G4V772_SCHMA Loading...

Putative ubiquitin-conjugating enzyme rad6

AlphaFold DB , UniProt , Accession G4V772, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 156 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
1M59.4Low92.2Very high235 Ų23588.3 Ų88.3100%1.15842%0.418SS*.  0136.20-68.5-177.3-158.700108.6T3M1-T3 PolarHBondContact O-N 3.28Å
2S83.2Confident92.6Very high66 Ų6681.4 Ų81.446%0.46239%0.385SS..  trans-76116.7180-171.60000110.8R7S2-R7 WeakPolarHBondContact OG-CG 3.35Å
3T94.5Very high93Very high44 Ų4479 Ų7927%0.2737%0.373SS..  trans-72.9165.2-179.661.90000111.2M1 A5 R6 R7 E61M1-T3 PolarHBondContact O-N 3.28Å; T3-A5 VanDerWaalsContact C-N 3.28Å; T3-A5 PolarHBondContact O-N 2.99Å; T3-R6 VanDerWaalsContact CG2-NH1 3.32Å; T3-R6 PolarHBondContact O-N 3.27Å; T3-R6 WeakPolarHBondContact OG1-CG 3.23Å; T3-R6 PolarHBondContact OG1-N 3.37Å; T3-R6 PolarHBondContact OG1-NH1 2.84Å; T3-R7 PolarHBondContact O-N 3.37Å; T3-E61 WeakPolarHBondContact CB-OE2 3.48Å; T3-E61 WeakPolarHBondContact CG2-OE2 3.5Å; T3-E61 PolarHBondContact OG1-OE2 3.33Å
4K95.9Very high93.2Very high172 Ų17282.4 Ų82.475%0.74839%0.385SS*.Hα-helixtrans-59-42.9175.1-72.1-178.2-179.9178.90110.8R7 R8K4-R7 PolarHBondContact O-N 3.02Å; K4-R8 PolarHBondContact O-N 3.22Å
5A97.6Very high93.4Very high1 Ų184.5 Ų84.51%0.00839%0.393CS..Hα-helixtrans-59.3-49.8176.100000112.3T3 R7 R8 L9 M34 Y63T3-A5 VanDerWaalsContact C-N 3.28Å; T3-A5 PolarHBondContact O-N 2.99Å; A5-R7 PolarHBondContact O-N 3.46Å; A5-R8 WeakPolarHBondContact O-CB 3.44Å; A5-R8 PolarHBondContact O-N 2.81Å; A5-R8 VanDerWaalsContact O-N 3.1Å; A5-L9 WeakPolarHBondContact O-CG 3.44Å; A5-L9 PolarHBondContact O-N 3.42Å; A5-M34 HydrophobicContact CB-CE 3.91Å; A5-Y63 WeakPolarHBondContact CA-O 3.39Å; A5-Y63 WeakPolarHBondContact CB-O 3.47Å
6R97.3Very high93.6Very high77 Ų7779.9 Ų79.929%0.29137%0.372SS..Hα-helixtrans-60.7-42.3177.5-70.9-172.9-177.672.96.7112.9T3 R8 L9 M10 I33 M34 E61T3-R6 VanDerWaalsContact CG2-NH1 3.32Å; T3-R6 PolarHBondContact O-N 3.27Å; T3-R6 WeakPolarHBondContact OG1-CG 3.23Å; T3-R6 PolarHBondContact OG1-N 3.37Å; T3-R6 PolarHBondContact OG1-NH1 2.84Å; R6-R8 VanDerWaalsContact C-N 3.31Å; R6-R8 PolarHBondContact O-N 3.47Å; R6-L9 PolarHBondContact O-N 3.46Å; R6-M10 WeakPolarHBondContact O-CG 3.2Å; R6-M10 PolarHBondContact O-N 3.4Å; R6-I33 HydrophobicContact CB-CG2 4.35Å; R6-I33 HydrophobicContact CG-CG2 3.75Å; R6-M34 HydrophobicContact CG-CE 3.61Å; R6-M34 HydrophobicContact CG-SD 4.27Å; R6-E61 IonicContact CZ-OE1 3.53Å; R6-E61 IonicContact NH1-OE1 3.66Å; R6-E61 PolarHBondContact NH1-OE1 3.44Å; R6-E61 IonicContact NH1-OE2 2.77Å; R6-E61 PolarHBondContact NH1-OE2 3.23Å; R6-E61 IonicContact NH2-OE1 2.92Å; R6-E61 PolarHBondContact NH2-OE1 2.78Å
7R97.2Very high93.6Very high131 Ų13182.5 Ų82.549%0.49438%0.384SS..Hα-helixtrans-62.2-39.3174.3-74.6-175.5-76.1161.3-6.6112.2S2 T3 K4 A5 N11S2-R7 WeakPolarHBondContact OG-CG 3.35Å; T3-R7 PolarHBondContact O-N 3.37Å; K4-R7 PolarHBondContact O-N 3.02Å; A5-R7 PolarHBondContact O-N 3.46Å; R7-N11 PolarHBondContact O-N 3.48Å
8R97.8Very high93.7Very high72 Ų7286.4 Ų86.427%0.27241%0.407SS..Hα-helixtrans-63.3-46.7174.717760.1-170.2-129.1-13.9111K4 A5 R6 M10 N11 D12 Y63 P64 Y100K4-R8 PolarHBondContact O-N 3.22Å; A5-R8 WeakPolarHBondContact O-CB 3.44Å; A5-R8 PolarHBondContact O-N 2.81Å; A5-R8 VanDerWaalsContact O-N 3.1Å; R6-R8 VanDerWaalsContact C-N 3.31Å; R6-R8 PolarHBondContact O-N 3.47Å; R8-M10 VanDerWaalsContact C-N 3.33Å; R8-M10 PolarHBondContact O-N 3.01Å; R8-N11 WeakPolarHBondContact O-CA 3.38Å; R8-N11 WeakPolarHBondContact O-CB 3.5Å; R8-N11 PolarHBondContact O-N 3.27Å; R8-D12 IonicContact CZ-OD1 3.6Å; R8-D12 IonicContact NE-OD1 3.15Å; R8-D12 PolarHBondContact NE-OD1 3.32Å; R8-D12 IonicContact NH2-OD1 3.32Å; R8-D12 PolarHBondContact O-N 3.43Å; R8-Y63 HydrophobicContact CB-CD1 4.38Å; R8-Y63 HydrophobicContact CB-CE1 4.3Å; R8-Y63 HydrophobicContact CG-CD1 3.98Å; R8-Y63 HydrophobicContact CG-CE1 3.5Å; R8-P64 HydrophobicContact CG-CB 4.42Å; R8-P64 HydrophobicContact CG-CG 4.19Å; R8-Y100 PolarHBondContact NH2-O 3.35Å; R8-Y100 VanDerWaalsContact NH2-O 3.17Å
9L98.1Very high93.7Very high0 Ų088.3 Ų88.30%042%0.42CS..Hα-helixtrans-62.5-37.8178.6-71.5166.4000113A5 R6 N11 D12 F13 I33 M34 W36 F59 Y63 I102A5-L9 WeakPolarHBondContact O-CG 3.44Å; A5-L9 PolarHBondContact O-N 3.42Å; R6-L9 PolarHBondContact O-N 3.46Å; L9-N11 VanDerWaalsContact C-N 3.27Å; L9-N11 PolarHBondContact O-N 2.69Å; L9-D12 PolarHBondContact O-N 3.17Å; L9-F13 WeakPolarHBondContact O-CB 3.33Å; L9-F13 PolarHBondContact O-N 2.92Å; L9-I33 HydrophobicContact CB-CD1 4.24Å; L9-I33 HydrophobicContact CB-CG1 4.17Å; L9-M34 HydrophobicContact CD1-SD 3.36Å; L9-M34 WeakPolarHBondContact CD1-SD 3.47Å; L9-W36 HydrophobicContact CB-CZ2 4.4Å; L9-W36 HydrophobicContact CD2-CZ2 4.38Å; L9-F59 HydrophobicContact CD1-CB 3.96Å; L9-F59 HydrophobicContact CD1-CD1 4.45Å; L9-F59 HydrophobicContact CD1-CD2 4.41Å; L9-F59 HydrophobicContact CD1-CG 4.03Å; L9-F59 HydrophobicContact CD2-CD1 3.52Å; L9-F59 HydrophobicContact CD2-CD2 4Å; L9-F59 HydrophobicContact CD2-CE1 3.54Å; L9-F59 HydrophobicContact CD2-CE2 4.05Å; L9-F59 HydrophobicContact CD2-CG 3.75Å; L9-F59 HydrophobicContact CD2-CZ 3.83Å; L9-Y63 HydrophobicContact CD1-CD1 4.41Å; L9-Y63 HydrophobicContact CD2-CD1 3.73Å; L9-Y63 HydrophobicContact CD2-CE1 3.54Å; L9-Y63 HydrophobicContact CG-CD1 3.77Å; L9-Y63 HydrophobicContact CG-CE1 3.93Å; L9-I102 HydrophobicContact CD2-CD1 4.22Å
10M96.4Very high93.6Very high81 Ų8187.1 Ų87.140%0.39942%0.42SS..Hα-helixtrans-61.5-36.1171.8-71.2169.752.500112.5R6 R8 K14 I33R6-M10 WeakPolarHBondContact O-CG 3.2Å; R6-M10 PolarHBondContact O-N 3.4Å; R8-M10 VanDerWaalsContact C-N 3.33Å; R8-M10 PolarHBondContact O-N 3.01Å; M10-K14 WeakPolarHBondContact O-CG 3.44Å; M10-K14 PolarHBondContact O-N 3.22Å; M10-I33 HydrophobicContact CB-CD1 4.46Å; M10-I33 HydrophobicContact CG-CD1 3.46Å; M10-I33 VanDerWaalsContact CG-CD1 3.46Å
11N96.9Very high93.7Very high92 Ų9284.5 Ų84.549%0.49241%0.41SS..Hα-helixtrans-71.7-41.4176.7-69-17.2000111.3R7 R8 L9 F13 K14 K15R7-N11 PolarHBondContact O-N 3.48Å; R8-N11 WeakPolarHBondContact O-CA 3.38Å; R8-N11 WeakPolarHBondContact O-CB 3.5Å; R8-N11 PolarHBondContact O-N 3.27Å; L9-N11 VanDerWaalsContact C-N 3.27Å; L9-N11 PolarHBondContact O-N 2.69Å; N11-F13 VanDerWaalsContact C-N 3.3Å; N11-F13 PolarHBondContact O-N 3.31Å; N11-K14 PolarHBondContact O-N 3.24Å; N11-K15 WeakPolarHBondContact O-CB 3.24Å; N11-K15 PolarHBondContact O-N 3.28Å
12D97.3Very high95.5Very high6 Ų678.7 Ų78.73%0.03239%0.39CS..Hα-helixtrans-59.9-41.6173-82.441.1000111.2R8 L9 K15 I16 Y63 N101 I102R8-D12 IonicContact CZ-OD1 3.6Å; R8-D12 IonicContact NE-OD1 3.15Å; R8-D12 PolarHBondContact NE-OD1 3.32Å; R8-D12 IonicContact NH2-OD1 3.32Å; R8-D12 PolarHBondContact O-N 3.43Å; L9-D12 PolarHBondContact O-N 3.17Å; D12-K15 PolarHBondContact O-N 3.06Å; D12-I16 PolarHBondContact O-N 2.95Å; D12-Y63 PolarHBondContact OD2-OH 2.99Å; D12-N101 WeakPolarHBondContact OD2-CA 3.35Å; D12-N101 WeakPolarHBondContact OD2-CB 3.33Å; D12-I102 HydrophobicContact CB-CD1 3.9Å; D12-I102 HydrophobicContact CB-CG1 4.09Å; D12-I102 PolarHBondContact OD2-N 2.86Å
13F97.1Very high96.2Very high50 Ų5076.2 Ų76.222%0.21938%0.375CS..Hα-helixtrans-61.2-49.3175.7-170.6-135.8000112.1L9 N11 K15 I16 Q17 P28 W36L9-F13 WeakPolarHBondContact O-CB 3.33Å; L9-F13 PolarHBondContact O-N 2.92Å; N11-F13 VanDerWaalsContact C-N 3.3Å; N11-F13 PolarHBondContact O-N 3.31Å; F13-K15 PolarHBondContact O-N 2.89Å; F13-I16 HydrophobicContact CD2-CG2 4.35Å; F13-I16 WeakPolarHBondContact O-CG2 3.39Å; F13-I16 PolarHBondContact O-N 2.97Å; F13-Q17 HydrophobicContact CD2-CG 4.14Å; F13-Q17 HydrophobicContact CE2-CG 3.86Å; F13-Q17 VanDerWaalsContact CZ-CD 3.47Å; F13-Q17 HydrophobicContact CZ-CG 4.11Å; F13-Q17 WeakPolarHBondContact O-CB 3.5Å; F13-Q17 WeakPolarHBondContact O-CG 3.44Å; F13-Q17 PolarHBondContact O-N 2.61Å; F13-P28 HydrophobicContact CD1-CG 4.46Å; F13-P28 HydrophobicContact CD2-CG 4.29Å; F13-P28 HydrophobicContact CE1-CG 4.33Å; F13-P28 HydrophobicContact CE2-CG 4.19Å; F13-P28 HydrophobicContact CG-CG 4.43Å; F13-P28 HydrophobicContact CZ-CG 4.19Å; F13-W36 HydrophobicContact CB-CH2 3.5Å; F13-W36 VanDerWaalsContact CB-CH2 3.5Å; F13-W36 HydrophobicContact CB-CZ2 4.13Å; F13-W36 HydrophobicContact CB-CZ3 4.44Å; F13-W36 AromaticContact CD2-CH2 3.66Å; F13-W36 HydrophobicContact CD2-CH2 3.66Å; F13-W36 AromaticContact CD2-CZ3 3.79Å; F13-W36 HydrophobicContact CD2-CZ3 3.79Å; F13-W36 AromaticContact CG-CH2 3.91Å; F13-W36 HydrophobicContact CG-CH2 3.91Å; F13-W36 HydrophobicContact CG-CZ3 4.5Å
14K96.5Very high96.3Very high126 Ų12674.1 Ų74.155%0.54836%0.362SS..Hα-helixtrans-58.8-38.9175.4-73.6174.5-179.2-1770111.9M10 N11 L18M10-K14 WeakPolarHBondContact O-CG 3.44Å; M10-K14 PolarHBondContact O-N 3.22Å; N11-K14 PolarHBondContact O-N 3.24Å; K14-L18 VanDerWaalsContact O-CB 3.26Å; K14-L18 WeakPolarHBondContact O-CB 3.36Å; K14-L18 PolarHBondContact O-N 3.18Å
15K96.2Very high96.4Very high114 Ų11471.8 Ų71.850%0.49635%0.349SS..Hα-helixtrans-65.9-48.9-179.2-173174180178.90111.4N11 D12 F13 Q17 L18 D19 N101N11-K15 WeakPolarHBondContact O-CB 3.24Å; N11-K15 PolarHBondContact O-N 3.28Å; D12-K15 PolarHBondContact O-N 3.06Å; F13-K15 PolarHBondContact O-N 2.89Å; K15-Q17 VanDerWaalsContact C-N 3.31Å; K15-Q17 PolarHBondContact O-N 3.48Å; K15-L18 PolarHBondContact O-N 3.22Å; K15-D19 PolarHBondContact O-N 3.44Å; K15-N101 PolarHBondContact NZ-ND2 2.89Å; K15-N101 VanDerWaalsContact NZ-ND2 3.17Å
16I95.4Very high96.4Very high12 Ų1272.2 Ų72.26%0.06235%0.352CS..Hα-helixtrans-69.6-29.3179.9-158.9171.2000112.4D12 F13 P20 A26 I102 L106D12-I16 PolarHBondContact O-N 2.95Å; F13-I16 HydrophobicContact CD2-CG2 4.35Å; F13-I16 WeakPolarHBondContact O-CG2 3.39Å; F13-I16 PolarHBondContact O-N 2.97Å; I16-P20 VanDerWaalsContact O-CA 3.27Å; I16-P20 WeakPolarHBondContact O-CA 3.35Å; I16-P20 VanDerWaalsContact O-CB 3.31Å; I16-P20 WeakPolarHBondContact O-CB 3.48Å; I16-P20 WeakPolarHBondContact O-CD 3.46Å; I16-A26 HydrophobicContact CD1-CB 3.78Å; I16-I102 HydrophobicContact CD1-CG2 4.16Å; I16-L106 HydrophobicContact CD1-CD1 4.31Å
17Q94.2Very high96.4Very high124 Ų12472.4 Ų72.458%0.57936%0.362SS*.Hα-helixtrans-70.2-38.2172.8-74.7-171.7-45.700113F13 K15F13-Q17 HydrophobicContact CD2-CG 4.14Å; F13-Q17 HydrophobicContact CE2-CG 3.86Å; F13-Q17 VanDerWaalsContact CZ-CD 3.47Å; F13-Q17 HydrophobicContact CZ-CG 4.11Å; F13-Q17 WeakPolarHBondContact O-CB 3.5Å; F13-Q17 WeakPolarHBondContact O-CG 3.44Å; F13-Q17 PolarHBondContact O-N 2.61Å; K15-Q17 VanDerWaalsContact C-N 3.31Å; K15-Q17 PolarHBondContact O-N 3.48Å
18L95.6Very high96.4Very high153 Ų15367.4 Ų67.480%0.80135%0.346SS*.Hα-helixtrans-76.2-39.3-177.8-177.565.6000112.3K14 K15K14-L18 VanDerWaalsContact O-CB 3.26Å; K14-L18 WeakPolarHBondContact O-CB 3.36Å; K14-L18 PolarHBondContact O-N 3.18Å; K15-L18 PolarHBondContact O-N 3.22Å
19D93.4Very high96.4Very high122 Ų12266.3 Ų66.365%0.65235%0.346SS*.SBendtrans-142.974.9-175.1-172.930000109.7K15K15-D19 PolarHBondContact O-N 3.44Å
20P92.7Very high96.1Very high64 Ų6475 Ų7542%0.41639%0.392SS..PPolyproline II helixtrans-69.6127.7179.625.8-31.3000110.2I16I16-P20 VanDerWaalsContact O-CA 3.27Å; I16-P20 WeakPolarHBondContact O-CA 3.35Å; I16-P20 VanDerWaalsContact O-CB 3.31Å; I16-P20 WeakPolarHBondContact O-CB 3.48Å; I16-P20 WeakPolarHBondContact O-CD 3.46Å
21P96.2Very high96Very high32 Ų3278 Ų7821%0.20841%0.41CS..PPolyproline II helixtrans-61.4146.8171.9-1425.9000110.6G23 V24P21-G23 PolarHBondContact O-N 2.88Å; P21-V24 HydrophobicContact CB-CG2 3.67Å; P21-V24 HydrophobicContact CG-CG2 3.82Å; P21-V24 PolarHBondContact O-N 3.09Å
22P96.8Very high96Very high114 Ų11476 Ų7674%0.7440%0.399SS*.THydrogen-bonded Turntrans-57.2131.6-176.5-26.234.9000113V24 Q110P22-V24 PolarHBondContact O-N 3.43Å; P22-Q110 PolarHBondContact O-NE2 3.41Å; P22-Q110 PolarHBondContact O-OE1 3.09Å
