A0A5K4F247_SCHMA Loading...

N-acetyltransferase domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F247, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 225 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
1M73.7Confident82Confident65 Ų6582.2 Ų82.232%0.3242%0.424SS..  0116.20-179.316264.400112.4L6 R7 T10 S12 E20 M97M1-L6 HydrophobicContact CE-CB 4.31Å; M1-L6 HydrophobicContact CG-CB 4.16Å; M1-L6 HydrophobicContact SD-CB 3.53Å; M1-L6 VanDerWaalsContact SD-CB 3.53Å; M1-L6 HydrophobicContact SD-CD1 4.3Å; M1-L6 HydrophobicContact SD-CG 4.47Å; M1-R7 HydrophobicContact CE-CB 4.3Å; M1-R7 HydrophobicContact CE-CG 3.66Å; M1-R7 HydrophobicContact CG-CG 4.27Å; M1-T10 WeakPolarHBondContact CE-OG1 3.28Å; M1-S12 WeakPolarHBondContact CE-OG 3.42Å; M1-E20 PolarHBondContact N-OE1 3.41Å; M1-M97 HydrophobicContact SD-CE 4.45Å; M1-M97 HydrophobicContact SD-SD 4.06Å
2Q81Confident82Confident176 Ų17679 Ų7982%0.82241%0.414SS*.  trans-89.1-30.7-172.8-67.3-172.5-15.400115.5S4Q2-S4 PolarHBondContact O-N 3.38Å
3D84.1Confident82.1Confident79 Ų7986.1 Ų86.142%0.42244%0.444SS..  trans-66.8126.3-177.5-176.2-59.9000111.1W5 L6 R7D3-W5 WeakPolarHBondContact OD1-CA 3.45Å; D3-W5 VanDerWaalsContact OD1-CB 3.28Å; D3-W5 WeakPolarHBondContact OD1-CB 3.28Å; D3-W5 PolarHBondContact OD1-N 3.03Å; D3-L6 HydrophobicContact CB-CB 4.08Å; D3-L6 HydrophobicContact CB-CD1 3.91Å; D3-L6 HydrophobicContact CB-CG 4.08Å; D3-L6 PolarHBondContact OD1-N 3.28Å; D3-R7 WeakPolarHBondContact O-CG 3.25Å; D3-R7 PolarHBondContact O-N 2.83Å; D3-R7 VanDerWaalsContact O-N 3.15Å
4S85.2Confident82.6Confident82 Ų8287.8 Ų87.857%0.57345%0.449SS*.Hα-helixtrans-70.1-34.6-177.460.20000113.4Q2 R7 E8Q2-S4 PolarHBondContact O-N 3.38Å; S4-R7 PolarHBondContact O-N 3.13Å; S4-E8 PolarHBondContact O-N 2.75Å
5W84.8Confident83Confident116 Ų11686.5 Ų86.544%0.43944%0.443SS..Hα-helixtrans-69-40.6178.5178.190.3000110.7D3 E8 T9 R104D3-W5 WeakPolarHBondContact OD1-CA 3.45Å; D3-W5 VanDerWaalsContact OD1-CB 3.28Å; D3-W5 WeakPolarHBondContact OD1-CB 3.28Å; D3-W5 PolarHBondContact OD1-N 3.03Å; W5-E8 PolarHBondContact O-N 2.74Å; W5-T9 HydrophobicContact CD2-CG2 4.11Å; W5-T9 HydrophobicContact CE3-CG2 4.49Å; W5-T9 HydrophobicContact CH2-CG2 4.23Å; W5-T9 HydrophobicContact CZ2-CG2 3.85Å; W5-T9 WeakPolarHBondContact O-CB 3.36Å; W5-T9 WeakPolarHBondContact O-CG2 3.4Å; W5-T9 PolarHBondContact O-N 3.22Å; W5-T9 PolarHBondContact O-OG1 3.15Å; W5-R104 VanDerWaalsContact CH2-NH1 3.27Å
6L83Confident83.6Confident19 Ų1985.9 Ų85.910%0.09945%0.445CS..Hα-helixtrans-62.4-42.7173.6-74.4177000111.6M1 D3 T9 T10 M97M1-L6 HydrophobicContact CE-CB 4.31Å; M1-L6 HydrophobicContact CG-CB 4.16Å; M1-L6 HydrophobicContact SD-CB 3.53Å; M1-L6 VanDerWaalsContact SD-CB 3.53Å; M1-L6 HydrophobicContact SD-CD1 4.3Å; M1-L6 HydrophobicContact SD-CG 4.47Å; D3-L6 HydrophobicContact CB-CB 4.08Å; D3-L6 HydrophobicContact CB-CD1 3.91Å; D3-L6 HydrophobicContact CB-CG 4.08Å; D3-L6 PolarHBondContact OD1-N 3.28Å; L6-T9 PolarHBondContact O-N 3.19Å; L6-T9 PolarHBondContact O-OG1 3.27Å; L6-T10 WeakPolarHBondContact O-CB 3.37Å; L6-T10 WeakPolarHBondContact O-CG2 2.88Å; L6-T10 PolarHBondContact O-N 2.8Å; L6-T10 VanDerWaalsContact O-N 3.12Å; L6-T10 PolarHBondContact O-OG1 2.93Å; L6-M97 HydrophobicContact CD2-CG 4.36Å; L6-M97 HydrophobicContact CD2-SD 3.93Å
7R85.6Confident84Confident62 Ų6288 Ų8823%0.23446%0.456CS..Hα-helixtrans-59.8-50.4175.2-77.2-171.5-63.3145.7-7.5113.2M1 D3 S4 T9 T10 S11 S12M1-R7 HydrophobicContact CE-CB 4.3Å; M1-R7 HydrophobicContact CE-CG 3.66Å; M1-R7 HydrophobicContact CG-CG 4.27Å; D3-R7 WeakPolarHBondContact O-CG 3.25Å; D3-R7 PolarHBondContact O-N 2.83Å; D3-R7 VanDerWaalsContact O-N 3.15Å; S4-R7 PolarHBondContact O-N 3.13Å; R7-T9 VanDerWaalsContact C-N 3.34Å; R7-T9 PolarHBondContact O-N 3.31Å; R7-T10 PolarHBondContact O-N 3.22Å; R7-T10 PolarHBondContact O-OG1 3.23Å; R7-S11 PolarHBondContact O-N 3.24Å; R7-S12 WeakPolarHBondContact CA-OG 3.08Å; R7-S12 WeakPolarHBondContact CB-O 3.28Å; R7-S12 PolarHBondContact O-N 2.99Å
8E83.9Confident84.7Confident133 Ų13390.1 Ų90.162%0.62147%0.468SS*.Hα-helixtrans-61.5-42.7179.8-174.1177.7-175.500112.1S4 W5 T10 S11S4-E8 PolarHBondContact O-N 2.75Å; W5-E8 PolarHBondContact O-N 2.74Å; E8-T10 VanDerWaalsContact C-N 3.32Å; E8-T10 PolarHBondContact O-N 2.8Å; E8-S11 PolarHBondContact O-N 2.83Å
9T80.5Confident85.2Confident27 Ų2789.8 Ų89.817%0.16646%0.464CS..Hα-helixtrans-74.6-20.2-176.850.50000114.5W5 L6 R7 N139W5-T9 HydrophobicContact CD2-CG2 4.11Å; W5-T9 HydrophobicContact CE3-CG2 4.49Å; W5-T9 HydrophobicContact CH2-CG2 4.23Å; W5-T9 HydrophobicContact CZ2-CG2 3.85Å; W5-T9 WeakPolarHBondContact O-CB 3.36Å; W5-T9 WeakPolarHBondContact O-CG2 3.4Å; W5-T9 PolarHBondContact O-N 3.22Å; W5-T9 PolarHBondContact O-OG1 3.15Å; L6-T9 PolarHBondContact O-N 3.19Å; L6-T9 PolarHBondContact O-OG1 3.27Å; R7-T9 VanDerWaalsContact C-N 3.34Å; R7-T9 PolarHBondContact O-N 3.31Å; T9-N139 PolarHBondContact O-ND2 2.64Å
10T79.8Confident85.4Confident55 Ų5588.2 Ų88.234%0.33745%0.454SS..THydrogen-bonded Turntrans-100.91.7175.556.40000112.9M1 L6 R7 E8 S12 M97M1-T10 WeakPolarHBondContact CE-OG1 3.28Å; L6-T10 WeakPolarHBondContact O-CB 3.37Å; L6-T10 WeakPolarHBondContact O-CG2 2.88Å; L6-T10 PolarHBondContact O-N 2.8Å; L6-T10 VanDerWaalsContact O-N 3.12Å; L6-T10 PolarHBondContact O-OG1 2.93Å; R7-T10 PolarHBondContact O-N 3.22Å; R7-T10 PolarHBondContact O-OG1 3.23Å; E8-T10 VanDerWaalsContact C-N 3.32Å; E8-T10 PolarHBondContact O-N 2.8Å; T10-S12 PolarHBondContact O-N 2.99Å; T10-S12 PolarHBondContact OG1-OG 3.33Å; T10-M97 HydrophobicContact CG2-SD 4.04Å
11S80.4Confident85.7Confident90 Ų9089.5 Ų89.563%0.62946%0.457SS*.THydrogen-bonded Turntrans53.737.4-173.6-57.20000113.3R7 E8R7-S11 PolarHBondContact O-N 3.24Å; E8-S11 PolarHBondContact O-N 2.83Å
12S81.8Confident86.7Confident44 Ų4491.7 Ų91.731%0.30847%0.466SS..  trans-108.7148.7-178.458.50000112.8M1 R7 T10M1-S12 WeakPolarHBondContact CE-OG 3.42Å; R7-S12 WeakPolarHBondContact CA-OG 3.08Å; R7-S12 WeakPolarHBondContact CB-O 3.28Å; R7-S12 PolarHBondContact O-N 2.99Å; T10-S12 PolarHBondContact O-N 2.99Å; T10-S12 PolarHBondContact OG1-OG 3.33Å
13E84.1Confident87.1Confident171 Ų17184 Ų8480%0.79943%0.434SS*.PPolyproline II helixtrans-88.6163.4173.3-61.8-167.9155.400111.1L15E13-L15 PolarHBondContact O-N 3.34Å
14Q88.3Confident87.4Confident110 Ų11085.2 Ų85.251%0.51444%0.436SS..PPolyproline II helixtrans-83.2117.4171.9174.3170.91.800109.1
15L88.8Confident87.7Confident68 Ų6887.3 Ų87.336%0.35644%0.437SS..PPolyproline II helixtrans-80.6148.5174-59.9-177.5000111E13 E19 E20 A23E13-L15 PolarHBondContact O-N 3.34Å; L15-E19 HydrophobicContact CB-CB 3.93Å; L15-E19 HydrophobicContact CD2-CB 4.18Å; L15-E19 HydrophobicContact CG-CB 4.42Å; L15-E20 HydrophobicContact CB-CG 3.8Å; L15-E20 HydrophobicContact CD1-CG 4.43Å; L15-A23 HydrophobicContact CD1-CB 4.46Å
16T92.5Very high87.9Confident78 Ų7886 Ų8648%0.47944%0.436SS..PPolyproline II helixtrans-68.7163.7162.463.30000110.3D18 E19 E20T16-D18 VanDerWaalsContact C-N 3.28Å; T16-D18 PolarHBondContact O-N 3.49Å; T16-E19 WeakPolarHBondContact CB-OE2 3.43Å; T16-E19 WeakPolarHBondContact CG2-OE2 3.48Å; T16-E19 PolarHBondContact N-OE2 3.47Å; T16-E19 PolarHBondContact O-N 3.43Å; T16-E19 WeakPolarHBondContact OG1-CB 3.41Å; T16-E19 VanDerWaalsContact OG1-CD 3.24Å; T16-E19 VanDerWaalsContact OG1-CG 3.26Å; T16-E19 WeakPolarHBondContact OG1-CG 3.45Å; T16-E19 PolarHBondContact OG1-N 3.21Å; T16-E19 PolarHBondContact OG1-OE2 3.26Å; T16-E20 WeakPolarHBondContact O-CG 3.49Å; T16-E20 PolarHBondContact O-N 2.94Å
17L91.2Very high88.2Confident121 Ų12190.4 Ų90.463%0.63445%0.451SS*.Hα-helixtrans-60.2-39.417918061.2000112.3E20 F21L17-E20 PolarHBondContact O-N 3.09Å; L17-F21 HydrophobicContact CD1-CD2 4.23Å; L17-F21 HydrophobicContact CD1-CE2 3.68Å; L17-F21 HydrophobicContact CD1-CZ 4.04Å; L17-F21 HydrophobicContact CD2-CE2 4.09Å; L17-F21 HydrophobicContact CG-CD2 4.05Å; L17-F21 HydrophobicContact CG-CE2 3.61Å; L17-F21 HydrophobicContact CG-CZ 4.42Å; L17-F21 VanDerWaalsContact O-CD2 3.26Å; L17-F21 WeakPolarHBondContact O-CD2 3.43Å; L17-F21 PolarHBondContact O-N 2.91Å; L17-F21 VanDerWaalsContact O-N 3.1Å
18D95.3Very high88.2Confident126 Ų12692.6 Ų92.667%0.67448%0.475SS*.Hα-helixtrans-66.3-40.3178.9-64.1-24.4000111.2T16 F21 E22T16-D18 VanDerWaalsContact C-N 3.28Å; T16-D18 PolarHBondContact O-N 3.49Å; D18-F21 PolarHBondContact O-N 2.95Å; D18-E22 PolarHBondContact O-N 3.34Å
19E94.2Very high88.4Confident85 Ų8591.5 Ų91.540%0.39747%0.474SS..Hα-helixtrans-66.3-35.2174.4-72.3164.714800112.6L15 T16 F21 E22 A23L15-E19 HydrophobicContact CB-CB 3.93Å; L15-E19 HydrophobicContact CD2-CB 4.18Å; L15-E19 HydrophobicContact CG-CB 4.42Å; T16-E19 WeakPolarHBondContact CB-OE2 3.43Å; T16-E19 WeakPolarHBondContact CG2-OE2 3.48Å; T16-E19 PolarHBondContact N-OE2 3.47Å; T16-E19 PolarHBondContact O-N 3.43Å; T16-E19 WeakPolarHBondContact OG1-CB 3.41Å; T16-E19 VanDerWaalsContact OG1-CD 3.24Å; T16-E19 VanDerWaalsContact OG1-CG 3.26Å; T16-E19 WeakPolarHBondContact OG1-CG 3.45Å; T16-E19 PolarHBondContact OG1-N 3.21Å; T16-E19 PolarHBondContact OG1-OE2 3.26Å; E19-F21 VanDerWaalsContact C-N 3.35Å; E19-E22 PolarHBondContact O-N 2.73Å; E19-A23 VanDerWaalsContact O-CB 3.3Å; E19-A23 WeakPolarHBondContact O-CB 3.3Å; E19-A23 PolarHBondContact O-N 3.41Å
20E90.5Very high88.8Confident56 Ų5693.9 Ų93.926%0.26249%0.485SS..Hα-helixtrans-64.2-39.8173.4-67.7-84.9-170.700111M1 L15 T16 L17 Q24M1-E20 PolarHBondContact N-OE1 3.41Å; L15-E20 HydrophobicContact CB-CG 3.8Å; L15-E20 HydrophobicContact CD1-CG 4.43Å; T16-E20 WeakPolarHBondContact O-CG 3.49Å; T16-E20 PolarHBondContact O-N 2.94Å; L17-E20 PolarHBondContact O-N 3.09Å; E20-Q24 WeakPolarHBondContact O-CB 3.19Å; E20-Q24 WeakPolarHBondContact O-CG 3.34Å; E20-Q24 PolarHBondContact O-N 3.49Å; E20-Q24 PolarHBondContact O-NE2 3.41Å
21F91.8Very high89.1Confident116 Ų11699.1 Ų99.151%0.50951%0.511SS..Hα-helixtrans-66.9-42.6175-74.7-53.5000112.4L17 D18 E19 A23 Q24 E25L17-F21 HydrophobicContact CD1-CD2 4.23Å; L17-F21 HydrophobicContact CD1-CE2 3.68Å; L17-F21 HydrophobicContact CD1-CZ 4.04Å; L17-F21 HydrophobicContact CD2-CE2 4.09Å; L17-F21 HydrophobicContact CG-CD2 4.05Å; L17-F21 HydrophobicContact CG-CE2 3.61Å; L17-F21 HydrophobicContact CG-CZ 4.42Å; L17-F21 VanDerWaalsContact O-CD2 3.26Å; L17-F21 WeakPolarHBondContact O-CD2 3.43Å; L17-F21 PolarHBondContact O-N 2.91Å; L17-F21 VanDerWaalsContact O-N 3.1Å; D18-F21 PolarHBondContact O-N 2.95Å; E19-F21 VanDerWaalsContact C-N 3.35Å; F21-A23 VanDerWaalsContact C-N 3.35Å; F21-Q24 PolarHBondContact O-N 2.99Å; F21-E25 PolarHBondContact O-N 3.01Å
22E93.6Very high89.7Confident111 Ų11197.8 Ų97.852%0.51950%0.497SS..Hα-helixtrans-62.3-43.2175.5-175178-179.900111.3D18 E19 Q24 E25 Q26D18-E22 PolarHBondContact O-N 3.34Å; E19-E22 PolarHBondContact O-N 2.73Å; E22-Q24 PolarHBondContact O-N 3.21Å; E22-E25 PolarHBondContact O-N 2.68Å; E22-Q26 WeakPolarHBondContact O-CG 3.25Å; E22-Q26 PolarHBondContact O-N 3.46Å
23A89.8Confident90.3Very high16 Ų1698 Ų9813%0.13249%0.49CS..Hα-helixtrans-59.9-46174.300000111.1L15 E19 F21 E25 Q26 W27L15-A23 HydrophobicContact CD1-CB 4.46Å; E19-A23 VanDerWaalsContact O-CB 3.3Å; E19-A23 WeakPolarHBondContact O-CB 3.3Å; E19-A23 PolarHBondContact O-N 3.41Å; F21-A23 VanDerWaalsContact C-N 3.35Å; A23-E25 VanDerWaalsContact C-N 3.33Å; A23-E25 PolarHBondContact O-N 3.12Å; A23-Q26 PolarHBondContact O-N 2.88Å; A23-W27 HydrophobicContact CB-CE3 4.18Å; A23-W27 HydrophobicContact CB-CZ3 4.02Å; A23-W27 VanDerWaalsContact O-CE3 3.22Å; A23-W27 PolarHBondContact O-N 2.95Å
