139-H168 PolarHBondContact O-CE1 2.79Å; Q164-H168 PolarHBondContact O-N 3.11Å; F165-H168 WeakPolarHBondContact O-CA 3.29Å; F165-H168 PolarHBondContact O-N 3.45Å
169R92.7Very high90.5Very high95 Ų9550.5 Ų50.536%0.35826%0.262SS..EExtended strand (participates in β ladder)trans-122.8148.4-177.5-77.6172.5-170.1-176.75.4111L134 Q135 Q164 K167L134-R169 WeakPolarHBondContact O-CA 3.28Å; Q135-R169 VanDerWaalsContact OE1-CG 3.25Å; Q164-R169 HydrophobicContact CB-CB 4.22Å; Q164-R169 PolarHBondContact N-O 2.93Å; Q164-R169 PolarHBondContact O-N 2.62Å; K167-R169 HydrophobicContact CB-CB 4.29Å; K167-R169 HydrophobicContact CB-CG 4.16Å; K167-R169 WeakPolarHBondContact O-CG 3.32Å; K167-R169 PolarHBondContact O-N 3.38Å
170V93.2Very high90.5Very high0 Ų049.4 Ų49.40%026%0.256CS..EExtended strand (participates in β ladder)trans-126.9136.2165.762.30000109.8L134 L136 L152 I161 T162 F163 V172L134-V170 HydrophobicContact CB-CG1 3.65Å; L134-V170 HydrophobicContact CD1-CG1 3.92Å; L134-V170 HydrophobicContact CG-CG1 4.12Å; L134-V170 PolarHBondContact N-O 2.81Å; L134-V170 PolarHBondContact O-N 3.2Å; L136-V170 HydrophobicContact CD1-CB 3.92Å; L136-V170 HydrophobicContact CD1-CG1 3.77Å; L136-V170 HydrophobicContact CD2-CG1 3.91Å; L136-V170 HydrophobicContact CG-CG1 4.01Å; L152-V170 HydrophobicContact CD1-CG1 4.49Å; L152-V170 HydrophobicContact CD1-CG2 4.19Å; I161-V170 HydrophobicContact CG2-CG2 3.41Å; I161-V170 VanDerWaalsContact CG2-CG2 3.41Å; T162-V170 WeakPolarHBondContact O-CA 3.49Å; F163-V170 HydrophobicContact CD1-CB 3.72Å; F163-V170 HydrophobicContact CD1-CG2 3.8Å; F163-V170 HydrophobicContact CD2-CG2 4.31Å; F163-V170 HydrophobicContact CE1-CB 3.71Å; F163-V170 HydrophobicContact CE1-CG1 4.43Å; F163-V170 HydrophobicContact CE1-CG2 3.64Å; F163-V170 HydrophobicContact CE2-CG2 4.16Å; F163-V170 HydrophobicContact CG-CB 4.44Å; F163-V170 HydrophobicContact CG-CG2 4.15Å; F163-V170 HydrophobicContact CZ-CB 4.4Å; F163-V170 HydrophobicContact CZ-CG2 3.84Å; V170-V172 HydrophobicContact CG1-CG2 4.4Å; V170-V172 HydrophobicContact CG2-CG2 3.97Å
171I94Very high90.3Very high43 Ų4353.7 Ų53.722%0.22127%0.274CS..EExtended strand (participates in β ladder)trans-108118.1175.1-54.4170.8000106V133 T162V133-I171 HydrophobicContact CG2-CG1 4.34Å; V133-I171 HydrophobicContact CG2-CG2 4.48Å; T162-I171 PolarHBondContact N-O 3.35Å; T162-I171 PolarHBondContact O-N 3.36Å
172V94.4Very high90.2Very high0 Ų056.5 Ų56.50%029%0.294CS..EExtended strand (participates in β ladder)trans-112.7117.7-179.3-170.50000108.4V132 L134 L152 V158 S160 V170 T174 L183V132-V172 PolarHBondContact N-O 3.47Å; V132-V172 PolarHBondContact O-N 2.95Å; L134-V172 HydrophobicContact CD1-CG2 4.36Å; L152-V172 HydrophobicContact CD1-CG2 4.11Å; V158-V172 HydrophobicContact CB-CG1 4.41Å; V158-V172 HydrophobicContact CG1-CG1 3.76Å; V158-V172 HydrophobicContact CG2-CG1 3.94Å; S160-V172 WeakPolarHBondContact O-CA 3.41Å; V170-V172 HydrophobicContact CG1-CG2 4.4Å; V170-V172 HydrophobicContact CG2-CG2 3.97Å; V172-T174 HydrophobicContact CB-CG2 4.43Å; V172-T174 HydrophobicContact CG1-CG2 3.78Å; V172-L183 HydrophobicContact CB-CD1 4.1Å; V172-L183 HydrophobicContact CG1-CD1 4.17Å; V172-L183 HydrophobicContact CG1-CD2 4.14Å; V172-L183 HydrophobicContact CG2-CD1 4.41Å
173C93.8Very high90.2Very high24 Ų2455.7 Ų55.716%0.16229%0.289CS..EExtended strand (participates in β ladder)trans-81.7125.7168.9-62.60000107.9K130 N131 V159 S160K130-C173 CarbonylContact O-C 3.56Å; N131-C173 PolarHBondContact OD1-SG 2.88Å; V159-C173 HydrophobicContact CB-CB 4.14Å; V159-C173 WeakPolarHBondContact CB-O 3.3Å; V159-C173 PolarHBondContact N-O 3.44Å; S160-C173 PolarHBondContact N-O 3.04Å; S160-C173 PolarHBondContact O-N 3.25Å; S160-C173 WeakPolarHBondContact OG-CB 3.22Å; S160-C173 PolarHBondContact OG-SG 3.35Å
174T91.8Very high90.3Very high1 Ų156.3 Ų56.31%0.00629%0.293CS..EExtended strand (participates in β ladder)trans-126.9158.4-177.974.30000111.6P129 K130 V132 G157 V172 L178 L183P129-T174 CarbonylContact C-O 3.55Å; P129-T174 WeakPolarHBondContact CA-O 3.44Å; P129-T174 WeakPolarHBondContact CB-O 3.39Å; K130-T174 PolarHBondContact N-O 2.93Å; K130-T174 PolarHBondContact O-N 3.06Å; K130-T174 PolarHBondContact O-OG1 2.76Å; V132-T174 HydrophobicContact CG2-CG2 4.33Å; G157-T174 CarbonylContact O-C 3.48Å; G157-T174 VanDerWaalsContact O-CA 3.24Å; G157-T174 WeakPolarHBondContact O-CA 3.42Å; V172-T174 HydrophobicContact CB-CG2 4.43Å; V172-T174 HydrophobicContact CG1-CG2 3.78Å; T174-L178 HydrophobicContact CG2-CD2 3.72Å; T174-L183 HydrophobicContact CG2-CD1 4.07Å
175V89.7Confident90.3Very high31 Ų3160.7 Ų60.719%0.18831%0.312CS..  trans-59147.9162.7-57.80000109.7F127 G157 V159 S177 L178F127-V175 HydrophobicContact CE2-CB 4.39Å; F127-V175 HydrophobicContact CE2-CG1 3.79Å; F127-V175 HydrophobicContact CZ-CG1 4.11Å; G157-V175 PolarHBondContact O-N 3.08Å; V159-V175 HydrophobicContact CG2-CG1 4.22Å; V175-S177 PolarHBondContact O-N 3.01Å; V175-S177 VanDerWaalsContact O-N 3.12Å; V175-L178 HydrophobicContact CG2-CB 3.93Å; V175-L178 PolarHBondContact O-N 2.87Å
176P84.7Confident90.5Very high72 Ų7258.5 Ų58.547%0.46831%0.305SS..THydrogen-bonded Turntrans-57.3-29.5-176.6-26.632.4000115R128R128-P176 VanDerWaalsContact O-CG 3.31Å; R128-P176 WeakPolarHBondContact O-CG 3.5Å