23G97.2Very high95.9Very high14 Ų1477.7 Ų77.714%0.14441%0.408CS..THydrogen-bonded Turntrans70.98.8174.800000115.5P21 L41P21-G23 PolarHBondContact O-N 2.88Å; G23-L41 WeakPolarHBondContact O-CB 3.16Å; G23-L41 PolarHBondContact O-N 3.43Å
24V97.5Very high96Very high0 Ų075.9 Ų75.90%040%0.4CS..EExtended strand (participates in β ladder)trans-124.6141.1172.2-51.60000111.3P21 P22 I39 I40 L106 Q110P21-V24 HydrophobicContact CB-CG2 3.67Å; P21-V24 HydrophobicContact CG-CG2 3.82Å; P21-V24 PolarHBondContact O-N 3.09Å; P22-V24 PolarHBondContact O-N 3.43Å; V24-I39 CarbonylContact C-O 3.6Å; V24-I39 WeakPolarHBondContact CA-O 3.45Å; V24-I40 HydrophobicContact CG1-CG1 4.06Å; V24-L106 HydrophobicContact CB-CB 3.83Å; V24-L106 HydrophobicContact CB-CD1 4.35Å; V24-L106 HydrophobicContact CG1-CB 4.02Å; V24-L106 HydrophobicContact CG2-CB 3.99Å; V24-Q110 HydrophobicContact CG1-CB 4.12Å
25Y97Very high96.1Very high123 Ų12374 Ų7448%0.48239%0.392SS..EExtended strand (participates in β ladder)trans-139144.7-177.2-54.7-88.3000109.3A38 I39 L41Y25-A38 CarbonylContact O-C 2.87Å; Y25-A38 WeakPolarHBondContact O-CA 3.49Å; Y25-A38 VanDerWaalsContact O-CB 3.32Å; Y25-A38 WeakPolarHBondContact O-CB 3.45Å; Y25-I39 HydrophobicContact CD2-CB 4.4Å; Y25-I39 HydrophobicContact CD2-CG2 4.46Å; Y25-I39 PolarHBondContact N-O 2.88Å; Y25-I39 PolarHBondContact O-N 3.42Å; Y25-L41 HydrophobicContact CE2-CD1 4.13Å; Y25-L41 HydrophobicContact CE2-CG 4.23Å
26A97.7Very high96.2Very high9 Ų968.7 Ų68.77%0.07437%0.369CS..EExtended strand (participates in β ladder)trans-150.6141.2174.900000111.8I16 W36 H37 A38 I102 L106I16-A26 HydrophobicContact CD1-CB 3.78Å; A26-W36 HydrophobicContact CB-CE3 3.84Å; A26-W36 HydrophobicContact CB-CZ3 4.09Å; A26-H37 CarbonylContact C-O 3.55Å; A26-H37 VanDerWaalsContact CA-O 3.29Å; A26-H37 WeakPolarHBondContact CA-O 3.48Å; A26-A38 HydrophobicContact CB-CB 4.04Å; A26-I102 HydrophobicContact CB-CG2 3.67Å; A26-L106 HydrophobicContact CB-CD1 3.77Å
27V97.3Very high96.3Very high82 Ų8271.2 Ų71.250%0.49738%0.381SS..EExtended strand (participates in β ladder)trans-139.7139.6176.5-62.30000110.2W36 H37V27-W36 VanDerWaalsContact C-CE3 3.42Å; V27-W36 CarbonylContact O-C 3.6Å; V27-W36 VanDerWaalsContact O-CA 3.25Å; V27-W36 WeakPolarHBondContact O-CA 3.42Å; V27-W36 WeakPolarHBondContact O-CB 3.43Å; V27-H37 HydrophobicContact CG2-CB 4.31Å; V27-H37 PolarHBondContact N-O 3.36Å; V27-H37 PolarHBondContact O-N 2.93Å
28P97.8Very high96.5Very high25 Ų2565.5 Ų65.516%0.16235%0.354CS..EExtended strand (participates in β ladder)trans-68.1156.2169.729.6-33.4000110.6F13 I33 K35 W36F13-P28 HydrophobicContact CD1-CG 4.46Å; F13-P28 HydrophobicContact CD2-CG 4.29Å; F13-P28 HydrophobicContact CE1-CG 4.33Å; F13-P28 HydrophobicContact CE2-CG 4.19Å; F13-P28 HydrophobicContact CG-CG 4.43Å; F13-P28 HydrophobicContact CZ-CG 4.19Å; P28-I33 HydrophobicContact CB-CG1 4.27Å; P28-K35 WeakPolarHBondContact CA-O 3.31Å; P28-W36 HydrophobicContact CB-CD2 4Å; P28-W36 HydrophobicContact CB-CG 4.29Å; P28-W36 HydrophobicContact CB-CZ2 4.15Å; P28-W36 HydrophobicContact CG-CZ2 4.4Å
29L96.5Very high96.6Very high50 Ų5061 Ų6126%0.26233%0.331SS..  trans-65.7147.1165.3-59.1-171000110.2D31 N32 K35 H37L29-D31 VanDerWaalsContact C-N 3.26Å; L29-D31 PolarHBondContact O-N 3.09Å; L29-N32 HydrophobicContact CB-CB 4.49Å; L29-N32 CarbonylContact O-C 3.56Å; L29-N32 PolarHBondContact O-N 3.49Å; L29-K35 HydrophobicContact CD1-CB 3.57Å; L29-K35 HydrophobicContact CD1-CD 4.13Å; L29-K35 HydrophobicContact CD1-CG 4.5Å; L29-K35 HydrophobicContact CG-CB 3.84Å; L29-K35 PolarHBondContact N-O 2.92Å; L29-H37 WeakPolarHBondContact CD2-CD2 3.27Å; L29-H37 WeakPolarHBondContact CD2-NE2 3.42Å
30D93Very high96.8Very high181 Ų18155.2 Ų55.297%0.96830%0.3SS*.SBendtrans-57.7-38.3-175.6-73-24.6000113
31D94.1Very high97Very high145 Ų14555 Ų5578%0.77529%0.294SS*.SBendtrans-98.2-10.6-176.371.9-27000113.4L29L29-D31 VanDerWaalsContact C-N 3.26Å; L29-D31 PolarHBondContact O-N 3.09Å
32N95.8Very high97.1Very high50 Ų5053.8 Ų53.827%0.26729%0.288SS..  trans-148.794.8-172-168.5-4.6000114L29 M34 K35L29-N32 HydrophobicContact CB-CB 4.49Å; L29-N32 CarbonylContact O-C 3.56Å; L29-N32 PolarHBondContact O-N 3.49Å; N32-M34 PolarHBondContact O-N 3.06Å; N32-M34 VanDerWaalsContact OD1-CB 3.32Å; N32-M34 WeakPolarHBondContact OD1-CB 3.19Å; N32-M34 PolarHBondContact OD1-N 3.29Å; N32-K35 PolarHBondContact O-N 3.25Å
33I96.5Very high97.2Very high41 Ų4149.6 Ų49.621%0.2126%0.26CS..THydrogen-bonded Turntrans-60.4-13.2174.5-159.1171.4000114.5R6 L9 M10 P28 K35 W36R6-I33 HydrophobicContact CB-CG2 4.35Å; R6-I33 HydrophobicContact CG-CG2 3.75Å; L9-I33 HydrophobicContact CB-CD1 4.24Å; L9-I33 HydrophobicContact CB-CG1 4.17Å; M10-I33 HydrophobicContact CB-CD1 4.46Å; M10-I33 HydrophobicContact CG-CD1 3.46Å; M10-I33 VanDerWaalsContact CG-CD1 3.46Å; P28-I33 HydrophobicContact CB-CG1 4.27Å; I33-K35 VanDerWaalsContact C-N 3.3Å; I33-W36 PolarHBondContact O-NE1 2.93Å
34M97.8Very high97.1Very high13 Ų1355.9 Ų55.96%0.06429%0.291CS..THydrogen-bonded Turntrans-85.4-2.9174.9-60-59.9-156.100112.9A5 R6 L9 N32 F59 E61A5-M34 HydrophobicContact CB-CE 3.91Å; R6-M34 HydrophobicContact CG-CE 3.61Å; R6-M34 HydrophobicContact CG-SD 4.27Å; L9-M34 HydrophobicContact CD1-SD 3.36Å; L9-M34 WeakPolarHBondContact CD1-SD 3.47Å; N32-M34 PolarHBondContact O-N 3.06Å; N32-M34 VanDerWaalsContact OD1-CB 3.32Å; N32-M34 WeakPolarHBondContact OD1-CB 3.19Å; N32-M34 PolarHBondContact OD1-N 3.29Å; M34-F59 HydrophobicContact CB-CB 4.49Å; M34-F59 WeakPolarHBondContact O-CD2 3.37Å; M34-F59 PolarHBondContact O-N 3.34Å; M34-F59 HydrophobicContact SD-CB 4.18Å; M34-E61 HydrophobicContact CE-CG 4.33Å; M34-E61 VanDerWaalsContact CE-OE1 3.29Å; M34-E61 WeakPolarHBondContact CE-OE1 3.36Å; M34-E61 VanDerWaalsContact CE-OE2 3.28Å; M34-E61 WeakPolarHBondContact CE-OE2 3.44Å
35K98.5Very high97Very high86 Ų8660.1 Ų60.137%0.37433%0.334SS..EExtended strand (participates in β ladder)trans-126.4136.6176.1-67.5-169.6173.4-166.20109.4P28 L29 N32 I33 M57 E58P28-K35 WeakPolarHBondContact CA-O 3.31Å; L29-K35 HydrophobicContact CD1-CB 3.57Å; L29-K35 HydrophobicContact CD1-CD 4.13Å; L29-K35 HydrophobicContact CD1-CG 4.5Å; L29-K35 HydrophobicContact CG-CB 3.84Å; L29-K35 PolarHBondContact N-O 2.92Å; N32-K35 PolarHBondContact O-N 3.25Å; I33-K35 VanDerWaalsContact C-N 3.3Å; K35-M57 CarbonylContact C-O 3.57Å; K35-M57 WeakPolarHBondContact CA-O 3.26Å; K35-E58 WeakPolarHBondContact CE-OE2 3.27Å; K35-E58 HydrophobicContact CG-CG 4.31Å; K35-E58 IonicContact NZ-OE2 2.63Å
36W98.4Very high97Very high2 Ų255.6 Ų55.61%0.00832%0.32CS..EExtended strand (participates in β ladder)trans-136.6146.7-174.1-69.856.6000110.7L9 F13 A26 V27 P28 I33 T56 M57 F59 I102L9-W36 HydrophobicContact CB-CZ2 4.4Å; L9-W36 HydrophobicContact CD2-CZ2 4.38Å; F13-W36 HydrophobicContact CB-CH2 3.5Å; F13-W36 VanDerWaalsContact CB-CH2 3.5Å; F13-W36 HydrophobicContact CB-CZ2 4.13Å; F13-W36 HydrophobicContact CB-CZ3 4.44Å; F13-W36 AromaticContact CD2-CH2 3.66Å; F13-W36 HydrophobicContact CD2-CH2 3.66Å; F13-W36 AromaticContact CD2-CZ3 3.79Å; F13-W36 HydrophobicContact CD2-CZ3 3.79Å; F13-W36 AromaticContact CG-CH2 3.91Å; F13-W36 HydrophobicContact CG-CH2 3.91Å; F13-W36 HydrophobicContact CG-CZ3 4.5Å; A26-W36 HydrophobicContact CB-CE3 3.84Å; A26-W36 HydrophobicContact CB-CZ3 4.09Å; V27-W36 VanDerWaalsContact C-CE3 3.42Å; V27-W36 CarbonylContact O-C 3.6Å; V27-W36 VanDerWaalsContact O-CA 3.25Å; V27-W36 WeakPolarHBondContact O-CA 3.42Å; V27-W36 WeakPolarHBondContact O-CB 3.43Å; P28-W36 HydrophobicContact CB-CD2 4Å; P28-W36 HydrophobicContact CB-CG 4.29Å; P28-W36 HydrophobicContact CB-CZ2 4.15Å; P28-W36 HydrophobicContact CG-CZ2 4.4Å; I33-W36 PolarHBondContact O-NE1 2.93Å; W36-T56 WeakPolarHBondContact O-CA 3.35Å; W36-M57 HydrophobicContact CB-CB 4.18Å; W36-M57 PolarHBondContact N-O 3.4Å; W36-M57 PolarHBondContact O-N 3.11Å; W36-F59 HydrophobicContact CB-CE2 4.22Å; W36-F59 AromaticContact CD1-CD2 3.65Å; W36-F59 AromaticContact CD1-CE2 3.28Å; W36-F59 HydrophobicContact CD2-CE2 4.31Å; W36-F59 HydrophobicContact CG-CD2 4.47Å; W36-F59 AromaticContact CG-CE2 3.72Å; W36-F59 HydrophobicContact CG-CE2 3.72Å; W36-F59 AromaticContact NE1-CE2 3.71Å; W36-I102 HydrophobicContact CD2-CD1 3.85Å; W36-I102 HydrophobicContact CE3-CD1 3.69Å; W36-I102 HydrophobicContact CH2-CD1 3.23Å; W36-I102 HydrophobicContact CZ2-CD1 3.46Å; W36-I102 VanDerWaalsContact CZ2-CD1 3.46Å; W36-I102 HydrophobicContact CZ3-CD1 3.39Å; W36-I102 HydrophobicContact CZ3-CG2 4.49Å
37H97.9Very high97Very high66 Ų6655.9 Ų55.931%0.30632%0.322SS..EExtended strand (participates in β ladder)trans-95.9141.1160.8-73.7-50.3000109.6A26 V27 L29A26-H37 CarbonylContact C-O 3.55Å; A26-H37 VanDerWaalsContact CA-O 3.29Å; A26-H37 WeakPolarHBondContact CA-O 3.48Å; V27-H37 HydrophobicContact CG2-CB 4.31Å; V27-H37 PolarHBondContact N-O 3.36Å; V27-H37 PolarHBondContact O-N 2.93Å; L29-H37 WeakPolarHBondContact CD2-CD2 3.27Å; L29-H37 WeakPolarHBondContact CD2-NE2 3.42Å
38A98Very high97Very high3 Ų352.1 Ų52.13%0.02530%0.299CS..EExtended strand (participates in β ladder)trans-135.1156.2172.900000111.1Y25 A26 R54 L55 M57 L106Y25-A38 CarbonylContact O-C 2.87Å; Y25-A38 WeakPolarHBondContact O-CA 3.49Å; Y25-A38 VanDerWaalsContact O-CB 3.32Å; Y25-A38 WeakPolarHBondContact O-CB 3.45Å; A26-A38 HydrophobicContact CB-CB 4.04Å; A38-R54 CarbonylContact O-C 3.58Å; A38-R54 WeakPolarHBondContact O-CA 3.47Å; A38-L55 HydrophobicContact CB-CB 4.26Å; A38-L55 PolarHBondContact N-O 3.37Å; A38-L55 PolarHBondContact O-N 2.99Å; A38-M57 HydrophobicContact CB-SD 4.3Å; A38-L106 HydrophobicContact CB-CD1 3.9Å; A38-L106 HydrophobicContact CB-CD2 3.75Å; A38-L106 HydrophobicContact CB-CG 4.5Å
39I97.7Very high97Very high60 Ų6051.4 Ų51.431%0.30830%0.295SS..EExtended strand (participates in β ladder)trans-128.2134.9174.7-63.2175.6000107.7V24 Y25 L41 I52 F53V24-I39 CarbonylContact C-O 3.6Å; V24-I39 WeakPolarHBondContact CA-O 3.45Å; Y25-I39 HydrophobicContact CD2-CB 4.4Å; Y25-I39 HydrophobicContact CD2-CG2 4.46Å; Y25-I39 PolarHBondContact N-O 2.88Å; Y25-I39 PolarHBondContact O-N 3.42Å; I39-L41 HydrophobicContact CG2-CD2 4.18Å; I39-I52 HydrophobicContact CG2-CG2 3.79Å; I39-F53 CarbonylContact C-O 3.44Å; I39-F53 WeakPolarHBondContact CA-O 3.27Å
40I98.2Very high97Very high0 Ų054.6 Ų54.60%031%0.313CS..EExtended strand (participates in β ladder)trans-117.1123.2166.6-67.1174.5000107.5V24 F53 L55 L106 L109 Q110 L113V24-I40 HydrophobicContact CG1-CG1 4.06Å; I40-F53 PolarHBondContact N-O 2.8Å; I40-F53 PolarHBondContact O-N 3.13Å; I40-L55 HydrophobicContact CB-CD1 4.12Å; I40-L55 HydrophobicContact CD1-CD1 3.88Å; I40-L55 HydrophobicContact CD1-CD2 4.14Å; I40-L55 HydrophobicContact CG1-CD1 3.77Å; I40-L106 HydrophobicContact CD1-CD2 4.1Å; I40-L106 HydrophobicContact CG1-CD2 4.24Å; I40-L109 HydrophobicContact CD1-CB 3.53Å; I40-L109 HydrophobicContact CD1-CD1 4.43Å; I40-Q110 HydrophobicContact CG2-CB 3.74Å; I40-Q110 HydrophobicContact CG2-CG 3.88Å; I40-L113 HydrophobicContact CG2-CD1 3.83Å
41L98Very high97.3Very high59 Ų5946 Ų4631%0.30927%0.267SS..EExtended strand (participates in β ladder)trans-77.9135.2166.2-56.5-174.1000108.9G23 Y25 I39 G51 I52 Q110G23-L41 WeakPolarHBondContact O-CB 3.16Å; G23-L41 PolarHBondContact O-N 3.43Å; Y25-L41 HydrophobicContact CE2-CD1 4.13Å; Y25-L41 HydrophobicContact CE2-CG 4.23Å; I39-L41 HydrophobicContact CG2-CD2 4.18Å; L41-G51 WeakPolarHBondContact CA-O 3.47Å; L41-I52 HydrophobicContact CD2-CG1 4.09Å; L41-I52 HydrophobicContact CD2-CG2 4.37Å; L41-Q110 PolarHBondContact O-NE2 2.95Å; L41-Q110 VanDerWaalsContact O-NE2 3.11Å
42G98.1Very high97.5Very high6 Ų642 Ų426%0.06225%0.245CC..PPolyproline II helixtrans-57.9131.2176.200000111.4F48 G51G42-F48 WeakPolarHBondContact CA-O 3.22Å; G42-G51 PolarHBondContact N-O 3.23Å