24Q90.1Very high90.8Very high103 Ų10391.2 Ų91.248%0.48146%0.46SS..Hα-helixtrans-58.1-44.8177.3-73.4163.526.100112.1E20 F21 E22 Q26 W27 C28E20-Q24 WeakPolarHBondContact O-CB 3.19Å; E20-Q24 WeakPolarHBondContact O-CG 3.34Å; E20-Q24 PolarHBondContact O-N 3.49Å; E20-Q24 PolarHBondContact O-NE2 3.41Å; F21-Q24 PolarHBondContact O-N 2.99Å; E22-Q24 PolarHBondContact O-N 3.21Å; Q24-Q26 PolarHBondContact O-N 3.26Å; Q24-W27 PolarHBondContact O-N 3.36Å; Q24-C28 PolarHBondContact O-N 3.06Å; Q24-C28 PolarHBondContact O-SG 3.48Å; Q24-C28 VanDerWaalsContact O-SG 3.39Å
25E91Very high91.1Very high127 Ų12788.3 Ų88.359%0.59345%0.45SS*.Hα-helixtrans-61-43.5176.4-176.3174.5-16100111.7F21 E22 A23 W27 C28 N29F21-E25 PolarHBondContact O-N 3.01Å; E22-E25 PolarHBondContact O-N 2.68Å; A23-E25 VanDerWaalsContact C-N 3.33Å; A23-E25 PolarHBondContact O-N 3.12Å; E25-W27 PolarHBondContact O-N 2.72Å; E25-C28 PolarHBondContact O-N 3.18Å; E25-N29 WeakPolarHBondContact CG-ND2 3.42Å; E25-N29 WeakPolarHBondContact O-CB 3.36Å; E25-N29 PolarHBondContact O-N 3.36Å; E25-N29 VanDerWaalsContact O-N 3.12Å; E25-N29 PolarHBondContact O-ND2 2.92Å; E25-N29 VanDerWaalsContact O-ND2 3.13Å
26Q90Very high91.5Very high88 Ų8888 Ų8841%0.41145%0.445SS..Hα-helixtrans-62.5-42.5175.3-70.7179.44.800112E22 A23 Q24 C28 N29 L30E22-Q26 WeakPolarHBondContact O-CG 3.25Å; E22-Q26 PolarHBondContact O-N 3.46Å; A23-Q26 PolarHBondContact O-N 2.88Å; Q24-Q26 PolarHBondContact O-N 3.26Å; Q26-C28 VanDerWaalsContact C-N 3.27Å; Q26-C28 PolarHBondContact O-N 3.4Å; Q26-N29 PolarHBondContact O-N 2.94Å; Q26-L30 HydrophobicContact CB-CD1 4.18Å; Q26-L30 WeakPolarHBondContact O-CB 3.2Å; Q26-L30 VanDerWaalsContact O-CG 3.23Å; Q26-L30 WeakPolarHBondContact O-CG 3.3Å; Q26-L30 PolarHBondContact O-N 3.42Å
27W89Confident91.7Very high111 Ų11188.5 Ų88.542%0.4244%0.444SS..Hα-helixtrans-62.9-33.3177.1-106.9-97.2000112.7A23 Q24 E25 F80A23-W27 HydrophobicContact CB-CE3 4.18Å; A23-W27 HydrophobicContact CB-CZ3 4.02Å; A23-W27 VanDerWaalsContact O-CE3 3.22Å; A23-W27 PolarHBondContact O-N 2.95Å; Q24-W27 PolarHBondContact O-N 3.36Å; E25-W27 PolarHBondContact O-N 2.72Å; W27-F80 HydrophobicContact CZ2-CE1 4.32Å; W27-F80 HydrophobicContact CZ2-CZ 4.48Å
28C86Confident91.9Very high109 Ų10984.1 Ų84.174%0.73642%0.421SS*.Hα-helixtrans-74.9-31.1176.7-71.90000113.5Q24 E25 Q26Q24-C28 PolarHBondContact O-N 3.06Å; Q24-C28 PolarHBondContact O-SG 3.48Å; Q24-C28 VanDerWaalsContact O-SG 3.39Å; E25-C28 PolarHBondContact O-N 3.18Å; Q26-C28 VanDerWaalsContact C-N 3.27Å; Q26-C28 PolarHBondContact O-N 3.4Å
29N86.9Confident92Very high110 Ų11081 Ų8159%0.58840%0.404SS*.Hα-helixtrans-100.9-18.3-169.1-70.8-33.8000114.6E25 Q26E25-N29 WeakPolarHBondContact CG-ND2 3.42Å; E25-N29 WeakPolarHBondContact O-CB 3.36Å; E25-N29 PolarHBondContact O-N 3.36Å; E25-N29 VanDerWaalsContact O-N 3.12Å; E25-N29 PolarHBondContact O-ND2 2.92Å; E25-N29 VanDerWaalsContact O-ND2 3.13Å; Q26-N29 PolarHBondContact O-N 2.94Å
30L88.9Confident92Very high77 Ų7777.5 Ų77.540%0.40339%0.389SS..  trans-92.4129.9-177.8-64.1174.9000112.1Q26 D32Q26-L30 HydrophobicContact CB-CD1 4.18Å; Q26-L30 WeakPolarHBondContact O-CB 3.2Å; Q26-L30 VanDerWaalsContact O-CG 3.23Å; Q26-L30 WeakPolarHBondContact O-CG 3.3Å; Q26-L30 PolarHBondContact O-N 3.42Å; L30-D32 VanDerWaalsContact C-N 3.27Å; L30-D32 WeakPolarHBondContact CB-OD1 3.38Å; L30-D32 PolarHBondContact O-N 3.1Å
31D87.7Confident92.2Very high165 Ų16580.5 Ų80.588%0.88240%0.402SS*.SBendtrans-87.511.8177.9-66.9-42.1000113.4R33D31-R33 VanDerWaalsContact C-N 3.35Å
32D92.9Very high92.2Very high62 Ų6280 Ų8033%0.33240%0.401SS..SBendtrans-91.97.7-175.972-16.6000113.3L30 I81L30-D32 VanDerWaalsContact C-N 3.27Å; L30-D32 WeakPolarHBondContact CB-OD1 3.38Å; L30-D32 PolarHBondContact O-N 3.1Å; D32-I81 PolarHBondContact O-N 2.85Å
33R93.3Very high92.2Very high47 Ų4776.4 Ų76.418%0.17739%0.385CS..EExtended strand (participates in β ladder)trans-149.8156-176.568-161.668.8-170.5-2.6113.1D31 L79 F80D31-R33 VanDerWaalsContact C-N 3.35Å; R33-L79 CarbonylContact C-O 3.56Å; R33-L79 VanDerWaalsContact CA-O 3.23Å; R33-L79 WeakPolarHBondContact CA-O 3.37Å; R33-F80 HydrophobicContact CB-CD1 3.97Å; R33-F80 HydrophobicContact CB-CE1 4.45Å
34L94.7Very high92.4Very high30 Ų3078.4 Ų78.416%0.15739%0.389CS..EExtended strand (participates in β ladder)trans-124.7132.7167.7177.667000108.6F36 N78 L79 I116 Y119L34-F36 HydrophobicContact CD1-CD1 4.46Å; L34-F36 HydrophobicContact CD1-CE1 3.95Å; L34-F36 HydrophobicContact CD2-CE1 4.19Å; L34-F36 HydrophobicContact CD2-CZ 4.29Å; L34-F36 HydrophobicContact CG-CE1 4.15Å; L34-N78 CarbonylContact O-C 3.53Å; L34-N78 VanDerWaalsContact O-CA 3.32Å; L34-N78 WeakPolarHBondContact O-CA 3.34Å; L34-L79 HydrophobicContact CB-CB 4.33Å; L34-L79 PolarHBondContact N-O 3.35Å; L34-L79 PolarHBondContact O-N 3.25Å; L34-I116 HydrophobicContact CB-CD1 4.41Å; L34-I116 HydrophobicContact CD2-CD1 4.12Å; L34-I116 HydrophobicContact CD2-CG1 3.63Å; L34-I116 HydrophobicContact CG-CD1 4.07Å; L34-I116 HydrophobicContact CG-CG1 4.13Å; L34-Y119 HydrophobicContact CD1-CD1 4.47Å; L34-Y119 HydrophobicContact CD1-CE1 4.09Å; L34-Y119 HydrophobicContact CD2-CD1 3.46Å; L34-Y119 VanDerWaalsContact CD2-CD1 3.46Å; L34-Y119 HydrophobicContact CD2-CE1 3.85Å; L34-Y119 HydrophobicContact CD2-CG 4.47Å
35T94.5Very high92.5Very high49 Ų4977.6 Ų77.630%0.30139%0.386SS..EExtended strand (participates in β ladder)trans-126.2129.2179.4-59.40000110I37 I77 N78T35-I37 HydrophobicContact CG2-CD1 4.12Å; T35-I77 CarbonylContact C-O 3.56Å; T35-I77 WeakPolarHBondContact CA-O 3.49Å; T35-N78 WeakPolarHBondContact CB-OD1 3.41Å; T35-N78 WeakPolarHBondContact CG2-OD1 3.37Å; T35-N78 PolarHBondContact OG1-OD1 3.18Å
36F97.2Very high92.5Very high60 Ų6074.9 Ų74.926%0.26338%0.375SS..EExtended strand (participates in β ladder)trans-111.5128.9165.8-68.4-12000110L34 D76 I77 I116 Y119L34-F36 HydrophobicContact CD1-CD1 4.46Å; L34-F36 HydrophobicContact CD1-CE1 3.95Å; L34-F36 HydrophobicContact CD2-CE1 4.19Å; L34-F36 HydrophobicContact CD2-CZ 4.29Å; L34-F36 HydrophobicContact CG-CE1 4.15Å; F36-D76 CarbonylContact O-C 3.59Å; F36-D76 VanDerWaalsContact O-CA 3.27Å; F36-D76 WeakPolarHBondContact O-CA 3.43Å; F36-I77 HydrophobicContact CB-CG2 3.76Å; F36-I77 PolarHBondContact N-O 3.18Å; F36-I77 PolarHBondContact O-N 3.03Å; F36-I116 HydrophobicContact CD2-CB 4.04Å; F36-I116 HydrophobicContact CD2-CG1 4.19Å; F36-I116 HydrophobicContact CE2-CB 4.13Å; F36-I116 HydrophobicContact CE2-CG1 4.2Å; F36-Y119 HydrophobicContact CE1-CD1 4.48Å; F36-Y119 HydrophobicContact CE1-CG 4.45Å; F36-Y119 HydrophobicContact CE2-CG 4.43Å; F36-Y119 AromaticContact CZ-CD1 3.96Å; F36-Y119 HydrophobicContact CZ-CD1 3.96Å; F36-Y119 AromaticContact CZ-CD2 3.91Å; F36-Y119 HydrophobicContact CZ-CD2 3.91Å; F36-Y119 AromaticContact CZ-CG 3.59Å; F36-Y119 HydrophobicContact CZ-CG 3.59Å
37I96.2Very high92.5Very high89 Ų8973 Ų7346%0.45637%0.365SS..EExtended strand (participates in β ladder)trans-84.5129.5168.7-54.8-56000108.6T35 L39 M73 D76T35-I37 HydrophobicContact CG2-CD1 4.12Å; I37-L39 HydrophobicContact CG2-CD2 3.98Å; I37-M73 HydrophobicContact CG2-CB 4.33Å; I37-M73 HydrophobicContact CG2-CE 4.1Å; I37-M73 HydrophobicContact CG2-CG 3.69Å; I37-M73 HydrophobicContact CG2-SD 3.88Å; I37-D76 HydrophobicContact CD1-CB 4.05Å
38L96.6Very high92.3Very high29 Ų2971.3 Ų71.315%0.15236%0.358CS..EExtended strand (participates in β ladder)trans-91.6118.5-176.8-55.1178.5000109.4I74 G75 I77 I98 A112L38-I74 HydrophobicContact CB-CG1 4.08Å; L38-I74 VanDerWaalsContact O-CG1 3.29Å; L38-I74 WeakPolarHBondContact O-CG1 3.34Å; L38-I74 PolarHBondContact O-N 2.98Å; L38-G75 WeakPolarHBondContact CB-O 3.34Å; L38-G75 PolarHBondContact N-O 2.89Å; L38-I77 HydrophobicContact CD2-CG2 4.23Å; L38-I98 HydrophobicContact CD1-CD1 3.58Å; L38-A112 HydrophobicContact CD1-CB 3.72Å; L38-A112 HydrophobicContact CD2-CB 3.68Å; L38-A112 HydrophobicContact CG-CB 4.35Å
39L96.8Very high92.4Very high60 Ų6069.5 Ų69.531%0.31435%0.347SS..EExtended strand (participates in β ladder)trans-106.3133.2179.2-55.2-173.2000111.1I37 K41 E69 S72 M73I37-L39 HydrophobicContact CG2-CD2 3.98Å; L39-K41 PolarHBondContact O-N 2.72Å; L39-E69 HydrophobicContact CD1-CB 4.2Å; L39-E69 HydrophobicContact CD1-CG 4.03Å; L39-E69 WeakPolarHBondContact CD2-O 3.42Å; L39-S72 CarbonylContact C-O 3.52Å; L39-S72 WeakPolarHBondContact CA-O 3.46Å; L39-M73 HydrophobicContact CD2-CB 4.3Å; L39-M73 HydrophobicContact CD2-CG 3.64Å
40S95.2Very high92.4Very high12 Ų1270.2 Ų70.28%0.08435%0.35CS..  trans-74.8109167.7-177.20000109.7Q42 L43 Y44 S72 Y103S40-Q42 PolarHBondContact O-N 2.92Å; S40-Q42 VanDerWaalsContact O-N 3.16Å; S40-L43 PolarHBondContact O-N 2.92Å; S40-L43 VanDerWaalsContact O-N 3.1Å; S40-Y44 PolarHBondContact O-N 3.5Å; S40-S72 PolarHBondContact N-O 2.94Å; S40-Y103 WeakPolarHBondContact OG-CE1 3.36Å; S40-Y103 PolarHBondContact OG-OH 2.79Å
41K93.2Very high92.1Very high120 Ų12068.7 Ų68.752%0.52234%0.342SS..Hα-helixtrans-49.4-42174.6-179.4176.5179.6174.10112.8L39 Y44 Q45 W209L39-K41 PolarHBondContact O-N 2.72Å; K41-Y44 PolarHBondContact O-N 2.76Å; K41-Q45 VanDerWaalsContact CE-NE2 3.35Å; K41-Q45 HydrophobicContact CG-CG 4.42Å; K41-Q45 WeakPolarHBondContact O-CB 3.5Å; K41-Q45 WeakPolarHBondContact O-CG 3.43Å; K41-Q45 PolarHBondContact O-N 3.15Å; K41-W209 HydrophobicContact CD-CH2 4.31Å
42Q92.9Very high91.4Very high106 Ų10662.8 Ų62.850%0.49531%0.311SS..Hα-helixtrans-65.6-47.7179.9-173.76353.400111.4S40 Y44 Q45 D46S40-Q42 PolarHBondContact O-N 2.92Å; S40-Q42 VanDerWaalsContact O-N 3.16Å; Q42-Y44 VanDerWaalsContact C-N 3.3Å; Q42-Y44 PolarHBondContact O-N 2.99Å; Q42-Q45 PolarHBondContact O-N 3.25Å; Q42-D46 VanDerWaalsContact NE2-CG 3.28Å; Q42-D46 PolarHBondContact NE2-OD1 3.37Å; Q42-D46 PolarHBondContact NE2-OD2 3.27Å; Q42-D46 WeakPolarHBondContact O-CB 3.36Å; Q42-D46 PolarHBondContact O-N 2.96Å
43L93.9Very high90.2Very high35 Ų3567.1 Ų67.118%0.18333%0.332CS..Hα-helixtrans-61.3-41.5177.5-67.1-179.3000111.7S40 D46 Y47 Y71 I74 Y103S40-L43 PolarHBondContact O-N 2.92Å; S40-L43 VanDerWaalsContact O-N 3.1Å; L43-D46 PolarHBondContact O-N 2.96Å; L43-Y47 VanDerWaalsContact O-CB 3.3Å; L43-Y47 WeakPolarHBondContact O-CB 3.25Å; L43-Y47 PolarHBondContact O-N 2.76Å; L43-Y71 HydrophobicContact CB-CD1 4.2Å; L43-Y71 HydrophobicContact CB-CE1 4.13Å; L43-Y71 HydrophobicContact CD2-CE1 4.08Å; L43-I74 HydrophobicContact CD1-CG2 4.25Å; L43-Y103 HydrophobicContact CD1-CE2 4.16Å; L43-Y103 VanDerWaalsContact CD1-OH 3.25Å; L43-Y103 WeakPolarHBondContact CD1-OH 3.26Å; L43-Y103 WeakPolarHBondContact CG-OH 3.5Å
44Y93.5Very high88.7Confident57 Ų5772.9 Ų72.922%0.22436%0.359CS..Hα-helixtrans-59.8-49177-173.9-84.5000111S40 K41 Q42 Y47 W48 H65 A68 E69S40-Y44 PolarHBondContact O-N 3.5Å; K41-Y44 PolarHBondContact O-N 2.76Å; Q42-Y44 VanDerWaalsContact C-N 3.3Å; Q42-Y44 PolarHBondContact O-N 2.99Å; Y44-Y47 PolarHBondContact O-N 3.37Å; Y44-W48 VanDerWaalsContact O-CB 3.25Å; Y44-W48 WeakPolarHBondContact O-CB 3.49Å; Y44-W48 PolarHBondContact O-N 3.1Å; Y44-H65 PolarHBondContact OH-ND1 3.5Å; Y44-A68 HydrophobicContact CD2-CB 3.73Å; Y44-A68 HydrophobicContact CE2-CB 3.57Å; Y44-A68 HydrophobicContact CG-CB 4.37Å; Y44-E69 HydrophobicContact CD2-CG 4.35Å; Y44-E69 HydrophobicContact CE2-CG 3.72Å
45Q91.5Very high87.1Confident86 Ų8673.4 Ų73.440%0.40236%0.363SS..Hα-helixtrans-65.7-38.9179.3-73.4178.1-26.900112.8K41 Q42 S49K41-Q45 VanDerWaalsContact CE-NE2 3.35Å; K41-Q45 HydrophobicContact CG-CG 4.42Å; K41-Q45 WeakPolarHBondContact O-CB 3.5Å; K41-Q45 WeakPolarHBondContact O-CG 3.43Å; K41-Q45 PolarHBondContact O-N 3.15Å; Q42-Q45 PolarHBondContact O-N 3.25Å; Q45-S49 VanDerWaalsContact O-CB 3.3Å; Q45-S49 WeakPolarHBondContact O-CB 3.26Å; Q45-S49 PolarHBondContact O-N 2.97Å; Q45-S49 PolarHBondContact O-OG 3.29Å