177S85.3Confident90.7Very high110 Ų11050.3 Ų50.377%0.76927%0.267SS*.THydrogen-bonded Turntrans-84.3-7.4-175.551.70000114.2V175V175-S177 PolarHBondContact O-N 3.01Å; V175-S177 VanDerWaalsContact O-N 3.12Å
178L87.9Confident90.8Very high24 Ų2447.1 Ų47.113%0.12626%0.26CS..  trans-76.2128.5-180-174.464.5000110.5I155 V158 T174 V175 P180 L183I155-L178 HydrophobicContact CG2-CD1 3.85Å; I155-L178 HydrophobicContact CG2-CD2 3.87Å; V158-L178 HydrophobicContact CG2-CD2 4.2Å; T174-L178 HydrophobicContact CG2-CD2 3.72Å; V175-L178 HydrophobicContact CG2-CB 3.93Å; V175-L178 PolarHBondContact O-N 2.87Å; L178-P180 WeakPolarHBondContact O-CD 3.17Å; L178-L183 HydrophobicContact CD2-CD2 4.08Å
179D88.8Confident90.6Very high88 Ų8845.6 Ų45.647%0.47126%0.258SS..  trans-71.4121172.1-174.12.7000109.9E181 C182D179-E181 PolarHBondContact O-N 3.31Å; D179-E181 PolarHBondContact OD1-N 3.43Å; D179-C182 WeakPolarHBondContact O-CB 3.44Å; D179-C182 PolarHBondContact O-N 3.22Å
180P89.8Confident90.2Very high25 Ų2541.4 Ų41.416%0.16224%0.242CC..THydrogen-bonded Turntrans-62.9-21.1179.928.3-39.3000113.9V132 L178 C182 L183 I214V132-P180 HydrophobicContact CG1-CB 3.97Å; V132-P180 HydrophobicContact CG2-CB 4.13Å; L178-P180 WeakPolarHBondContact O-CD 3.17Å; P180-C182 VanDerWaalsContact C-N 3.25Å; P180-C182 PolarHBondContact O-N 3.5Å; P180-L183 WeakPolarHBondContact O-CB 3.29Å; P180-L183 PolarHBondContact O-N 2.94Å; P180-L183 VanDerWaalsContact O-N 3.12Å; P180-I214 HydrophobicContact CB-CD1 3.71Å; P180-I214 HydrophobicContact CB-CG1 4.5Å; P180-I214 HydrophobicContact CG-CD1 4.1Å
181E90.5Very high89Confident103 Ų10349.3 Ų49.348%0.48128%0.277SS..Hα-helixtrans-64.7-30.1176.7-64.1-59.8149.700112.2D179 L183 I184 H185D179-E181 PolarHBondContact O-N 3.31Å; D179-E181 PolarHBondContact OD1-N 3.43Å; E181-L183 PolarHBondContact O-N 3.05Å; E181-I184 PolarHBondContact O-N 2.76Å; E181-I184 VanDerWaalsContact O-N 3.15Å; E181-H185 PolarHBondContact O-N 2.96Å
182C92.3Very high87.3Confident61 Ų6150.5 Ų50.541%0.41228%0.284SS..Hα-helixtrans-58.7-34.8173.1-66.70000112.2D179 P180 A186D179-C182 WeakPolarHBondContact O-CB 3.44Å; D179-C182 PolarHBondContact O-N 3.22Å; P180-C182 VanDerWaalsContact C-N 3.25Å; P180-C182 PolarHBondContact O-N 3.5Å; C182-A186 PolarHBondContact O-N 3.04Å; C182-A186 VanDerWaalsContact O-N 3.07Å
183L94Very high85.1Confident0 Ų057 Ų570%032%0.318CS..Hα-helixtrans-67.7-45.6177-53174.6000110.5V132 L134 L152 I155 V158 V172 T174 L178 P180 E181 H185 A186 V187V132-L183 HydrophobicContact CB-CD1 3.91Å; V132-L183 HydrophobicContact CG1-CD1 3.92Å; V132-L183 HydrophobicContact CG2-CD1 4.2Å; L134-L183 HydrophobicContact CD1-CB 3.92Å; L152-L183 HydrophobicContact CD2-CB 4.17Å; L152-L183 HydrophobicContact CD2-CD2 4.11Å; I155-L183 HydrophobicContact CD1-CD2 3.67Å; V158-L183 HydrophobicContact CG2-CD2 3.78Å; V172-L183 HydrophobicContact CB-CD1 4.1Å; V172-L183 HydrophobicContact CG1-CD1 4.17Å; V172-L183 HydrophobicContact CG1-CD2 4.14Å; V172-L183 HydrophobicContact CG2-CD1 4.41Å; T174-L183 HydrophobicContact CG2-CD1 4.07Å; L178-L183 HydrophobicContact CD2-CD2 4.08Å; P180-L183 WeakPolarHBondContact O-CB 3.29Å; P180-L183 PolarHBondContact O-N 2.94Å; P180-L183 VanDerWaalsContact O-N 3.12Å; E181-L183 PolarHBondContact O-N 3.05Å; L183-H185 VanDerWaalsContact C-N 3.32Å; L183-H185 PolarHBondContact O-N 2.58Å; L183-A186 PolarHBondContact O-N 3.29Å; L183-V187 WeakPolarHBondContact O-CG2 3.43Å; L183-V187 PolarHBondContact O-N 3.33Å; L183-V187 VanDerWaalsContact O-N 3.12Å
184I92.7Very high82.8Confident30 Ų3060.3 Ų60.315%0.15434%0.342CS..Hα-helixtrans-59.2-46.1177.4-61-173.6000110.4L134 E181 A186 V187 S188 I214L134-I184 HydrophobicContact CD2-CG1 4.35Å; E181-I184 PolarHBondContact O-N 2.76Å; E181-I184 VanDerWaalsContact O-N 3.15Å; I184-A186 VanDerWaalsContact C-N 3.33Å; I184-A186 PolarHBondContact O-N 2.84Å; I184-V187 PolarHBondContact O-N 3.14Å; I184-S188 WeakPolarHBondContact O-CB 3.38Å; I184-S188 PolarHBondContact O-N 3.37Å; I184-S188 PolarHBondContact O-OG 3.29Å; I184-I214 HydrophobicContact CD1-CD1 3.64Å; I184-I214 HydrophobicContact CD1-CG1 3.76Å; I184-I214 HydrophobicContact CG1-CD1 4.16Å; I184-I214 HydrophobicContact CG1-CG1 4.09Å
185H90.3Very high80.4Confident141 Ų14163.3 Ų63.365%0.65337%0.373SS*.Hα-helixtrans-62.4-40.7-179.7-174-87.5000111.7E181 L183 S188 S189E181-H185 PolarHBondContact O-N 2.96Å; L183-H185 VanDerWaalsContact C-N 3.32Å; L183-H185 PolarHBondContact O-N 2.58Å; H185-S188 PolarHBondContact O-N 3.41Å; H185-S189 WeakPolarHBondContact O-CB 3.48Å; H185-S189 PolarHBondContact O-N 3.18Å
186A90.7Very high78.1Confident12 Ų1271.2 Ų71.210%0.09941%0.408CS..Hα-helixtrans-65.1-40.7177.600000113.1I155 C182 L183 I184 S189I155-A186 HydrophobicContact CD1-CB 3.58Å; I155-A186 HydrophobicContact CG1-CB 4.21Å; C182-A186 PolarHBondContact O-N 3.04Å; C182-A186 VanDerWaalsContact O-N 3.07Å; L183-A186 PolarHBondContact O-N 3.29Å; I184-A186 VanDerWaalsContact C-N 3.33Å; I184-A186 PolarHBondContact O-N 2.84Å; A186-S189 PolarHBondContact O-N 3.36Å; A186-S189 PolarHBondContact O-OG 3.03Å