43P97.6Very high97.6Very high26 Ų2639.6 Ų39.617%0.16923%0.232CC..PPolyproline II helixtrans-66.3141.4-175.4-13.524000112.2T46 Q110 L113P43-T46 HydrophobicContact CB-CG2 3.85Å; P43-T46 HydrophobicContact CG-CG2 4.23Å; P43-T46 WeakPolarHBondContact O-CB 3.43Å; P43-T46 PolarHBondContact O-N 3.08Å; P43-T46 PolarHBondContact O-OG1 3.19Å; P43-Q110 HydrophobicContact CG-CG 3.83Å; P43-Q110 VanDerWaalsContact CG-O 3.27Å; P43-Q110 WeakPolarHBondContact CG-O 3.36Å; P43-L113 HydrophobicContact CG-CB 4.28Å
44D96.2Very high97.6Very high146 Ų14640.5 Ų40.578%0.78123%0.233SC*.THydrogen-bonded Turntrans-57.5145.9173-66.1-26.3000111.3T46D44-T46 PolarHBondContact O-N 2.9Å
45G95.4Very high97.7Very high89 Ų8939.9 Ų39.992%0.91823%0.23SC*.THydrogen-bonded Turntrans75.15.2-17900000114.8
46T96.3Very high97.7Very high29 Ų2937.4 Ų37.418%0.17822%0.221CC..SBendtrans-109.8167.4175.276.60000111.9P43 D44 F48 A49 R142P43-T46 HydrophobicContact CB-CG2 3.85Å; P43-T46 HydrophobicContact CG-CG2 4.23Å; P43-T46 WeakPolarHBondContact O-CB 3.43Å; P43-T46 PolarHBondContact O-N 3.08Å; P43-T46 PolarHBondContact O-OG1 3.19Å; D44-T46 PolarHBondContact O-N 2.9Å; T46-F48 PolarHBondContact O-N 3Å; T46-F48 PolarHBondContact OG1-N 2.93Å; T46-A49 WeakPolarHBondContact O-CB 3.32Å; T46-A49 PolarHBondContact O-N 3.23Å; T46-A49 PolarHBondContact OG1-N 3.29Å; T46-R142 PolarHBondContact O-NH2 2.9Å
47A97.1Very high97.7Very high15 Ų1537.3 Ų37.312%0.12422%0.221CC..THydrogen-bonded Turntrans-61.9-23.2171.400000112.7E138 V141 R142A47-E138 HydrophobicContact CB-CG 3.99Å; A47-V141 HydrophobicContact CB-CB 4.05Å; A47-V141 HydrophobicContact CB-CG1 3.72Å; A47-V141 WeakPolarHBondContact O-CG1 3.47Å; A47-R142 PolarHBondContact O-NE 3.46Å; A47-R142 PolarHBondContact O-NH1 3.41Å
48F98.2Very high97.7Very high2 Ų237.9 Ų37.91%0.00922%0.224CC..THydrogen-bonded Turntrans-84.3-8.6-180-68.7-86.7000113.7G42 T46 G51 F53 M76 H78 L113 Y137 V141G42-F48 WeakPolarHBondContact CA-O 3.22Å; T46-F48 PolarHBondContact O-N 3Å; T46-F48 PolarHBondContact OG1-N 2.93Å; F48-G51 PolarHBondContact O-N 3.3Å; F48-F53 HydrophobicContact CB-CE2 4.08Å; F48-F53 HydrophobicContact CB-CZ 4.4Å; F48-F53 HydrophobicContact CD1-CE1 4.44Å; F48-F53 AromaticContact CD1-CE2 3.87Å; F48-F53 HydrophobicContact CD1-CE2 3.87Å; F48-F53 AromaticContact CD1-CZ 3.64Å; F48-F53 HydrophobicContact CD1-CZ 3.64Å; F48-F53 HydrophobicContact CE1-CZ 4.49Å; F48-F53 HydrophobicContact CG-CE2 4.44Å; F48-M76 HydrophobicContact CD1-CE 4.47Å; F48-M76 HydrophobicContact CE1-CE 3.94Å; F48-H78 AromaticContact CE2-CD2 3.82Å; F48-H78 HydrophobicContact CZ-CB 4.18Å; F48-H78 AromaticContact CZ-CD2 3.67Å; F48-L113 HydrophobicContact CD1-CD2 4.32Å; F48-L113 HydrophobicContact CD2-CB 4.07Å; F48-L113 WeakPolarHBondContact CD2-O 3.38Å; F48-L113 HydrophobicContact CE1-CD2 4.29Å; F48-L113 VanDerWaalsContact CE2-O 3.27Å; F48-L113 WeakPolarHBondContact CE2-O 3.48Å; F48-L113 HydrophobicContact CG-CB 4.21Å; F48-L113 HydrophobicContact CZ-CD2 4.5Å; F48-Y137 WeakPolarHBondContact CE2-OH 3.33Å; F48-V141 HydrophobicContact CD1-CG1 3.61Å; F48-V141 HydrophobicContact CD2-CG1 3.91Å; F48-V141 HydrophobicContact CE1-CG1 3.57Å; F48-V141 HydrophobicContact CE1-CG2 4.36Å; F48-V141 HydrophobicContact CE2-CG1 3.86Å; F48-V141 HydrophobicContact CE2-CG2 4.17Å; F48-V141 HydrophobicContact CG-CG1 3.78Å; F48-V141 HydrophobicContact CZ-CB 4.44Å; F48-V141 HydrophobicContact CZ-CG1 3.68Å; F48-V141 HydrophobicContact CZ-CG2 3.83Å
49A97.9Very high97.7Very high10 Ų1038.4 Ų38.48%0.08323%0.226CC..THydrogen-bonded Turntrans-47.9141.6-17900000112T46 G51 R142T46-A49 WeakPolarHBondContact O-CB 3.32Å; T46-A49 PolarHBondContact O-N 3.23Å; T46-A49 PolarHBondContact OG1-N 3.29Å; A49-G51 PolarHBondContact O-N 3.17Å; A49-R142 PolarHBondContact O-NH1 2.85Å
50D97.2Very high97.7Very high118 Ų11838.5 Ų38.563%0.63123%0.229SC*.THydrogen-bonded Turntrans68-0.2-173.1-51.8-53.4000115.9W149D50-W149 HydrophobicContact CB-CZ2 4.37Å; D50-W149 PolarHBondContact O-NE1 3.46Å
51G98Very high97.7Very high0 Ų042.9 Ų42.90%025%0.25CC..  trans-72.9147174.100000113.4L41 G42 F48 A49L41-G51 WeakPolarHBondContact CA-O 3.47Å; G42-G51 PolarHBondContact N-O 3.23Å; F48-G51 PolarHBondContact O-N 3.3Å; A49-G51 PolarHBondContact O-N 3.17Å
52I97.9Very high97.7Very high61 Ų6144.9 Ų44.931%0.31326%0.261SS..EExtended strand (participates in β ladder)trans-120.691177-53.8176.2000108.7I39 L41 S148I39-I52 HydrophobicContact CG2-CG2 3.79Å; L41-I52 HydrophobicContact CD2-CG1 4.09Å; L41-I52 HydrophobicContact CD2-CG2 4.37Å; I52-S148 PolarHBondContact N-OG 3.34Å; I52-S148 WeakPolarHBondContact O-CB 3.32Å
53F98Very high97.7Very high0 Ų044.8 Ų44.80%026%0.258CS..EExtended strand (participates in β ladder)trans-95.1120.3-173.5-53.9-68.5000110.8I39 I40 F48 L55 F72 M76 L113 I144 V145I39-F53 CarbonylContact C-O 3.44Å; I39-F53 WeakPolarHBondContact CA-O 3.27Å; I40-F53 PolarHBondContact N-O 2.8Å; I40-F53 PolarHBondContact O-N 3.13Å; F48-F53 HydrophobicContact CB-CE2 4.08Å; F48-F53 HydrophobicContact CB-CZ 4.4Å; F48-F53 HydrophobicContact CD1-CE1 4.44Å; F48-F53 AromaticContact CD1-CE2 3.87Å; F48-F53 HydrophobicContact CD1-CE2 3.87Å; F48-F53 AromaticContact CD1-CZ 3.64Å; F48-F53 HydrophobicContact CD1-CZ 3.64Å; F48-F53 HydrophobicContact CE1-CZ 4.49Å; F48-F53 HydrophobicContact CG-CE2 4.44Å; F53-L55 WeakPolarHBondContact O-CD1 3.44Å; F53-F72 HydrophobicContact CB-CD1 4.01Å; F53-F72 HydrophobicContact CB-CE1 3.74Å; F53-M76 HydrophobicContact CB-SD 4.39Å; F53-M76 HydrophobicContact CD1-CE 4.18Å; F53-M76 HydrophobicContact CD1-SD 3.44Å; F53-M76 WeakPolarHBondContact CD1-SD 3.41Å; F53-M76 HydrophobicContact CE1-CE 4.46Å; F53-M76 HydrophobicContact CE1-SD 3.97Å; F53-M76 HydrophobicContact CG-CE 4.38Å; F53-M76 HydrophobicContact CG-SD 4Å; F53-L113 HydrophobicContact CD2-CD1 4.01Å; F53-L113 HydrophobicContact CE2-CD1 4.31Å; F53-I144 HydrophobicContact CE1-CG2 4.08Å; F53-V145 HydrophobicContact CZ-CG2 4.06Å
54R98Very high97.7Very high60 Ų6044.8 Ų44.823%0.22626%0.258CS..EExtended strand (participates in β ladder)trans-90.5139.7179.3-61.6174.3-171.977.7-5.3109.6A38 V73 S74 S148 N151A38-R54 CarbonylContact O-C 3.58Å; A38-R54 WeakPolarHBondContact O-CA 3.47Å; R54-V73 HydrophobicContact CB-CB 4.24Å; R54-V73 PolarHBondContact O-N 3.04Å; R54-S74 PolarHBondContact N-OG 3.25Å; R54-S74 PolarHBondContact O-N 3.19Å; R54-S148 PolarHBondContact NH1-O 3.05Å; R54-N151 PolarHBondContact NH2-OD1 2.63Å
55L98.3Very high97.8Very high0 Ų043.5 Ų43.50%025%0.252CS..EExtended strand (participates in β ladder)trans-132.6156.8179.6-56.493000110.9A38 I40 F53 V70 R71 F72 I87 L109A38-L55 HydrophobicContact CB-CB 4.26Å; A38-L55 PolarHBondContact N-O 3.37Å; A38-L55 PolarHBondContact O-N 2.99Å; I40-L55 HydrophobicContact CB-CD1 4.12Å; I40-L55 HydrophobicContact CD1-CD1 3.88Å; I40-L55 HydrophobicContact CD1-CD2 4.14Å; I40-L55 HydrophobicContact CG1-CD1 3.77Å; F53-L55 WeakPolarHBondContact O-CD1 3.44Å; L55-V70 HydrophobicContact CD2-CG1 3.86Å; L55-R71 CarbonylContact C-O 3.56Å; L55-R71 WeakPolarHBondContact CA-O 3.37Å; L55-R71 VanDerWaalsContact CB-O 3.31Å; L55-R71 WeakPolarHBondContact CB-O 3.5Å; L55-F72 HydrophobicContact CD1-CD1 4.15Å; L55-F72 HydrophobicContact CD1-CE1 3.92Å; L55-F72 HydrophobicContact CD2-CD1 3.88Å; L55-F72 HydrophobicContact CD2-CD2 4.35Å; L55-F72 HydrophobicContact CD2-CE1 3.69Å; L55-F72 HydrophobicContact CD2-CE2 4.19Å; L55-F72 HydrophobicContact CD2-CG 4.2Å; L55-F72 HydrophobicContact CD2-CZ 3.86Å; L55-F72 HydrophobicContact CG-CD1 3.64Å; L55-F72 HydrophobicContact CG-CE1 3.76Å; L55-F72 HydrophobicContact CG-CG 4.22Å; L55-F72 HydrophobicContact CG-CZ 4.44Å; L55-I87 HydrophobicContact CD2-CD1 4.22Å; L55-L109 HydrophobicContact CD2-CD1 4.15Å
56T98.3Very high97.9Very high33 Ų3342.2 Ų42.220%0.20223%0.226CC..EExtended strand (participates in β ladder)trans-111.7145.5163.551.90000109.8W36 V70 R71 V73W36-T56 WeakPolarHBondContact O-CA 3.35Å; T56-V70 WeakPolarHBondContact O-CA 3.41Å; T56-R71 PolarHBondContact N-O 3.28Å; T56-R71 PolarHBondContact O-N 3.47Å; T56-V73 HydrophobicContact CG2-CG2 3.52Å
57M98.6Very high98Very high0 Ų042.2 Ų42.20%023%0.226CC..EExtended strand (participates in β ladder)trans-126.9125.2170.6-47.7176.27000109.5K35 W36 A38 F59 P68 I69 V70 I102 I105 L106K35-M57 CarbonylContact C-O 3.57Å; K35-M57 WeakPolarHBondContact CA-O 3.26Å; W36-M57 HydrophobicContact CB-CB 4.18Å; W36-M57 PolarHBondContact N-O 3.4Å; W36-M57 PolarHBondContact O-N 3.11Å; A38-M57 HydrophobicContact CB-SD 4.3Å; M57-F59 HydrophobicContact CB-CE2 3.71Å; M57-F59 HydrophobicContact CB-CZ 3.99Å; M57-F59 HydrophobicContact CE-CZ 3.93Å; M57-F59 HydrophobicContact SD-CZ 4.44Å; M57-P68 HydrophobicContact CE-CG 3.97Å; M57-I69 CarbonylContact C-O 3.3Å; M57-I69 WeakPolarHBondContact CA-O 3.08Å; M57-V70 HydrophobicContact CE-CG2 4.06Å; M57-V70 HydrophobicContact CG-CG1 4.25Å; M57-V70 HydrophobicContact CG-CG2 4.27Å; M57-I102 HydrophobicContact CE-CG1 4.47Å; M57-I102 HydrophobicContact CE-CG2 4.26Å; M57-I102 HydrophobicContact SD-CG2 3.93Å; M57-I105 HydrophobicContact CE-CB 4.34Å; M57-I105 HydrophobicContact CE-CD1 4.01Å; M57-I105 HydrophobicContact CE-CG2 3.97Å; M57-L106 HydrophobicContact SD-CD2 4.17Å; M57-L106 HydrophobicContact SD-CG 4.46Å
58E98.6Very high98Very high79 Ų7941.8 Ų41.837%0.36922%0.222SC..EExtended strand (participates in β ladder)trans-116.6123.9179.1-62.5-167.8-128.500110.5K35 P68 I69K35-E58 WeakPolarHBondContact CE-OE2 3.27Å; K35-E58 HydrophobicContact CG-CG 4.31Å; K35-E58 IonicContact NZ-OE2 2.63Å; E58-P68 CarbonylContact O-C 3.56Å; E58-P68 VanDerWaalsContact O-CA 3.28Å; E58-P68 WeakPolarHBondContact O-CA 3.32Å; E58-P68 WeakPolarHBondContact O-CB 3.44Å; E58-I69 HydrophobicContact CB-CB 4.43Å; E58-I69 PolarHBondContact N-O 3.22Å; E58-I69 PolarHBondContact O-N 3.04Å
59F98.4Very high98Very high14 Ų1446.3 Ų46.36%0.06125%0.245CC..  trans-107.2150.3-175.8-58.5-95000110.6L9 M34 W36 M57 Y63 P68 I102L9-F59 HydrophobicContact CD1-CB 3.96Å; L9-F59 HydrophobicContact CD1-CD1 4.45Å; L9-F59 HydrophobicContact CD1-CD2 4.41Å; L9-F59 HydrophobicContact CD1-CG 4.03Å; L9-F59 HydrophobicContact CD2-CD1 3.52Å; L9-F59 HydrophobicContact CD2-CD2 4Å; L9-F59 HydrophobicContact CD2-CE1 3.54Å; L9-F59 HydrophobicContact CD2-CE2 4.05Å; L9-F59 HydrophobicContact CD2-CG 3.75Å; L9-F59 HydrophobicContact CD2-CZ 3.83Å; M34-F59 HydrophobicContact CB-CB 4.49Å; M34-F59 WeakPolarHBondContact O-CD2 3.37Å; M34-F59 PolarHBondContact O-N 3.34Å; M34-F59 HydrophobicContact SD-CB 4.18Å; W36-F59 HydrophobicContact CB-CE2 4.22Å; W36-F59 AromaticContact CD1-CD2 3.65Å; W36-F59 AromaticContact CD1-CE2 3.28Å; W36-F59 HydrophobicContact CD2-CE2 4.31Å; W36-F59 HydrophobicContact CG-CD2 4.47Å; W36-F59 AromaticContact CG-CE2 3.72Å; W36-F59 HydrophobicContact CG-CE2 3.72Å; W36-F59 AromaticContact NE1-CE2 3.71Å; M57-F59 HydrophobicContact CB-CE2 3.71Å; M57-F59 HydrophobicContact CB-CZ 3.99Å; M57-F59 HydrophobicContact CE-CZ 3.93Å; M57-F59 HydrophobicContact SD-CZ 4.44Å; F59-Y63 HydrophobicContact CD1-CD1 4.12Å; F59-Y63 AromaticContact CD1-CD2 3.69Å; F59-Y63 HydrophobicContact CD1-CD2 3.69Å; F59-Y63 HydrophobicContact CD1-CE1 4.34Å; F59-Y63 AromaticContact CD1-CE2 4Å; F59-Y63 HydrophobicContact CD1-CE2 4Å; F59-Y63 AromaticContact CD1-CG 3.8Å; F59-Y63 HydrophobicContact CD1-CG 3.8Å; F59-Y63 HydrophobicContact CE1-CD2 4.12Å; F59-Y63 HydrophobicContact CE1-CE1 4.39Å; F59-Y63 AromaticContact CE1-CE2 3.94Å; F59-Y63 HydrophobicContact CE1-CE2 3.94Å; F59-P68 HydrophobicContact CD1-CB 3.62Å; F59-P68 HydrophobicContact CD1-CG 4.22Å; F59-P68 HydrophobicContact CE1-CB 3.56Å; F59-P68 HydrophobicContact CE1-CG 3.75Å; F59-P68 HydrophobicContact CE2-CB 4.49Å; F59-P68 HydrophobicContact CG-CB 4.17Å; F59-P68 HydrophobicContact CZ-CB 4.01Å; F59-P68 HydrophobicContact CZ-CG 4.29Å; F59-I102 HydrophobicContact CE1-CD1 4.48Å; F59-I102 HydrophobicContact CE1-CG1 4.31Å; F59-I102 HydrophobicContact CZ-CD1 3.82Å; F59-I102 HydrophobicContact CZ-CG1 3.88Å
60T97.9Very high98.1Very high62 Ų6246.2 Ų46.238%0.3824%0.244SC..  trans-108.6168.717270.20000110.6N62 Y63T60-N62 PolarHBondContact O-N 2.89Å; T60-N62 PolarHBondContact OG1-N 2.92Å; T60-Y63 WeakPolarHBondContact O-CB 3.38Å; T60-Y63 PolarHBondContact O-N 3.14Å