46D92Very high85.4Confident71 Ų7179.6 Ų79.638%0.3839%0.389SS..Hα-helixtrans-66.4-46.6177.2-70.7-19.9000110.8Q42 L43 W48 S49 L50Q42-D46 VanDerWaalsContact NE2-CG 3.28Å; Q42-D46 PolarHBondContact NE2-OD1 3.37Å; Q42-D46 PolarHBondContact NE2-OD2 3.27Å; Q42-D46 WeakPolarHBondContact O-CB 3.36Å; Q42-D46 PolarHBondContact O-N 2.96Å; L43-D46 PolarHBondContact O-N 2.96Å; D46-W48 PolarHBondContact O-N 3.32Å; D46-S49 PolarHBondContact O-N 3.49Å; D46-L50 WeakPolarHBondContact O-CB 3.37Å; D46-L50 VanDerWaalsContact O-CG 3.28Å; D46-L50 WeakPolarHBondContact O-CG 3.44Å; D46-L50 PolarHBondContact O-N 2.69Å
47Y90.5Very high83.4Confident47 Ų4783.6 Ų83.618%0.18441%0.412CS..Hα-helixtrans-60.1-48.1177.2-170.6-83.7000111.2L43 Y44 L50 N51 I64 N67 A68 Y71L43-Y47 VanDerWaalsContact O-CB 3.3Å; L43-Y47 WeakPolarHBondContact O-CB 3.25Å; L43-Y47 PolarHBondContact O-N 2.76Å; Y44-Y47 PolarHBondContact O-N 3.37Å; Y47-L50 PolarHBondContact O-N 3.48Å; Y47-N51 HydrophobicContact CE1-CB 4.31Å; Y47-N51 WeakPolarHBondContact CE1-ND2 3.25Å; Y47-N51 WeakPolarHBondContact O-CB 3.17Å; Y47-N51 PolarHBondContact O-N 3.22Å; Y47-N51 VanDerWaalsContact O-N 3.09Å; Y47-N51 PolarHBondContact O-ND2 3.47Å; Y47-I64 HydrophobicContact CE1-CG2 4.33Å; Y47-N67 HydrophobicContact CE1-CB 3.72Å; Y47-N67 VanDerWaalsContact OH-CB 3.28Å; Y47-N67 WeakPolarHBondContact OH-CB 3.17Å; Y47-A68 HydrophobicContact CD1-CB 3.58Å; Y47-A68 HydrophobicContact CE1-CB 4.28Å; Y47-A68 HydrophobicContact CG-CB 4.24Å; Y47-Y71 AromaticContact CD2-CD1 3.58Å; Y47-Y71 HydrophobicContact CD2-CD1 3.58Å; Y47-Y71 AromaticContact CD2-CD2 3.94Å; Y47-Y71 HydrophobicContact CD2-CD2 3.94Å; Y47-Y71 HydrophobicContact CD2-CE1 4.16Å; Y47-Y71 HydrophobicContact CD2-CE2 4.48Å; Y47-Y71 AromaticContact CD2-CG 3.44Å; Y47-Y71 HydrophobicContact CD2-CG 3.44Å; Y47-Y71 VanDerWaalsContact CD2-CG 3.44Å; Y47-Y71 HydrophobicContact CE2-CD2 4.23Å; Y47-Y71 HydrophobicContact CE2-CG 4.04Å; Y47-Y71 HydrophobicContact CG-CD1 4.04Å; Y47-Y71 HydrophobicContact CG-CG 4.21Å
48W84.3Confident81.8Confident77 Ų7786.6 Ų86.629%0.29243%0.429SS..Hα-helixtrans-57.1-51.4176.3-178.5-99.5000111.4Y44 D46 L50 N51 N52 I64 H65Y44-W48 VanDerWaalsContact O-CB 3.25Å; Y44-W48 WeakPolarHBondContact O-CB 3.49Å; Y44-W48 PolarHBondContact O-N 3.1Å; D46-W48 PolarHBondContact O-N 3.32Å; W48-L50 VanDerWaalsContact C-N 3.29Å; W48-L50 PolarHBondContact O-N 3.28Å; W48-N51 PolarHBondContact O-N 3.07Å; W48-N52 VanDerWaalsContact CD2-CG 3.45Å; W48-N52 VanDerWaalsContact CD2-OD1 3.24Å; W48-N52 WeakPolarHBondContact CH2-ND2 3.4Å; W48-N52 WeakPolarHBondContact CZ2-ND2 3.27Å; W48-N52 WeakPolarHBondContact CZ3-ND2 3.49Å; W48-N52 PolarHBondContact NE1-ND2 2.89Å; W48-N52 WeakPolarHBondContact O-CB 3.43Å; W48-N52 VanDerWaalsContact O-CG 3.24Å; W48-N52 PolarHBondContact O-N 2.74Å; W48-N52 PolarHBondContact O-OD1 3.26Å; W48-I64 HydrophobicContact CE3-CG2 3.81Å; W48-I64 HydrophobicContact CZ3-CB 4.48Å; W48-I64 HydrophobicContact CZ3-CG2 3.95Å; W48-H65 AromaticContact CH2-CD2 3.84Å; W48-H65 AromaticContact CH2-CE1 3.23Å; W48-H65 WeakPolarHBondContact CH2-CE1 3.26Å; W48-H65 AromaticContact CH2-NE2 3.06Å; W48-H65 WeakPolarHBondContact CH2-NE2 3.32Å; W48-H65 AromaticContact CZ3-CD2 3.61Å; W48-H65 AromaticContact CZ3-CE1 3.21Å; W48-H65 WeakPolarHBondContact CZ3-CE1 2.87Å; W48-H65 AromaticContact CZ3-CG 3.77Å; W48-H65 AromaticContact CZ3-ND1 3.53Å; W48-H65 AromaticContact CZ3-NE2 3.27Å; W48-H65 VanDerWaalsContact CZ3-NE2 3.27Å; W48-H65 WeakPolarHBondContact CZ3-NE2 3.38Å
49S87.7Confident80Confident70 Ų7093 Ų9349%0.4946%0.458SS..Hα-helixtrans-61.5-36.1-177.7-58.40000112.9Q45 D46Q45-S49 VanDerWaalsContact O-CB 3.3Å; Q45-S49 WeakPolarHBondContact O-CB 3.26Å; Q45-S49 PolarHBondContact O-N 2.97Å; Q45-S49 PolarHBondContact O-OG 3.29Å; D46-S49 PolarHBondContact O-N 3.49Å
50L87.1Confident78.3Confident125 Ų12592.3 Ų92.365%0.65446%0.458SS*.Hα-helixtrans-76.1-32180-71.6171.1000113.5D46 Y47 W48D46-L50 WeakPolarHBondContact O-CB 3.37Å; D46-L50 VanDerWaalsContact O-CG 3.28Å; D46-L50 WeakPolarHBondContact O-CG 3.44Å; D46-L50 PolarHBondContact O-N 2.69Å; Y47-L50 PolarHBondContact O-N 3.48Å; W48-L50 VanDerWaalsContact C-N 3.29Å; W48-L50 PolarHBondContact O-N 3.28Å
51N81.8Confident76.7Confident46 Ų4695.2 Ų95.225%0.24647%0.47CS..Hα-helixtrans-100.7-27.7-171.8-68.3-69000113.4Y47 W48 I53 K54 V55 I64Y47-N51 HydrophobicContact CE1-CB 4.31Å; Y47-N51 WeakPolarHBondContact CE1-ND2 3.25Å; Y47-N51 WeakPolarHBondContact O-CB 3.17Å; Y47-N51 PolarHBondContact O-N 3.22Å; Y47-N51 VanDerWaalsContact O-N 3.09Å; Y47-N51 PolarHBondContact O-ND2 3.47Å; W48-N51 PolarHBondContact O-N 3.07Å; N51-I53 VanDerWaalsContact C-N 3.29Å; N51-I53 PolarHBondContact O-N 3.27Å; N51-K54 PolarHBondContact O-N 3.4Å; N51-V55 WeakPolarHBondContact O-CG2 3.39Å; N51-I64 HydrophobicContact CB-CG2 4.36Å
52N74.4Confident75.2Confident41 Ų4195.7 Ų95.722%0.21948%0.478CS..G310 helixtrans-68.9-23.4-178.9-79.546.4000114.9W48 K54 I64W48-N52 VanDerWaalsContact CD2-CG 3.45Å; W48-N52 VanDerWaalsContact CD2-OD1 3.24Å; W48-N52 WeakPolarHBondContact CH2-ND2 3.4Å; W48-N52 WeakPolarHBondContact CZ2-ND2 3.27Å; W48-N52 WeakPolarHBondContact CZ3-ND2 3.49Å; W48-N52 PolarHBondContact NE1-ND2 2.89Å; W48-N52 WeakPolarHBondContact O-CB 3.43Å; W48-N52 VanDerWaalsContact O-CG 3.24Å; W48-N52 PolarHBondContact O-N 2.74Å; W48-N52 PolarHBondContact O-OD1 3.26Å; N52-K54 PolarHBondContact O-N 3.39Å; N52-I64 WeakPolarHBondContact OD1-CG2 3.25Å
53I66.3Low74.6Confident153 Ų15394.8 Ų94.879%0.78548%0.477SS*.G310 helixtrans-66.1-19.2177.2-61.1173.6000111.1N51N51-I53 VanDerWaalsContact C-N 3.29Å; N51-I53 PolarHBondContact O-N 3.27Å
54K62.8Low74Confident168 Ų16893.8 Ų93.873%0.7347%0.471SS*.G310 helixtrans-96.5-0.8-171.5-65-178179.71740114.9N51 N52N51-K54 PolarHBondContact O-N 3.4Å; N52-K54 PolarHBondContact O-N 3.39Å
55V60.3Low73.6Confident40 Ų4094.4 Ų94.424%0.24248%0.476CS..  trans-115.6109.3-158.5177.20000112.3N51 S60 Q61 I64N51-V55 WeakPolarHBondContact O-CG2 3.39Å; V55-S60 VanDerWaalsContact CG1-CB 3.44Å; V55-S60 WeakPolarHBondContact CG1-OG 3.21Å; V55-Q61 HydrophobicContact CG1-CG 4.02Å; V55-I64 HydrophobicContact CB-CD1 3.87Å; V55-I64 HydrophobicContact CG1-CD1 3.94Å; V55-I64 HydrophobicContact CG2-CD1 3.3Å; V55-I64 HydrophobicContact CG2-CG1 4.31Å
56E58.6Low73.4Confident180 Ų18095.8 Ų95.884%0.84148%0.482SS*.  trans-69.9138.1162.1-69.5-178.1171.200109.7D58 S60E56-D58 PolarHBondContact O-N 3.43Å; E56-S60 PolarHBondContact O-OG 3.13Å; E56-S60 VanDerWaalsContact O-OG 3.07Å
57L55.2Low73.3Confident143 Ų14395.1 Ų95.175%0.74948%0.479SS*.SBendtrans-67105.4-169.3-65.6151000111.8
58D62.8Low73.3Confident153 Ų15392.9 Ų92.982%0.81847%0.47SS*.SBendtrans-156.4-80.6156.2-139.3-20.5000112E56E56-D58 PolarHBondContact O-N 3.43Å
59E59.1Low73.7Confident163 Ų16392.3 Ų92.376%0.76247%0.471SS*.SBendtrans-117.8-13.3-179.1-69175.5163.500113.5Q61E59-Q61 VanDerWaalsContact C-N 3.28Å; E59-Q61 PolarHBondContact O-N 2.89Å
60S61.3Low73.9Confident46 Ų4694 Ų9432%0.32247%0.473SS..Hα-helixtrans-62.5-26.2-178.545.50000114V55 E56 I64V55-S60 VanDerWaalsContact CG1-CB 3.44Å; V55-S60 WeakPolarHBondContact CG1-OG 3.21Å; E56-S60 PolarHBondContact O-OG 3.13Å; E56-S60 VanDerWaalsContact O-OG 3.07Å; S60-I64 VanDerWaalsContact O-CG1 3.25Å; S60-I64 WeakPolarHBondContact O-CG1 3.06Å; S60-I64 PolarHBondContact O-N 2.98Å
61Q61.1Low74.2Confident72 Ų7294.3 Ų94.334%0.33647%0.467SS..Hα-helixtrans-73.8-36.4-178.2-70.3-162.62.800114.3V55 E59 N63 I64 H65V55-Q61 HydrophobicContact CG1-CG 4.02Å; E59-Q61 VanDerWaalsContact C-N 3.28Å; E59-Q61 PolarHBondContact O-N 2.89Å; Q61-N63 VanDerWaalsContact C-N 3.31Å; Q61-N63 PolarHBondContact O-N 3.31Å; Q61-I64 WeakPolarHBondContact O-CB 3.23Å; Q61-I64 PolarHBondContact O-N 3.12Å; Q61-I64 VanDerWaalsContact O-N 3.12Å; Q61-H65 PolarHBondContact O-CD2 3.06Å; Q61-H65 PolarHBondContact O-N 3.31Å; Q61-H65 VanDerWaalsContact O-N 3.11Å
62L62.8Low74.9Confident130 Ų13092.1 Ų92.168%0.68146%0.455SS*.Hα-helixtrans-60.3-45.6176-76.4166.7000110.2I64 H65 E66L62-I64 VanDerWaalsContact C-N 3.27Å; L62-I64 PolarHBondContact O-N 2.81Å; L62-H65 PolarHBondContact O-N 3.18Å; L62-E66 PolarHBondContact O-N 3.12Å; L62-E66 VanDerWaalsContact O-N 3.13Å
63N79.6Confident75.9Confident88 Ų8894.3 Ų94.347%0.47147%0.465SS..Hα-helixtrans-62.2-32.8175.7-161.8-28.1000112Q61 N67Q61-N63 VanDerWaalsContact C-N 3.31Å; Q61-N63 PolarHBondContact O-N 3.31Å; N63-N67 VanDerWaalsContact O-CB 3.25Å; N63-N67 WeakPolarHBondContact O-CB 3.46Å; N63-N67 PolarHBondContact O-N 2.96Å; N63-N67 PolarHBondContact O-ND2 2.79Å; N63-N67 PolarHBondContact OD1-ND2 3.11Å
64I82.2Confident77.4Confident13 Ų1387.4 Ų87.47%0.06743%0.43CS..Hα-helixtrans-68.3-43.1175.6-63.6159.5000111.7Y47 W48 N51 N52 V55 S60 Q61 L62 N67 A68Y47-I64 HydrophobicContact CE1-CG2 4.33Å; W48-I64 HydrophobicContact CE3-CG2 3.81Å; W48-I64 HydrophobicContact CZ3-CB 4.48Å; W48-I64 HydrophobicContact CZ3-CG2 3.95Å; N51-I64 HydrophobicContact CB-CG2 4.36Å; N52-I64 WeakPolarHBondContact OD1-CG2 3.25Å; V55-I64 HydrophobicContact CB-CD1 3.87Å; V55-I64 HydrophobicContact CG1-CD1 3.94Å; V55-I64 HydrophobicContact CG2-CD1 3.3Å; V55-I64 HydrophobicContact CG2-CG1 4.31Å; S60-I64 VanDerWaalsContact O-CG1 3.25Å; S60-I64 WeakPolarHBondContact O-CG1 3.06Å; S60-I64 PolarHBondContact O-N 2.98Å; Q61-I64 WeakPolarHBondContact O-CB 3.23Å; Q61-I64 PolarHBondContact O-N 3.12Å; Q61-I64 VanDerWaalsContact O-N 3.12Å; L62-I64 VanDerWaalsContact C-N 3.27Å; L62-I64 PolarHBondContact O-N 2.81Å; I64-N67 PolarHBondContact O-N 2.82Å; I64-A68 VanDerWaalsContact O-CB 3.26Å; I64-A68 WeakPolarHBondContact O-CB 3.05Å; I64-A68 PolarHBondContact O-N 3.39Å
65H84.3Confident78.9Confident70 Ų7079.8 Ų79.832%0.32440%0.398SS..Hα-helixtrans-60.1-51.8178.1-82.8-72.8000111Y44 W48 Q61 L62 N67 A68 E69Y44-H65 PolarHBondContact OH-ND1 3.5Å; W48-H65 AromaticContact CH2-CD2 3.84Å; W48-H65 AromaticContact CH2-CE1 3.23Å; W48-H65 WeakPolarHBondContact CH2-CE1 3.26Å; W48-H65 AromaticContact CH2-NE2 3.06Å; W48-H65 WeakPolarHBondContact CH2-NE2 3.32Å; W48-H65 AromaticContact CZ3-CD2 3.61Å; W48-H65 AromaticContact CZ3-CE1 3.21Å; W48-H65 WeakPolarHBondContact CZ3-CE1 2.87Å; W48-H65 AromaticContact CZ3-CG 3.77Å; W48-H65 AromaticContact CZ3-ND1 3.53Å; W48-H65 AromaticContact CZ3-NE2 3.27Å; W48-H65 VanDerWaalsContact CZ3-NE2 3.27Å; W48-H65 WeakPolarHBondContact CZ3-NE2 3.38Å; Q61-H65 PolarHBondContact O-CD2 3.06Å; Q61-H65 PolarHBondContact O-N 3.31Å; Q61-H65 VanDerWaalsContact O-N 3.11Å; L62-H65 PolarHBondContact O-N 3.18Å; H65-N67 VanDerWaalsContact C-N 3.33Å; H65-N67 PolarHBondContact O-N 2.86Å; H65-A68 WeakPolarHBondContact O-CB 2.81Å; H65-A68 PolarHBondContact O-N 2.96Å; H65-E69 WeakPolarHBondContact O-CG 3.08Å; H65-E69 PolarHBondContact O-N 2.74Å
66E86.8Confident80.6Confident115 Ų11579.2 Ų79.254%0.53739%0.394SS..Hα-helixtrans-58.1-45.5177.6-67.5174.4159.600111.5L62 A68 E69 I70L62-E66 PolarHBondContact O-N 3.12Å; L62-E66 VanDerWaalsContact O-N 3.13Å; E66-A68 VanDerWaalsContact C-N 3.32Å; E66-A68 PolarHBondContact O-N 2.96Å; E66-E69 PolarHBondContact O-N 2.86Å; E66-I70 WeakPolarHBondContact O-CB 3.48Å; E66-I70 VanDerWaalsContact O-CG1 3.25Å; E66-I70 WeakPolarHBondContact O-CG1 3.44Å; E66-I70 PolarHBondContact O-N 3.41Å
67N89.7Confident82.5Confident57 Ų5770.7 Ų70.731%0.30535%0.354SS..Hα-helixtrans-64.7-35.5176-73.3-42.4000112.9Y47 N63 I64 H65 Y71Y47-N67 HydrophobicContact CE1-CB 3.72Å; Y47-N67 VanDerWaalsContact OH-CB 3.28Å; Y47-N67 WeakPolarHBondContact OH-CB 3.17Å; N63-N67 VanDerWaalsContact O-CB 3.25Å; N63-N67 WeakPolarHBondContact O-CB 3.46Å; N63-N67 PolarHBondContact O-N 2.96Å; N63-N67 PolarHBondContact O-ND2 2.79Å; N63-N67 PolarHBondContact OD1-ND2 3.11Å; I64-N67 PolarHBondContact O-N 2.82Å; H65-N67 VanDerWaalsContact C-N 3.33Å; H65-N67 PolarHBondContact O-N 2.86Å; N67-Y71 WeakPolarHBondContact O-CB 3.29Å; N67-Y71 PolarHBondContact O-N 3.35Å