187V91.8Very high76.1Confident0 Ų072.9 Ų72.90%042%0.421CS..Hα-helixtrans-63.8-45.5174179.70000110.6L136 V148 L152 L183 I184 S189 V190 I210 A212L136-V187 HydrophobicContact CD2-CG1 4.07Å; L136-V187 HydrophobicContact CD2-CG2 4.44Å; V148-V187 HydrophobicContact CG1-CG1 4.43Å; V148-V187 HydrophobicContact CG1-CG2 3.98Å; V148-V187 HydrophobicContact CG2-CG1 4.39Å; L152-V187 HydrophobicContact CD2-CG2 4.05Å; L152-V187 HydrophobicContact CG-CG2 4.44Å; L183-V187 WeakPolarHBondContact O-CG2 3.43Å; L183-V187 PolarHBondContact O-N 3.33Å; L183-V187 VanDerWaalsContact O-N 3.12Å; I184-V187 PolarHBondContact O-N 3.14Å; V187-S189 PolarHBondContact O-N 3.33Å; V187-V190 VanDerWaalsContact O-CB 3.31Å; V187-V190 WeakPolarHBondContact O-CB 3.47Å; V187-V190 WeakPolarHBondContact O-CG2 3.49Å; V187-V190 PolarHBondContact O-N 2.99Å; V187-V190 VanDerWaalsContact O-N 3.11Å; V187-I210 HydrophobicContact CG1-CG2 3.69Å; V187-A212 HydrophobicContact CB-CB 3.81Å; V187-A212 HydrophobicContact CG1-CB 3.85Å; V187-A212 HydrophobicContact CG2-CB 4Å
188S88Confident74Confident54 Ų5475.5 Ų75.538%0.37843%0.427SS..Hα-helixtrans-67.7-20.3179.6-49.90000112.6I184 H185 V190I184-S188 WeakPolarHBondContact O-CB 3.38Å; I184-S188 PolarHBondContact O-N 3.37Å; I184-S188 PolarHBondContact O-OG 3.29Å; H185-S188 PolarHBondContact O-N 3.41Å; S188-V190 PolarHBondContact O-N 3.23Å
189S85.8Confident71.8Confident43 Ų4381.6 Ų81.630%0.30146%0.459SS..THydrogen-bonded Turntrans-78.5-0.517584.50000114.1K151 H185 A186 V187 K191K151-S189 PolarHBondContact NZ-O 3.41Å; K151-S189 PolarHBondContact NZ-OG 3.13Å; H185-S189 WeakPolarHBondContact O-CB 3.48Å; H185-S189 PolarHBondContact O-N 3.18Å; A186-S189 PolarHBondContact O-N 3.36Å; A186-S189 PolarHBondContact O-OG 3.03Å; V187-S189 PolarHBondContact O-N 3.33Å; S189-K191 PolarHBondContact O-N 3.31Å
190V84.3Confident69.2Low7 Ų783.4 Ų83.44%0.04247%0.474CS..  trans-67.488.7171.1178.40000107.3I147 V148 K151 V187 S188 I210I147-V190 HydrophobicContact CG2-CB 4.42Å; I147-V190 HydrophobicContact CG2-CG1 3.5Å; I147-V190 HydrophobicContact CG2-CG2 4.03Å; V148-V190 HydrophobicContact CG2-CG2 4.31Å; K151-V190 HydrophobicContact CG-CG2 3.9Å; V187-V190 VanDerWaalsContact O-CB 3.31Å; V187-V190 WeakPolarHBondContact O-CB 3.47Å; V187-V190 WeakPolarHBondContact O-CG2 3.49Å; V187-V190 PolarHBondContact O-N 2.99Å; V187-V190 VanDerWaalsContact O-N 3.11Å; S188-V190 PolarHBondContact O-N 3.23Å; V190-I210 HydrophobicContact CG1-CD1 4.09Å
191K68.2Low66.8Low166 Ų16688 Ų8872%0.72251%0.505SS*.  trans-66.8134.9161.5-73-175.8175.2-176.90106.9S189 N193S189-K191 PolarHBondContact O-N 3.31Å; K191-N193 PolarHBondContact O-N 2.85Å
192N58Low64.3Low69 Ų6991.9 Ų91.937%0.36952%0.523SS..  trans-60.781.6172.4-60.6-10.6000108.5S194 R207N192-S194 PolarHBondContact O-N 3.31Å; N192-R207 PolarHBondContact ND2-O 2.86Å
193N49.1Very low62Low135 Ų13595 Ų9572%0.72254%0.54SS*.  trans-80.737.5178.1-75-20.8000110.7K191 G195K191-N193 PolarHBondContact O-N 2.85Å; N193-G195 PolarHBondContact O-N 3.35Å
194S46.1Very low59.6Low94 Ų94102 Ų10266%0.65758%0.578SS**  trans-73.578.1160.456.60000107.1N192N192-S194 PolarHBondContact O-N 3.31Å
195G40Very low57.8Low64 Ų64108.1 Ų108.166%0.6661%0.61SS**  trans-164.646.3-170.500000112.7N193N193-G195 PolarHBondContact O-N 3.35Å
196Q42.6Very low56.3Low198 Ų198107.3 Ų107.393%0.92562%0.616SS**  trans-142.156.8157.4-91-16586.500109.4
197S42.7Very low54.7Low107 Ų107110.9 Ų110.975%0.74863%0.626SS**  trans-129.8107.5153.356.10000106.2D199S197-D199 VanDerWaalsContact C-N 3.28Å; S197-D199 PolarHBondContact O-N 3.45Å
198N39.5Very low53.5Low165 Ų165113.7 Ų113.788%0.88265%0.645SS**  trans-61.488173.7-59.6-34.1000108.6
199D41.9Very low53.3Low151 Ų151115.4 Ų115.481%0.80765%0.653SS**  trans-163.1149149.6-125.6-27000113S197 C201S197-D199 VanDerWaalsContact C-N 3.28Å; S197-D199 PolarHBondContact O-N 3.45Å; D199-C201 PolarHBondContact O-N 2.89Å
200T35.1Very low53.4Low127 Ų127113.5 Ų113.578%0.77964%0.639SS**  trans-62.6108.6-175.3-59.50000111
201C39.7Very low53.7Low121 Ų121115.7 Ų115.782%0.81865%0.653SS**  trans-154.5101.8155.1-89.10000109.7D199 T203D199-C201 PolarHBondContact O-N 2.89Å; C201-T203 PolarHBondContact O-N 2.98Å
202Q38.4Very low54.8Low184 Ų184108.1 Ų108.186%0.8662%0.622SS**  trans-60.1125.2151.7-66.6172.216.200107.5
203T43.9Very low56.5Low126 Ų126109.7 Ų109.777%0.77363%0.627SS**  trans173.1122.3136.539.20000109.3C201C201-T203 PolarHBondContact O-N 2.98Å
204D42.7Very low58.5Low149 Ų149105.3 Ų105.380%0.79760%0.603SS**  trans-12.7122.9158.1-65.3-54.7000116.6
205L54.5Low60.4Low157 Ų157103.8 Ų103.882%0.82259%0.589SS**  trans-162.179142.2-96.4135.4000107.8R207L205-R207 VanDerWaalsContact C-N 3.27Å; L205-R207 PolarHBondContact O-N 3.39Å
206T58.9Low62.1Low125 Ų125109.3 Ų109.377%0.76760%0.595SS**  31.151.3126.755.40000117.3P208T206-P208 VanDerWaalsContact O-CD 3.26Å; T206-P208 WeakPolarHBondContact O-CD 3.34Å
207R58.4Low63Low86 Ų86107.9 Ų107.933%0.32559%0.586SS.*  trans-70.3113.8166.6-160.8176.3-177.2141.43.5106.3D141 D144 N192 L205 T209D141-R207 IonicContact OD1-NH2 3.17Å; D141-R207 PolarHBondContact OD1-NH2 3.48Å; D141-R207 IonicContact OD2-CZ 3.38Å; D141-R207 IonicContact OD2-NH2 2.81Å; D141-R207 PolarHBondContact OD2-NH2 3.16Å; D144-R207 IonicContact OD1-CZ 3.54Å; D144-R207 IonicContact OD1-NE 3.3Å; D144-R207 PolarHBondContact OD1-NE 3.34Å; D144-R207 IonicContact OD1-NH2 2.73Å; D144-R207 PolarHBondContact OD1-NH2 2.84Å; D144-R207 IonicContact OD2-NH2 3.71Å; N192-R207 PolarHBondContact ND2-O 2.86Å; L205-R207 VanDerWaalsContact C-N 3.27Å; L205-R207 PolarHBondContact O-N 3.39Å; R207-T209 PolarHBondContact O-N 3.2Å