61E97.6Very high98.1Very high92 Ų9244.7 Ų44.743%0.4323%0.229SC..THydrogen-bonded Turntrans-62.7-11.2173.7-63.5-65.8170.500113.6T3 R6 M34 Y63T3-E61 WeakPolarHBondContact CB-OE2 3.48Å; T3-E61 WeakPolarHBondContact CG2-OE2 3.5Å; T3-E61 PolarHBondContact OG1-OE2 3.33Å; R6-E61 IonicContact CZ-OE1 3.53Å; R6-E61 IonicContact NH1-OE1 3.66Å; R6-E61 PolarHBondContact NH1-OE1 3.44Å; R6-E61 IonicContact NH1-OE2 2.77Å; R6-E61 PolarHBondContact NH1-OE2 3.23Å; R6-E61 IonicContact NH2-OE1 2.92Å; R6-E61 PolarHBondContact NH2-OE1 2.78Å; M34-E61 HydrophobicContact CE-CG 4.33Å; M34-E61 VanDerWaalsContact CE-OE1 3.29Å; M34-E61 WeakPolarHBondContact CE-OE1 3.36Å; M34-E61 VanDerWaalsContact CE-OE2 3.28Å; M34-E61 WeakPolarHBondContact CE-OE2 3.44Å; E61-Y63 VanDerWaalsContact C-N 3.33Å
62N97.7Very high98.1Very high100 Ų10045.2 Ų45.254%0.53523%0.231SC..THydrogen-bonded Turntrans-84.1-6.5175.4-65.7-37.5000113.1T60 N65 V66T60-N62 PolarHBondContact O-N 2.89Å; T60-N62 PolarHBondContact OG1-N 2.92Å; N62-N65 WeakPolarHBondContact O-CA 3.29Å; N62-N65 VanDerWaalsContact O-CB 3.29Å; N62-N65 WeakPolarHBondContact O-CB 3.32Å; N62-N65 PolarHBondContact O-N 2.83Å; N62-V66 HydrophobicContact CB-CB 3.96Å; N62-V66 HydrophobicContact CB-CG2 3.67Å; N62-V66 PolarHBondContact O-N 2.89Å
63Y98.2Very high98.1Very high4 Ų445.5 Ų45.52%0.01624%0.236CC..THydrogen-bonded Turntrans-62.4133.7176-176.5-104.7000111.2A5 R8 L9 D12 F59 T60 E61 W96 Y100A5-Y63 WeakPolarHBondContact CA-O 3.39Å; A5-Y63 WeakPolarHBondContact CB-O 3.47Å; R8-Y63 HydrophobicContact CB-CD1 4.38Å; R8-Y63 HydrophobicContact CB-CE1 4.3Å; R8-Y63 HydrophobicContact CG-CD1 3.98Å; R8-Y63 HydrophobicContact CG-CE1 3.5Å; L9-Y63 HydrophobicContact CD1-CD1 4.41Å; L9-Y63 HydrophobicContact CD2-CD1 3.73Å; L9-Y63 HydrophobicContact CD2-CE1 3.54Å; L9-Y63 HydrophobicContact CG-CD1 3.77Å; L9-Y63 HydrophobicContact CG-CE1 3.93Å; D12-Y63 PolarHBondContact OD2-OH 2.99Å; F59-Y63 HydrophobicContact CD1-CD1 4.12Å; F59-Y63 AromaticContact CD1-CD2 3.69Å; F59-Y63 HydrophobicContact CD1-CD2 3.69Å; F59-Y63 HydrophobicContact CD1-CE1 4.34Å; F59-Y63 AromaticContact CD1-CE2 4Å; F59-Y63 HydrophobicContact CD1-CE2 4Å; F59-Y63 AromaticContact CD1-CG 3.8Å; F59-Y63 HydrophobicContact CD1-CG 3.8Å; F59-Y63 HydrophobicContact CE1-CD2 4.12Å; F59-Y63 HydrophobicContact CE1-CE1 4.39Å; F59-Y63 AromaticContact CE1-CE2 3.94Å; F59-Y63 HydrophobicContact CE1-CE2 3.94Å; T60-Y63 WeakPolarHBondContact O-CB 3.38Å; T60-Y63 PolarHBondContact O-N 3.14Å; E61-Y63 VanDerWaalsContact C-N 3.33Å; Y63-W96 HydrophobicContact CD2-CZ2 4.31Å; Y63-W96 AromaticContact CE2-CH2 3.87Å; Y63-W96 HydrophobicContact CE2-CH2 3.87Å; Y63-W96 AromaticContact CE2-CZ2 3.89Å; Y63-W96 HydrophobicContact CE2-CZ2 3.89Å; Y63-Y100 PolarHBondContact OH-O 3.02Å
64P97.8Very high98Very high26 Ų2646.2 Ų46.217%0.16924%0.241CC..THydrogen-bonded Turncis-95.112.48.538.4-35.6000115.6R8 V66 W96 P98R8-P64 HydrophobicContact CG-CB 4.42Å; R8-P64 HydrophobicContact CG-CG 4.19Å; P64-V66 VanDerWaalsContact C-N 3.29Å; P64-V66 PolarHBondContact O-N 3.39Å; P64-W96 HydrophobicContact CB-CZ2 4.41Å; P64-W96 VanDerWaalsContact O-CZ2 3.29Å; P64-W96 WeakPolarHBondContact O-CZ2 3.22Å; P64-W96 PolarHBondContact O-NE1 2.98Å; P64-P98 HydrophobicContact CB-CB 4.18Å; P64-P98 HydrophobicContact CG-CB 4.1Å; P64-P98 VanDerWaalsContact O-CA 3.28Å; P64-P98 WeakPolarHBondContact O-CA 3.42Å; P64-P98 WeakPolarHBondContact O-CB 3.44Å
65N97.8Very high97.9Very high120 Ų12049.2 Ų49.264%0.64226%0.256SS*.THydrogen-bonded Turntrans-71.3-27.2179.1-58.8-35.7000112.8N62 W96N62-N65 WeakPolarHBondContact O-CA 3.29Å; N62-N65 VanDerWaalsContact O-CB 3.29Å; N62-N65 WeakPolarHBondContact O-CB 3.32Å; N62-N65 PolarHBondContact O-N 2.83Å; N65-W96 PolarHBondContact O-NE1 3.24Å
66V97.7Very high97.9Very high62 Ų6250.3 Ų50.338%0.37626%0.261SS..SBendtrans-115.7137.7173.7176.70000108.2N62 P64N62-V66 HydrophobicContact CB-CB 3.96Å; N62-V66 HydrophobicContact CB-CG2 3.67Å; N62-V66 PolarHBondContact O-N 2.89Å; P64-V66 VanDerWaalsContact C-N 3.29Å; P64-V66 PolarHBondContact O-N 3.39Å
67P98.2Very high97.9Very high29 Ų2950.1 Ų50.119%0.18826%0.257CS..PPolyproline II helixtrans-62.6155.917725.2-32.8000111.5L92 W96P67-L92 WeakPolarHBondContact CG-O 3.12Å; P67-W96 HydrophobicContact CB-CB 4.37Å; P67-W96 HydrophobicContact CB-CD2 3.55Å; P67-W96 HydrophobicContact CB-CE3 3.64Å; P67-W96 HydrophobicContact CB-CG 3.88Å; P67-W96 HydrophobicContact CB-CZ3 4.15Å; P67-W96 HydrophobicContact CG-CB 4.23Å; P67-W96 HydrophobicContact CG-CD2 4.23Å; P67-W96 HydrophobicContact CG-CG 4.02Å
68P98.5Very high97.8Very high5 Ų550.1 Ų50.13%0.03226%0.257CS..PPolyproline II helixtrans-67.1155.4164.828.8-31.6000111.3M57 E58 F59 V70 I105M57-P68 HydrophobicContact CE-CG 3.97Å; E58-P68 CarbonylContact O-C 3.56Å; E58-P68 VanDerWaalsContact O-CA 3.28Å; E58-P68 WeakPolarHBondContact O-CA 3.32Å; E58-P68 WeakPolarHBondContact O-CB 3.44Å; F59-P68 HydrophobicContact CD1-CB 3.62Å; F59-P68 HydrophobicContact CD1-CG 4.22Å; F59-P68 HydrophobicContact CE1-CB 3.56Å; F59-P68 HydrophobicContact CE1-CG 3.75Å; F59-P68 HydrophobicContact CE2-CB 4.49Å; F59-P68 HydrophobicContact CG-CB 4.17Å; F59-P68 HydrophobicContact CZ-CB 4.01Å; F59-P68 HydrophobicContact CZ-CG 4.29Å; P68-V70 HydrophobicContact CB-CG2 4.43Å; P68-V70 HydrophobicContact CG-CG2 4.08Å; P68-I105 HydrophobicContact CG-CD1 3.72Å
69I98.4Very high97.8Very high97 Ų9746.3 Ų46.350%0.49724%0.24SC..EExtended strand (participates in β ladder)trans-78.7124.8162-62172.1000106.8M57 E58 R71M57-I69 CarbonylContact C-O 3.3Å; M57-I69 WeakPolarHBondContact CA-O 3.08Å; E58-I69 HydrophobicContact CB-CB 4.43Å; E58-I69 PolarHBondContact N-O 3.22Å; E58-I69 PolarHBondContact O-N 3.04Å; I69-R71 HydrophobicContact CG2-CG 4.41Å
70V98.5Very high97.7Very high8 Ų845.9 Ų45.95%0.04824%0.238CC..EExtended strand (participates in β ladder)trans-118.5134.1178-171.60000109.1L55 T56 M57 P68 I87 L92 I105 L109L55-V70 HydrophobicContact CD2-CG1 3.86Å; T56-V70 WeakPolarHBondContact O-CA 3.41Å; M57-V70 HydrophobicContact CE-CG2 4.06Å; M57-V70 HydrophobicContact CG-CG1 4.25Å; M57-V70 HydrophobicContact CG-CG2 4.27Å; P68-V70 HydrophobicContact CB-CG2 4.43Å; P68-V70 HydrophobicContact CG-CG2 4.08Å; V70-I87 HydrophobicContact CB-CD1 4.23Å; V70-I87 HydrophobicContact CG1-CD1 3.82Å; V70-L92 HydrophobicContact CB-CD1 4.04Å; V70-L92 HydrophobicContact CG2-CD1 4.01Å; V70-L92 HydrophobicContact CG2-CD2 4Å; V70-I105 HydrophobicContact CG2-CG2 4.27Å; V70-L109 HydrophobicContact CG1-CD1 3.85Å
71R98.4Very high97.7Very high86 Ų8643 Ų4333%0.32522%0.22SC..EExtended strand (participates in β ladder)trans-136.9142176.5-66.3177.1173.8-85.5-3.3110.6L55 T56 I69 D84 G85L55-R71 CarbonylContact C-O 3.56Å; L55-R71 WeakPolarHBondContact CA-O 3.37Å; L55-R71 VanDerWaalsContact CB-O 3.31Å; L55-R71 WeakPolarHBondContact CB-O 3.5Å; T56-R71 PolarHBondContact N-O 3.28Å; T56-R71 PolarHBondContact O-N 3.47Å; I69-R71 HydrophobicContact CG2-CG 4.41Å; R71-D84 IonicContact CZ-OD2 2.7Å; R71-D84 PolarHBondContact NH1-O 3Å; R71-D84 IonicContact NH1-OD1 2.85Å; R71-D84 IonicContact NH1-OD2 3.53Å; R71-D84 PolarHBondContact NH1-OD2 2.99Å; R71-D84 IonicContact NH2-OD2 3.52Å; R71-G85 CarbonylContact C-O 3.46Å; R71-G85 VanDerWaalsContact CA-O 3.3Å; R71-G85 WeakPolarHBondContact CA-O 3.31Å
72F98.1Very high97.7Very high11 Ų1143.6 Ų43.65%0.04822%0.219CC..EExtended strand (participates in β ladder)trans-71.2130.2161.4-75.5-82.3000109.5F53 L55 S74 M76 V81 G85 I87 L113F53-F72 HydrophobicContact CB-CD1 4.01Å; F53-F72 HydrophobicContact CB-CE1 3.74Å; L55-F72 HydrophobicContact CD1-CD1 4.15Å; L55-F72 HydrophobicContact CD1-CE1 3.92Å; L55-F72 HydrophobicContact CD2-CD1 3.88Å; L55-F72 HydrophobicContact CD2-CD2 4.35Å; L55-F72 HydrophobicContact CD2-CE1 3.69Å; L55-F72 HydrophobicContact CD2-CE2 4.19Å; L55-F72 HydrophobicContact CD2-CG 4.2Å; L55-F72 HydrophobicContact CD2-CZ 3.86Å; L55-F72 HydrophobicContact CG-CD1 3.64Å; L55-F72 HydrophobicContact CG-CE1 3.76Å; L55-F72 HydrophobicContact CG-CG 4.22Å; L55-F72 HydrophobicContact CG-CZ 4.44Å; F72-S74 WeakPolarHBondContact CB-O 3.26Å; F72-M76 HydrophobicContact CB-CG 3.6Å; F72-M76 HydrophobicContact CD1-CE 4.28Å; F72-M76 HydrophobicContact CD1-CG 3.8Å; F72-M76 HydrophobicContact CD1-SD 3.75Å; F72-M76 HydrophobicContact CD2-CG 3.86Å; F72-M76 HydrophobicContact CE1-CE 4Å; F72-M76 HydrophobicContact CE1-CG 4.43Å; F72-M76 HydrophobicContact CE1-SD 4.02Å; F72-M76 HydrophobicContact CE2-CE 4.36Å; F72-M76 HydrophobicContact CE2-CG 4.47Å; F72-M76 HydrophobicContact CG-CG 3.48Å; F72-M76 VanDerWaalsContact CG-CG 3.48Å; F72-M76 HydrophobicContact CG-SD 4.08Å; F72-M76 HydrophobicContact CZ-CE 4.04Å; F72-V81 HydrophobicContact CD2-CG1 3.81Å; F72-V81 HydrophobicContact CD2-CG2 3.9Å; F72-V81 HydrophobicContact CE2-CG1 4.48Å; F72-V81 HydrophobicContact CE2-CG2 3.71Å; F72-G85 PolarHBondContact N-O 2.92Å; F72-I87 HydrophobicContact CD2-CD1 3.68Å; F72-I87 HydrophobicContact CD2-CG1 3.81Å; F72-I87 HydrophobicContact CE2-CD1 3.57Å; F72-I87 HydrophobicContact CE2-CG1 3.93Å; F72-L113 HydrophobicContact CZ-CD2 4.3Å
73V97.2Very high97.6Very high67 Ų6745.1 Ų45.141%0.40624%0.238SC..SBendtrans-86.4-40.2166.91800000109.1R54 T56 V155R54-V73 HydrophobicContact CB-CB 4.24Å; R54-V73 PolarHBondContact O-N 3.04Å; T56-V73 HydrophobicContact CG2-CG2 3.52Å; V73-V155 HydrophobicContact CG1-CG2 4.22Å
74S96.3Very high97.5Very high15 Ų1549.1 Ų49.111%0.10526%0.259CS..SBendtrans-58.1139.8168.2-69.10000109.9R54 F72 M76R54-S74 PolarHBondContact N-OG 3.25Å; R54-S74 PolarHBondContact O-N 3.19Å; F72-S74 WeakPolarHBondContact CB-O 3.26Å; S74-M76 PolarHBondContact O-N 3.48Å
75K96.1Very high97.5Very high124 Ų12448.1 Ų48.154%0.53925%0.254SS..  trans-58.3139.7166.9-174.2-176.4169.9-165.20109.3I144 E147K75-I144 HydrophobicContact CB-CD1 4.42Å; K75-I144 HydrophobicContact CD-CD1 3.71Å; K75-I144 HydrophobicContact CG-CD1 3.84Å; K75-I144 WeakPolarHBondContact O-CG2 3.25Å; K75-E147 WeakPolarHBondContact CD-OE1 3.39Å; K75-E147 WeakPolarHBondContact CD-OE2 3.35Å; K75-E147 IonicContact NZ-OE1 3.85Å; K75-E147 IonicContact NZ-OE2 3.62Å; K75-E147 PolarHBondContact NZ-OE2 3.4Å
76M97.7Very high97.5Very high22 Ų2243.6 Ų43.611%0.10823%0.232CC..  trans-128.5145-177.3-67.4-57.8-70.100111.4F48 F53 F72 S74 V81 L113F48-M76 HydrophobicContact CD1-CE 4.47Å; F48-M76 HydrophobicContact CE1-CE 3.94Å; F53-M76 HydrophobicContact CB-SD 4.39Å; F53-M76 HydrophobicContact CD1-CE 4.18Å; F53-M76 HydrophobicContact CD1-SD 3.44Å; F53-M76 WeakPolarHBondContact CD1-SD 3.41Å; F53-M76 HydrophobicContact CE1-CE 4.46Å; F53-M76 HydrophobicContact CE1-SD 3.97Å; F53-M76 HydrophobicContact CG-CE 4.38Å; F53-M76 HydrophobicContact CG-SD 4Å; F72-M76 HydrophobicContact CB-CG 3.6Å; F72-M76 HydrophobicContact CD1-CE 4.28Å; F72-M76 HydrophobicContact CD1-CG 3.8Å; F72-M76 HydrophobicContact CD1-SD 3.75Å; F72-M76 HydrophobicContact CD2-CG 3.86Å; F72-M76 HydrophobicContact CE1-CE 4Å; F72-M76 HydrophobicContact CE1-CG 4.43Å; F72-M76 HydrophobicContact CE1-SD 4.02Å; F72-M76 HydrophobicContact CE2-CE 4.36Å; F72-M76 HydrophobicContact CE2-CG 4.47Å; F72-M76 HydrophobicContact CG-CG 3.48Å; F72-M76 VanDerWaalsContact CG-CG 3.48Å; F72-M76 HydrophobicContact CG-SD 4.08Å; F72-M76 HydrophobicContact CZ-CE 4.04Å; S74-M76 PolarHBondContact O-N 3.48Å; M76-V81 HydrophobicContact CB-CB 4.12Å; M76-V81 HydrophobicContact CB-CG1 3.69Å; M76-V81 HydrophobicContact CG-CG1 4.02Å; M76-L113 HydrophobicContact CE-CD2 3.61Å