68A91.4Very high84.4Confident0 Ų064.5 Ų64.50%032%0.322CS..Hα-helixtrans-66.4-41.5176.200000110.7Y44 Y47 I64 H65 E66 S72Y44-A68 HydrophobicContact CD2-CB 3.73Å; Y44-A68 HydrophobicContact CE2-CB 3.57Å; Y44-A68 HydrophobicContact CG-CB 4.37Å; Y47-A68 HydrophobicContact CD1-CB 3.58Å; Y47-A68 HydrophobicContact CE1-CB 4.28Å; Y47-A68 HydrophobicContact CG-CB 4.24Å; I64-A68 VanDerWaalsContact O-CB 3.26Å; I64-A68 WeakPolarHBondContact O-CB 3.05Å; I64-A68 PolarHBondContact O-N 3.39Å; H65-A68 WeakPolarHBondContact O-CB 2.81Å; H65-A68 PolarHBondContact O-N 2.96Å; E66-A68 VanDerWaalsContact C-N 3.32Å; E66-A68 PolarHBondContact O-N 2.96Å; A68-S72 WeakPolarHBondContact O-CB 3.33Å; A68-S72 PolarHBondContact O-N 2.93Å; A68-S72 PolarHBondContact O-OG 3.16Å
69E92.6Very high86.1Confident65 Ų6557.2 Ų57.230%0.30428%0.283SS..Hα-helixtrans-60.3-56173.4-67.6-173.8157.900110.4L39 Y44 H65 E66 Y71 S72 M73L39-E69 HydrophobicContact CD1-CB 4.2Å; L39-E69 HydrophobicContact CD1-CG 4.03Å; L39-E69 WeakPolarHBondContact CD2-O 3.42Å; Y44-E69 HydrophobicContact CD2-CG 4.35Å; Y44-E69 HydrophobicContact CE2-CG 3.72Å; H65-E69 WeakPolarHBondContact O-CG 3.08Å; H65-E69 PolarHBondContact O-N 2.74Å; E66-E69 PolarHBondContact O-N 2.86Å; E69-Y71 VanDerWaalsContact C-N 3.33Å; E69-Y71 PolarHBondContact O-N 3.32Å; E69-S72 CarbonylContact O-C 3.56Å; E69-S72 PolarHBondContact O-N 3.12Å; E69-S72 PolarHBondContact O-OG 2.82Å; E69-M73 WeakPolarHBondContact O-CG 3.22Å; E69-M73 PolarHBondContact O-N 3.11Å; E69-M73 VanDerWaalsContact O-N 3.12Å
70I91.9Very high87.9Confident106 Ų10651.6 Ų51.654%0.54426%0.256SS..Hα-helixtrans-53.7-48.8177.8-66.8164.6000111.1E66 S72 M73E66-I70 WeakPolarHBondContact O-CB 3.48Å; E66-I70 VanDerWaalsContact O-CG1 3.25Å; E66-I70 WeakPolarHBondContact O-CG1 3.44Å; E66-I70 PolarHBondContact O-N 3.41Å; I70-S72 PolarHBondContact O-N 3.24Å; I70-M73 HydrophobicContact CG1-CE 4.27Å; I70-M73 PolarHBondContact O-N 3.47Å
71Y93.5Very high89.5Confident132 Ų13250.2 Ų50.252%0.51825%0.245SC..Hα-helixtrans-64.2-27.9-179.8-178.7-97.1000113L43 Y47 N67 E69L43-Y71 HydrophobicContact CB-CD1 4.2Å; L43-Y71 HydrophobicContact CB-CE1 4.13Å; L43-Y71 HydrophobicContact CD2-CE1 4.08Å; Y47-Y71 AromaticContact CD2-CD1 3.58Å; Y47-Y71 HydrophobicContact CD2-CD1 3.58Å; Y47-Y71 AromaticContact CD2-CD2 3.94Å; Y47-Y71 HydrophobicContact CD2-CD2 3.94Å; Y47-Y71 HydrophobicContact CD2-CE1 4.16Å; Y47-Y71 HydrophobicContact CD2-CE2 4.48Å; Y47-Y71 AromaticContact CD2-CG 3.44Å; Y47-Y71 HydrophobicContact CD2-CG 3.44Å; Y47-Y71 VanDerWaalsContact CD2-CG 3.44Å; Y47-Y71 HydrophobicContact CE2-CD2 4.23Å; Y47-Y71 HydrophobicContact CE2-CG 4.04Å; Y47-Y71 HydrophobicContact CG-CD1 4.04Å; Y47-Y71 HydrophobicContact CG-CG 4.21Å; N67-Y71 WeakPolarHBondContact O-CB 3.29Å; N67-Y71 PolarHBondContact O-N 3.35Å; E69-Y71 VanDerWaalsContact C-N 3.33Å; E69-Y71 PolarHBondContact O-N 3.32Å
72S96Very high91Very high0 Ų049.5 Ų49.50%025%0.246CC..Hα-helixtrans-94.4-2.5-17770.10000114.3L39 S40 A68 E69 I70 I74L39-S72 CarbonylContact C-O 3.52Å; L39-S72 WeakPolarHBondContact CA-O 3.46Å; S40-S72 PolarHBondContact N-O 2.94Å; A68-S72 WeakPolarHBondContact O-CB 3.33Å; A68-S72 PolarHBondContact O-N 2.93Å; A68-S72 PolarHBondContact O-OG 3.16Å; E69-S72 CarbonylContact O-C 3.56Å; E69-S72 PolarHBondContact O-N 3.12Å; E69-S72 PolarHBondContact O-OG 2.82Å; I70-S72 PolarHBondContact O-N 3.24Å; S72-I74 PolarHBondContact O-N 3.36Å
73M96.8Very high92.5Very high86 Ų8648.5 Ų48.542%0.42423%0.233SC..EExtended strand (participates in β ladder)trans-61.4125.9176.1-63.8-174.3-178.600110.9I37 L39 E69 I70I37-M73 HydrophobicContact CG2-CB 4.33Å; I37-M73 HydrophobicContact CG2-CE 4.1Å; I37-M73 HydrophobicContact CG2-CG 3.69Å; I37-M73 HydrophobicContact CG2-SD 3.88Å; L39-M73 HydrophobicContact CD2-CB 4.3Å; L39-M73 HydrophobicContact CD2-CG 3.64Å; E69-M73 WeakPolarHBondContact O-CG 3.22Å; E69-M73 PolarHBondContact O-N 3.11Å; E69-M73 VanDerWaalsContact O-N 3.12Å; I70-M73 HydrophobicContact CG1-CE 4.27Å; I70-M73 PolarHBondContact O-N 3.47Å
74I96.2Very high93Very high9 Ų944.8 Ų44.85%0.04621%0.214CC..EExtended strand (participates in β ladder)trans-122.5-5.517958.5165.8000113.3L38 L43 S72 I98 A99 E100 Y103 L108L38-I74 HydrophobicContact CB-CG1 4.08Å; L38-I74 VanDerWaalsContact O-CG1 3.29Å; L38-I74 WeakPolarHBondContact O-CG1 3.34Å; L38-I74 PolarHBondContact O-N 2.98Å; L43-I74 HydrophobicContact CD1-CG2 4.25Å; S72-I74 PolarHBondContact O-N 3.36Å; I74-I98 CarbonylContact O-C 3.57Å; I74-A99 PolarHBondContact O-N 2.89Å; I74-E100 HydrophobicContact CB-CB 4.32Å; I74-E100 HydrophobicContact CB-CG 4.4Å; I74-E100 HydrophobicContact CG2-CB 4.42Å; I74-E100 HydrophobicContact CG2-CG 4.36Å; I74-E100 PolarHBondContact O-N 3.27Å; I74-Y103 HydrophobicContact CB-CD2 4.15Å; I74-Y103 HydrophobicContact CB-CG 4.21Å; I74-Y103 HydrophobicContact CD1-CD1 3.96Å; I74-Y103 HydrophobicContact CD1-CG 4.05Å; I74-Y103 HydrophobicContact CG2-CD1 4.28Å; I74-Y103 HydrophobicContact CG2-CD2 3.59Å; I74-Y103 HydrophobicContact CG2-CE1 4.31Å; I74-Y103 HydrophobicContact CG2-CE2 3.63Å; I74-Y103 HydrophobicContact CG2-CG 3.93Å; I74-L108 HydrophobicContact CD1-CD1 3.81Å
75G95.6Very high93.2Very high7 Ų751.9 Ų51.97%0.07225%0.247CC..EExtended strand (participates in β ladder)trans161.6-167-17700000112.5L38 M97L38-G75 WeakPolarHBondContact CB-O 3.34Å; L38-G75 PolarHBondContact N-O 2.89Å; G75-M97 CarbonylContact C-O 3.54Å; G75-M97 WeakPolarHBondContact CA-O 3.3Å
76D96.2Very high93.1Very high29 Ų2954.1 Ų54.116%0.15527%0.265CS..EExtended strand (participates in β ladder)trans-152.9163.5-177.364.797.7000111.4F36 I37 N78 M97F36-D76 CarbonylContact O-C 3.59Å; F36-D76 VanDerWaalsContact O-CA 3.27Å; F36-D76 WeakPolarHBondContact O-CA 3.43Å; I37-D76 HydrophobicContact CD1-CB 4.05Å; D76-N78 PolarHBondContact OD1-ND2 3.4Å; D76-M97 PolarHBondContact N-O 3.28Å; D76-M97 PolarHBondContact O-N 3.2Å; D76-M97 WeakPolarHBondContact OD2-CE 3.18Å
77I96.9Very high93Very high0 Ų051.6 Ų51.60%026%0.255CS..EExtended strand (participates in β ladder)trans-136.8133.8167.6-178.1166.7000109.8T35 F36 L38 S95 V96 A112 L113 I116T35-I77 CarbonylContact C-O 3.56Å; T35-I77 WeakPolarHBondContact CA-O 3.49Å; F36-I77 HydrophobicContact CB-CG2 3.76Å; F36-I77 PolarHBondContact N-O 3.18Å; F36-I77 PolarHBondContact O-N 3.03Å; L38-I77 HydrophobicContact CD2-CG2 4.23Å; I77-S95 CarbonylContact C-O 3.3Å; I77-S95 WeakPolarHBondContact CA-O 3.46Å; I77-V96 HydrophobicContact CB-CB 4.31Å; I77-V96 HydrophobicContact CB-CG2 4.16Å; I77-V96 HydrophobicContact CD1-CB 4.09Å; I77-V96 HydrophobicContact CD1-CG2 4.26Å; I77-V96 HydrophobicContact CG1-CB 4.06Å; I77-V96 HydrophobicContact CG1-CG2 4.35Å; I77-A112 HydrophobicContact CB-CB 4.19Å; I77-A112 HydrophobicContact CD1-CB 4.1Å; I77-A112 HydrophobicContact CG2-CB 4Å; I77-L113 VanDerWaalsContact CD1-CA 3.46Å; I77-L113 HydrophobicContact CD1-CB 4.22Å; I77-L113 HydrophobicContact CD1-CD2 3.47Å; I77-L113 VanDerWaalsContact CD1-CD2 3.47Å; I77-L113 HydrophobicContact CD1-CG 3.82Å; I77-I116 HydrophobicContact CD1-CB 4.24Å; I77-I116 HydrophobicContact CD1-CG2 3.42Å; I77-I116 VanDerWaalsContact CD1-CG2 3.42Å; I77-I116 HydrophobicContact CG1-CD1 4.17Å; I77-I116 HydrophobicContact CG1-CG2 4Å; I77-I116 HydrophobicContact CG2-CB 4.29Å; I77-I116 HydrophobicContact CG2-CD1 4.12Å
78N96.4Very high93Very high13 Ų1354.2 Ų54.27%0.0727%0.269CS..EExtended strand (participates in β ladder)trans-116.8142.6177.9-55.5-75.6000110L34 T35 D76 F80 S95L34-N78 CarbonylContact O-C 3.53Å; L34-N78 VanDerWaalsContact O-CA 3.32Å; L34-N78 WeakPolarHBondContact O-CA 3.34Å; T35-N78 WeakPolarHBondContact CB-OD1 3.41Å; T35-N78 WeakPolarHBondContact CG2-OD1 3.37Å; T35-N78 PolarHBondContact OG1-OD1 3.18Å; D76-N78 PolarHBondContact OD1-ND2 3.4Å; N78-F80 HydrophobicContact CB-CD2 4.43Å; N78-F80 HydrophobicContact CB-CE1 4.41Å; N78-F80 HydrophobicContact CB-CE2 3.73Å; N78-F80 HydrophobicContact CB-CZ 3.72Å; N78-S95 PolarHBondContact N-O 2.99Å; N78-S95 PolarHBondContact O-N 2.91Å
79L97.6Very high93Very high0 Ų056.8 Ų56.80%028%0.283CS..EExtended strand (participates in β ladder)trans-122.4106.6168.917470.4000107.5R33 L34 I81 E93 L94 I116 L124 L128R33-L79 CarbonylContact C-O 3.56Å; R33-L79 VanDerWaalsContact CA-O 3.23Å; R33-L79 WeakPolarHBondContact CA-O 3.37Å; L34-L79 HydrophobicContact CB-CB 4.33Å; L34-L79 PolarHBondContact N-O 3.35Å; L34-L79 PolarHBondContact O-N 3.25Å; L79-I81 HydrophobicContact CG-CG1 4.45Å; L79-E93 CarbonylContact C-O 3.58Å; L79-E93 WeakPolarHBondContact CA-O 3.36Å; L79-L94 HydrophobicContact CD1-CD2 3.76Å; L79-L94 HydrophobicContact CD1-CG 4.34Å; L79-I116 HydrophobicContact CB-CD1 3.71Å; L79-I116 HydrophobicContact CB-CG1 4.24Å; L79-L124 HydrophobicContact CD2-CD1 4.24Å; L79-L128 HydrophobicContact CD1-CD1 4.28Å; L79-L128 HydrophobicContact CD2-CD1 4.15Å
80F96.5Very high93Very high45 Ų4557.3 Ų57.320%0.19728%0.284CS..EExtended strand (participates in β ladder)trans-89.6129.2175.5-52.8-83.3000109.7W27 R33 N78 G92 E93W27-F80 HydrophobicContact CZ2-CE1 4.32Å; W27-F80 HydrophobicContact CZ2-CZ 4.48Å; R33-F80 HydrophobicContact CB-CD1 3.97Å; R33-F80 HydrophobicContact CB-CE1 4.45Å; N78-F80 HydrophobicContact CB-CD2 4.43Å; N78-F80 HydrophobicContact CB-CE1 4.41Å; N78-F80 HydrophobicContact CB-CE2 3.73Å; N78-F80 HydrophobicContact CB-CZ 3.72Å; F80-G92 CarbonylContact O-C 3.52Å; F80-G92 WeakPolarHBondContact O-CA 3.22Å; F80-E93 HydrophobicContact CB-CB 4.25Å; F80-E93 HydrophobicContact CD2-CB 4.5Å; F80-E93 HydrophobicContact CD2-CG 4.47Å; F80-E93 PolarHBondContact N-O 3.46Å; F80-E93 PolarHBondContact O-N 2.92Å
81I95.7Very high93.2Very high17 Ų1752.7 Ų52.79%0.08726%0.26CS..EExtended strand (participates in β ladder)trans-106.9110.7-174.6-55.8167.4000107.5D32 L79 F90 L124 M126 L128D32-I81 PolarHBondContact O-N 2.85Å; L79-I81 HydrophobicContact CG-CG1 4.45Å; I81-F90 HydrophobicContact CG2-CD1 4.16Å; I81-L124 HydrophobicContact CD1-CD1 3.73Å; I81-L124 HydrophobicContact CD1-CD2 3.7Å; I81-L124 HydrophobicContact CD1-CG 4.38Å; I81-L124 HydrophobicContact CG1-CD1 4.45Å; I81-M126 HydrophobicContact CD1-CE 3.97Å; I81-M126 HydrophobicContact CG2-SD 4.34Å; I81-L128 HydrophobicContact CG2-CD2 4.2Å
82T93.5Very high93.3Very high58 Ų5846.4 Ų46.436%0.35624%0.236SC..EExtended strand (participates in β ladder)trans-129.1156.1-17763.70000111F90 E91T82-F90 WeakPolarHBondContact O-CA 3.31Å; T82-E91 PolarHBondContact N-O 3.11Å; T82-E91 PolarHBondContact O-N 2.99Å
83Y92.7Very high93.4Very high109 Ų10948.4 Ų48.443%0.42725%0.245SC..EExtended strand (participates in β ladder)trans-82.7117.1168.5-173.6-95.5000109.3H85 N88Y83-H85 AromaticContact CE1-ND1 3.86Å; Y83-N88 PolarHBondContact OH-O 3.33Å; Y83-N88 PolarHBondContact OH-OD1 3.16Å
84S89.7Confident93.4Very high10 Ų1044.5 Ų44.57%0.0723%0.226CC..EExtended strand (participates in β ladder)trans-97.5115.2-177.4-177.20000110.4T86 I87 N88 D89 E91S84-T86 PolarHBondContact O-N 2.86Å; S84-I87 PolarHBondContact O-N 3.45Å; S84-N88 VanDerWaalsContact O-CA 3.29Å; S84-N88 WeakPolarHBondContact O-CA 3.14Å; S84-N88 PolarHBondContact O-N 3.07Å; S84-D89 PolarHBondContact N-O 2.95Å; S84-D89 PolarHBondContact O-N 2.93Å; S84-E91 WeakPolarHBondContact CB-OE2 3.41Å; S84-E91 PolarHBondContact OG-OE2 3.47Å
85H87.6Confident93.4Very high161 Ų16146.3 Ų46.375%0.74524%0.24SC*.THydrogen-bonded Turntrans-64.3-24.9176.6-67.3-64000112.9Y83Y83-H85 AromaticContact CE1-ND1 3.86Å
86T82.4Confident93.4Very high117 Ų11747.4 Ų47.472%0.71825%0.245SC*.THydrogen-bonded Turntrans-66.2-39.1178.9-54.50000111.9S84S84-T86 PolarHBondContact O-N 2.86Å
87I85.2Confident93.2Very high62 Ų6247.8 Ų47.832%0.31825%0.246SC..THydrogen-bonded Turntrans-106.3-3.1178.160.8141.5000113.3S84 D89 N129S84-I87 PolarHBondContact O-N 3.45Å; I87-D89 HydrophobicContact CD1-CB 3.94Å; I87-D89 PolarHBondContact O-N 2.97Å; I87-N129 HydrophobicContact CD1-CB 4.28Å