208P66.4Low63.5Low60 Ų60112.2 Ų112.239%0.3959%0.591SS.*PPolyproline II helixtrans-60130.8-172.624-32.8000109.4T140 T206 I210T140-P208 HydrophobicContact CG2-CG 4.28Å; T206-P208 VanDerWaalsContact O-CD 3.26Å; T206-P208 WeakPolarHBondContact O-CD 3.34Å; P208-I210 PolarHBondContact O-N 3.09Å
209T82.5Confident63.7Low90 Ų90113.1 Ų113.155%0.55259%0.59SS**PPolyproline II helixtrans-57.8124175.9-54.60000109.5R207 T211R207-T209 PolarHBondContact O-N 3.2Å; T209-T211 PolarHBondContact O-N 3.49Å
210I88.7Confident63.8Low2 Ų2116.5 Ų116.51%0.0159%0.591CS.*PPolyproline II helixtrans-67.8123.6178.4-54.9178.7000108.5R137 I139 D144 V148 V187 V190 P208R137-I210 WeakPolarHBondContact O-CA 3.4Å; I139-I210 HydrophobicContact CD1-CG2 4.44Å; I139-I210 HydrophobicContact CG1-CG2 3.97Å; D144-I210 HydrophobicContact CB-CD1 3.88Å; V148-I210 HydrophobicContact CG2-CD1 4.05Å; V148-I210 HydrophobicContact CG2-CG2 3.97Å; V187-I210 HydrophobicContact CG1-CG2 3.69Å; V190-I210 HydrophobicContact CG1-CD1 4.09Å; P208-I210 PolarHBondContact O-N 3.09Å
211T90.1Very high64.1Low54 Ų54114.5 Ų114.533%0.33159%0.588SS.*EExtended strand (participates in β ladder)trans-127.3150.6178.854.50000110.7L136 R137 T209L136-T211 CarbonylContact C-O 3.46Å; L136-T211 WeakPolarHBondContact CA-O 3.43Å; R137-T211 PolarHBondContact N-O 3.47Å; R137-T211 PolarHBondContact O-N 2.91Å; T209-T211 PolarHBondContact O-N 3.49Å
212A92.7Very high64.2Low7 Ų7117.4 Ų117.46%0.05859%0.589CS.*EExtended strand (participates in β ladder)trans-121.7144.9178.500000111.1L134 Q135 L136 V187L134-A212 HydrophobicContact CB-CB 4.38Å; L134-A212 HydrophobicContact CD1-CB 4.44Å; Q135-A212 CarbonylContact O-C 3.58Å; Q135-A212 WeakPolarHBondContact O-CA 3.27Å; L136-A212 HydrophobicContact CD2-CB 3.93Å; V187-A212 HydrophobicContact CB-CB 3.81Å; V187-A212 HydrophobicContact CG1-CB 3.85Å; V187-A212 HydrophobicContact CG2-CB 4Å
213Q93.1Very high64.3Low102 Ų102113.3 Ų113.348%0.47758%0.581SS.*EExtended strand (participates in β ladder)trans-132.2133.9171.1-67.8-177.5-23.700109.8L134 Q135 V215L134-Q213 CarbonylContact C-O 3.55Å; L134-Q213 WeakPolarHBondContact CA-O 3.12Å; Q135-Q213 PolarHBondContact N-O 2.83Å; Q135-Q213 PolarHBondContact O-N 3.44Å; Q213-V215 PolarHBondContact O-N 2.95Å
214I91.1Very high64.1Low43 Ų43114.7 Ų114.722%0.22158%0.582CS.*EExtended strand (participates in β ladder)trans-69.1122.1175.3-67.8155.3000109.6V132 L134 P180 I184 K216V132-I214 HydrophobicContact CG1-CG1 4.2Å; L134-I214 HydrophobicContact CD2-CB 4.38Å; L134-I214 HydrophobicContact CD2-CG1 3.52Å; P180-I214 HydrophobicContact CB-CD1 3.71Å; P180-I214 HydrophobicContact CB-CG1 4.5Å; P180-I214 HydrophobicContact CG-CD1 4.1Å; I184-I214 HydrophobicContact CD1-CD1 3.64Å; I184-I214 HydrophobicContact CD1-CG1 3.76Å; I184-I214 HydrophobicContact CG1-CD1 4.16Å; I184-I214 HydrophobicContact CG1-CG1 4.09Å; I214-K216 HydrophobicContact CG2-CG 4.25Å; I214-K216 PolarHBondContact O-N 3.03Å; I214-K216 VanDerWaalsContact O-N 3.08Å
215V86.4Confident63.7Low62 Ų62112.7 Ų112.738%0.37658%0.579SS.*  trans-76.997.2171.8-175.70000108.2V133 Q135 Q213 K217V133-V215 HydrophobicContact CB-CB 4.22Å; V133-V215 HydrophobicContact CG1-CB 4.09Å; V133-V215 HydrophobicContact CG1-CG2 4.1Å; V133-V215 PolarHBondContact O-N 3.38Å; Q135-V215 HydrophobicContact CB-CG2 3.75Å; Q213-V215 PolarHBondContact O-N 2.95Å; V215-K217 PolarHBondContact O-N 3.35Å
216K74.6Confident63Low180 Ų180116.3 Ų116.378%0.78358%0.582SS**  trans-74.4116.1171.6-65.8-178.6-177.5176.10108.6I214 K218I214-K216 HydrophobicContact CG2-CG 4.25Å; I214-K216 PolarHBondContact O-N 3.03Å; I214-K216 VanDerWaalsContact O-N 3.08Å; K216-K218 PolarHBondContact O-N 3.4Å; K216-K218 VanDerWaalsContact O-N 3.07Å
217K62.5Low61.9Low168 Ų168118.2 Ų118.273%0.7358%0.581SS**  trans-61113.1165.9-173.1175.2179.2179.10106.8V215 H219V215-K217 PolarHBondContact O-N 3.35Å; K217-H219 PolarHBondContact O-N 3.13Å; K217-H219 VanDerWaalsContact O-N 3.15Å
218K52.2Low61.1Low198 Ų198119.3 Ų119.386%0.86160%0.602SS**  trans-51127162.8-86.7-174.3175.7178.50105.8K216 R220K216-K218 PolarHBondContact O-N 3.4Å; K216-K218 VanDerWaalsContact O-N 3.07Å; K218-R220 PolarHBondContact O-N 3.35Å
219H45.1Very low59.7Low184 Ų184121.4 Ų121.485%0.85262%0.619SS**  trans-56.784.6174.2-78.7-91.5000108.6K217 A221K217-H219 PolarHBondContact O-N 3.13Å; K217-H219 VanDerWaalsContact O-N 3.15Å; H219-A221 VanDerWaalsContact C-N 3.3Å; H219-A221 PolarHBondContact O-N 3.42Å
220R43.7Very low57.6Low222 Ų222126.3 Ų126.384%0.83863%0.633SS**  trans-64109.1153-161.5176.4-174.5176.21.7102.2K218 Q222K218-R220 PolarHBondContact O-N 3.35Å; R220-Q222 PolarHBondContact O-N 3.34Å
221A40.9Very low55.2Low85 Ų85131.3 Ų131.370%0.70267%0.668SS**  trans-29.5122.1-177.700000109.4H219 S223H219-A221 VanDerWaalsContact C-N 3.3Å; H219-A221 PolarHBondContact O-N 3.42Å; A221-S223 PolarHBondContact O-N 3.01Å
222Q42.4Very low52.4Low182 Ų182131.2 Ų131.285%0.8568%0.678SS**  trans-1994.2179.3-66.7168.83.500110.4R220 L224R220-Q222 PolarHBondContact O-N 3.34Å; Q222-L224 PolarHBondContact O-N 3.44Å
223S40.2Very low49.7Very low97 Ų97136 Ų13668%0.67871%0.711SS**  trans-65.597.5167.854.20000103.2A221 C225A221-S223 PolarHBondContact O-N 3.01Å; S223-C225 PolarHBondContact O-N 2.92Å