77F97.8Very high97.4Very high29 Ų2941.3 Ų41.313%0.12722%0.217CC..  trans-124.890.7165.3-170-101.8000108.4T125 A126 L129 Y137 Q140 V141 I144F77-T125 HydrophobicContact CE2-CG2 4.46Å; F77-T125 HydrophobicContact CZ-CG2 4.37Å; F77-A126 HydrophobicContact CD1-CB 4.18Å; F77-A126 HydrophobicContact CD2-CB 4.38Å; F77-A126 HydrophobicContact CE1-CB 3.83Å; F77-A126 HydrophobicContact CE2-CB 4.04Å; F77-A126 HydrophobicContact CG-CB 4.44Å; F77-A126 HydrophobicContact CZ-CB 3.75Å; F77-L129 HydrophobicContact CE1-CD1 4.24Å; F77-L129 HydrophobicContact CZ-CD1 3.93Å; F77-Y137 HydrophobicContact CD1-CD2 4.23Å; F77-Y137 HydrophobicContact CD1-CE2 4.18Å; F77-Y137 AromaticContact CE1-CD2 3.8Å; F77-Y137 HydrophobicContact CE1-CD2 3.8Å; F77-Y137 HydrophobicContact CE1-CE2 4.14Å; F77-Q140 HydrophobicContact CD1-CB 3.51Å; F77-Q140 HydrophobicContact CD1-CG 4.43Å; F77-Q140 HydrophobicContact CE1-CB 3.57Å; F77-Q140 HydrophobicContact CE1-CG 4.04Å; F77-Q140 HydrophobicContact CG-CB 4.09Å; F77-Q140 HydrophobicContact CZ-CB 4.21Å; F77-Q140 HydrophobicContact CZ-CG 4.27Å; F77-V141 HydrophobicContact CD1-CG2 4.21Å; F77-I144 HydrophobicContact CB-CG1 3.78Å
78H97.8Very high97.3Very high0 Ų041.3 Ų41.30%022%0.218CC..  trans-149138.4-173.2-175.9-87.4000110.5F48 N80 V81 L112 N123F48-H78 AromaticContact CE2-CD2 3.82Å; F48-H78 HydrophobicContact CZ-CB 4.18Å; F48-H78 AromaticContact CZ-CD2 3.67Å; H78-N80 PolarHBondContact CE1-OD1 3.46Å; H78-N80 PolarHBondContact ND1-N 2.98Å; H78-N80 PolarHBondContact O-N 3.31Å; H78-N80 VanDerWaalsContact O-N 3.09Å; H78-V81 HydrophobicContact CB-CB 4.1Å; H78-V81 HydrophobicContact CB-CG2 3.85Å; H78-V81 PolarHBondContact O-N 2.91Å; H78-V81 VanDerWaalsContact O-N 3.07Å; H78-L112 PolarHBondContact NE2-O 3.01Å; H78-N123 WeakPolarHBondContact O-CB 3.31Å
79P97.5Very high97.1Very high0 Ų041.9 Ų41.90%022%0.22CC..THydrogen-bonded Turntrans-52.7-35.3-177.5-30.337.4000114.3P116 P121 A122 N123 A126 A127 F130 Y137P79-P116 HydrophobicContact CB-CB 4.06Å; P79-P116 HydrophobicContact CG-CB 3.7Å; P79-P116 HydrophobicContact CG-CG 4.26Å; P79-P121 CarbonylContact O-C 3.37Å; P79-P121 WeakPolarHBondContact O-CA 3.12Å; P79-A122 PolarHBondContact O-N 2.86Å; P79-N123 PolarHBondContact O-N 2.89Å; P79-A126 HydrophobicContact CG-CB 4.28Å; P79-A127 HydrophobicContact CB-CB 4.1Å; P79-F130 HydrophobicContact CG-CB 4.36Å; P79-Y137 HydrophobicContact CG-CE2 4.47Å
80N97.7Very high96.8Very high4 Ų441 Ų412%0.02122%0.216CC..THydrogen-bonded Turntrans-100.613.8-177.9-52.9104.9000115.2H78 C88 L112 N117H78-N80 PolarHBondContact CE1-OD1 3.46Å; H78-N80 PolarHBondContact ND1-N 2.98Å; H78-N80 PolarHBondContact O-N 3.31Å; H78-N80 VanDerWaalsContact O-N 3.09Å; N80-C88 PolarHBondContact O-N 2.85Å; N80-L112 HydrophobicContact CB-CD1 4.3Å; N80-L112 HydrophobicContact CB-CD2 3.99Å; N80-L112 HydrophobicContact CB-CG 4.4Å; N80-N117 PolarHBondContact ND2-O 3.15Å; N80-N117 PolarHBondContact OD1-N 2.96Å
81V97.9Very high96.6Very high2 Ų241.1 Ų41.11%0.01222%0.217CC..BIsolated β-bridgetrans-119.8126.3176.4-175.70000110.2F72 M76 H78 N123F72-V81 HydrophobicContact CD2-CG1 3.81Å; F72-V81 HydrophobicContact CD2-CG2 3.9Å; F72-V81 HydrophobicContact CE2-CG1 4.48Å; F72-V81 HydrophobicContact CE2-CG2 3.71Å; M76-V81 HydrophobicContact CB-CB 4.12Å; M76-V81 HydrophobicContact CB-CG1 3.69Å; M76-V81 HydrophobicContact CG-CG1 4.02Å; H78-V81 HydrophobicContact CB-CB 4.1Å; H78-V81 HydrophobicContact CB-CG2 3.85Å; H78-V81 PolarHBondContact O-N 2.91Å; H78-V81 VanDerWaalsContact O-N 3.07Å; V81-N123 WeakPolarHBondContact O-CB 3.19Å
82Y97.3Very high96.5Very high105 Ų10538.1 Ų38.141%0.41221%0.207SC..  trans-73.3163.2176.2-68.2-81.8000111.4D84 G85 S86 C88 A122Y82-D84 VanDerWaalsContact CB-OD1 3.31Å; Y82-D84 WeakPolarHBondContact CB-OD1 3.34Å; Y82-D84 PolarHBondContact O-N 3.26Å; Y82-G85 PolarHBondContact O-N 2.71Å; Y82-S86 WeakPolarHBondContact CB-OG 3.37Å; Y82-S86 WeakPolarHBondContact CD2-O 3.37Å; Y82-S86 WeakPolarHBondContact CD2-OG 3.49Å; Y82-S86 PolarHBondContact N-O 2.91Å; Y82-C88 HydrophobicContact CE2-CB 4.13Å; Y82-A122 HydrophobicContact CD1-CB 3.75Å; Y82-A122 WeakPolarHBondContact CD1-O 3.32Å; Y82-A122 HydrophobicContact CD2-CB 3.64Å; Y82-A122 HydrophobicContact CE1-CB 3.69Å; Y82-A122 HydrophobicContact CE2-CB 3.58Å; Y82-A122 HydrophobicContact CG-CB 3.73Å
83S95.3Very high96.3Very high132 Ų13242.3 Ų42.392%0.92323%0.227SC*.THydrogen-bonded Turntrans-62.1-22.9178.754.20000114.2G85S83-G85 VanDerWaalsContact C-N 3.29Å
84D96.4Very high96.1Very high87 Ų8745.2 Ų45.247%0.46524%0.24SC..THydrogen-bonded Turntrans-90.111175.576.8-18.5000113.3R71 Y82 S86R71-D84 IonicContact CZ-OD2 2.7Å; R71-D84 PolarHBondContact NH1-O 3Å; R71-D84 IonicContact NH1-OD1 2.85Å; R71-D84 IonicContact NH1-OD2 3.53Å; R71-D84 PolarHBondContact NH1-OD2 2.99Å; R71-D84 IonicContact NH2-OD2 3.52Å; Y82-D84 VanDerWaalsContact CB-OD1 3.31Å; Y82-D84 WeakPolarHBondContact CB-OD1 3.34Å; Y82-D84 PolarHBondContact O-N 3.26Å; D84-S86 PolarHBondContact O-N 3.47Å; D84-S86 VanDerWaalsContact OD1-CB 3.28Å; D84-S86 WeakPolarHBondContact OD1-CB 3.5Å; D84-S86 PolarHBondContact OD1-N 3.38Å; D84-S86 PolarHBondContact OD1-OG 2.98Å
85G97.6Very high96.1Very high6 Ų649.6 Ų49.66%0.06226%0.26CS..SBendtrans77.3-3.9-179.300000114.9R71 F72 Y82 S83R71-G85 CarbonylContact C-O 3.46Å; R71-G85 VanDerWaalsContact CA-O 3.3Å; R71-G85 WeakPolarHBondContact CA-O 3.31Å; F72-G85 PolarHBondContact N-O 2.92Å; Y82-G85 PolarHBondContact O-N 2.71Å; S83-G85 VanDerWaalsContact C-N 3.29Å
86S97.2Very high96.1Very high25 Ų2545.3 Ų45.318%0.17524%0.241CC..BIsolated β-bridgetrans-65.4154173.8620000111.6Y82 D84Y82-S86 WeakPolarHBondContact CB-OG 3.37Å; Y82-S86 WeakPolarHBondContact CD2-O 3.37Å; Y82-S86 WeakPolarHBondContact CD2-OG 3.49Å; Y82-S86 PolarHBondContact N-O 2.91Å; D84-S86 PolarHBondContact O-N 3.47Å; D84-S86 VanDerWaalsContact OD1-CB 3.28Å; D84-S86 WeakPolarHBondContact OD1-CB 3.5Å; D84-S86 PolarHBondContact OD1-N 3.38Å; D84-S86 PolarHBondContact OD1-OG 2.98Å
87I96.5Very high96.2Very high14 Ų1446.1 Ų46.17%0.07225%0.249CC..BIsolated β-bridgetrans-121.3129.4-166.2-50.8169.5000110.1L55 V70 F72 L89 L109 L112L55-I87 HydrophobicContact CD2-CD1 4.22Å; V70-I87 HydrophobicContact CB-CD1 4.23Å; V70-I87 HydrophobicContact CG1-CD1 3.82Å; F72-I87 HydrophobicContact CD2-CD1 3.68Å; F72-I87 HydrophobicContact CD2-CG1 3.81Å; F72-I87 HydrophobicContact CE2-CD1 3.57Å; F72-I87 HydrophobicContact CE2-CG1 3.93Å; I87-L89 HydrophobicContact CG2-CB 4.06Å; I87-L89 PolarHBondContact O-N 3.34Å; I87-L109 HydrophobicContact CB-CD2 4.47Å; I87-L109 HydrophobicContact CD1-CD1 4.17Å; I87-L109 HydrophobicContact CD1-CD2 3.68Å; I87-L109 HydrophobicContact CG2-CD2 3.68Å; I87-L112 HydrophobicContact CG2-CD2 4.15Å
88C94.7Very high96.2Very high28 Ų2847.5 Ų47.519%0.18926%0.26CS..  trans-91.388.6170.3-168.70000109.3N80 Y82 A122N80-C88 PolarHBondContact O-N 2.85Å; Y82-C88 HydrophobicContact CE2-CB 4.13Å; C88-A122 HydrophobicContact CB-CB 4.09Å
89L94.1Very high96.1Very high18 Ų1851.3 Ų51.39%0.09429%0.287CS..  trans-133.2127.1175.4178.861.7000109I87 I91 L92 L109 L112I87-L89 HydrophobicContact CG2-CB 4.06Å; I87-L89 PolarHBondContact O-N 3.34Å; L89-I91 VanDerWaalsContact C-N 3.32Å; L89-I91 HydrophobicContact CD1-CG1 4.4Å; L89-I91 HydrophobicContact CD2-CD1 4.02Å; L89-I91 HydrophobicContact CD2-CG1 3.54Å; L89-I91 HydrophobicContact CG-CG1 3.65Å; L89-I91 PolarHBondContact O-N 3.42Å; L89-L92 HydrophobicContact CB-CD1 4.35Å; L89-L92 HydrophobicContact CB-CG 4.49Å; L89-L92 HydrophobicContact CD2-CG 4.47Å; L89-L92 WeakPolarHBondContact O-CB 3.33Å; L89-L92 PolarHBondContact O-N 3.01Å; L89-L109 HydrophobicContact CD2-CD2 3.63Å; L89-L109 HydrophobicContact CD2-CG 4.03Å; L89-L112 HydrophobicContact CB-CD2 4.34Å; L89-L112 HydrophobicContact CD1-CD2 4.28Å
90D92.9Very high96.1Very high77 Ų7754.4 Ų54.441%0.41230%0.299SS..G310 helixtrans-59.7-37.3-173.564.5-21.1000113.4L92 Q93 N94 M95D90-L92 PolarHBondContact O-N 3.47Å; D90-Q93 CarbonylContact O-C 3.58Å; D90-Q93 VanDerWaalsContact O-C 3.3Å; D90-Q93 WeakPolarHBondContact O-CA 3.48Å; D90-Q93 PolarHBondContact O-N 2.94Å; D90-N94 PolarHBondContact O-N 3.23Å; D90-M95 HydrophobicContact CB-CB 4.12Å; D90-M95 HydrophobicContact CB-CG 3.88Å; D90-M95 WeakPolarHBondContact O-CA 3.39Å; D90-M95 WeakPolarHBondContact O-CB 3.41Å; D90-M95 PolarHBondContact O-N 3.08Å
91I95Very high96.1Very high12 Ų1255.5 Ų55.56%0.06231%0.305CS..G310 helixtrans-65.7-21.4176.767.7151.7000112.4L89 Q93 M95 W96 Y100L89-I91 VanDerWaalsContact C-N 3.32Å; L89-I91 HydrophobicContact CD1-CG1 4.4Å; L89-I91 HydrophobicContact CD2-CD1 4.02Å; L89-I91 HydrophobicContact CD2-CG1 3.54Å; L89-I91 HydrophobicContact CG-CG1 3.65Å; L89-I91 PolarHBondContact O-N 3.42Å; I91-Q93 VanDerWaalsContact C-N 3.27Å; I91-M95 HydrophobicContact CG2-CB 4.46Å; I91-W96 WeakPolarHBondContact O-CA 3.46Å; I91-W96 WeakPolarHBondContact O-CB 3.41Å; I91-W96 VanDerWaalsContact O-CE3 3.28Å; I91-W96 PolarHBondContact O-N 3.01Å; I91-Y100 HydrophobicContact CB-CE2 3.98Å; I91-Y100 HydrophobicContact CG2-CE2 4.1Å
92L95.5Very high96Very high22 Ų2255.5 Ų55.512%0.11531%0.305CS..G310 helixtrans-88.12.9172.2-64.6177.5000112.4P67 V70 L89 D90 I105 L109P67-L92 WeakPolarHBondContact CG-O 3.12Å; V70-L92 HydrophobicContact CB-CD1 4.04Å; V70-L92 HydrophobicContact CG2-CD1 4.01Å; V70-L92 HydrophobicContact CG2-CD2 4Å; L89-L92 HydrophobicContact CB-CD1 4.35Å; L89-L92 HydrophobicContact CB-CG 4.49Å; L89-L92 HydrophobicContact CD2-CG 4.47Å; L89-L92 WeakPolarHBondContact O-CB 3.33Å; L89-L92 PolarHBondContact O-N 3.01Å; D90-L92 PolarHBondContact O-N 3.47Å; L92-I105 HydrophobicContact CD2-CG2 3.95Å; L92-L109 HydrophobicContact CD1-CD2 4.44Å
93Q93.2Very high96.1Very high100 Ų10050.8 Ų50.847%0.46729%0.288SS..THydrogen-bonded Turntrans-131.5-115.8-175.5-59.3-179.820.300110.2D90 I91 M95 W96D90-Q93 CarbonylContact O-C 3.58Å; D90-Q93 VanDerWaalsContact O-C 3.3Å; D90-Q93 WeakPolarHBondContact O-CA 3.48Å; D90-Q93 PolarHBondContact O-N 2.94Å; I91-Q93 VanDerWaalsContact C-N 3.27Å; Q93-M95 VanDerWaalsContact C-N 3.34Å; Q93-M95 PolarHBondContact O-N 3.41Å; Q93-W96 WeakPolarHBondContact O-CB 3.37Å; Q93-W96 PolarHBondContact O-N 3.34Å
94N93.4Very high96.1Very high127 Ų12745.9 Ų45.968%0.67926%0.256SS*.THydrogen-bonded Turntrans-75.3-19.1-173.160.2-63.6000114D90D90-N94 PolarHBondContact O-N 3.23Å
95M95.6Very high96.2Very high107 Ų10741.7 Ų41.753%0.52723%0.233SC..THydrogen-bonded Turntrans-98.312.6176.9-61.3-64.3-72.300112.5D90 I91 Q93D90-M95 HydrophobicContact CB-CB 4.12Å; D90-M95 HydrophobicContact CB-CG 3.88Å; D90-M95 WeakPolarHBondContact O-CA 3.39Å; D90-M95 WeakPolarHBondContact O-CB 3.41Å; D90-M95 PolarHBondContact O-N 3.08Å; I91-M95 HydrophobicContact CG2-CB 4.46Å; Q93-M95 VanDerWaalsContact C-N 3.34Å; Q93-M95 PolarHBondContact O-N 3.41Å
96W97.8Very high96.2Very high34 Ų3441.4 Ų41.413%0.12923%0.23CC..  trans-61.1137.7176174.2-106.7000112Y63 P64 N65 P67 I91 Q93 Y100 I105Y63-W96 HydrophobicContact CD2-CZ2 4.31Å; Y63-W96 AromaticContact CE2-CH2 3.87Å; Y63-W96 HydrophobicContact CE2-CH2 3.87Å; Y63-W96 AromaticContact CE2-CZ2 3.89Å; Y63-W96 HydrophobicContact CE2-CZ2 3.89Å; P64-W96 HydrophobicContact CB-CZ2 4.41Å; P64-W96 VanDerWaalsContact O-CZ2 3.29Å; P64-W96 WeakPolarHBondContact O-CZ2 3.22Å; P64-W96 PolarHBondContact O-NE1 2.98Å; N65-W96 PolarHBondContact O-NE1 3.24Å; P67-W96 HydrophobicContact CB-CB 4.37Å; P67-W96 HydrophobicContact CB-CD2 3.55Å; P67-W96 HydrophobicContact CB-CE3 3.64Å; P67-W96 HydrophobicContact CB-CG 3.88Å; P67-W96 HydrophobicContact CB-CZ3 4.15Å; P67-W96 HydrophobicContact CG-CB 4.23Å; P67-W96 HydrophobicContact CG-CD2 4.23Å; P67-W96 HydrophobicContact CG-CG 4.02Å; I91-W96 WeakPolarHBondContact O-CA 3.46Å; I91-W96 WeakPolarHBondContact O-CB 3.41Å; I91-W96 VanDerWaalsContact O-CE3 3.28Å; I91-W96 PolarHBondContact O-N 3.01Å; Q93-W96 WeakPolarHBondContact O-CB 3.37Å; Q93-W96 PolarHBondContact O-N 3.34Å; W96-Y100 HydrophobicContact CD2-CD2 4.48Å; W96-Y100 AromaticContact CE3-CD2 3.8Å; W96-Y100 HydrophobicContact CE3-CD2 3.8Å; W96-Y100 HydrophobicContact CE3-CG 4.46Å; W96-Y100 HydrophobicContact CZ3-CD2 4Å; W96-Y100 HydrophobicContact CZ3-CG 4.21Å; W96-I105 HydrophobicContact CH2-CD1 3.99Å; W96-I105 HydrophobicContact CZ3-CD1 3.77Å; W96-I105 HydrophobicContact CZ3-CG1 4.04Å