88N88.8Confident93Very high113 Ų11348.9 Ų48.960%0.60425%0.251SS*.THydrogen-bonded Turntrans55.434.3-177.5-165.270.4000113.8Y83 S84Y83-N88 PolarHBondContact OH-O 3.33Å; Y83-N88 PolarHBondContact OH-OD1 3.16Å; S84-N88 VanDerWaalsContact O-CA 3.29Å; S84-N88 WeakPolarHBondContact O-CA 3.14Å; S84-N88 PolarHBondContact O-N 3.07Å
89D91.5Very high92.7Very high53 Ų5349.4 Ų49.428%0.28326%0.258SS..EExtended strand (participates in β ladder)trans-160-177.8-177.8-144-37.5000112.2S84 I87 N129S84-D89 PolarHBondContact N-O 2.95Å; S84-D89 PolarHBondContact O-N 2.93Å; I87-D89 HydrophobicContact CD1-CB 3.94Å; I87-D89 PolarHBondContact O-N 2.97Å; D89-N129 HydrophobicContact CB-CB 4.12Å; D89-N129 VanDerWaalsContact CG-ND2 3.28Å; D89-N129 PolarHBondContact OD2-ND2 3.13Å
90F92.7Very high92.4Very high77 Ų7754.2 Ų54.234%0.33828%0.28SS..EExtended strand (participates in β ladder)trans-68.6128.8178.3-67.7-74.6000113I81 T82 M126 L128 N129 S130I81-F90 HydrophobicContact CG2-CD1 4.16Å; T82-F90 WeakPolarHBondContact O-CA 3.31Å; F90-M126 HydrophobicContact CD1-CG 4.35Å; F90-M126 HydrophobicContact CD2-CB 4.06Å; F90-M126 HydrophobicContact CD2-CG 4.05Å; F90-M126 HydrophobicContact CE2-CB 4.15Å; F90-M126 HydrophobicContact CE2-CG 4.32Å; F90-M126 HydrophobicContact CG-CG 4.05Å; F90-L128 HydrophobicContact CB-CD2 4.49Å; F90-N129 PolarHBondContact O-N 3.5Å; F90-S130 PolarHBondContact O-N 3.37Å
91E94.8Very high92.1Very high8 Ų856 Ų564%0.03730%0.299CS..EExtended strand (participates in β ladder)trans-119.3133.9177.4175.6164.4-126.100110.5T82 S84 S130 V132 R155T82-E91 PolarHBondContact N-O 3.11Å; T82-E91 PolarHBondContact O-N 2.99Å; S84-E91 WeakPolarHBondContact CB-OE2 3.41Å; S84-E91 PolarHBondContact OG-OE2 3.47Å; E91-S130 CarbonylContact C-O 3.52Å; E91-S130 WeakPolarHBondContact CA-O 3.36Å; E91-S130 PolarHBondContact OE1-OG 3.49Å; E91-V132 HydrophobicContact CG-CG1 3.79Å; E91-V132 WeakPolarHBondContact OE1-CG1 3.31Å; E91-R155 IonicContact OE1-CZ 3.14Å; E91-R155 IonicContact OE1-NH1 2.63Å; E91-R155 PolarHBondContact OE1-NH1 2.89Å; E91-R155 IonicContact OE1-NH2 3.76Å; E91-R155 PolarHBondContact OE1-NH2 3.5Å; E91-R155 IonicContact OE2-NH2 3.2Å
92G97Very high91.9Very high0 Ų063.2 Ų63.20%033%0.329CS..EExtended strand (participates in β ladder)trans-99.2110.1172.900000111.4F80 S130 I131 V132F80-G92 CarbonylContact O-C 3.52Å; F80-G92 WeakPolarHBondContact O-CA 3.22Å; G92-S130 PolarHBondContact N-O 2.73Å; G92-I131 CarbonylContact O-C 3.57Å; G92-I131 VanDerWaalsContact O-CA 3.27Å; G92-I131 WeakPolarHBondContact O-CA 3.25Å; G92-V132 PolarHBondContact O-N 2.8Å
93E97.2Very high91.7Very high42 Ų4262.3 Ų62.320%0.19632%0.32CS..EExtended strand (participates in β ladder)trans-88.2120.6173.9-179.9177156.400110.8L79 F80 V132 K134L79-E93 CarbonylContact C-O 3.58Å; L79-E93 WeakPolarHBondContact CA-O 3.36Å; F80-E93 HydrophobicContact CB-CB 4.25Å; F80-E93 HydrophobicContact CD2-CB 4.5Å; F80-E93 HydrophobicContact CD2-CG 4.47Å; F80-E93 PolarHBondContact N-O 3.46Å; F80-E93 PolarHBondContact O-N 2.92Å; E93-V132 CarbonylContact C-O 3.55Å; E93-V132 WeakPolarHBondContact CA-O 3.34Å; E93-V132 HydrophobicContact CB-CG1 3.94Å; E93-V132 HydrophobicContact CG-CG1 4.21Å; E93-K134 HydrophobicContact CG-CD 4.5Å; E93-K134 HydrophobicContact CG-CG 4.39Å; E93-K134 IonicContact OE1-NZ 4Å; E93-K134 VanDerWaalsContact OE2-CE 3.23Å; E93-K134 WeakPolarHBondContact OE2-CE 3.14Å; E93-K134 IonicContact OE2-NZ 2.69Å; E93-K134 PolarHBondContact OE2-NZ 3.28Å
94L97.9Very high91.5Very high4 Ų460.9 Ų60.92%0.02131%0.314CS..EExtended strand (participates in β ladder)trans-92.6127.8-179.8-66.9168.1000110.8L79 L113 I116 L117 I131 V132 A133L79-L94 HydrophobicContact CD1-CD2 3.76Å; L79-L94 HydrophobicContact CD1-CG 4.34Å; L94-L113 HydrophobicContact CB-CD2 3.94Å; L94-L113 HydrophobicContact CD1-CD2 3.74Å; L94-L113 HydrophobicContact CD2-CD2 3.93Å; L94-L113 HydrophobicContact CG-CD2 4.09Å; L94-I116 HydrophobicContact CD2-CG2 4.06Å; L94-L117 HydrophobicContact CD1-CD1 4.21Å; L94-L117 HydrophobicContact CD1-CD2 4.35Å; L94-L117 HydrophobicContact CD2-CD2 4.1Å; L94-L117 HydrophobicContact CD2-CG 4.37Å; L94-I131 HydrophobicContact CD1-CG2 3.27Å; L94-I131 HydrophobicContact CG-CG2 3.92Å; L94-V132 PolarHBondContact N-O 3.12Å; L94-A133 HydrophobicContact CB-CB 4.5Å
95S95.2Very high91.2Very high48 Ų4864.5 Ų64.534%0.33635%0.352SS..EExtended strand (participates in β ladder)trans-130.9121.1169.3-1790000109.3I77 N78I77-S95 CarbonylContact C-O 3.3Å; I77-S95 WeakPolarHBondContact CA-O 3.46Å; N78-S95 PolarHBondContact N-O 2.99Å; N78-S95 PolarHBondContact O-N 2.91Å
96V95.2Very high91.1Very high30 Ų3062.3 Ų62.318%0.18234%0.342CS..EExtended strand (participates in β ladder)trans-127.3133.1-177.359.50000110.6I77 A109 A112 L113 F145 F146I77-V96 HydrophobicContact CB-CB 4.31Å; I77-V96 HydrophobicContact CB-CG2 4.16Å; I77-V96 HydrophobicContact CD1-CB 4.09Å; I77-V96 HydrophobicContact CD1-CG2 4.26Å; I77-V96 HydrophobicContact CG1-CB 4.06Å; I77-V96 HydrophobicContact CG1-CG2 4.35Å; V96-A109 HydrophobicContact CG1-CB 4.27Å; V96-A109 HydrophobicContact CG2-CB 3.92Å; V96-A112 HydrophobicContact CG2-CB 4.18Å; V96-L113 HydrophobicContact CG1-CD1 4.42Å; V96-L113 HydrophobicContact CG1-CD2 4.35Å; V96-L113 HydrophobicContact CG1-CG 4.36Å; V96-F145 HydrophobicContact CG1-CE1 4.43Å; V96-F146 HydrophobicContact CG1-CZ 4.45Å
97M93.2Very high91.4Very high37 Ų3757.7 Ų57.718%0.18232%0.318CS..EExtended strand (participates in β ladder)trans-130.8125.9179.3-177.7171.86100110.5M1 L6 T10 G75 D76 A99M1-M97 HydrophobicContact SD-CE 4.45Å; M1-M97 HydrophobicContact SD-SD 4.06Å; L6-M97 HydrophobicContact CD2-CG 4.36Å; L6-M97 HydrophobicContact CD2-SD 3.93Å; T10-M97 HydrophobicContact CG2-SD 4.04Å; G75-M97 CarbonylContact C-O 3.54Å; G75-M97 WeakPolarHBondContact CA-O 3.3Å; D76-M97 PolarHBondContact N-O 3.28Å; D76-M97 PolarHBondContact O-N 3.2Å; D76-M97 WeakPolarHBondContact OD2-CE 3.18Å; M97-A99 HydrophobicContact CE-CB 4.34Å; M97-A99 HydrophobicContact CG-CB 4.44Å
98I92.1Very high91.7Very high22 Ų2256.6 Ų56.611%0.11331%0.312CS..EExtended strand (participates in β ladder)trans-101.292.1163.7-52.9-58.4000106.7L38 I74 R104 L108 A109L38-I98 HydrophobicContact CD1-CD1 3.58Å; I74-I98 CarbonylContact O-C 3.57Å; I98-R104 HydrophobicContact CB-CG 4.06Å; I98-R104 HydrophobicContact CG2-CG 3.87Å; I98-R104 WeakPolarHBondContact O-CG 3.4Å; I98-R104 PolarHBondContact O-NE 2.77Å; I98-L108 HydrophobicContact CD1-CB 4.03Å; I98-A109 HydrophobicContact CD1-CB 4.5Å; I98-A109 HydrophobicContact CG1-CB 4.16Å
99A91.2Very high91.9Very high25 Ų2552.1 Ų52.121%0.20729%0.291CS..  trans-62.7-45-173.200000110.9I74 M97 S101 R104I74-A99 PolarHBondContact O-N 2.89Å; M97-A99 HydrophobicContact CE-CB 4.34Å; M97-A99 HydrophobicContact CG-CB 4.44Å; A99-S101 PolarHBondContact O-N 3.44Å; A99-R104 PolarHBondContact O-NH2 2.91Å
100E90.4Very high92Very high101 Ų10149.7 Ų49.747%0.47228%0.279SS..SBendtrans-78.9116.2-176.9-70.6-5813600112.2I74 K102 Y103I74-E100 HydrophobicContact CB-CB 4.32Å; I74-E100 HydrophobicContact CB-CG 4.4Å; I74-E100 HydrophobicContact CG2-CB 4.42Å; I74-E100 HydrophobicContact CG2-CG 4.36Å; I74-E100 PolarHBondContact O-N 3.27Å; E100-K102 PolarHBondContact O-N 2.94Å; E100-K102 VanDerWaalsContact O-N 3.13Å; E100-Y103 HydrophobicContact CB-CD2 3.66Å; E100-Y103 HydrophobicContact CB-CE2 4.38Å; E100-Y103 PolarHBondContact O-N 2.95Å
101S89.5Confident92Very high83 Ų8348.8 Ų48.858%0.5828%0.275SS*.G310 helixtrans-57.3-34.1-173.164.20000113.5A99 Y103 R104A99-S101 PolarHBondContact O-N 3.44Å; S101-Y103 PolarHBondContact O-N 3.48Å; S101-R104 PolarHBondContact O-N 3Å
102K91.8Very high92.1Very high168 Ų16848.8 Ų48.873%0.7328%0.277SS*.G310 helixtrans-63.2-23.2178.3-160.8-179.7-178.4-1740113.1E100 Q106E100-K102 PolarHBondContact O-N 2.94Å; E100-K102 VanDerWaalsContact O-N 3.13Å; K102-Q106 PolarHBondContact O-NE2 3.39Å
103Y90.7Very high92.2Very high39 Ų3948.8 Ų48.815%0.15328%0.277CS..G310 helixtrans-99.9-5.3-178.3-67-85.9000113.3S40 L43 I74 E100 S101 L108S40-Y103 WeakPolarHBondContact OG-CE1 3.36Å; S40-Y103 PolarHBondContact OG-OH 2.79Å; L43-Y103 HydrophobicContact CD1-CE2 4.16Å; L43-Y103 VanDerWaalsContact CD1-OH 3.25Å; L43-Y103 WeakPolarHBondContact CD1-OH 3.26Å; L43-Y103 WeakPolarHBondContact CG-OH 3.5Å; I74-Y103 HydrophobicContact CB-CD2 4.15Å; I74-Y103 HydrophobicContact CB-CG 4.21Å; I74-Y103 HydrophobicContact CD1-CD1 3.96Å; I74-Y103 HydrophobicContact CD1-CG 4.05Å; I74-Y103 HydrophobicContact CG2-CD1 4.28Å; I74-Y103 HydrophobicContact CG2-CD2 3.59Å; I74-Y103 HydrophobicContact CG2-CE1 4.31Å; I74-Y103 HydrophobicContact CG2-CE2 3.63Å; I74-Y103 HydrophobicContact CG2-CG 3.93Å; E100-Y103 HydrophobicContact CB-CD2 3.66Å; E100-Y103 HydrophobicContact CB-CE2 4.38Å; E100-Y103 PolarHBondContact O-N 2.95Å; S101-Y103 PolarHBondContact O-N 3.48Å; Y103-L108 HydrophobicContact CD1-CD1 4.12Å; Y103-L108 HydrophobicContact CG-CD1 4.49Å; Y103-L108 WeakPolarHBondContact O-CD1 3.5Å
104R88Confident92.1Very high79 Ų7947.1 Ų47.130%0.29827%0.27SS..THydrogen-bonded Turntrans-71.7154.4177.8-61.3179.7-167.1157.45.2111.3W5 I98 A99 S101 Q106W5-R104 VanDerWaalsContact CH2-NH1 3.27Å; I98-R104 HydrophobicContact CB-CG 4.06Å; I98-R104 HydrophobicContact CG2-CG 3.87Å; I98-R104 WeakPolarHBondContact O-CG 3.4Å; I98-R104 PolarHBondContact O-NE 2.77Å; A99-R104 PolarHBondContact O-NH2 2.91Å; S101-R104 PolarHBondContact O-N 3Å; R104-Q106 PolarHBondContact O-N 2.9Å
105G83Confident92.1Very high85 Ų8547.7 Ų47.788%0.87628%0.277SS*.THydrogen-bonded Turntrans73.85.2176.100000115.4
106Q86.4Confident92.2Very high116 Ų11645.4 Ų45.454%0.54226%0.261SS..SBendtrans-96.72.8-177-58.8-174.525.900114.1K102 R104 L108K102-Q106 PolarHBondContact O-NE2 3.39Å; R104-Q106 PolarHBondContact O-N 2.9Å; Q106-L108 VanDerWaalsContact C-N 3.35Å; Q106-L108 HydrophobicContact CB-CD1 4.49Å; Q106-L108 HydrophobicContact CB-CG 4.21Å
107G87.2Confident92.3Very high20 Ų2044 Ų4421%0.20625%0.252CS..SBendtrans88.3-5.6-176.800000114.9A109 A110 E111G107-A109 VanDerWaalsContact C-N 3.27Å; G107-A109 PolarHBondContact O-N 2.93Å; G107-A110 WeakPolarHBondContact O-CB 3.27Å; G107-A110 PolarHBondContact O-N 3.28Å; G107-E111 PolarHBondContact O-N 3.37Å
108L92Very high92.4Very high38 Ų3844.3 Ų44.320%0.19925%0.254CS..Hα-helixtrans-56.8-34.9-177.8-60.2176.4000114.2I74 I98 Y103 Q106 A110 E111 A112I74-L108 HydrophobicContact CD1-CD1 3.81Å; I98-L108 HydrophobicContact CD1-CB 4.03Å; Y103-L108 HydrophobicContact CD1-CD1 4.12Å; Y103-L108 HydrophobicContact CG-CD1 4.49Å; Y103-L108 WeakPolarHBondContact O-CD1 3.5Å; Q106-L108 VanDerWaalsContact C-N 3.35Å; Q106-L108 HydrophobicContact CB-CD1 4.49Å; Q106-L108 HydrophobicContact CB-CG 4.21Å; L108-A110 VanDerWaalsContact C-N 3.26Å; L108-A110 PolarHBondContact O-N 2.96Å; L108-E111 PolarHBondContact O-N 2.92Å; L108-A112 WeakPolarHBondContact O-CB 3.25Å; L108-A112 PolarHBondContact O-N 2.92Å
109A92.7Very high92.6Very high20 Ų2046.4 Ų46.417%0.16526%0.26CS..Hα-helixtrans-61.6-35.5175.400000112.2V96 I98 G107 L113 F145V96-A109 HydrophobicContact CG1-CB 4.27Å; V96-A109 HydrophobicContact CG2-CB 3.92Å; I98-A109 HydrophobicContact CD1-CB 4.5Å; I98-A109 HydrophobicContact CG1-CB 4.16Å; G107-A109 VanDerWaalsContact C-N 3.27Å; G107-A109 PolarHBondContact O-N 2.93Å; A109-L113 VanDerWaalsContact O-CG 3.24Å; A109-L113 WeakPolarHBondContact O-CG 3.23Å; A109-L113 PolarHBondContact O-N 3.12Å; A109-F145 HydrophobicContact CB-CE1 4.14Å; A109-F145 HydrophobicContact CB-CE2 4.25Å; A109-F145 HydrophobicContact CB-CZ 3.74Å