224L39.4Very low47Very low155 Ų155140.7 Ų140.781%0.81273%0.729SS**  trans-33115167-81.3137.6000106.4Q222 R226Q222-L224 PolarHBondContact O-N 3.44Å; L224-R226 PolarHBondContact O-N 3.38Å
225C35.2Very low44.5Very low107 Ų107150.1 Ų150.172%0.72376%0.764SS**  trans-54.792.8161.6-81.10000104.9S223 H227S223-C225 PolarHBondContact O-N 2.92Å; C225-H227 PolarHBondContact O-CD2 2.87Å; C225-H227 PolarHBondContact O-N 3.18Å
226R38Very low42.1Very low233 Ų233158.5 Ų158.588%0.87979%0.789SS**  trans-6789163.9-78.8-177.1167.2176.6-3.4103.2L224 S228L224-R226 PolarHBondContact O-N 3.38Å; R226-S228 PolarHBondContact O-N 2.82Å
227H36.9Very low40.5Very low165 Ų165157.7 Ų157.776%0.76479%0.788SS**  trans-50106.8155.8-70.5-86.2000104.3C225 S229C225-H227 PolarHBondContact O-CD2 2.87Å; C225-H227 PolarHBondContact O-N 3.18Å; H227-S229 PolarHBondContact O-N 3.33Å
228S40.4Very low39.4Very low109 Ų109157.3 Ų157.376%0.76279%0.794SS**  trans-67.379.6170.553.80000106.2R226 F230R226-S228 PolarHBondContact O-N 2.82Å; S228-F230 PolarHBondContact O-N 2.95Å
229S38.2Very low39Very low105 Ų105154.4 Ų154.473%0.73479%0.787SS**  trans-6289.6147.727.50000105H227 S231H227-S229 PolarHBondContact O-N 3.33Å; S229-S231 PolarHBondContact O-N 3.48Å
230F38.5Very low38.8Very low193 Ų193156.4 Ų156.485%0.84679%0.787SS**  trans-6476.7169.4178.8-100.1000107.4S228 G232S228-F230 PolarHBondContact O-N 2.95Å; F230-G232 VanDerWaalsContact C-N 3.31Å; F230-G232 PolarHBondContact O-N 3Å
231S38.6Very low39Very low107 Ų107153.2 Ų153.275%0.74879%0.786SS**  trans-91.378.5162.568.40000106.6S229 S233S229-S231 PolarHBondContact O-N 3.48Å; S231-S233 PolarHBondContact O-N 3.41Å
232G30.8Very low39.5Very low52 Ų52154.7 Ų154.754%0.53679%0.787SS.*  trans-66.995.7169.300000109F230F230-G232 VanDerWaalsContact C-N 3.31Å; F230-G232 PolarHBondContact O-N 3Å
233S34.6Very low40.1Very low107 Ų107155 Ų15575%0.74879%0.788SS**  trans177133.9152.2-82.90000109.8S231S231-S233 PolarHBondContact O-N 3.41Å
234K37.4Very low40.9Very low200 Ų200156.9 Ų156.987%0.8779%0.789SS**  trans9146.3174.1-47.9-176.7-176.3179.70117R236K234-R236 VanDerWaalsContact C-N 3.28Å; K234-R236 PolarHBondContact O-N 2.89Å
235Y38.9Very low41.8Very low241 Ų241154.3 Ų154.395%0.94578%0.782SS**  trans-81.184.5148.6-116-95.1000108.3
236R35.7Very low42.9Very low239 Ų239154 Ų15490%0.90278%0.779SS**  trans-85.3114.8166.7-158.6178.9-167.3171.33.6106.7K234 N238K234-R236 VanDerWaalsContact C-N 3.28Å; K234-R236 PolarHBondContact O-N 2.89Å; R236-N238 PolarHBondContact O-N 2.98Å
237Q41.2Very low44.1Very low163 Ų163153.8 Ų153.876%0.76278%0.779SS**  trans-50.6117.4179.8-66.5163.7-37.400110.9L239Q237-L239 HydrophobicContact CB-CD1 4.14Å
238N40.1Very low44.9Very low160 Ų160150.6 Ų150.686%0.85677%0.767SS**  trans-122.586.9154.4-114.7-36.8000106.5R236 R240R236-N238 PolarHBondContact O-N 2.98Å; N238-R240 PolarHBondContact O-N 3.26Å
239L41.9Very low45.7Very low136 Ų136152.1 Ų152.171%0.71276%0.762SS**  trans-51.4105.1169.4-97.364.6000108.7Q237Q237-L239 HydrophobicContact CB-CD1 4.14Å
240R42.7Very low46.8Very low227 Ų227155.2 Ų155.286%0.85777%0.771SS**  trans-116.9122.5149.3-78.2-165.7174-171.5-0.9106.2N238 T242N238-R240 PolarHBondContact O-N 3.26Å; R240-T242 PolarHBondContact O-N 3.14Å; R240-T242 PolarHBondContact O-OG1 3.49Å
241N46.6Very low47.4Very low154 Ų154152.2 Ų152.282%0.82476%0.763SS**  trans-62.563.4-175.5-65.2-17000112.3E243N241-E243 PolarHBondContact O-N 3.17Å
242T52.6Low47.9Very low116 Ų116148.7 Ų148.771%0.71274%0.741SS**  trans-78.1107.8157.443.40000105.6R240 I244R240-T242 PolarHBondContact O-N 3.14Å; R240-T242 PolarHBondContact O-OG1 3.49Å; T242-I244 VanDerWaalsContact C-N 3.27Å; T242-I244 WeakPolarHBondContact O-CG1 3.28Å; T242-I244 PolarHBondContact O-N 3.33Å
243E53.9Low48.8Very low188 Ų188153.3 Ų153.388%0.87975%0.753SS**  trans-50.797.3168.8-71.9171.6173.900107.5N241 P245N241-E243 PolarHBondContact O-N 3.17Å; E243-P245 WeakPolarHBondContact O-CD 3.23Å
244I57Low49.5Very low138 Ų138154.4 Ų154.471%0.70875%0.75SS**PPolyproline II helixtrans-67120175-59.2171.3000103.6T242T242-I244 VanDerWaalsContact C-N 3.27Å; T242-I244 WeakPolarHBondContact O-CG1 3.28Å; T242-I244 PolarHBondContact O-N 3.33Å
245P59.7Low49.9Very low100 Ų100151.7 Ų151.765%0.64974%0.739SS**PPolyproline II helixtrans-54.9135.1173.620.6-29.3000107.6E243 Y247E243-P245 WeakPolarHBondContact O-CD 3.23Å; P245-Y247 PolarHBondContact O-N 3.21Å; P245-Y247 VanDerWaalsContact O-N 3.16Å
246P58Low50.3Low102 Ų102146.3 Ų146.366%0.66272%0.722SS**PPolyproline II helixtrans-49.9128.2-177.819.7-30.9000108.7L248P246-L248 PolarHBondContact O-N 2.97Å
247Y62.6Low50.8Low228 Ų228138 Ų13889%0.89470%0.698SS**SBendtrans-66.8-10.4-171-153.3-97000112.1P245P245-Y247 PolarHBondContact O-N 3.21Å; P245-Y247 VanDerWaalsContact O-N 3.16Å
248L53.5Low51.1Low97 Ų97133 Ų13351%0.50868%0.676SS.*SBendtrans-160144173.8-143.872.1000106.6P246 A252 L254P246-L248 PolarHBondContact O-N 2.97Å; L248-A252 HydrophobicContact CD1-CB 4.43Å; L248-A252 HydrophobicContact CD2-CB 3.79Å; L248-A252 HydrophobicContact CG-CB 3.55Å; L248-L254 HydrophobicContact CD2-CD1 4.1Å
249E57.6Low51.9Low141 Ų141134.6 Ų134.666%0.65968%0.679SS**  trans-61.6141.8170.2-67.6164.5177.900108.3D251 A252E249-D251 PolarHBondContact O-N 2.97Å; E249-D251 VanDerWaalsContact O-N 3.11Å; E249-A252 HydrophobicContact CB-CB 4.2Å; E249-A252 WeakPolarHBondContact O-CB 3.45Å; E249-A252 PolarHBondContact O-N 3.26Å