97S98Very high96.2Very high40 Ų4042.6 Ų42.628%0.2824%0.237SC..  trans-129.2135.4172.9-178.60000110S99 Y100S97-S99 WeakPolarHBondContact CB-OG 3.41Å; S97-S99 PolarHBondContact O-N 2.84Å; S97-S99 PolarHBondContact OG-N 2.83Å; S97-S99 PolarHBondContact OG-OG 3.36Å; S97-Y100 WeakPolarHBondContact O-CB 3.46Å; S97-Y100 VanDerWaalsContact O-CD2 3.31Å; S97-Y100 WeakPolarHBondContact O-CD2 3.44Å; S97-Y100 PolarHBondContact O-N 3Å
98P97.7Very high96.3Very high57 Ų5743.9 Ų43.937%0.3725%0.247SC..THydrogen-bonded Turntrans-60.7-9172.6-22.433.2000114.7P64 Y100P64-P98 HydrophobicContact CB-CB 4.18Å; P64-P98 HydrophobicContact CG-CB 4.1Å; P64-P98 VanDerWaalsContact O-CA 3.28Å; P64-P98 WeakPolarHBondContact O-CA 3.42Å; P64-P98 WeakPolarHBondContact O-CB 3.44Å; P98-Y100 VanDerWaalsContact C-N 3.35Å
99S97.2Very high96.4Very high80 Ų8042.6 Ų42.656%0.55924%0.238SC*.THydrogen-bonded Turntrans-72.9-26.7172.466.40000112.9S97S97-S99 WeakPolarHBondContact CB-OG 3.41Å; S97-S99 PolarHBondContact O-N 2.84Å; S97-S99 PolarHBondContact OG-N 2.83Å; S97-S99 PolarHBondContact OG-OG 3.36Å
100Y97.7Very high96.6Very high66 Ų6643.3 Ų43.326%0.25924%0.241SC..  trans-63.4139.5177.4-67.4-57.1000111R8 Y63 I91 W96 S97 P98 A104R8-Y100 PolarHBondContact NH2-O 3.35Å; R8-Y100 VanDerWaalsContact NH2-O 3.17Å; Y63-Y100 PolarHBondContact OH-O 3.02Å; I91-Y100 HydrophobicContact CB-CE2 3.98Å; I91-Y100 HydrophobicContact CG2-CE2 4.1Å; W96-Y100 HydrophobicContact CD2-CD2 4.48Å; W96-Y100 AromaticContact CE3-CD2 3.8Å; W96-Y100 HydrophobicContact CE3-CD2 3.8Å; W96-Y100 HydrophobicContact CE3-CG 4.46Å; W96-Y100 HydrophobicContact CZ3-CD2 4Å; W96-Y100 HydrophobicContact CZ3-CG 4.21Å; S97-Y100 WeakPolarHBondContact O-CB 3.46Å; S97-Y100 VanDerWaalsContact O-CD2 3.31Å; S97-Y100 WeakPolarHBondContact O-CD2 3.44Å; S97-Y100 PolarHBondContact O-N 3Å; P98-Y100 VanDerWaalsContact C-N 3.35Å; Y100-A104 HydrophobicContact CD1-CB 4.03Å
101N96.2Very high96.7Very high27 Ų2743.1 Ų43.114%0.14425%0.246CC..  trans-118.9171.7173.359.657.5000108.8D12 K15 G103 A104 I105D12-N101 WeakPolarHBondContact OD2-CA 3.35Å; D12-N101 WeakPolarHBondContact OD2-CB 3.33Å; K15-N101 PolarHBondContact NZ-ND2 2.89Å; K15-N101 VanDerWaalsContact NZ-ND2 3.17Å; N101-G103 VanDerWaalsContact C-N 3.3Å; N101-G103 PolarHBondContact O-N 3.09Å; N101-G103 PolarHBondContact OD1-N 3.07Å; N101-A104 PolarHBondContact O-N 3.14Å; N101-A104 VanDerWaalsContact O-N 3.09Å; N101-A104 PolarHBondContact OD1-N 3.08Å; N101-I105 WeakPolarHBondContact O-CG1 3.4Å; N101-I105 PolarHBondContact O-N 3.47Å
102I97.8Very high96.8Very high1 Ų143.5 Ų43.51%0.00525%0.248CC..Hα-helixtrans-53.2-46.3-178.3-63.8175.5000112.3L9 D12 I16 A26 W36 M57 F59 A104 I105 L106L9-I102 HydrophobicContact CD2-CD1 4.22Å; D12-I102 HydrophobicContact CB-CD1 3.9Å; D12-I102 HydrophobicContact CB-CG1 4.09Å; D12-I102 PolarHBondContact OD2-N 2.86Å; I16-I102 HydrophobicContact CD1-CG2 4.16Å; A26-I102 HydrophobicContact CB-CG2 3.67Å; W36-I102 HydrophobicContact CD2-CD1 3.85Å; W36-I102 HydrophobicContact CE3-CD1 3.69Å; W36-I102 HydrophobicContact CH2-CD1 3.23Å; W36-I102 HydrophobicContact CZ2-CD1 3.46Å; W36-I102 VanDerWaalsContact CZ2-CD1 3.46Å; W36-I102 HydrophobicContact CZ3-CD1 3.39Å; W36-I102 HydrophobicContact CZ3-CG2 4.49Å; M57-I102 HydrophobicContact CE-CG1 4.47Å; M57-I102 HydrophobicContact CE-CG2 4.26Å; M57-I102 HydrophobicContact SD-CG2 3.93Å; F59-I102 HydrophobicContact CE1-CD1 4.48Å; F59-I102 HydrophobicContact CE1-CG1 4.31Å; F59-I102 HydrophobicContact CZ-CD1 3.82Å; F59-I102 HydrophobicContact CZ-CG1 3.88Å; I102-A104 VanDerWaalsContact C-N 3.35Å; I102-A104 PolarHBondContact O-N 3.42Å; I102-I105 PolarHBondContact O-N 2.91Å; I102-L106 HydrophobicContact CG2-CD1 3.94Å; I102-L106 HydrophobicContact CG2-CG 4.45Å; I102-L106 WeakPolarHBondContact O-CG 3.43Å; I102-L106 PolarHBondContact O-N 2.79Å
103G97.5Very high96.8Very high6 Ų642.7 Ų42.76%0.06224%0.244CC..Hα-helixtrans-60.6-41.9178.200000112.9N101 L106 T107N101-G103 VanDerWaalsContact C-N 3.3Å; N101-G103 PolarHBondContact O-N 3.09Å; N101-G103 PolarHBondContact OD1-N 3.07Å; G103-L106 PolarHBondContact O-N 3.46Å; G103-T107 WeakPolarHBondContact O-CB 3.31Å; G103-T107 PolarHBondContact O-N 3.33Å; G103-T107 PolarHBondContact O-OG1 2.93Å
104A97Very high96.8Very high29 Ų2939.8 Ų39.824%0.2424%0.241CC..Hα-helixtrans-64.7-42.6176.900000112.1Y100 N101 I102 T107 S108Y100-A104 HydrophobicContact CD1-CB 4.03Å; N101-A104 PolarHBondContact O-N 3.14Å; N101-A104 VanDerWaalsContact O-N 3.09Å; N101-A104 PolarHBondContact OD1-N 3.08Å; I102-A104 VanDerWaalsContact C-N 3.35Å; I102-A104 PolarHBondContact O-N 3.42Å; A104-T107 PolarHBondContact O-N 3.17Å; A104-S108 PolarHBondContact O-N 3.28Å; A104-S108 PolarHBondContact O-OG 2.95Å
105I98Very high96.8Very high0 Ų040 Ų400%024%0.241CC..Hα-helixtrans-58.9-50.2176.4-65.7165000110.3M57 P68 V70 L92 W96 N101 I102 T107 S108 L109M57-I105 HydrophobicContact CE-CB 4.34Å; M57-I105 HydrophobicContact CE-CD1 4.01Å; M57-I105 HydrophobicContact CE-CG2 3.97Å; P68-I105 HydrophobicContact CG-CD1 3.72Å; V70-I105 HydrophobicContact CG2-CG2 4.27Å; L92-I105 HydrophobicContact CD2-CG2 3.95Å; W96-I105 HydrophobicContact CH2-CD1 3.99Å; W96-I105 HydrophobicContact CZ3-CD1 3.77Å; W96-I105 HydrophobicContact CZ3-CG1 4.04Å; N101-I105 WeakPolarHBondContact O-CG1 3.4Å; N101-I105 PolarHBondContact O-N 3.47Å; I102-I105 PolarHBondContact O-N 2.91Å; I105-T107 VanDerWaalsContact C-N 3.34Å; I105-T107 PolarHBondContact O-N 3.3Å; I105-S108 PolarHBondContact O-N 2.86Å; I105-L109 HydrophobicContact CG2-CD1 3.97Å; I105-L109 WeakPolarHBondContact O-CG 3.35Å; I105-L109 PolarHBondContact O-N 3.36Å
106L98.3Very high96.6Very high0 Ų035.2 Ų35.20%022%0.219CC..Hα-helixtrans-67-35.7-178.3-65.2174.5000112.4I16 V24 A26 A38 I40 M57 I102 G103 L109 Q110I16-L106 HydrophobicContact CD1-CD1 4.31Å; V24-L106 HydrophobicContact CB-CB 3.83Å; V24-L106 HydrophobicContact CB-CD1 4.35Å; V24-L106 HydrophobicContact CG1-CB 4.02Å; V24-L106 HydrophobicContact CG2-CB 3.99Å; A26-L106 HydrophobicContact CB-CD1 3.77Å; A38-L106 HydrophobicContact CB-CD1 3.9Å; A38-L106 HydrophobicContact CB-CD2 3.75Å; A38-L106 HydrophobicContact CB-CG 4.5Å; I40-L106 HydrophobicContact CD1-CD2 4.1Å; I40-L106 HydrophobicContact CG1-CD2 4.24Å; M57-L106 HydrophobicContact SD-CD2 4.17Å; M57-L106 HydrophobicContact SD-CG 4.46Å; I102-L106 HydrophobicContact CG2-CD1 3.94Å; I102-L106 HydrophobicContact CG2-CG 4.45Å; I102-L106 WeakPolarHBondContact O-CG 3.43Å; I102-L106 PolarHBondContact O-N 2.79Å; G103-L106 PolarHBondContact O-N 3.46Å; L106-L109 HydrophobicContact CD2-CD1 4.41Å; L106-L109 PolarHBondContact O-N 2.8Å; L106-Q110 WeakPolarHBondContact O-CB 3.3Å; L106-Q110 PolarHBondContact O-N 2.85Å
107T97.3Very high96.1Very high50 Ų5037.4 Ų37.431%0.30723%0.233SC..Hα-helixtrans-63.7-45.1174.6-55.10000110.9G103 A104 I105 L109 Q110 S111G103-T107 WeakPolarHBondContact O-CB 3.31Å; G103-T107 PolarHBondContact O-N 3.33Å; G103-T107 PolarHBondContact O-OG1 2.93Å; A104-T107 PolarHBondContact O-N 3.17Å; I105-T107 VanDerWaalsContact C-N 3.34Å; I105-T107 PolarHBondContact O-N 3.3Å; T107-L109 VanDerWaalsContact C-N 3.31Å; T107-L109 PolarHBondContact O-N 3.06Å; T107-Q110 PolarHBondContact O-N 3.47Å; T107-S111 PolarHBondContact O-N 3.18Å; T107-S111 PolarHBondContact O-OG 3.27Å
108S97.1Very high95.1Very high40 Ų4037.1 Ų37.128%0.2823%0.23SC..Hα-helixtrans-62.5-38.9176.2-65.70000112.4A104 I105 S111 L112A104-S108 PolarHBondContact O-N 3.28Å; A104-S108 PolarHBondContact O-OG 2.95Å; I105-S108 PolarHBondContact O-N 2.86Å; S108-S111 PolarHBondContact O-N 3.3Å; S108-L112 WeakPolarHBondContact O-CB 3.28Å; S108-L112 PolarHBondContact O-N 3.21Å
109L97.5Very high94.1Very high2 Ų240.7 Ų40.71%0.0125%0.246CC..Hα-helixtrans-66.9-38.2174.5-72.6170.1000112.6I40 L55 V70 I87 L89 L92 I105 L106 T107 L112 L113I40-L109 HydrophobicContact CD1-CB 3.53Å; I40-L109 HydrophobicContact CD1-CD1 4.43Å; L55-L109 HydrophobicContact CD2-CD1 4.15Å; V70-L109 HydrophobicContact CG1-CD1 3.85Å; I87-L109 HydrophobicContact CB-CD2 4.47Å; I87-L109 HydrophobicContact CD1-CD1 4.17Å; I87-L109 HydrophobicContact CD1-CD2 3.68Å; I87-L109 HydrophobicContact CG2-CD2 3.68Å; L89-L109 HydrophobicContact CD2-CD2 3.63Å; L89-L109 HydrophobicContact CD2-CG 4.03Å; L92-L109 HydrophobicContact CD1-CD2 4.44Å; I105-L109 HydrophobicContact CG2-CD1 3.97Å; I105-L109 WeakPolarHBondContact O-CG 3.35Å; I105-L109 PolarHBondContact O-N 3.36Å; L106-L109 HydrophobicContact CD2-CD1 4.41Å; L106-L109 PolarHBondContact O-N 2.8Å; T107-L109 VanDerWaalsContact C-N 3.31Å; T107-L109 PolarHBondContact O-N 3.06Å; L109-L112 HydrophobicContact CD2-CD2 4.46Å; L109-L112 WeakPolarHBondContact O-CB 3.12Å; L109-L112 PolarHBondContact O-N 3.01Å; L109-L113 PolarHBondContact O-N 3.37Å
110Q97.7Very high93.4Very high32 Ų3240.8 Ų40.815%0.1525%0.247CC..Hα-helixtrans-64-45.1174.9-178.4-179.155.100111.1P22 V24 I40 L41 P43 L106 T107 L112 L113P22-Q110 PolarHBondContact O-NE2 3.41Å; P22-Q110 PolarHBondContact O-OE1 3.09Å; V24-Q110 HydrophobicContact CG1-CB 4.12Å; I40-Q110 HydrophobicContact CG2-CB 3.74Å; I40-Q110 HydrophobicContact CG2-CG 3.88Å; L41-Q110 PolarHBondContact O-NE2 2.95Å; L41-Q110 VanDerWaalsContact O-NE2 3.11Å; P43-Q110 HydrophobicContact CG-CG 3.83Å; P43-Q110 VanDerWaalsContact CG-O 3.27Å; P43-Q110 WeakPolarHBondContact CG-O 3.36Å; L106-Q110 WeakPolarHBondContact O-CB 3.3Å; L106-Q110 PolarHBondContact O-N 2.85Å; T107-Q110 PolarHBondContact O-N 3.47Å; Q110-L112 VanDerWaalsContact C-N 3.29Å; Q110-L112 PolarHBondContact O-N 2.96Å; Q110-L113 WeakPolarHBondContact O-CB 3.46Å; Q110-L113 PolarHBondContact O-N 2.84Å
111S96.2Very high92.9Very high74 Ų7439.9 Ų39.952%0.51725%0.249SC..Hα-helixtrans-60.3-39.6174.6-62.90000112.2T107 S108 L113 G114 D115T107-S111 PolarHBondContact O-N 3.18Å; T107-S111 PolarHBondContact O-OG 3.27Å; S108-S111 PolarHBondContact O-N 3.3Å; S111-L113 PolarHBondContact O-N 3.01Å; S111-G114 PolarHBondContact O-N 3.44Å; S111-D115 PolarHBondContact O-N 3.21Å; S111-D115 VanDerWaalsContact O-N 3.08Å
112L96Very high92.9Very high20 Ų2039.4 Ų39.411%0.10525%0.248CC..Hα-helixtrans-58.2-33.7178.5-175.866000112.4H78 N80 I87 L89 S108 L109 Q110 G114 D115H78-L112 PolarHBondContact NE2-O 3.01Å; N80-L112 HydrophobicContact CB-CD1 4.3Å; N80-L112 HydrophobicContact CB-CD2 3.99Å; N80-L112 HydrophobicContact CB-CG 4.4Å; I87-L112 HydrophobicContact CG2-CD2 4.15Å; L89-L112 HydrophobicContact CB-CD2 4.34Å; L89-L112 HydrophobicContact CD1-CD2 4.28Å; S108-L112 WeakPolarHBondContact O-CB 3.28Å; S108-L112 PolarHBondContact O-N 3.21Å; L109-L112 HydrophobicContact CD2-CD2 4.46Å; L109-L112 WeakPolarHBondContact O-CB 3.12Å; L109-L112 PolarHBondContact O-N 3.01Å; Q110-L112 VanDerWaalsContact C-N 3.29Å; Q110-L112 PolarHBondContact O-N 2.96Å; L112-G114 VanDerWaalsContact C-N 3.25Å; L112-G114 PolarHBondContact O-N 3.31Å; L112-D115 CarbonylContact O-C 3.56Å; L112-D115 PolarHBondContact O-N 2.99Å
113L96.8Very high92.8Very high5 Ų540.9 Ų40.93%0.02626%0.256CS..Hα-helixtrans-61.4-33.6176.8-63.8178.3000112.8I40 P43 F48 F53 F72 M76 L109 Q110 S111I40-L113 HydrophobicContact CG2-CD1 3.83Å; P43-L113 HydrophobicContact CG-CB 4.28Å; F48-L113 HydrophobicContact CD1-CD2 4.32Å; F48-L113 HydrophobicContact CD2-CB 4.07Å; F48-L113 WeakPolarHBondContact CD2-O 3.38Å; F48-L113 HydrophobicContact CE1-CD2 4.29Å; F48-L113 VanDerWaalsContact CE2-O 3.27Å; F48-L113 WeakPolarHBondContact CE2-O 3.48Å; F48-L113 HydrophobicContact CG-CB 4.21Å; F48-L113 HydrophobicContact CZ-CD2 4.5Å; F53-L113 HydrophobicContact CD2-CD1 4.01Å; F53-L113 HydrophobicContact CE2-CD1 4.31Å; F72-L113 HydrophobicContact CZ-CD2 4.3Å; M76-L113 HydrophobicContact CE-CD2 3.61Å; L109-L113 PolarHBondContact O-N 3.37Å; Q110-L113 WeakPolarHBondContact O-CB 3.46Å; Q110-L113 PolarHBondContact O-N 2.84Å; S111-L113 PolarHBondContact O-N 3.01Å
114G91.9Very high92.7Very high39 Ų3944.4 Ų44.440%0.40228%0.277SS..Hα-helixtrans-89.3-26.4-179.800000114.1S111 L112S111-G114 PolarHBondContact O-N 3.44Å; L112-G114 VanDerWaalsContact C-N 3.25Å; L112-G114 PolarHBondContact O-N 3.31Å