110A93.2Very high92.8Very high2 Ų245.4 Ų45.42%0.01725%0.252CS..Hα-helixtrans-73.9-36.2176.200000111.7G107 L108 A112 L113 A114 F145 L150 I194 L198G107-A110 WeakPolarHBondContact O-CB 3.27Å; G107-A110 PolarHBondContact O-N 3.28Å; L108-A110 VanDerWaalsContact C-N 3.26Å; L108-A110 PolarHBondContact O-N 2.96Å; A110-A112 VanDerWaalsContact C-N 3.34Å; A110-L113 PolarHBondContact O-N 2.81Å; A110-A114 WeakPolarHBondContact O-CB 3.38Å; A110-A114 PolarHBondContact O-N 2.91Å; A110-F145 HydrophobicContact CB-CE2 3.9Å; A110-F145 HydrophobicContact CB-CZ 3.95Å; A110-L150 HydrophobicContact CB-CD2 4.04Å; A110-I194 HydrophobicContact CB-CG2 3.99Å; A110-I194 WeakPolarHBondContact O-CG2 3.44Å; A110-L198 HydrophobicContact CB-CD1 3.88Å; A110-L198 HydrophobicContact CB-CD2 3.74Å; A110-L198 HydrophobicContact CB-CG 3.97Å
111E94.5Very high92.9Very high57 Ų5741.5 Ų41.527%0.26624%0.238SC..Hα-helixtrans-62.2-43.5172.6-65.6179.7-151.900111.4G107 L108 A114 G115 L198G107-E111 PolarHBondContact O-N 3.37Å; L108-E111 PolarHBondContact O-N 2.92Å; E111-A114 PolarHBondContact O-N 3.21Å; E111-G115 PolarHBondContact O-N 2.8Å; E111-L198 HydrophobicContact CG-CD1 3.96Å
112A96.6Very high93.1Very high9 Ų943.7 Ų43.77%0.07423%0.234CC..Hα-helixtrans-59.1-48174.900000111.7L38 I77 V96 L108 A110 A114 G115 I116L38-A112 HydrophobicContact CD1-CB 3.72Å; L38-A112 HydrophobicContact CD2-CB 3.68Å; L38-A112 HydrophobicContact CG-CB 4.35Å; I77-A112 HydrophobicContact CB-CB 4.19Å; I77-A112 HydrophobicContact CD1-CB 4.1Å; I77-A112 HydrophobicContact CG2-CB 4Å; V96-A112 HydrophobicContact CG2-CB 4.18Å; L108-A112 WeakPolarHBondContact O-CB 3.25Å; L108-A112 PolarHBondContact O-N 2.92Å; A110-A112 VanDerWaalsContact C-N 3.34Å; A112-A114 PolarHBondContact O-N 3.38Å; A112-G115 PolarHBondContact O-N 3.36Å; A112-I116 PolarHBondContact O-N 3.05Å
113L97.4Very high93.2Very high0 Ų038.7 Ų38.70%022%0.215CC..Hα-helixtrans-59.1-45.9176.1-71.7167.8000111.7I77 L94 V96 A109 A110 G115 L117 F145 F146 L150 I194I77-L113 VanDerWaalsContact CD1-CA 3.46Å; I77-L113 HydrophobicContact CD1-CB 4.22Å; I77-L113 HydrophobicContact CD1-CD2 3.47Å; I77-L113 VanDerWaalsContact CD1-CD2 3.47Å; I77-L113 HydrophobicContact CD1-CG 3.82Å; L94-L113 HydrophobicContact CB-CD2 3.94Å; L94-L113 HydrophobicContact CD1-CD2 3.74Å; L94-L113 HydrophobicContact CD2-CD2 3.93Å; L94-L113 HydrophobicContact CG-CD2 4.09Å; V96-L113 HydrophobicContact CG1-CD1 4.42Å; V96-L113 HydrophobicContact CG1-CD2 4.35Å; V96-L113 HydrophobicContact CG1-CG 4.36Å; A109-L113 VanDerWaalsContact O-CG 3.24Å; A109-L113 WeakPolarHBondContact O-CG 3.23Å; A109-L113 PolarHBondContact O-N 3.12Å; A110-L113 PolarHBondContact O-N 2.81Å; L113-G115 VanDerWaalsContact C-N 3.35Å; L113-G115 PolarHBondContact O-N 2.88Å; L113-L117 WeakPolarHBondContact O-CB 3.47Å; L113-L117 WeakPolarHBondContact O-CD1 3.48Å; L113-L117 WeakPolarHBondContact O-CG 3.32Å; L113-L117 PolarHBondContact O-N 2.85Å; L113-L117 VanDerWaalsContact O-N 3.07Å; L113-F145 HydrophobicContact CD1-CE1 3.58Å; L113-F145 HydrophobicContact CD1-CZ 3.69Å; L113-F146 HydrophobicContact CD1-CE1 3.9Å; L113-F146 HydrophobicContact CD1-CZ 4.23Å; L113-L150 HydrophobicContact CD1-CD1 3.61Å; L113-I194 HydrophobicContact CB-CD1 3.91Å
114A96.3Very high93.2Very high6 Ų638.6 Ų38.65%0.0522%0.217CC..Hα-helixtrans-60.1-45.4177.300000111.5A110 E111 A112 L117 E118 S191 I194 I195A110-A114 WeakPolarHBondContact O-CB 3.38Å; A110-A114 PolarHBondContact O-N 2.91Å; E111-A114 PolarHBondContact O-N 3.21Å; A112-A114 PolarHBondContact O-N 3.38Å; A114-L117 PolarHBondContact O-N 3.05Å; A114-E118 VanDerWaalsContact O-CB 3.24Å; A114-E118 WeakPolarHBondContact O-CB 3.48Å; A114-E118 PolarHBondContact O-N 3.33Å; A114-S191 WeakPolarHBondContact O-CB 3.28Å; A114-S191 PolarHBondContact O-OG 3.34Å; A114-I194 HydrophobicContact CB-CB 4.4Å; A114-I194 HydrophobicContact CB-CG2 4.05Å; A114-I195 HydrophobicContact CB-CD1 4.33Å; A114-I195 HydrophobicContact CB-CG1 3.84Å
115G96.6Very high93.3Very high16 Ų1640.9 Ų40.917%0.16524%0.242CC..Hα-helixtrans-63.4-48-179.400000113.5E111 A112 L113 L117 E118 Y119E111-G115 PolarHBondContact O-N 2.8Å; A112-G115 PolarHBondContact O-N 3.36Å; L113-G115 VanDerWaalsContact C-N 3.35Å; L113-G115 PolarHBondContact O-N 2.88Å; G115-L117 VanDerWaalsContact C-N 3.33Å; G115-L117 PolarHBondContact O-N 2.85Å; G115-E118 PolarHBondContact O-N 3.29Å; G115-Y119 WeakPolarHBondContact O-CB 3.47Å; G115-Y119 PolarHBondContact O-N 2.8Å
116I97.7Very high93.6Very high0 Ų039.1 Ų39.10%021%0.212CC..Hα-helixtrans-68.6-33.9-179.9-158.7167.5000111.9L34 F36 I77 L79 L94 A112 S120L34-I116 HydrophobicContact CB-CD1 4.41Å; L34-I116 HydrophobicContact CD2-CD1 4.12Å; L34-I116 HydrophobicContact CD2-CG1 3.63Å; L34-I116 HydrophobicContact CG-CD1 4.07Å; L34-I116 HydrophobicContact CG-CG1 4.13Å; F36-I116 HydrophobicContact CD2-CB 4.04Å; F36-I116 HydrophobicContact CD2-CG1 4.19Å; F36-I116 HydrophobicContact CE2-CB 4.13Å; F36-I116 HydrophobicContact CE2-CG1 4.2Å; I77-I116 HydrophobicContact CD1-CB 4.24Å; I77-I116 HydrophobicContact CD1-CG2 3.42Å; I77-I116 VanDerWaalsContact CD1-CG2 3.42Å; I77-I116 HydrophobicContact CG1-CD1 4.17Å; I77-I116 HydrophobicContact CG1-CG2 4Å; I77-I116 HydrophobicContact CG2-CB 4.29Å; I77-I116 HydrophobicContact CG2-CD1 4.12Å; L79-I116 HydrophobicContact CB-CD1 3.71Å; L79-I116 HydrophobicContact CB-CG1 4.24Å; L94-I116 HydrophobicContact CD2-CG2 4.06Å; A112-I116 PolarHBondContact O-N 3.05Å; I116-S120 VanDerWaalsContact O-CB 3.23Å; I116-S120 WeakPolarHBondContact O-CB 3.39Å; I116-S120 PolarHBondContact O-N 2.89Å; I116-S120 PolarHBondContact O-OG 3.29Å
117L97Very high93.7Very high0 Ų039.4 Ų39.40%021%0.211CC..Hα-helixtrans-72.7-38.1177-72.1175.1000112.3L94 L113 A114 G115 S120 G121 I131 A187 T190 I194L94-L117 HydrophobicContact CD1-CD1 4.21Å; L94-L117 HydrophobicContact CD1-CD2 4.35Å; L94-L117 HydrophobicContact CD2-CD2 4.1Å; L94-L117 HydrophobicContact CD2-CG 4.37Å; L113-L117 WeakPolarHBondContact O-CB 3.47Å; L113-L117 WeakPolarHBondContact O-CD1 3.48Å; L113-L117 WeakPolarHBondContact O-CG 3.32Å; L113-L117 PolarHBondContact O-N 2.85Å; L113-L117 VanDerWaalsContact O-N 3.07Å; A114-L117 PolarHBondContact O-N 3.05Å; G115-L117 VanDerWaalsContact C-N 3.33Å; G115-L117 PolarHBondContact O-N 2.85Å; L117-S120 VanDerWaalsContact CA-OG 3.27Å; L117-S120 WeakPolarHBondContact CA-OG 3.25Å; L117-S120 PolarHBondContact O-OG 3.46Å; L117-S120 VanDerWaalsContact O-OG 3.07Å; L117-G121 PolarHBondContact O-N 2.88Å; L117-I131 HydrophobicContact CD2-CD1 3.55Å; L117-I131 HydrophobicContact CD2-CG1 4.24Å; L117-I131 HydrophobicContact CD2-CG2 4.44Å; L117-A187 HydrophobicContact CD2-CB 4.35Å; L117-A187 WeakPolarHBondContact O-CB 3.24Å; L117-T190 HydrophobicContact CD1-CG2 3.54Å; L117-I194 HydrophobicContact CD1-CD1 3.76Å
118E95.9Very high93.9Very high45 Ų4539 Ų3921%0.2120%0.204CC..Hα-helixtrans-62.7-48173.1-174.2176.1-174.500110.8A114 G115 R122 L188A114-E118 VanDerWaalsContact O-CB 3.24Å; A114-E118 WeakPolarHBondContact O-CB 3.48Å; A114-E118 PolarHBondContact O-N 3.33Å; G115-E118 PolarHBondContact O-N 3.29Å; E118-R122 VanDerWaalsContact CD-NH1 3.31Å; E118-R122 VanDerWaalsContact CG-NH1 3.31Å; E118-R122 WeakPolarHBondContact O-CG 3.18Å; E118-R122 PolarHBondContact O-N 3.35Å; E118-R122 IonicContact OE1-CZ 3.08Å; E118-R122 IonicContact OE1-NH1 2.69Å; E118-R122 PolarHBondContact OE1-NH1 3.33Å; E118-R122 IonicContact OE1-NH2 2.67Å; E118-R122 PolarHBondContact OE1-NH2 3.34Å; E118-L188 HydrophobicContact CG-CD2 4.29Å
119Y96.4Very high93.8Very high66 Ų6641.3 Ų41.326%0.25922%0.217SC..Hα-helixtrans-61.9-49.1177.8-178.6-86000111.7L34 F36 G115 G121 R122 N123L34-Y119 HydrophobicContact CD1-CD1 4.47Å; L34-Y119 HydrophobicContact CD1-CE1 4.09Å; L34-Y119 HydrophobicContact CD2-CD1 3.46Å; L34-Y119 VanDerWaalsContact CD2-CD1 3.46Å; L34-Y119 HydrophobicContact CD2-CE1 3.85Å; L34-Y119 HydrophobicContact CD2-CG 4.47Å; F36-Y119 HydrophobicContact CE1-CD1 4.48Å; F36-Y119 HydrophobicContact CE1-CG 4.45Å; F36-Y119 HydrophobicContact CE2-CG 4.43Å; F36-Y119 AromaticContact CZ-CD1 3.96Å; F36-Y119 HydrophobicContact CZ-CD1 3.96Å; F36-Y119 AromaticContact CZ-CD2 3.91Å; F36-Y119 HydrophobicContact CZ-CD2 3.91Å; F36-Y119 AromaticContact CZ-CG 3.59Å; F36-Y119 HydrophobicContact CZ-CG 3.59Å; G115-Y119 WeakPolarHBondContact O-CB 3.47Å; G115-Y119 PolarHBondContact O-N 2.8Å; Y119-G121 PolarHBondContact O-N 3.38Å; Y119-R122 PolarHBondContact O-N 3.12Å; Y119-R122 VanDerWaalsContact O-N 3.11Å; Y119-N123 HydrophobicContact CD1-CB 4.15Å; Y119-N123 HydrophobicContact CE1-CB 3.77Å; Y119-N123 HydrophobicContact CE2-CB 4.42Å; Y119-N123 WeakPolarHBondContact O-CB 3.36Å; Y119-N123 PolarHBondContact O-N 2.66Å; Y119-N123 PolarHBondContact O-ND2 2.99Å
120S95.4Very high93.9Very high4 Ų440.5 Ų40.53%0.02821%0.21CC..Hα-helixtrans-63.6-42-176.9540000111.9I116 L117 R122 N123 L124I116-S120 VanDerWaalsContact O-CB 3.23Å; I116-S120 WeakPolarHBondContact O-CB 3.39Å; I116-S120 PolarHBondContact O-N 2.89Å; I116-S120 PolarHBondContact O-OG 3.29Å; L117-S120 VanDerWaalsContact CA-OG 3.27Å; L117-S120 WeakPolarHBondContact CA-OG 3.25Å; L117-S120 PolarHBondContact O-OG 3.46Å; L117-S120 VanDerWaalsContact O-OG 3.07Å; S120-R122 PolarHBondContact O-N 2.79Å; S120-N123 PolarHBondContact O-N 3.22Å; S120-L124 VanDerWaalsContact O-CB 3.28Å; S120-L124 WeakPolarHBondContact O-CB 3.38Å; S120-L124 WeakPolarHBondContact O-CG 3.43Å; S120-L124 PolarHBondContact O-N 3.18Å
121G93.2Very high94.1Very high18 Ų1840.4 Ų40.419%0.18621%0.209CC..Hα-helixtrans-60.8-24.717500000114.2L117 Y119 N185L117-G121 PolarHBondContact O-N 2.88Å; Y119-G121 PolarHBondContact O-N 3.38Å; G121-N185 WeakPolarHBondContact CA-OD1 3.39Å; G121-N185 PolarHBondContact O-ND2 2.88Å
122R92.9Very high94.2Very high129 Ų12937.7 Ų37.749%0.48720%0.197SC..Hα-helixtrans-94.7-32.2177.8-67.4-175-175.6131.69.8114.3E118 Y119 S120 L188E118-R122 VanDerWaalsContact CD-NH1 3.31Å; E118-R122 VanDerWaalsContact CG-NH1 3.31Å; E118-R122 WeakPolarHBondContact O-CG 3.18Å; E118-R122 PolarHBondContact O-N 3.35Å; E118-R122 IonicContact OE1-CZ 3.08Å; E118-R122 IonicContact OE1-NH1 2.69Å; E118-R122 PolarHBondContact OE1-NH1 3.33Å; E118-R122 IonicContact OE1-NH2 2.67Å; E118-R122 PolarHBondContact OE1-NH2 3.34Å; Y119-R122 PolarHBondContact O-N 3.12Å; Y119-R122 VanDerWaalsContact O-N 3.11Å; S120-R122 PolarHBondContact O-N 2.79Å; R122-L188 HydrophobicContact CG-CD2 4.06Å
123N93.8Very high94.2Very high63 Ų6337.3 Ų37.334%0.33719%0.193SC..Hα-helixtrans-117.4-17.5-162.8-64.7-85.8000114.4Y119 S120 R220Y119-N123 HydrophobicContact CD1-CB 4.15Å; Y119-N123 HydrophobicContact CE1-CB 3.77Å; Y119-N123 HydrophobicContact CE2-CB 4.42Å; Y119-N123 WeakPolarHBondContact O-CB 3.36Å; Y119-N123 PolarHBondContact O-N 2.66Å; Y119-N123 PolarHBondContact O-ND2 2.99Å; S120-N123 PolarHBondContact O-N 3.22Å; N123-R220 PolarHBondContact OD1-NH2 3.48Å
124L91.8Very high94.1Very high37 Ų3741 Ų4119%0.19421%0.209CC..  trans-67.9136.2177.4-73.9-173.5000110.9L79 I81 S120 M126 L128L79-L124 HydrophobicContact CD2-CD1 4.24Å; I81-L124 HydrophobicContact CD1-CD1 3.73Å; I81-L124 HydrophobicContact CD1-CD2 3.7Å; I81-L124 HydrophobicContact CD1-CG 4.38Å; I81-L124 HydrophobicContact CG1-CD1 4.45Å; S120-L124 VanDerWaalsContact O-CB 3.28Å; S120-L124 WeakPolarHBondContact O-CB 3.38Å; S120-L124 WeakPolarHBondContact O-CG 3.43Å; S120-L124 PolarHBondContact O-N 3.18Å; L124-M126 HydrophobicContact CB-CE 3.6Å; L124-M126 WeakPolarHBondContact CB-O 3.38Å; L124-M126 HydrophobicContact CD1-CE 4.04Å; L124-M126 HydrophobicContact CD2-CE 3.75Å; L124-M126 HydrophobicContact CG-CE 3.97Å; L124-M126 PolarHBondContact O-N 3.47Å; L124-L128 HydrophobicContact CD1-CD1 4.14Å; L124-L128 HydrophobicContact CD1-CD2 4.24Å; L124-L128 HydrophobicContact CD1-CG 4.13Å
125P89.8Confident94Very high127 Ų12741 Ų4183%0.82521%0.209SC*.SBendtrans-67.6-23.2177.625.4-35.7000113.6