250D60.5Low52.7Low171 Ų171133.7 Ų133.791%0.91468%0.679SS**THydrogen-bonded Turntrans-61.8-22.2-177.5-74.7-33.4000111.9
251D52.3Low53.2Low129 Ų129132.6 Ų132.669%0.6968%0.675SS**THydrogen-bonded Turntrans-98.84.6176.439.5-42.6000113.2E249 D253E249-D251 PolarHBondContact O-N 2.97Å; E249-D251 VanDerWaalsContact O-N 3.11Å; D251-D253 VanDerWaalsContact C-N 3.27Å; D251-D253 PolarHBondContact O-N 3.39Å
252A48.8Very low53.2Low34 Ų34129.4 Ų129.428%0.28167%0.67SS.*SBendtrans-69.693164.900000108.1L248 E249 L254L248-A252 HydrophobicContact CD1-CB 4.43Å; L248-A252 HydrophobicContact CD2-CB 3.79Å; L248-A252 HydrophobicContact CG-CB 3.55Å; E249-A252 HydrophobicContact CB-CB 4.2Å; E249-A252 WeakPolarHBondContact O-CB 3.45Å; E249-A252 PolarHBondContact O-N 3.26Å; A252-L254 VanDerWaalsContact C-N 3.34Å; A252-L254 PolarHBondContact O-N 3.24Å
253D48.8Very low52.8Low148 Ų148125.9 Ų125.979%0.79165%0.653SS**  trans-35.591.6178.9-69.2-37.7000111.8D251 F255D251-D253 VanDerWaalsContact C-N 3.27Å; D251-D253 PolarHBondContact O-N 3.39Å; D253-F255 PolarHBondContact O-N 3.3Å
254L49.1Very low52.4Low131 Ų131120.7 Ų120.769%0.68664%0.636SS**SBendtrans-80.850.7172.9-161.278.6000108.2L248 A252L248-L254 HydrophobicContact CD2-CD1 4.1Å; A252-L254 VanDerWaalsContact C-N 3.34Å; A252-L254 PolarHBondContact O-N 3.24Å
255F47.7Very low51.7Low142 Ų142119 Ų11962%0.62362%0.623SS**  trans58.4131.1-167.7-48.3-81.2000111.6D253 V257 P264D253-F255 PolarHBondContact O-N 3.3Å; F255-V257 HydrophobicContact CB-CG2 4.12Å; F255-V257 WeakPolarHBondContact O-CG2 3.49Å; F255-V257 PolarHBondContact O-N 3.32Å; F255-P264 HydrophobicContact CB-CB 4.01Å; F255-P264 HydrophobicContact CB-CG 4.31Å; F255-P264 HydrophobicContact CD1-CB 4.04Å; F255-P264 HydrophobicContact CD1-CG 4.21Å; F255-P264 HydrophobicContact CG-CB 4.24Å; F255-P264 HydrophobicContact CG-CG 4.24Å
256E46.8Very low51.1Low128 Ų128121.9 Ų121.960%0.59863%0.632SS**  trans-68.293.1164.6-157-168.616400106.1D258 K265E256-D258 PolarHBondContact O-N 2.86Å; E256-K265 HydrophobicContact CB-CB 4.25Å; E256-K265 HydrophobicContact CB-CD 4.15Å; E256-K265 VanDerWaalsContact CD-CD 3.5Å; E256-K265 HydrophobicContact CG-CD 3.82Å; E256-K265 WeakPolarHBondContact O-CB 3.42Å; E256-K265 VanDerWaalsContact O-CG 3.26Å; E256-K265 WeakPolarHBondContact O-CG 3.49Å; E256-K265 PolarHBondContact O-N 3.28Å; E256-K265 IonicContact OE1-NZ 2.62Å; E256-K265 PolarHBondContact OE1-NZ 3.1Å
257V46Very low50.3Low65 Ų65125.9 Ų125.939%0.39464%0.644SS.*EExtended strand (participates in β ladder)trans-77.3126.2-176178.30000107.8F255 E259 A262 A263F255-V257 HydrophobicContact CB-CG2 4.12Å; F255-V257 WeakPolarHBondContact O-CG2 3.49Å; F255-V257 PolarHBondContact O-N 3.32Å; V257-E259 PolarHBondContact O-N 3.49Å; V257-A262 VanDerWaalsContact CG1-CA 3.46Å; V257-A263 WeakPolarHBondContact CA-O 3.35Å
258D46.6Very low49Very low57 Ų57123.1 Ų123.131%0.30565%0.645SS.*EExtended strand (participates in β ladder)trans-62.6109.3168.3-176.8-15.6000108.3E256 T260 R261 A262 A263 K265E256-D258 PolarHBondContact O-N 2.86Å; D258-T260 PolarHBondContact O-N 2.68Å; D258-T260 PolarHBondContact OD1-N 3.36Å; D258-T260 PolarHBondContact OD1-OG1 2.84Å; D258-T260 PolarHBondContact OD2-OG1 3Å; D258-R261 CarbonylContact O-C 3.57Å; D258-R261 PolarHBondContact O-N 3.41Å; D258-A262 PolarHBondContact O-N 3.02Å; D258-A263 PolarHBondContact N-O 2.72Å; D258-K265 HydrophobicContact CB-CG 4.14Å
259E56.7Low48.2Very low194 Ų194122.6 Ų122.691%0.90765%0.654SS**THydrogen-bonded Turntrans-56.2-24-177.3-65.7-171.6167.300112.6V257V257-E259 PolarHBondContact O-N 3.49Å
260T60.3Low46.9Very low118 Ų118121.7 Ų121.772%0.72466%0.661SS**THydrogen-bonded Turntrans-82-20.7178.368.20000113.4D258D258-T260 PolarHBondContact O-N 2.68Å; D258-T260 PolarHBondContact OD1-N 3.36Å; D258-T260 PolarHBondContact OD1-OG1 2.84Å; D258-T260 PolarHBondContact OD2-OG1 3Å
261R52.2Low45.6Very low203 Ų203121.3 Ų121.377%0.76666%0.657SS**THydrogen-bonded Turntrans-130.90.5-171.8-76.9-173.6163.6-177.1-3115.8D258 A263D258-R261 CarbonylContact O-C 3.57Å; D258-R261 PolarHBondContact O-N 3.41Å; R261-A263 HydrophobicContact CB-CB 4.46Å; R261-A263 PolarHBondContact O-N 3.18Å
262A46.8Very low44.9Very low88 Ų88124.8 Ų124.873%0.72767%0.666SS**THydrogen-bonded Turntrans48.431.6-178.900000112.9V257 D258V257-A262 VanDerWaalsContact CG1-CA 3.46Å; D258-A262 PolarHBondContact O-N 3.02Å
263A44.3Very low44.1Very low42 Ų42128.2 Ų128.235%0.34769%0.688SS.*EExtended strand (participates in β ladder)trans-119.2146.4-178.400000109.8V257 D258 R261 K265V257-A263 WeakPolarHBondContact CA-O 3.35Å; D258-A263 PolarHBondContact N-O 2.72Å; R261-A263 HydrophobicContact CB-CB 4.46Å; R261-A263 PolarHBondContact O-N 3.18Å; A263-K265 PolarHBondContact O-N 3.27Å
264P44.6Very low43.6Very low79 Ų79128.2 Ų128.251%0.51369%0.688SS.*EExtended strand (participates in β ladder)trans-57.7130.5175.2-21.532000111.3F255 L266F255-P264 HydrophobicContact CB-CB 4.01Å; F255-P264 HydrophobicContact CB-CG 4.31Å; F255-P264 HydrophobicContact CD1-CB 4.04Å; F255-P264 HydrophobicContact CD1-CG 4.21Å; F255-P264 HydrophobicContact CG-CB 4.24Å; F255-P264 HydrophobicContact CG-CG 4.24Å; P264-L266 PolarHBondContact O-N 3.27Å