115D93.4Very high92.7Very high130 Ų13046.5 Ų46.570%0.69529%0.287SS*.SBendtrans-130.375.8-177.4-167.525.3000110.5S111 L112S111-D115 PolarHBondContact O-N 3.21Å; S111-D115 VanDerWaalsContact O-N 3.08Å; L112-D115 CarbonylContact O-C 3.56Å; L112-D115 PolarHBondContact O-N 2.99Å
116P91.9Very high92.6Very high8 Ų846.5 Ų46.55%0.05229%0.287CS..  trans-64.2147.9179.6-16.429.2000111.3P79 P118 F130P79-P116 HydrophobicContact CB-CB 4.06Å; P79-P116 HydrophobicContact CG-CB 3.7Å; P79-P116 HydrophobicContact CG-CG 4.26Å; P116-P118 WeakPolarHBondContact O-CD 3.14Å; P116-F130 HydrophobicContact CG-CD2 4.42Å; P116-F130 HydrophobicContact CG-CE1 4.49Å; P116-F130 HydrophobicContact CG-CE2 4.02Å; P116-F130 HydrophobicContact CG-CZ 4.05Å
117N86.9Confident92.5Very high80 Ų8046.8 Ų46.843%0.42829%0.289SS..  trans-97.9102.8171.3-177.6-0.7000110.3N80 N119N80-N117 PolarHBondContact ND2-O 3.15Å; N80-N117 PolarHBondContact OD1-N 2.96Å; N117-N119 VanDerWaalsContact C-N 3.29Å; N117-N119 PolarHBondContact O-N 2.82Å; N117-N119 WeakPolarHBondContact OD1-CB 3.47Å; N117-N119 PolarHBondContact OD1-N 3.39Å; N117-N119 VanDerWaalsContact OD1-N 3.15Å; N117-N119 PolarHBondContact OD1-ND2 3.14Å
118P77.5Confident92.5Very high33 Ų3349.5 Ų49.521%0.21430%0.298CS..THydrogen-bonded Turntrans-77.9-10.7-176.632.2-36.7000113.8P116 S120 P121 E131P116-P118 WeakPolarHBondContact O-CD 3.14Å; P118-S120 PolarHBondContact O-N 2.75Å; P118-S120 VanDerWaalsContact O-N 3.14Å; P118-P121 WeakPolarHBondContact O-CD 3.31Å; P118-E131 HydrophobicContact CB-CG 4.39Å; P118-E131 VanDerWaalsContact CB-OE1 3.26Å; P118-E131 WeakPolarHBondContact CB-OE1 3.1Å
119N77.2Confident92.4Very high133 Ų13349 Ų4971%0.71129%0.292SS*.THydrogen-bonded Turntrans-70.2-13.6-171.7-61.3-64.7000114.5N117N117-N119 VanDerWaalsContact C-N 3.29Å; N117-N119 PolarHBondContact O-N 2.82Å; N117-N119 WeakPolarHBondContact OD1-CB 3.47Å; N117-N119 PolarHBondContact OD1-N 3.39Å; N117-N119 VanDerWaalsContact OD1-N 3.15Å; N117-N119 PolarHBondContact OD1-ND2 3.14Å
120S80.9Confident92.3Very high82 Ų8251.7 Ų51.757%0.57330%0.304SS*.SBendtrans-154.375.5176.5-69.40000109.7P118P118-S120 PolarHBondContact O-N 2.75Å; P118-S120 VanDerWaalsContact O-N 3.14Å
121P88.9Confident92.1Very high46 Ų4656.3 Ų56.330%0.29933%0.325SS..  trans-78.4134.2-168.832.2-33.4000111.5P79 P118 N123 T124 A127P79-P121 CarbonylContact O-C 3.37Å; P79-P121 WeakPolarHBondContact O-CA 3.12Å; P118-P121 WeakPolarHBondContact O-CD 3.31Å; P121-N123 VanDerWaalsContact C-N 3.33Å; P121-T124 HydrophobicContact CG-CG2 4.22Å; P121-A127 HydrophobicContact CB-CB 3.47Å; P121-A127 VanDerWaalsContact CB-CB 3.47Å; P121-A127 HydrophobicContact CG-CB 3.89Å
122A94.3Very high92.1Very high17 Ų1760.8 Ų60.814%0.1434%0.338CS..SBendtrans-73.5-29.416700000111.8P79 Y82 C88P79-A122 PolarHBondContact O-N 2.86Å; Y82-A122 HydrophobicContact CD1-CB 3.75Å; Y82-A122 WeakPolarHBondContact CD1-O 3.32Å; Y82-A122 HydrophobicContact CD2-CB 3.64Å; Y82-A122 HydrophobicContact CE1-CB 3.69Å; Y82-A122 HydrophobicContact CE2-CB 3.58Å; Y82-A122 HydrophobicContact CG-CB 3.73Å; C88-A122 HydrophobicContact CB-CB 4.09Å
123N96.7Very high92.2Very high32 Ų3262.3 Ų62.317%0.17135%0.347CS..SBendtrans-12498.4175.1-178-21.5000108.7H78 P79 V81 P121 T125 A126 A127H78-N123 WeakPolarHBondContact O-CB 3.31Å; P79-N123 PolarHBondContact O-N 2.89Å; V81-N123 WeakPolarHBondContact O-CB 3.19Å; P121-N123 VanDerWaalsContact C-N 3.33Å; N123-T125 VanDerWaalsContact C-N 3.34Å; N123-T125 PolarHBondContact O-N 2.92Å; N123-T125 PolarHBondContact OD1-N 2.89Å; N123-A126 HydrophobicContact CB-CB 3.95Å; N123-A126 VanDerWaalsContact CG-CB 3.48Å; N123-A126 PolarHBondContact O-N 2.99Å; N123-A126 PolarHBondContact OD1-N 2.75Å; N123-A127 PolarHBondContact O-N 3.24Å; N123-A127 VanDerWaalsContact O-N 3.08Å
124T95.7Very high92.1Very high81 Ų8167.8 Ų67.850%0.49737%0.37SS..Hα-helixtrans-61.8-41.6-176.952.80000111.7P121 A126 A127 E128P121-T124 HydrophobicContact CG-CG2 4.22Å; T124-A126 VanDerWaalsContact C-N 3.35Å; T124-A126 PolarHBondContact O-N 3.25Å; T124-A127 WeakPolarHBondContact O-CB 3.45Å; T124-A127 PolarHBondContact O-N 2.86Å; T124-A127 VanDerWaalsContact O-N 3.14Å; T124-E128 WeakPolarHBondContact O-CB 3.35Å; T124-E128 WeakPolarHBondContact O-CG 3.46Å; T124-E128 PolarHBondContact O-N 3.03Å
125T96.3Very high92.4Very high73 Ų7374.9 Ų74.945%0.44839%0.385SS..Hα-helixtrans-62.2-41.3177.6-55.10000112F77 N123 A127 L129F77-T125 HydrophobicContact CE2-CG2 4.46Å; F77-T125 HydrophobicContact CZ-CG2 4.37Å; N123-T125 VanDerWaalsContact C-N 3.34Å; N123-T125 PolarHBondContact O-N 2.92Å; N123-T125 PolarHBondContact OD1-N 2.89Å; T125-A127 VanDerWaalsContact C-N 3.33Å; T125-L129 WeakPolarHBondContact O-CB 3.32Å; T125-L129 WeakPolarHBondContact O-CG 3.36Å; T125-L129 PolarHBondContact O-N 2.86Å
126A97.1Very high92.6Very high0 Ų072.8 Ų72.80%037%0.371CS..Hα-helixtrans-66-37175.900000111.9F77 P79 N123 T124 F130 Y137F77-A126 HydrophobicContact CD1-CB 4.18Å; F77-A126 HydrophobicContact CD2-CB 4.38Å; F77-A126 HydrophobicContact CE1-CB 3.83Å; F77-A126 HydrophobicContact CE2-CB 4.04Å; F77-A126 HydrophobicContact CG-CB 4.44Å; F77-A126 HydrophobicContact CZ-CB 3.75Å; P79-A126 HydrophobicContact CG-CB 4.28Å; N123-A126 HydrophobicContact CB-CB 3.95Å; N123-A126 VanDerWaalsContact CG-CB 3.48Å; N123-A126 PolarHBondContact O-N 2.99Å; N123-A126 PolarHBondContact OD1-N 2.75Å; T124-A126 VanDerWaalsContact C-N 3.35Å; T124-A126 PolarHBondContact O-N 3.25Å; A126-F130 WeakPolarHBondContact O-CB 3.43Å; A126-F130 PolarHBondContact O-N 2.97Å; A126-Y137 HydrophobicContact CB-CE2 4.38Å; A126-Y137 WeakPolarHBondContact O-CD2 3.29Å
127A96.3Very high92.8Very high5 Ų572.7 Ų72.74%0.04137%0.37CS..Hα-helixtrans-68.2-47.6176.900000112.3P79 P121 N123 T124 T125 L129 F130 E131P79-A127 HydrophobicContact CB-CB 4.1Å; P121-A127 HydrophobicContact CB-CB 3.47Å; P121-A127 VanDerWaalsContact CB-CB 3.47Å; P121-A127 HydrophobicContact CG-CB 3.89Å; N123-A127 PolarHBondContact O-N 3.24Å; N123-A127 VanDerWaalsContact O-N 3.08Å; T124-A127 WeakPolarHBondContact O-CB 3.45Å; T124-A127 PolarHBondContact O-N 2.86Å; T124-A127 VanDerWaalsContact O-N 3.14Å; T125-A127 VanDerWaalsContact C-N 3.33Å; A127-L129 PolarHBondContact O-N 3.27Å; A127-F130 WeakPolarHBondContact O-CB 3.45Å; A127-F130 PolarHBondContact O-N 3.17Å; A127-F130 VanDerWaalsContact O-N 3.14Å; A127-E131 PolarHBondContact O-N 2.98Å
128E95.7Very high93.3Very high107 Ų10772.7 Ų72.750%0.537%0.367SS..Hα-helixtrans-57.5-49.3176.2-72.9166.2-172.700111T124 F130 E131 E132T124-E128 WeakPolarHBondContact O-CB 3.35Å; T124-E128 WeakPolarHBondContact O-CG 3.46Å; T124-E128 PolarHBondContact O-N 3.03Å; E128-F130 VanDerWaalsContact C-N 3.31Å; E128-F130 PolarHBondContact O-N 2.7Å; E128-E131 PolarHBondContact O-N 2.6Å; E128-E132 WeakPolarHBondContact O-CB 3.28Å; E128-E132 PolarHBondContact O-N 2.95Å
129L96.5Very high94.3Very high30 Ų3075.3 Ų75.316%0.15738%0.382CS..Hα-helixtrans-64.3-36.4176.7-68.2-174.3000112.3F77 T125 A127 E131 D133 K134 Q136 Y137 Q140F77-L129 HydrophobicContact CE1-CD1 4.24Å; F77-L129 HydrophobicContact CZ-CD1 3.93Å; T125-L129 WeakPolarHBondContact O-CB 3.32Å; T125-L129 WeakPolarHBondContact O-CG 3.36Å; T125-L129 PolarHBondContact O-N 2.86Å; A127-L129 PolarHBondContact O-N 3.27Å; L129-E131 VanDerWaalsContact C-N 3.32Å; L129-E131 PolarHBondContact O-N 3.19Å; L129-D133 HydrophobicContact CD2-CB 4.39Å; L129-D133 CarbonylContact O-C 3.48Å; L129-D133 WeakPolarHBondContact O-CA 3.43Å; L129-D133 PolarHBondContact O-N 3.21Å; L129-K134 PolarHBondContact O-N 3.39Å; L129-Q136 HydrophobicContact CD1-CG 4.12Å; L129-Q136 HydrophobicContact CD2-CB 4.32Å; L129-Q136 HydrophobicContact CD2-CG 4.25Å; L129-Q136 VanDerWaalsContact CD2-OE1 3.24Å; L129-Y137 HydrophobicContact CB-CD2 4.43Å; L129-Q140 HydrophobicContact CD1-CG 4.33Å
130F95.1Very high95.3Very high58 Ų5872.9 Ų72.925%0.25437%0.367SS..Hα-helixtrans-63.9-38177.8-179.7-101.7000112.2P79 P116 A126 A127 E128 Y137P79-F130 HydrophobicContact CG-CB 4.36Å; P116-F130 HydrophobicContact CG-CD2 4.42Å; P116-F130 HydrophobicContact CG-CE1 4.49Å; P116-F130 HydrophobicContact CG-CE2 4.02Å; P116-F130 HydrophobicContact CG-CZ 4.05Å; A126-F130 WeakPolarHBondContact O-CB 3.43Å; A126-F130 PolarHBondContact O-N 2.97Å; A127-F130 WeakPolarHBondContact O-CB 3.45Å; A127-F130 PolarHBondContact O-N 3.17Å; A127-F130 VanDerWaalsContact O-N 3.14Å; E128-F130 VanDerWaalsContact C-N 3.31Å; E128-F130 PolarHBondContact O-N 2.7Å; F130-Y137 HydrophobicContact CB-CD2 3.98Å; F130-Y137 HydrophobicContact CB-CE2 4.19Å; F130-Y137 HydrophobicContact CB-CG 4.21Å; F130-Y137 AromaticContact CD2-CD1 3.9Å; F130-Y137 HydrophobicContact CD2-CD1 3.9Å; F130-Y137 AromaticContact CD2-CE1 3.69Å; F130-Y137 HydrophobicContact CD2-CE1 3.69Å; F130-Y137 HydrophobicContact CD2-CE2 4.4Å; F130-Y137 HydrophobicContact CD2-CG 4.33Å; F130-Y137 AromaticContact CD2-CZ 3.96Å; F130-Y137 HydrophobicContact CE2-CE1 4.34Å
131E94Very high96.1Very high129 Ų12969 Ų6960%0.60334%0.339SS*.Hα-helixtrans-81.4-40.2179.1-67.4-172.6156.300113.3P118 A127 E128 L129P118-E131 HydrophobicContact CB-CG 4.39Å; P118-E131 VanDerWaalsContact CB-OE1 3.26Å; P118-E131 WeakPolarHBondContact CB-OE1 3.1Å; A127-E131 PolarHBondContact O-N 2.98Å; E128-E131 PolarHBondContact O-N 2.6Å; L129-E131 VanDerWaalsContact C-N 3.32Å; L129-E131 PolarHBondContact O-N 3.19Å
132E95.8Very high96.6Very high168 Ų16871.5 Ų71.579%0.78534%0.343SS*.Hα-helixtrans-104.3-35.4-168.2-58.6-171.8166.800114.6E128E128-E132 WeakPolarHBondContact O-CB 3.28Å; E128-E132 PolarHBondContact O-N 2.95Å
133D96.6Very high96.7Very high53 Ų5373 Ų7328%0.28336%0.356SS..  trans-139.773.5179.5-169-18.3000111.3L129 R135 Q136 Y137L129-D133 HydrophobicContact CD2-CB 4.39Å; L129-D133 CarbonylContact O-C 3.48Å; L129-D133 WeakPolarHBondContact O-CA 3.43Å; L129-D133 PolarHBondContact O-N 3.21Å; D133-R135 PolarHBondContact O-N 2.94Å; D133-R135 PolarHBondContact OD1-N 3.31Å; D133-Q136 HydrophobicContact CB-CB 4.03Å; D133-Q136 VanDerWaalsContact CG-CB 3.44Å; D133-Q136 PolarHBondContact O-N 3.17Å; D133-Q136 PolarHBondContact OD1-N 2.87Å; D133-Y137 PolarHBondContact O-N 3.49Å
134K95.4Very high96.7Very high120 Ų12072 Ų7252%0.52235%0.35SS..Hα-helixtrans-53.5-31.8-179.5-172.7171-178.91750112.9L129 Y137 E138L129-K134 PolarHBondContact O-N 3.39Å; K134-Y137 WeakPolarHBondContact O-CB 3.42Å; K134-Y137 PolarHBondContact O-N 3.01Å; K134-E138 WeakPolarHBondContact CE-OE1 3.44Å; K134-E138 HydrophobicContact CG-CG 4.41Å; K134-E138 WeakPolarHBondContact O-CB 3.44Å; K134-E138 VanDerWaalsContact O-CG 3.24Å; K134-E138 WeakPolarHBondContact O-CG 3.49Å; K134-E138 PolarHBondContact O-N 2.77Å
135R97.7Very high96.8Very high187 Ų18768.3 Ų68.371%0.70633%0.327SS*.Hα-helixtrans-69.4-44178.2-177.3-172.464162.90.4111.1D133 E138 T139D133-R135 PolarHBondContact O-N 2.94Å; D133-R135 PolarHBondContact OD1-N 3.31Å; R135-E138 PolarHBondContact O-N 3.41Å; R135-T139 PolarHBondContact O-N 3.49Å; R135-T139 PolarHBondContact O-OG1 2.98Å
136Q98Very high96.9Very high87 Ų8770 Ų7041%0.40733%0.33SS..Hα-helixtrans-66.7-40.2175.2-169.1175.921.500111.1L129 D133 T139 Q140L129-Q136 HydrophobicContact CD1-CG 4.12Å; L129-Q136 HydrophobicContact CD2-CB 4.32Å; L129-Q136 HydrophobicContact CD2-CG 4.25Å; L129-Q136 VanDerWaalsContact CD2-OE1 3.24Å; D133-Q136 HydrophobicContact CB-CB 4.03Å; D133-Q136 VanDerWaalsContact CG-CB 3.44Å; D133-Q136 PolarHBondContact O-N 3.17Å; D133-Q136 PolarHBondContact OD1-N 2.87Å; Q136-T139 WeakPolarHBondContact O-CB 3.46Å; Q136-T139 PolarHBondContact O-N 3.31Å; Q136-Q140 WeakPolarHBondContact O-CG 3.39Å; Q136-Q140 PolarHBondContact O-N 3.4Å