126M87.6Confident93.9Very high49 Ų4940.9 Ų40.924%0.24121%0.206CC..SBendtrans-109.1157.6171.365.1-91.7110.900111.4I81 F90 L124I81-M126 HydrophobicContact CD1-CE 3.97Å; I81-M126 HydrophobicContact CG2-SD 4.34Å; F90-M126 HydrophobicContact CD1-CG 4.35Å; F90-M126 HydrophobicContact CD2-CB 4.06Å; F90-M126 HydrophobicContact CD2-CG 4.05Å; F90-M126 HydrophobicContact CE2-CB 4.15Å; F90-M126 HydrophobicContact CE2-CG 4.32Å; F90-M126 HydrophobicContact CG-CG 4.05Å; L124-M126 HydrophobicContact CB-CE 3.6Å; L124-M126 WeakPolarHBondContact CB-O 3.38Å; L124-M126 HydrophobicContact CD1-CE 4.04Å; L124-M126 HydrophobicContact CD2-CE 3.75Å; L124-M126 HydrophobicContact CG-CE 3.97Å; L124-M126 PolarHBondContact O-N 3.47Å
127K88.5Confident93.8Very high122 Ų12242.7 Ų42.753%0.5321%0.214SC..  trans-86.9140.7169.5-67.4-172173.4-163.90110.1K184K127-K184 PolarHBondContact NZ-O 2.69Å
128L92.4Very high93.6Very high10 Ų1046.9 Ų46.95%0.05224%0.24CC..  trans-83.8124.4167.8-57.6178.2000108.9L79 I81 F90 L124 I131 L186L79-L128 HydrophobicContact CD1-CD1 4.28Å; L79-L128 HydrophobicContact CD2-CD1 4.15Å; I81-L128 HydrophobicContact CG2-CD2 4.2Å; F90-L128 HydrophobicContact CB-CD2 4.49Å; L124-L128 HydrophobicContact CD1-CD1 4.14Å; L124-L128 HydrophobicContact CD1-CD2 4.24Å; L124-L128 HydrophobicContact CD1-CG 4.13Å; L128-I131 HydrophobicContact CD1-CG1 4.37Å; L128-L186 WeakPolarHBondContact O-CB 3.27Å
129N90.7Very high93.4Very high88 Ų8845.6 Ų45.647%0.47124%0.235SC..SBendtrans-102.2-6.8175.5-76.2-23.1000112.4I87 D89 F90 L186I87-N129 HydrophobicContact CD1-CB 4.28Å; D89-N129 HydrophobicContact CB-CB 4.12Å; D89-N129 VanDerWaalsContact CG-ND2 3.28Å; D89-N129 PolarHBondContact OD2-ND2 3.13Å; F90-N129 PolarHBondContact O-N 3.5Å; N129-L186 VanDerWaalsContact C-CD2 3.45Å; N129-L186 WeakPolarHBondContact O-CD2 3.16Å
130S94.2Very high93.2Very high3 Ų347.7 Ų47.72%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-142.3149.3160.2-171.10000110.7F90 E91 G92 R155 Q171F90-S130 PolarHBondContact O-N 3.37Å; E91-S130 CarbonylContact C-O 3.52Å; E91-S130 WeakPolarHBondContact CA-O 3.36Å; E91-S130 PolarHBondContact OE1-OG 3.49Å; G92-S130 PolarHBondContact N-O 2.73Å; S130-R155 PolarHBondContact OG-NH1 2.69Å; S130-R155 VanDerWaalsContact OG-NH1 3.14Å; S130-Q171 PolarHBondContact OG-NE2 2.78Å
131I96.6Very high92.9Very high0 Ų051.6 Ų51.60%027%0.274CS..EExtended strand (participates in β ladder)trans-121.5136166.1-68.5163.8000106.4G92 L94 L117 L128 V167 P168 Q171 L186 A187 T190G92-I131 CarbonylContact O-C 3.57Å; G92-I131 VanDerWaalsContact O-CA 3.27Å; G92-I131 WeakPolarHBondContact O-CA 3.25Å; L94-I131 HydrophobicContact CD1-CG2 3.27Å; L94-I131 HydrophobicContact CG-CG2 3.92Å; L117-I131 HydrophobicContact CD2-CD1 3.55Å; L117-I131 HydrophobicContact CD2-CG1 4.24Å; L117-I131 HydrophobicContact CD2-CG2 4.44Å; L128-I131 HydrophobicContact CD1-CG1 4.37Å; I131-V167 WeakPolarHBondContact O-CG1 3.35Å; I131-P168 HydrophobicContact CB-CG 4.07Å; I131-P168 HydrophobicContact CG2-CG 4.12Å; I131-P168 WeakPolarHBondContact O-CD 3.35Å; I131-Q171 PolarHBondContact O-NE2 3.07Å; I131-Q171 PolarHBondContact O-OE1 3.07Å; I131-L186 HydrophobicContact CD1-CD2 4.36Å; I131-L186 HydrophobicContact CD1-CG 3.97Å; I131-L186 HydrophobicContact CG1-CD2 4.23Å; I131-L186 HydrophobicContact CG1-CG 4.39Å; I131-A187 HydrophobicContact CD1-CB 4.23Å; I131-T190 HydrophobicContact CD1-CG2 4.39Å
132V96.5Very high92.9Very high0 Ų052.2 Ų52.20%028%0.276CS..EExtended strand (participates in β ladder)trans-137.1144.1178.764.10000110.2E91 G92 E93 L94 K134 E165 F166 V167E91-V132 HydrophobicContact CG-CG1 3.79Å; E91-V132 WeakPolarHBondContact OE1-CG1 3.31Å; G92-V132 PolarHBondContact O-N 2.8Å; E93-V132 CarbonylContact C-O 3.55Å; E93-V132 WeakPolarHBondContact CA-O 3.34Å; E93-V132 HydrophobicContact CB-CG1 3.94Å; E93-V132 HydrophobicContact CG-CG1 4.21Å; L94-V132 PolarHBondContact N-O 3.12Å; V132-K134 HydrophobicContact CG2-CG 4.28Å; V132-E165 HydrophobicContact CG2-CB 3.85Å; V132-E165 HydrophobicContact CG2-CG 4.15Å; V132-F166 CarbonylContact C-O 3.52Å; V132-F166 WeakPolarHBondContact CA-O 3.36Å; V132-V167 HydrophobicContact CB-CG1 4.31Å; V132-V167 HydrophobicContact CG2-CG1 4.28Å
133A97.3Very high93Very high1 Ų146.6 Ų46.61%0.00826%0.255CS..EExtended strand (participates in β ladder)trans-114.4122.1162.500000108.4L94 F146 F166L94-A133 HydrophobicContact CB-CB 4.5Å; A133-F146 HydrophobicContact CB-CD1 3.78Å; A133-F146 HydrophobicContact CB-CD2 4.11Å; A133-F146 HydrophobicContact CB-CE1 3.38Å; A133-F146 HydrophobicContact CB-CE2 3.73Å; A133-F146 HydrophobicContact CB-CG 4.14Å; A133-F146 HydrophobicContact CB-CZ 3.34Å; A133-F166 HydrophobicContact CB-CB 4.49Å; A133-F166 PolarHBondContact N-O 2.77Å; A133-F166 PolarHBondContact O-N 3.2Å
134K95.2Very high92.9Very high77 Ų7746.8 Ų46.834%0.33526%0.256SS..EExtended strand (participates in β ladder)trans-94.7126.2175.4-61.6-173.3-175.7153.50109E93 V132 E165E93-K134 HydrophobicContact CG-CD 4.5Å; E93-K134 HydrophobicContact CG-CG 4.39Å; E93-K134 IonicContact OE1-NZ 4Å; E93-K134 VanDerWaalsContact OE2-CE 3.23Å; E93-K134 WeakPolarHBondContact OE2-CE 3.14Å; E93-K134 IonicContact OE2-NZ 2.69Å; E93-K134 PolarHBondContact OE2-NZ 3.28Å; V132-K134 HydrophobicContact CG2-CG 4.28Å; K134-E165 HydrophobicContact CG-CG 4.32Å
135V95.2Very high92.9Very high7 Ų746.6 Ų46.64%0.04225%0.254CS..EExtended strand (participates in β ladder)trans-132.2128.9-172.8-176.40000109.9M137 N139 S142 I143 F146 E163 I164 F166V135-M137 PolarHBondContact O-N 3.02Å; V135-N139 HydrophobicContact CG1-CB 4.13Å; V135-S142 VanDerWaalsContact CG1-CB 3.45Å; V135-I143 HydrophobicContact CG1-CG1 3.89Å; V135-F146 HydrophobicContact CG2-CD2 3.65Å; V135-F146 HydrophobicContact CG2-CE2 3.89Å; V135-E163 CarbonylContact O-C 3.57Å; V135-E163 WeakPolarHBondContact O-CA 3.21Å; V135-I164 PolarHBondContact N-O 3.32Å; V135-I164 PolarHBondContact O-N 3.38Å; V135-F166 HydrophobicContact CB-CD2 4.26Å; V135-F166 HydrophobicContact CB-CE2 4.18Å; V135-F166 HydrophobicContact CG2-CD2 3.89Å; V135-F166 HydrophobicContact CG2-CE2 4.23Å
136S94.5Very high93.1Very high13 Ų1341 Ų419%0.09122%0.216CC..EExtended strand (participates in β ladder)trans-55.1136.4172170.70000111.3T138 N139 N162S136-T138 PolarHBondContact O-N 3.25Å; S136-T138 VanDerWaalsContact O-N 3.11Å; S136-T138 PolarHBondContact OG-N 3.39Å; S136-T138 PolarHBondContact OG-OG1 2.86Å; S136-N139 PolarHBondContact O-N 3.37Å; S136-N162 CarbonylContact C-O 3.59Å; S136-N162 WeakPolarHBondContact CA-O 3.39Å
137M94.9Very high93.4Very high37 Ų3742.4 Ų42.418%0.18222%0.223CC..THydrogen-bonded Turntrans-61.3-20178.1-68-171.4-157.800113.2V135 R157 N158 N162 E163 I164V135-M137 PolarHBondContact O-N 3.02Å; M137-R157 HydrophobicContact CE-CG 3.33Å; M137-R157 HydrophobicContact SD-CG 4.3Å; M137-N158 VanDerWaalsContact CE-O 3.23Å; M137-N158 WeakPolarHBondContact CE-O 3.47Å; M137-N162 WeakPolarHBondContact CB-OD1 3.42Å; M137-N162 WeakPolarHBondContact CG-O 3.46Å; M137-N162 PolarHBondContact N-O 2.78Å; M137-E163 VanDerWaalsContact CE-O 3.25Å; M137-E163 WeakPolarHBondContact CE-O 3.42Å; M137-I164 HydrophobicContact CG-CD1 4.14Å; M137-I164 HydrophobicContact CG-CG1 3.74Å
138T92.7Very high93.5Very high89 Ų8940.2 Ų40.255%0.54622%0.217SC..THydrogen-bonded Turntrans-87.7-14.2175.659.70000112.8S136 Q140S136-T138 PolarHBondContact O-N 3.25Å; S136-T138 VanDerWaalsContact O-N 3.11Å; S136-T138 PolarHBondContact OG-N 3.39Å; S136-T138 PolarHBondContact OG-OG1 2.86Å; T138-Q140 VanDerWaalsContact C-N 3.32Å; T138-Q140 PolarHBondContact O-N 2.86Å
139N91.8Very high93.2Very high18 Ų1845.7 Ų45.710%0.09624%0.237CC..  trans-8472.7-179.8-169.9-16.4000111.5T9 V135 S136 S141 S142 I143T9-N139 PolarHBondContact O-ND2 2.64Å; V135-N139 HydrophobicContact CG1-CB 4.13Å; S136-N139 PolarHBondContact O-N 3.37Å; N139-S141 PolarHBondContact O-N 2.95Å; N139-S141 VanDerWaalsContact O-N 3.15Å; N139-S141 PolarHBondContact OD1-N 2.87Å; N139-S142 PolarHBondContact ND2-OG 2.69Å; N139-S142 VanDerWaalsContact ND2-OG 3.12Å; N139-S142 PolarHBondContact O-N 3.27Å; N139-S142 PolarHBondContact OD1-N 2.99Å; N139-S142 PolarHBondContact OD1-OG 2.94Å; N139-I143 WeakPolarHBondContact O-CG1 3.32Å; N139-I143 PolarHBondContact O-N 2.85Å
140Q92.1Very high93.2Very high109 Ų10941.7 Ų41.751%0.50922%0.215SC..Hα-helixtrans-58.6-29.7-178.4-168.161.655.400113.2T138 N144T138-Q140 VanDerWaalsContact C-N 3.32Å; T138-Q140 PolarHBondContact O-N 2.86Å; Q140-N144 PolarHBondContact NE2-OD1 2.81Å; Q140-N144 VanDerWaalsContact O-CB 3.31Å; Q140-N144 WeakPolarHBondContact O-CB 3.33Å; Q140-N144 PolarHBondContact O-N 3.32Å; Q140-N144 PolarHBondContact O-ND2 3.25Å
141S89.7Confident93.2Very high86 Ų8646.8 Ų46.860%0.60124%0.237SC*.Hα-helixtrans-64.4-51177.4-177.20000111N139 N144 F145N139-S141 PolarHBondContact O-N 2.95Å; N139-S141 VanDerWaalsContact O-N 3.15Å; N139-S141 PolarHBondContact OD1-N 2.87Å; S141-N144 PolarHBondContact O-N 2.76Å; S141-F145 WeakPolarHBondContact O-CB 3.16Å; S141-F145 PolarHBondContact O-N 3.48Å
142S92.6Very high93.1Very high32 Ų3246.9 Ų46.922%0.22424%0.238CC..Hα-helixtrans-68.6-36.5178-670000112.3V135 N139 F145 F146V135-S142 VanDerWaalsContact CG1-CB 3.45Å; N139-S142 PolarHBondContact ND2-OG 2.69Å; N139-S142 VanDerWaalsContact ND2-OG 3.12Å; N139-S142 PolarHBondContact O-N 3.27Å; N139-S142 PolarHBondContact OD1-N 2.99Å; N139-S142 PolarHBondContact OD1-OG 2.94Å; S142-F145 WeakPolarHBondContact O-CB 3.23Å; S142-F145 PolarHBondContact O-N 2.85Å; S142-F146 WeakPolarHBondContact O-CD2 3.33Å; S142-F146 PolarHBondContact O-N 2.7Å
143I94.1Very high93.1Very high11 Ų1149 Ų496%0.05625%0.248CC..Hα-helixtrans-57.8-51.8172.4-68.2167.9000110.3V135 N139 F145 F146 Q147 I164 F166V135-I143 HydrophobicContact CG1-CG1 3.89Å; N139-I143 WeakPolarHBondContact O-CG1 3.32Å; N139-I143 PolarHBondContact O-N 2.85Å; I143-F145 VanDerWaalsContact C-N 3.26Å; I143-F145 PolarHBondContact O-N 2.87Å; I143-F146 PolarHBondContact O-N 2.82Å; I143-Q147 WeakPolarHBondContact O-CB 3.32Å; I143-Q147 PolarHBondContact O-N 2.82Å; I143-I164 HydrophobicContact CD1-CD1 3.69Å; I143-I164 HydrophobicContact CG1-CD1 3.97Å; I143-F166 HydrophobicContact CG1-CE2 4.3Å; I143-F166 HydrophobicContact CG2-CZ 4.18Å
144N91.9Very high93Very high66 Ų6652.6 Ų52.635%0.35327%0.265SS..Iπ-helixtrans-62.5-35.4177.8-73-19.6000112.1Q140 S141 N148 R149Q140-N144 PolarHBondContact NE2-OD1 2.81Å; Q140-N144 VanDerWaalsContact O-CB 3.31Å; Q140-N144 WeakPolarHBondContact O-CB 3.33Å; Q140-N144 PolarHBondContact O-N 3.32Å; Q140-N144 PolarHBondContact O-ND2 3.25Å; S141-N144 PolarHBondContact O-N 2.76Å; N144-N148 WeakPolarHBondContact O-CA 3.31Å; N144-N148 VanDerWaalsContact O-CB 3.22Å; N144-N148 WeakPolarHBondContact O-CB 3.44Å; N144-N148 PolarHBondContact O-N 3.46Å; N144-N148 PolarHBondContact OD1-ND2 2.88Å; N144-N148 VanDerWaalsContact OD1-ND2 3.16Å; N144-R149 PolarHBondContact O-N 2.94Å; N144-R149 VanDerWaalsContact O-N 3.07Å
145F92.6Very high93Very high34 Ų3452 Ų5215%0.14926%0.26CS..Iπ-helixtrans-64.2-56.2176.9174-114.8000111.9V96 A109 A110 L113 S141 S142 I143 R149 L150V96-F145 HydrophobicContact CG1-CE1 4.43Å; A109-F145 HydrophobicContact CB-CE1 4.14Å; A109-F145 HydrophobicContact CB-CE2 4.25Å; A109-F145 HydrophobicContact CB-CZ 3.74Å; A110-F145 HydrophobicContact CB-CE2 3.9Å; A110-F145 HydrophobicContact CB-CZ 3.95Å; L113-F145 HydrophobicContact CD1-CE1 3.58Å; L113-F145 HydrophobicContact CD1-CZ 3.69Å; S141-F145 WeakPolarHBondContact O-CB 3.16Å; S141-F145 PolarHBondContact O-N 3.48Å; S142-F145 WeakPolarHBondContact O-CB 3.23Å; S142-F145 PolarHBondContact O-N 2.85Å; I143-F145 VanDerWaalsContact C-N 3.26Å; I143-F145 PolarHBondContact O-N 2.87Å; F145-R149 HydrophobicContact CD2-CB 4.41Å; F145-R149 VanDerWaalsContact O-CB 3.31Å; F145-R149 WeakPolarHBondContact O-CB 3.15Å; F145-R149 PolarHBondContact O-N 3.48Å; F145-L150 HydrophobicContact CD1-CD1 4.4Å; F145-L150 HydrophobicContact CD2-CG 4.46Å; F145-L150 HydrophobicContact CE1-CD1 3.77Å; F145-L150 HydrophobicContact CE1-CG 4.49Å; F145-L150 HydrophobicContact CE2-CD1 4.1Å; F145-L150 HydrophobicContact CE2-CD2 4.43Å; F145-L150 HydrophobicContact CE2-CG 4.07Å; F145-L150 HydrophobicContact CZ-CD1 3.59Å; F145-L150 HydrophobicContact CZ-CG 4.09Å; F145-L150 PolarHBondContact O-N 2.87Å