265K43.8Very low42.8Very low102 Ų102126.8 Ų126.844%0.44369%0.689SS.*PPolyproline II helixtrans-66.7129.7169.7-75.3179.6-171.9175.80109.1E256 D258 A263 M267E256-K265 HydrophobicContact CB-CB 4.25Å; E256-K265 HydrophobicContact CB-CD 4.15Å; E256-K265 VanDerWaalsContact CD-CD 3.5Å; E256-K265 HydrophobicContact CG-CD 3.82Å; E256-K265 WeakPolarHBondContact O-CB 3.42Å; E256-K265 VanDerWaalsContact O-CG 3.26Å; E256-K265 WeakPolarHBondContact O-CG 3.49Å; E256-K265 PolarHBondContact O-N 3.28Å; E256-K265 IonicContact OE1-NZ 2.62Å; E256-K265 PolarHBondContact OE1-NZ 3.1Å; D258-K265 HydrophobicContact CB-CG 4.14Å; A263-K265 PolarHBondContact O-N 3.27Å; K265-M267 PolarHBondContact O-N 3.34Å
266L46.3Very low42.6Very low161 Ų161125.6 Ų125.684%0.84370%0.698SS**PPolyproline II helixtrans-72.4123.5176-69.4162.5000108.1P264 D268P264-L266 PolarHBondContact O-N 3.27Å; L266-D268 PolarHBondContact O-N 3.43Å
267M41.3Very low42.4Very low186 Ų186127.6 Ų127.692%0.91671%0.705SS**PPolyproline II helixtrans-61.8130159.9-90.1-151125.700108.3K265 A269K265-M267 PolarHBondContact O-N 3.34Å; M267-A269 PolarHBondContact O-N 2.9Å
268D35.7Very low42.2Very low170 Ų170126.7 Ų126.791%0.90971%0.709SS**  trans-57.489.7-176.8-66.5-53000111.9L266L266-D268 PolarHBondContact O-N 3.43Å
269A35.4Very low42.2Very low85 Ų85130 Ų13070%0.70273%0.733SS**  trans-89.8132.4162.600000108.5M267 I271M267-A269 PolarHBondContact O-N 2.9Å; A269-I271 PolarHBondContact O-N 3.45Å; A269-I271 VanDerWaalsContact O-N 3.09Å
270P31.4Very low41.9Very low122 Ų122126.8 Ų126.879%0.79272%0.721SS**  trans-65.6111.8-16826.3-36.3000112.7K272P270-K272 PolarHBondContact O-N 3.17Å
271I33.5Very low41.3Very low164 Ų164122.6 Ų122.684%0.84170%0.696SS**  trans37.181.6142.3-41.4172.7000114.8A269A269-I271 PolarHBondContact O-N 3.45Å; A269-I271 VanDerWaalsContact O-N 3.09Å
272K36.8Very low41.2Very low201 Ų201122.1 Ų122.187%0.87470%0.695SS**  trans-128108.9144.1-77.5-172178.5178.90108.4P270 D274P270-K272 PolarHBondContact O-N 3.17Å; K272-D274 PolarHBondContact O-N 3.18Å
273S32.8Very low41.1Very low106 Ų106122.6 Ų122.674%0.74168%0.684SS**  trans-50115.7169.1500000110.3
274D36.7Very low41.2Very low149 Ų149122.8 Ų122.880%0.79768%0.683SS**  trans-162.2134.4132.9-90.1-28.8000109.3K272K272-D274 PolarHBondContact O-N 3.18Å
275S34.1Very low41.5Very low101 Ų101122.9 Ų122.971%0.70668%0.68SS**  trans-71.7151.4-166.2460000113.5
276S43.1Very low42Very low117 Ų117122.7 Ų122.782%0.81868%0.679SS**  trans61.176.5162.164.70000117.4
277K41.5Very low42.1Very low170 Ų170119.9 Ų119.974%0.73966%0.664SS**  trans-121.898162.8-65.3-173.8-178.3-175.90109.2
278G42.8Very low42.5Very low46 Ų46118.4 Ų118.447%0.47466%0.655SS.*  trans-73178.4-179.500000113.3I280 S281G278-I280 PolarHBondContact O-N 3.49Å; G278-I280 VanDerWaalsContact O-N 3.09Å; G278-S281 WeakPolarHBondContact O-CB 3.31Å; G278-S281 PolarHBondContact O-N 3.08Å
279P45.7Very low43.2Very low126 Ų126113.6 Ų113.682%0.81863%0.626SS**THydrogen-bonded Turntrans-65.4-16.1-17425.3-34.2000114.4S281P279-S281 PolarHBondContact O-N 3.08Å
280I50.5Low43.6Very low127 Ų127110 Ų11065%0.65160%0.596SS**Hα-helixtrans-69.8-22.4171.4-60166.6000110.8G278 W282 L283 S284G278-I280 PolarHBondContact O-N 3.49Å; G278-I280 VanDerWaalsContact O-N 3.09Å; I280-W282 PolarHBondContact O-N 2.72Å; I280-L283 CarbonylContact O-C 3.58Å; I280-L283 WeakPolarHBondContact O-CA 3.26Å; I280-L283 WeakPolarHBondContact O-CB 3.48Å; I280-L283 PolarHBondContact O-N 3.01Å; I280-S284 PolarHBondContact O-N 3.17Å; I280-S284 PolarHBondContact O-OG 2.78Å
281S48.2Very low44.2Very low29 Ų29108 Ų10820%0.20358%0.578CS.*Hα-helixtrans-63.7-26.2-178.4-162.30000113.1G278 P279 S284 D285G278-S281 WeakPolarHBondContact O-CB 3.31Å; G278-S281 PolarHBondContact O-N 3.08Å; P279-S281 PolarHBondContact O-N 3.08Å; S281-S284 CarbonylContact O-C 3.6Å; S281-S284 WeakPolarHBondContact O-CB 3.47Å; S281-S284 PolarHBondContact O-N 3.16Å; S281-D285 WeakPolarHBondContact O-CB 3.29Å; S281-D285 VanDerWaalsContact O-CG 3.24Å; S281-D285 PolarHBondContact O-N 3.44Å
282W49.6Very low44.6Very low194 Ų194107 Ų10774%0.73557%0.568SS**Hα-helixtrans-72.6-35.6173.7179.757.2000112.2I280 S284 F286I280-W282 PolarHBondContact O-N 2.72Å; W282-S284 VanDerWaalsContact C-N 3.32Å; W282-F286 WeakPolarHBondContact O-CB 3.24Å; W282-F286 PolarHBondContact O-N 2.91Å
283L45.3Very low45.1Very low97 Ų97105.5 Ų105.551%0.50856%0.557SS.*Hα-helixtrans-67.6-37.7169.6-69.3177.9000110.6I280 F286 L287I280-L283 CarbonylContact O-C 3.58Å; I280-L283 WeakPolarHBondContact O-CA 3.26Å; I280-L283 WeakPolarHBondContact O-CB 3.48Å; I280-L283 PolarHBondContact O-N 3.01Å; L283-F286 PolarHBondContact O-N 3.21Å; L283-L287 VanDerWaalsContact O-CB 3.31Å; L283-L287 WeakPolarHBondContact O-CB 3.37Å; L283-L287 VanDerWaalsContact O-CG 3.26Å; L283-L287 WeakPolarHBondContact O-CG 3.3Å; L283-L287 PolarHBondContact O-N 2.78Å
284S46.5Very low45.7Very low46 Ų46105.5 Ų105.532%0.32255%0.547SS..Hα-helixtrans-62-47.2173.2-56.30000111.4I280 S281 W282 F286 L287 E288I280-S284 PolarHBondContact O-N 3.17Å; I280-S284 PolarHBondContact O-OG 2.78Å; S281-S284 CarbonylContact O-C 3.6Å; S281-S284 WeakPolarHBondContact O-CB 3.47Å; S281-S284 PolarHBondContact O-N 3.16Å; W282-S284 VanDerWaalsContact C-N 3.32Å; S284-F286 VanDerWaalsContact C-N 3.27Å; S284-F286 PolarHBondContact O-N 3.36Å; S284-L287 CarbonylContact O-C 3.59Å; S284-L287 PolarHBondContact O-N 2.98Å; S284-L287 VanDerWaalsContact O-N 3.11Å; S284-E288 VanDerWaalsContact O-CB 3.27Å; S284-E288 WeakPolarHBondContact O-CB 3.3Å; S284-E288 WeakPolarHBondContact O-CG 3.48Å; S284-E288 PolarHBondContact O-N 3.13Å