137Y97.4Very high96.8Very high6 Ų673.5 Ų73.52%0.02435%0.347CS..Hα-helixtrans-54.9-53.3171.8173.7-98000111.6F48 F77 P79 A126 L129 F130 D133 K134 T139 Q140 V141F48-Y137 WeakPolarHBondContact CE2-OH 3.33Å; F77-Y137 HydrophobicContact CD1-CD2 4.23Å; F77-Y137 HydrophobicContact CD1-CE2 4.18Å; F77-Y137 AromaticContact CE1-CD2 3.8Å; F77-Y137 HydrophobicContact CE1-CD2 3.8Å; F77-Y137 HydrophobicContact CE1-CE2 4.14Å; P79-Y137 HydrophobicContact CG-CE2 4.47Å; A126-Y137 HydrophobicContact CB-CE2 4.38Å; A126-Y137 WeakPolarHBondContact O-CD2 3.29Å; L129-Y137 HydrophobicContact CB-CD2 4.43Å; F130-Y137 HydrophobicContact CB-CD2 3.98Å; F130-Y137 HydrophobicContact CB-CE2 4.19Å; F130-Y137 HydrophobicContact CB-CG 4.21Å; F130-Y137 AromaticContact CD2-CD1 3.9Å; F130-Y137 HydrophobicContact CD2-CD1 3.9Å; F130-Y137 AromaticContact CD2-CE1 3.69Å; F130-Y137 HydrophobicContact CD2-CE1 3.69Å; F130-Y137 HydrophobicContact CD2-CE2 4.4Å; F130-Y137 HydrophobicContact CD2-CG 4.33Å; F130-Y137 AromaticContact CD2-CZ 3.96Å; F130-Y137 HydrophobicContact CE2-CE1 4.34Å; D133-Y137 PolarHBondContact O-N 3.49Å; K134-Y137 WeakPolarHBondContact O-CB 3.42Å; K134-Y137 PolarHBondContact O-N 3.01Å; Y137-T139 VanDerWaalsContact C-N 3.25Å; Y137-T139 PolarHBondContact O-N 2.95Å; Y137-Q140 WeakPolarHBondContact O-CB 3.28Å; Y137-Q140 PolarHBondContact O-N 2.97Å; Y137-Q140 VanDerWaalsContact O-N 3.09Å; Y137-V141 HydrophobicContact CD1-CG2 4.13Å; Y137-V141 HydrophobicContact CD2-CG2 4.36Å; Y137-V141 HydrophobicContact CE1-CG2 3.64Å; Y137-V141 HydrophobicContact CE2-CG2 3.89Å; Y137-V141 HydrophobicContact CG-CG2 4.46Å; Y137-V141 VanDerWaalsContact CZ-CG2 3.5Å; Y137-V141 WeakPolarHBondContact O-CG2 3.36Å; Y137-V141 PolarHBondContact O-N 2.84Å
138E97.6Very high96.8Very high80 Ų8073.5 Ų73.537%0.37435%0.347SS..Hα-helixtrans-59.8-37.1179.4-75.3175.5-179.400111.7A47 K134 R135 Q140 V141 R142A47-E138 HydrophobicContact CB-CG 3.99Å; K134-E138 WeakPolarHBondContact CE-OE1 3.44Å; K134-E138 HydrophobicContact CG-CG 4.41Å; K134-E138 WeakPolarHBondContact O-CB 3.44Å; K134-E138 VanDerWaalsContact O-CG 3.24Å; K134-E138 WeakPolarHBondContact O-CG 3.49Å; K134-E138 PolarHBondContact O-N 2.77Å; R135-E138 PolarHBondContact O-N 3.41Å; E138-Q140 PolarHBondContact O-N 2.98Å; E138-V141 PolarHBondContact O-N 2.88Å; E138-R142 WeakPolarHBondContact O-CB 3.36Å; E138-R142 VanDerWaalsContact O-CG 3.23Å; E138-R142 WeakPolarHBondContact O-CG 3.36Å; E138-R142 PolarHBondContact O-N 2.94Å
139T98.2Very high96.8Very high87 Ų8775 Ų7553%0.53435%0.348SS..Hα-helixtrans-61.7-44175.3-56.40000111.7R135 Q136 Y137 R142 A143R135-T139 PolarHBondContact O-N 3.49Å; R135-T139 PolarHBondContact O-OG1 2.98Å; Q136-T139 WeakPolarHBondContact O-CB 3.46Å; Q136-T139 PolarHBondContact O-N 3.31Å; Y137-T139 VanDerWaalsContact C-N 3.25Å; Y137-T139 PolarHBondContact O-N 2.95Å; T139-R142 PolarHBondContact O-N 2.88Å; T139-A143 PolarHBondContact O-N 3.29Å
140Q98Very high96.4Very high82 Ų8281.9 Ų81.938%0.38337%0.372SS..Hα-helixtrans-65.7-44.1176.3-66.1-65.3-26.900111.5F77 L129 Q136 Y137 E138 R142 A143 I144F77-Q140 HydrophobicContact CD1-CB 3.51Å; F77-Q140 HydrophobicContact CD1-CG 4.43Å; F77-Q140 HydrophobicContact CE1-CB 3.57Å; F77-Q140 HydrophobicContact CE1-CG 4.04Å; F77-Q140 HydrophobicContact CG-CB 4.09Å; F77-Q140 HydrophobicContact CZ-CB 4.21Å; F77-Q140 HydrophobicContact CZ-CG 4.27Å; L129-Q140 HydrophobicContact CD1-CG 4.33Å; Q136-Q140 WeakPolarHBondContact O-CG 3.39Å; Q136-Q140 PolarHBondContact O-N 3.4Å; Y137-Q140 WeakPolarHBondContact O-CB 3.28Å; Y137-Q140 PolarHBondContact O-N 2.97Å; Y137-Q140 VanDerWaalsContact O-N 3.09Å; E138-Q140 PolarHBondContact O-N 2.98Å; Q140-R142 VanDerWaalsContact C-N 3.31Å; Q140-R142 PolarHBondContact O-N 3.36Å; Q140-A143 PolarHBondContact O-N 3.47Å; Q140-I144 PolarHBondContact O-N 3.3Å
141V98Very high94.9Very high0 Ų085.2 Ų85.20%039%0.392CS..Hα-helixtrans-61.6-40.7177.51750000111.1A47 F48 F77 Y137 E138 A143 I144 V145A47-V141 HydrophobicContact CB-CB 4.05Å; A47-V141 HydrophobicContact CB-CG1 3.72Å; A47-V141 WeakPolarHBondContact O-CG1 3.47Å; F48-V141 HydrophobicContact CD1-CG1 3.61Å; F48-V141 HydrophobicContact CD2-CG1 3.91Å; F48-V141 HydrophobicContact CE1-CG1 3.57Å; F48-V141 HydrophobicContact CE1-CG2 4.36Å; F48-V141 HydrophobicContact CE2-CG1 3.86Å; F48-V141 HydrophobicContact CE2-CG2 4.17Å; F48-V141 HydrophobicContact CG-CG1 3.78Å; F48-V141 HydrophobicContact CZ-CB 4.44Å; F48-V141 HydrophobicContact CZ-CG1 3.68Å; F48-V141 HydrophobicContact CZ-CG2 3.83Å; F77-V141 HydrophobicContact CD1-CG2 4.21Å; Y137-V141 HydrophobicContact CD1-CG2 4.13Å; Y137-V141 HydrophobicContact CD2-CG2 4.36Å; Y137-V141 HydrophobicContact CE1-CG2 3.64Å; Y137-V141 HydrophobicContact CE2-CG2 3.89Å; Y137-V141 HydrophobicContact CG-CG2 4.46Å; Y137-V141 VanDerWaalsContact CZ-CG2 3.5Å; Y137-V141 WeakPolarHBondContact O-CG2 3.36Å; Y137-V141 PolarHBondContact O-N 2.84Å; E138-V141 PolarHBondContact O-N 2.88Å; V141-A143 VanDerWaalsContact C-N 3.35Å; V141-A143 PolarHBondContact O-N 2.84Å; V141-I144 WeakPolarHBondContact O-CB 3.4Å; V141-I144 PolarHBondContact O-N 2.94Å; V141-I144 VanDerWaalsContact O-N 3.09Å; V141-V145 HydrophobicContact CG1-CG2 4.39Å; V141-V145 WeakPolarHBondContact O-CG2 3.28Å; V141-V145 PolarHBondContact O-N 2.88Å
142R97.7Very high93.2Very high99 Ų9985 Ų8537%0.37440%0.395SS..Hα-helixtrans-63-38.8177.5-71.8-62.7179.3-167-5.6112.9T46 A47 A49 E138 T139 Q140 I144 V145 E146T46-R142 PolarHBondContact O-NH2 2.9Å; A47-R142 PolarHBondContact O-NE 3.46Å; A47-R142 PolarHBondContact O-NH1 3.41Å; A49-R142 PolarHBondContact O-NH1 2.85Å; E138-R142 WeakPolarHBondContact O-CB 3.36Å; E138-R142 VanDerWaalsContact O-CG 3.23Å; E138-R142 WeakPolarHBondContact O-CG 3.36Å; E138-R142 PolarHBondContact O-N 2.94Å; T139-R142 PolarHBondContact O-N 2.88Å; Q140-R142 VanDerWaalsContact C-N 3.31Å; Q140-R142 PolarHBondContact O-N 3.36Å; R142-I144 VanDerWaalsContact C-N 3.26Å; R142-I144 PolarHBondContact O-N 2.79Å; R142-V145 WeakPolarHBondContact O-CB 3.37Å; R142-V145 PolarHBondContact O-N 3.46Å; R142-E146 WeakPolarHBondContact O-CG 3.35Å; R142-E146 PolarHBondContact O-N 2.82Å
143A97.5Very high91.1Very high50 Ų5085.7 Ų85.741%0.41340%0.398SS..Hα-helixtrans-60.4-38.6173.100000112T139 Q140 V141 E146 E147T139-A143 PolarHBondContact O-N 3.29Å; Q140-A143 PolarHBondContact O-N 3.47Å; V141-A143 VanDerWaalsContact C-N 3.35Å; V141-A143 PolarHBondContact O-N 2.84Å; A143-E146 PolarHBondContact O-N 2.94Å; A143-E147 WeakPolarHBondContact O-CB 3.29Å; A143-E147 PolarHBondContact O-N 3.05Å
144I96.9Very high88.8Confident10 Ų1087.6 Ų87.65%0.05142%0.416CS..Hα-helixtrans-70.9-37176.3-63.3-57.6000112.3F53 K75 F77 Q140 V141 R142 E146 E147 S148F53-I144 HydrophobicContact CE1-CG2 4.08Å; K75-I144 HydrophobicContact CB-CD1 4.42Å; K75-I144 HydrophobicContact CD-CD1 3.71Å; K75-I144 HydrophobicContact CG-CD1 3.84Å; K75-I144 WeakPolarHBondContact O-CG2 3.25Å; F77-I144 HydrophobicContact CB-CG1 3.78Å; Q140-I144 PolarHBondContact O-N 3.3Å; V141-I144 WeakPolarHBondContact O-CB 3.4Å; V141-I144 PolarHBondContact O-N 2.94Å; V141-I144 VanDerWaalsContact O-N 3.09Å; R142-I144 VanDerWaalsContact C-N 3.26Å; R142-I144 PolarHBondContact O-N 2.79Å; I144-E146 VanDerWaalsContact C-N 3.35Å; I144-E147 PolarHBondContact O-N 3.4Å; I144-S148 WeakPolarHBondContact O-CB 3.2Å; I144-S148 PolarHBondContact O-N 3.32Å
145V97.7Very high86.5Confident3 Ų385.6 Ų85.62%0.01841%0.413CS..Hα-helixtrans-57.6-49172166.60000110.2F53 V141 R142 E147 S148 W149F53-V145 HydrophobicContact CZ-CG2 4.06Å; V141-V145 HydrophobicContact CG1-CG2 4.39Å; V141-V145 WeakPolarHBondContact O-CG2 3.28Å; V141-V145 PolarHBondContact O-N 2.88Å; R142-V145 WeakPolarHBondContact O-CB 3.37Å; R142-V145 PolarHBondContact O-N 3.46Å; V145-E147 VanDerWaalsContact C-N 3.33Å; V145-E147 PolarHBondContact O-N 3.24Å; V145-S148 WeakPolarHBondContact O-CB 3.43Å; V145-S148 PolarHBondContact O-N 3.46Å; V145-S148 PolarHBondContact O-OG 3.32Å; V145-W149 HydrophobicContact CG1-CZ2 3.78Å; V145-W149 PolarHBondContact O-NE1 2.76Å
146E96.8Very high83.5Confident109 Ų10987.5 Ų87.551%0.50944%0.438SS..Hα-helixtrans-63.4-38.2177.5-69178.3-171.200112.7R142 A143 I144 S148 W149R142-E146 WeakPolarHBondContact O-CG 3.35Å; R142-E146 PolarHBondContact O-N 2.82Å; A143-E146 PolarHBondContact O-N 2.94Å; I144-E146 VanDerWaalsContact C-N 3.35Å; E146-S148 VanDerWaalsContact C-N 3.28Å; E146-S148 PolarHBondContact O-N 3.1Å; E146-W149 HydrophobicContact CB-CE3 4.38Å; E146-W149 HydrophobicContact CB-CZ3 4.36Å; E146-W149 HydrophobicContact CG-CE3 4.42Å; E146-W149 HydrophobicContact CG-CH2 4.13Å; E146-W149 HydrophobicContact CG-CZ3 3.9Å; E146-W149 PolarHBondContact O-N 3.39Å
147E96.2Very high82.7Confident73 Ų7387.6 Ų87.634%0.34144%0.439SS..Hα-helixtrans-63.5-36.6176-165.9171.116300111.1K75 A143 I144 V145 W149 R150K75-E147 WeakPolarHBondContact CD-OE1 3.39Å; K75-E147 WeakPolarHBondContact CD-OE2 3.35Å; K75-E147 IonicContact NZ-OE1 3.85Å; K75-E147 IonicContact NZ-OE2 3.62Å; K75-E147 PolarHBondContact NZ-OE2 3.4Å; A143-E147 WeakPolarHBondContact O-CB 3.29Å; A143-E147 PolarHBondContact O-N 3.05Å; I144-E147 PolarHBondContact O-N 3.4Å; V145-E147 VanDerWaalsContact C-N 3.33Å; V145-E147 PolarHBondContact O-N 3.24Å; E147-W149 PolarHBondContact O-N 2.63Å; E147-R150 WeakPolarHBondContact O-CB 3.29Å; E147-R150 PolarHBondContact O-N 3.03Å; E147-R150 VanDerWaalsContact O-N 3.08Å
148S96.3Very high82Confident6 Ų691.8 Ų91.84%0.04246%0.461CS..Hα-helixtrans-62.2-25.6-179.184.20000114.1I52 R54 I144 V145 E146 R150I52-S148 PolarHBondContact N-OG 3.34Å; I52-S148 WeakPolarHBondContact O-CB 3.32Å; R54-S148 PolarHBondContact NH1-O 3.05Å; I144-S148 WeakPolarHBondContact O-CB 3.2Å; I144-S148 PolarHBondContact O-N 3.32Å; V145-S148 WeakPolarHBondContact O-CB 3.43Å; V145-S148 PolarHBondContact O-N 3.46Å; V145-S148 PolarHBondContact O-OG 3.32Å; E146-S148 VanDerWaalsContact C-N 3.28Å; E146-S148 PolarHBondContact O-N 3.1Å; S148-R150 VanDerWaalsContact C-N 3.25Å; S148-R150 PolarHBondContact O-N 3.3Å
149W94.9Very high81.1Confident137 Ų13792.5 Ų92.552%0.51947%0.466SS..THydrogen-bonded Turntrans-72.8-19.3178.4-56.6-22.1000113.2D50 V145 E146 E147 N151D50-W149 HydrophobicContact CB-CZ2 4.37Å; D50-W149 PolarHBondContact O-NE1 3.46Å; V145-W149 HydrophobicContact CG1-CZ2 3.78Å; V145-W149 PolarHBondContact O-NE1 2.76Å; E146-W149 HydrophobicContact CB-CE3 4.38Å; E146-W149 HydrophobicContact CB-CZ3 4.36Å; E146-W149 HydrophobicContact CG-CE3 4.42Å; E146-W149 HydrophobicContact CG-CH2 4.13Å; E146-W149 HydrophobicContact CG-CZ3 3.9Å; E146-W149 PolarHBondContact O-N 3.39Å; E147-W149 PolarHBondContact O-N 2.63Å; W149-N151 PolarHBondContact O-N 3.04Å
150R88.4Confident80.1Confident175 Ų17592.8 Ų92.866%0.6646%0.462SS*.SBendtrans-75.5124.8177.9-56.9-178.5-174.8-173.41.6107.7E147 S148 D152E147-R150 WeakPolarHBondContact O-CB 3.29Å; E147-R150 PolarHBondContact O-N 3.03Å; E147-R150 VanDerWaalsContact O-N 3.08Å; S148-R150 VanDerWaalsContact C-N 3.25Å; S148-R150 PolarHBondContact O-N 3.3Å; R150-D152 PolarHBondContact O-N 3.37Å; R150-D152 VanDerWaalsContact O-N 3.13Å
151N63.4Low79Confident128 Ų12893.5 Ų93.568%0.68447%0.467SS*.  trans-74.398.7169.3-81-21.4000107.2R54 W149 E153R54-N151 PolarHBondContact NH2-OD1 2.63Å; W149-N151 PolarHBondContact O-N 3.04Å; N151-E153 PolarHBondContact O-N 3.34Å
152D59.3Low77.7Confident124 Ų12499.7 Ų99.766%0.66350%0.498SS*.  trans-72.3104.7162-91.4-17.3000107.5R150 S154R150-D152 PolarHBondContact O-N 3.37Å; R150-D152 VanDerWaalsContact O-N 3.13Å; D152-S154 PolarHBondContact O-N 2.92Å
153E51.7Low76.3Confident183 Ų18399.8 Ų99.886%0.85551%0.507SS*.  trans-65.921.4172.9-62.1-177.7152.600112.7N151N151-E153 PolarHBondContact O-N 3.34Å
154S48.3Very low74.6Confident94 Ų94103.6 Ų103.666%0.65751%0.514SS*.  trans-96.111.7-17262.30000114.4D152D152-S154 PolarHBondContact O-N 2.92Å
155V45.7Very low72.8Confident77 Ų77111.4 Ų111.447%0.46755%0.553SS.*  trans-109.170.7174.6-166.80000108.9V73V73-V155 HydrophobicContact CG1-CG2 4.22Å
156D34.7Very low70.5Confident228 Ų228121.3 Ų121.3100%1.21960%0.602SS**  trans-116.10162.9-80.5-27.8000109.2

Retrieved 156 of 156 residues in 393.3 ms (Link to these results)

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