285D51Low46.2Very low82 Ų82103.2 Ų103.244%0.43953%0.534SS..Hα-helixtrans-63.1-36.1177.2-71.3-8.5000111.4S281 K289S281-D285 WeakPolarHBondContact O-CB 3.29Å; S281-D285 VanDerWaalsContact O-CG 3.24Å; S281-D285 PolarHBondContact O-N 3.44Å; D285-K289 WeakPolarHBondContact O-CB 3.44Å; D285-K289 PolarHBondContact O-N 3.39Å
286F53.1Low46.8Very low97 Ų97103.3 Ų103.343%0.42553%0.525SS..Hα-helixtrans-68.2-37.3174.9-175.5-97.9000112.3W282 L283 S284 S290W282-F286 WeakPolarHBondContact O-CB 3.24Å; W282-F286 PolarHBondContact O-N 2.91Å; L283-F286 PolarHBondContact O-N 3.21Å; S284-F286 VanDerWaalsContact C-N 3.27Å; S284-F286 PolarHBondContact O-N 3.36Å; F286-S290 WeakPolarHBondContact O-CB 3.5Å; F286-S290 PolarHBondContact O-OG 3.22Å
287L49.6Very low47.1Very low103 Ų103102.5 Ų102.554%0.53951%0.507SS..Hα-helixtrans-80.7-43178.9-73172.5000112.6L283 S284 K289 S290L283-L287 VanDerWaalsContact O-CB 3.31Å; L283-L287 WeakPolarHBondContact O-CB 3.37Å; L283-L287 VanDerWaalsContact O-CG 3.26Å; L283-L287 WeakPolarHBondContact O-CG 3.3Å; L283-L287 PolarHBondContact O-N 2.78Å; S284-L287 CarbonylContact O-C 3.59Å; S284-L287 PolarHBondContact O-N 2.98Å; S284-L287 VanDerWaalsContact O-N 3.11Å; L287-K289 VanDerWaalsContact C-N 3.26Å; L287-K289 PolarHBondContact O-N 3.29Å; L287-S290 WeakPolarHBondContact O-CB 3.5Å; L287-S290 PolarHBondContact O-N 2.84Å; L287-S290 VanDerWaalsContact O-O 3.13Å
288E49Very low47.4Very low154 Ų15498.3 Ų98.372%0.7249%0.493SS*.Hα-helixtrans-61.6-34.6178.3-82.6-173.3156.600111.3S284 S290S284-E288 VanDerWaalsContact O-CB 3.27Å; S284-E288 WeakPolarHBondContact O-CB 3.3Å; S284-E288 WeakPolarHBondContact O-CG 3.48Å; S284-E288 PolarHBondContact O-N 3.13Å; E288-S290 VanDerWaalsContact C-N 3.32Å
289K51.3Low47.7Very low70 Ų70101.7 Ų101.730%0.30449%0.494SS..THydrogen-bonded Turntrans-87.1-0.1174.9-65.1-162.5152.2178.80114.4E142 D285 L287E142-K289 WeakPolarHBondContact OE1-CE 3.35Å; E142-K289 IonicContact OE1-NZ 3.82Å; E142-K289 PolarHBondContact OE1-NZ 3.44Å; D285-K289 WeakPolarHBondContact O-CB 3.44Å; D285-K289 PolarHBondContact O-N 3.39Å; L287-K289 VanDerWaalsContact C-N 3.26Å; L287-K289 PolarHBondContact O-N 3.29Å
290S42.7Very low47.9Very low9 Ų9100 Ų1006%0.06347%0.471CS..EExtended strand (participates in β ladder)trans-10097.4173.4-66.40000109.2T162 F286 L287 E288 F292T162-S290 VanDerWaalsContact CG2-OG 3.26Å; T162-S290 WeakPolarHBondContact CG2-OG 3.41Å; T162-S290 PolarHBondContact OG1-OG 3.19Å; F286-S290 WeakPolarHBondContact O-CB 3.5Å; F286-S290 PolarHBondContact O-OG 3.22Å; L287-S290 WeakPolarHBondContact O-CB 3.5Å; L287-S290 PolarHBondContact O-N 2.84Å; L287-S290 VanDerWaalsContact O-O 3.13Å; E288-S290 VanDerWaalsContact C-N 3.32Å; S290-F292 WeakPolarHBondContact O-CD2 3.33Å; S290-F292 WeakPolarHBondContact O-CE2 3.46Å; S290-F292 PolarHBondContact O-N 3.07Å
291L44.7Very low47.7Very low79 Ų7997.9 Ų97.941%0.41446%0.457SS..EExtended strand (participates in β ladder)trans-83.5115.4175.8-69.8151.7000108.9I161 W293I161-L291 PolarHBondContact O-N 3.35Å; L291-W293 HydrophobicContact CB-CE3 4.3Å; L291-W293 HydrophobicContact CB-CH2 3.29Å; L291-W293 HydrophobicContact CB-CZ2 3.5Å; L291-W293 VanDerWaalsContact CB-CZ2 3.5Å; L291-W293 HydrophobicContact CB-CZ3 3.71Å; L291-W293 HydrophobicContact CD1-CH2 3.69Å; L291-W293 HydrophobicContact CD1-CZ2 4.37Å; L291-W293 HydrophobicContact CD1-CZ3 4.4Å; L291-W293 HydrophobicContact CD2-CH2 4.06Å; L291-W293 HydrophobicContact CD2-CZ3 3.94Å; L291-W293 HydrophobicContact CG-CH2 3.85Å; L291-W293 HydrophobicContact CG-CZ2 4.46Å; L291-W293 HydrophobicContact CG-CZ3 4.21Å
292F42.5Very low47.6Very low144 Ų144103.7 Ų103.763%0.63248%0.478SS*.EExtended strand (participates in β ladder)trans-100.6130.9174.5-59.8-88.4000108.8S290S290-F292 WeakPolarHBondContact O-CD2 3.33Å; S290-F292 WeakPolarHBondContact O-CE2 3.46Å; S290-F292 PolarHBondContact O-N 3.07Å
293W46.1Very low47.4Very low169 Ų16995.5 Ų95.564%0.6446%0.455SS*.  trans-135.8017012.671.5000109.1L153 I161 L291L153-W293 HydrophobicContact CD1-CH2 3.55Å; L153-W293 HydrophobicContact CD1-CZ2 3.57Å; L153-W293 HydrophobicContact CD1-CZ3 4.3Å; L153-W293 HydrophobicContact CD2-CD2 3.9Å; L153-W293 HydrophobicContact CD2-CG 4.32Å; L153-W293 HydrophobicContact CD2-CH2 4.04Å; L153-W293 HydrophobicContact CD2-CZ2 3.24Å; L153-W293 HydrophobicContact CG-CH2 4.25Å; L153-W293 HydrophobicContact CG-CZ2 3.74Å; I161-W293 HydrophobicContact CD1-CZ2 4.45Å; L291-W293 HydrophobicContact CB-CE3 4.3Å; L291-W293 HydrophobicContact CB-CH2 3.29Å; L291-W293 HydrophobicContact CB-CZ2 3.5Å; L291-W293 VanDerWaalsContact CB-CZ2 3.5Å; L291-W293 HydrophobicContact CB-CZ3 3.71Å; L291-W293 HydrophobicContact CD1-CH2 3.69Å; L291-W293 HydrophobicContact CD1-CZ2 4.37Å; L291-W293 HydrophobicContact CD1-CZ3 4.4Å; L291-W293 HydrophobicContact CD2-CH2 4.06Å; L291-W293 HydrophobicContact CD2-CZ3 3.94Å; L291-W293 HydrophobicContact CG-CH2 3.85Å; L291-W293 HydrophobicContact CG-CZ2 4.46Å; L291-W293 HydrophobicContact CG-CZ3 4.21Å

Retrieved 293 of 293 residues in 115.9 ms (Link to these results)