146F94.6Very high92.9Very high8 Ų853.7 Ų53.74%0.03527%0.273CS..Iπ-helixtrans-68.6-48.6-179.5-75.9-71.8000112.1V96 L113 A133 V135 S142 I143 L150 K151 F152 F166V96-F146 HydrophobicContact CG1-CZ 4.45Å; L113-F146 HydrophobicContact CD1-CE1 3.9Å; L113-F146 HydrophobicContact CD1-CZ 4.23Å; A133-F146 HydrophobicContact CB-CD1 3.78Å; A133-F146 HydrophobicContact CB-CD2 4.11Å; A133-F146 HydrophobicContact CB-CE1 3.38Å; A133-F146 HydrophobicContact CB-CE2 3.73Å; A133-F146 HydrophobicContact CB-CG 4.14Å; A133-F146 HydrophobicContact CB-CZ 3.34Å; V135-F146 HydrophobicContact CG2-CD2 3.65Å; V135-F146 HydrophobicContact CG2-CE2 3.89Å; S142-F146 WeakPolarHBondContact O-CD2 3.33Å; S142-F146 PolarHBondContact O-N 2.7Å; I143-F146 PolarHBondContact O-N 2.82Å; F146-L150 HydrophobicContact CD1-CD1 4.09Å; F146-L150 HydrophobicContact CE1-CD1 4.26Å; F146-L150 CarbonylContact O-C 3.59Å; F146-K151 PolarHBondContact O-N 3.06Å; F146-F152 HydrophobicContact CB-CB 4.37Å; F146-F152 AromaticContact CD1-CD2 3.79Å; F146-F152 HydrophobicContact CD1-CD2 3.79Å; F146-F152 HydrophobicContact CD1-CE2 4.05Å; F146-F152 HydrophobicContact CD1-CG 4.25Å; F146-F152 HydrophobicContact CE1-CD2 4.43Å; F146-F152 HydrophobicContact CE1-CE2 4.26Å; F146-F152 WeakPolarHBondContact O-CB 3.39Å; F146-F152 PolarHBondContact O-N 2.52Å; F146-F166 HydrophobicContact CB-CB 4.01Å; F146-F166 HydrophobicContact CB-CD1 4.42Å; F146-F166 HydrophobicContact CB-CD2 3.97Å; F146-F166 HydrophobicContact CB-CG 3.87Å; F146-F166 HydrophobicContact CG-CB 4.43Å
147Q93.4Very high93Very high80 Ų8058.3 Ų58.337%0.37429%0.288SS..Iπ-helixtrans-75.5-49-174.7-168.7176.4-4.600113.1I143 K151 F166I143-Q147 WeakPolarHBondContact O-CB 3.32Å; I143-Q147 PolarHBondContact O-N 2.82Å; Q147-K151 VanDerWaalsContact O-CA 3.25Å; Q147-K151 WeakPolarHBondContact O-CA 3.35Å; Q147-K151 PolarHBondContact O-N 3.39Å; Q147-F166 HydrophobicContact CB-CD1 4.48Å; Q147-F166 HydrophobicContact CB-CE1 3.82Å; Q147-F166 HydrophobicContact CB-CZ 4.27Å; Q147-F166 HydrophobicContact CG-CE1 4.2Å
148N89.5Confident93Very high75 Ų7559 Ų5940%0.40129%0.293SS..Iπ-helixtrans-93.8-39.8-169-58.4-25.8000112.6N144 K151N144-N148 WeakPolarHBondContact O-CA 3.31Å; N144-N148 VanDerWaalsContact O-CB 3.22Å; N144-N148 WeakPolarHBondContact O-CB 3.44Å; N144-N148 PolarHBondContact O-N 3.46Å; N144-N148 PolarHBondContact OD1-ND2 2.88Å; N144-N148 VanDerWaalsContact OD1-ND2 3.16Å; N148-K151 WeakPolarHBondContact O-CD 3.3Å; N148-K151 WeakPolarHBondContact O-CE 3.41Å; N148-K151 PolarHBondContact O-NZ 3.26Å
149R87.7Confident93Very high125 Ų12560.9 Ų60.947%0.47230%0.299SS..Iπ-helixtrans-85.2-51.9-178.4-60.5-64.1-58.2-77.6-3.2111.4N144 F145N144-R149 PolarHBondContact O-N 2.94Å; N144-R149 VanDerWaalsContact O-N 3.07Å; F145-R149 HydrophobicContact CD2-CB 4.41Å; F145-R149 VanDerWaalsContact O-CB 3.31Å; F145-R149 WeakPolarHBondContact O-CB 3.15Å; F145-R149 PolarHBondContact O-N 3.48Å
150L91Very high93.1Very high4 Ų466 Ų662%0.02133%0.331CS..SBendtrans-87-6.1178.8-62-172.8000113A110 L113 F145 F146 F152 I194 R197A110-L150 HydrophobicContact CB-CD2 4.04Å; L113-L150 HydrophobicContact CD1-CD1 3.61Å; F145-L150 HydrophobicContact CD1-CD1 4.4Å; F145-L150 HydrophobicContact CD2-CG 4.46Å; F145-L150 HydrophobicContact CE1-CD1 3.77Å; F145-L150 HydrophobicContact CE1-CG 4.49Å; F145-L150 HydrophobicContact CE2-CD1 4.1Å; F145-L150 HydrophobicContact CE2-CD2 4.43Å; F145-L150 HydrophobicContact CE2-CG 4.07Å; F145-L150 HydrophobicContact CZ-CD1 3.59Å; F145-L150 HydrophobicContact CZ-CG 4.09Å; F145-L150 PolarHBondContact O-N 2.87Å; F146-L150 HydrophobicContact CD1-CD1 4.09Å; F146-L150 HydrophobicContact CE1-CD1 4.26Å; F146-L150 CarbonylContact O-C 3.59Å; L150-F152 HydrophobicContact CB-CD1 3.86Å; L150-F152 HydrophobicContact CB-CE1 4.09Å; L150-F152 HydrophobicContact CD1-CE1 4.41Å; L150-F152 WeakPolarHBondContact O-CD1 3.3Å; L150-F152 PolarHBondContact O-N 3.12Å; L150-I194 HydrophobicContact CD2-CG1 4.29Å; L150-I194 HydrophobicContact CD2-CG2 4.07Å; L150-R197 WeakPolarHBondContact O-CD 3.21Å; L150-R197 PolarHBondContact O-NE 2.98Å; L150-R197 PolarHBondContact O-NH1 3.38Å
151K92.4Very high93Very high110 Ų11067.6 Ų67.648%0.47834%0.337SS..  trans51.734.1178.3-51.8-56.4-169.9-1630113.3F146 Q147 N148F146-K151 PolarHBondContact O-N 3.06Å; Q147-K151 VanDerWaalsContact O-CA 3.25Å; Q147-K151 WeakPolarHBondContact O-CA 3.35Å; Q147-K151 PolarHBondContact O-N 3.39Å; N148-K151 WeakPolarHBondContact O-CD 3.3Å; N148-K151 WeakPolarHBondContact O-CE 3.41Å; N148-K151 PolarHBondContact O-NZ 3.26Å
152F95.4Very high93.3Very high3 Ų366.7 Ų66.71%0.01333%0.325CS..  trans-72.6153163.9-78.229.4000107.8F146 L150 F166 V167 P168 T190 I194F146-F152 HydrophobicContact CB-CB 4.37Å; F146-F152 AromaticContact CD1-CD2 3.79Å; F146-F152 HydrophobicContact CD1-CD2 3.79Å; F146-F152 HydrophobicContact CD1-CE2 4.05Å; F146-F152 HydrophobicContact CD1-CG 4.25Å; F146-F152 HydrophobicContact CE1-CD2 4.43Å; F146-F152 HydrophobicContact CE1-CE2 4.26Å; F146-F152 WeakPolarHBondContact O-CB 3.39Å; F146-F152 PolarHBondContact O-N 2.52Å; L150-F152 HydrophobicContact CB-CD1 3.86Å; L150-F152 HydrophobicContact CB-CE1 4.09Å; L150-F152 HydrophobicContact CD1-CE1 4.41Å; L150-F152 WeakPolarHBondContact O-CD1 3.3Å; L150-F152 PolarHBondContact O-N 3.12Å; F152-F166 HydrophobicContact CB-CB 3.96Å; F152-F166 HydrophobicContact CD2-CB 4.26Å; F152-V167 CarbonylContact C-O 3.55Å; F152-V167 VanDerWaalsContact CA-O 3.3Å; F152-V167 WeakPolarHBondContact CA-O 3.17Å; F152-V167 VanDerWaalsContact CB-O 3.3Å; F152-V167 WeakPolarHBondContact CB-O 3.23Å; F152-P168 HydrophobicContact CD2-CG 4.44Å; F152-P168 HydrophobicContact CE1-CB 4.48Å; F152-P168 HydrophobicContact CE1-CG 4.29Å; F152-P168 HydrophobicContact CE2-CG 3.85Å; F152-P168 HydrophobicContact CZ-CB 4.44Å; F152-P168 HydrophobicContact CZ-CG 3.78Å; F152-T190 HydrophobicContact CE1-CG2 4.34Å; F152-T190 HydrophobicContact CZ-CG2 3.88Å; F152-I194 HydrophobicContact CE1-CG1 4.44Å; F152-I194 HydrophobicContact CZ-CD1 4.34Å
153I95.8Very high93.4Very high43 Ų4367.4 Ų67.422%0.22133%0.325CS..EExtended strand (participates in β ladder)trans-107.6146.4-177.160.3-176.7000109.8R155 F166 V167 E169 Q172I153-R155 PolarHBondContact O-N 2.96Å; I153-F166 CarbonylContact O-C 3.58Å; I153-F166 WeakPolarHBondContact O-CA 3.38Å; I153-V167 HydrophobicContact CD1-CG2 4.25Å; I153-V167 HydrophobicContact CG1-CG2 3.62Å; I153-V167 WeakPolarHBondContact CG1-O 3.37Å; I153-V167 PolarHBondContact N-O 3Å; I153-V167 PolarHBondContact O-N 3.15Å; I153-E169 HydrophobicContact CD1-CB 4.49Å; I153-E169 HydrophobicContact CG2-CB 4.32Å; I153-Q172 HydrophobicContact CD1-CB 4.15Å; I153-Q172 HydrophobicContact CD1-CG 3.55Å
154E96.2Very high93.5Very high77 Ų7767 Ų6736%0.3632%0.323SS..EExtended strand (participates in β ladder)trans-69.3115.1175-178167.8150.300108.8R157 I164 E165 F166E154-R157 WeakPolarHBondContact OE1-CB 3.47Å; E154-R157 IonicContact OE1-CZ 3.51Å; E154-R157 IonicContact OE1-NE 2.89Å; E154-R157 PolarHBondContact OE1-NE 3.26Å; E154-R157 IonicContact OE1-NH2 3.29Å; E154-R157 PolarHBondContact OE1-NH2 3.27Å; E154-R157 IonicContact OE2-CZ 3.76Å; E154-R157 IonicContact OE2-NE 3.89Å; E154-R157 IonicContact OE2-NH2 2.8Å; E154-R157 PolarHBondContact OE2-NH2 3.43Å; E154-I164 HydrophobicContact CB-CG2 4.43Å; E154-I164 HydrophobicContact CG-CG2 3.66Å; E154-E165 CarbonylContact C-O 3.34Å; E154-E165 WeakPolarHBondContact CA-O 3.35Å; E154-F166 HydrophobicContact CB-CE1 4.27Å
155R93.9Very high93.7Very high64 Ų6465.2 Ų65.224%0.24231%0.312CS..EExtended strand (participates in β ladder)trans-82-45172.5176.4174.369.8-168.68110.9E91 S130 I153 E165 V167E91-R155 IonicContact OE1-CZ 3.14Å; E91-R155 IonicContact OE1-NH1 2.63Å; E91-R155 PolarHBondContact OE1-NH1 2.89Å; E91-R155 IonicContact OE1-NH2 3.76Å; E91-R155 PolarHBondContact OE1-NH2 3.5Å; E91-R155 IonicContact OE2-NH2 3.2Å; S130-R155 PolarHBondContact OG-NH1 2.69Å; S130-R155 VanDerWaalsContact OG-NH1 3.14Å; I153-R155 PolarHBondContact O-N 2.96Å; R155-E165 HydrophobicContact CB-CB 4.32Å; R155-E165 IonicContact CZ-OE2 3.31Å; R155-E165 VanDerWaalsContact CZ-OE2 3.31Å; R155-E165 PolarHBondContact N-O 3.48Å; R155-E165 IonicContact NE-OE2 2.81Å; R155-E165 PolarHBondContact NE-OE2 3.34Å; R155-E165 VanDerWaalsContact NH2-CD 3.28Å; R155-E165 IonicContact NH2-OE1 3Å; R155-E165 PolarHBondContact NH2-OE1 3.35Å; R155-E165 IonicContact NH2-OE2 2.77Å; R155-E165 PolarHBondContact NH2-OE2 3.07Å; R155-V167 HydrophobicContact CB-CG1 3.84Å; R155-V167 HydrophobicContact CB-CG2 3.99Å; R155-V167 HydrophobicContact CG-CG1 4.46Å
156S94.8Very high94Very high44 Ų4463.6 Ų63.631%0.30831%0.305SS..EExtended strand (participates in β ladder)trans-155.5162.9-176.381.40000111.3E165S156-E165 PolarHBondContact O-N 3.36Å; S156-E165 VanDerWaalsContact OG-CG 3.32Å; S156-E165 WeakPolarHBondContact OG-CG 3.27Å; S156-E165 PolarHBondContact OG-OE2 2.76Å
157R96.5Very high94Very high110 Ų11063.4 Ų63.442%0.41531%0.305SS..EExtended strand (participates in β ladder)trans-135.4121.3176.9-177.6173.8-68-92.9-2.4109.2M137 E154M137-R157 HydrophobicContact CE-CG 3.33Å; M137-R157 HydrophobicContact SD-CG 4.3Å; E154-R157 WeakPolarHBondContact OE1-CB 3.47Å; E154-R157 IonicContact OE1-CZ 3.51Å; E154-R157 IonicContact OE1-NE 2.89Å; E154-R157 PolarHBondContact OE1-NE 3.26Å; E154-R157 IonicContact OE1-NH2 3.29Å; E154-R157 PolarHBondContact OE1-NH2 3.27Å; E154-R157 IonicContact OE2-CZ 3.76Å; E154-R157 IonicContact OE2-NE 3.89Å; E154-R157 IonicContact OE2-NH2 2.8Å; E154-R157 PolarHBondContact OE2-NH2 3.43Å
158N93.6Very high94.1Very high52 Ų5259.6 Ų59.628%0.27829%0.287SS..EExtended strand (participates in β ladder)trans-111.6103.5-179.5-169.7-30.8000110.7M137 V160 F161 N162 E163M137-N158 VanDerWaalsContact CE-O 3.23Å; M137-N158 WeakPolarHBondContact CE-O 3.47Å; N158-V160 VanDerWaalsContact C-N 3.26Å; N158-V160 PolarHBondContact O-N 2.89Å; N158-V160 WeakPolarHBondContact OD1-CB 3.39Å; N158-V160 PolarHBondContact OD1-N 3.47Å; N158-F161 HydrophobicContact CB-CD2 4.49Å; N158-F161 WeakPolarHBondContact ND2-CD2 3.26Å; N158-F161 PolarHBondContact OD1-N 3.36Å; N158-N162 WeakPolarHBondContact O-CA 3.5Å; N158-N162 PolarHBondContact O-N 3.03Å; N158-E163 HydrophobicContact CB-CG 3.87Å; N158-E163 PolarHBondContact N-O 3.2Å; N158-E163 PolarHBondContact O-N 2.76Å; N158-E163 VanDerWaalsContact O-N 3.12Å
159N94.1Very high94.1Very high127 Ų12760.2 Ų60.268%0.67929%0.287SS*.THydrogen-bonded Turntrans-69.8-21-179.7-64.6-34.5000113.4
160V93.1Very high94Very high126 Ų12655.5 Ų55.576%0.76427%0.271SS*.THydrogen-bonded Turntrans-74-41.8179.3-178.70000110.3N158N158-V160 VanDerWaalsContact C-N 3.26Å; N158-V160 PolarHBondContact O-N 2.89Å; N158-V160 WeakPolarHBondContact OD1-CB 3.39Å; N158-V160 PolarHBondContact OD1-N 3.47Å
161F91Very high93.7Very high143 Ų14356.9 Ų56.963%0.62728%0.277SS*.THydrogen-bonded Turntrans-94.10.1176.9-58-58.3000113.8N158 E163N158-F161 HydrophobicContact CB-CD2 4.49Å; N158-F161 WeakPolarHBondContact ND2-CD2 3.26Å; N158-F161 PolarHBondContact OD1-N 3.36Å; F161-E163 VanDerWaalsContact C-N 3.31Å; F161-E163 HydrophobicContact CB-CG 3.92Å; F161-E163 PolarHBondContact O-N 3.23Å
162N94.1Very high92.7Very high67 Ų6758.1 Ų58.136%0.35829%0.285SS..THydrogen-bonded Turntrans54.544.3-178.2-166.855.2000112.8S136 M137 N158S136-N162 CarbonylContact C-O 3.59Å; S136-N162 WeakPolarHBondContact CA-O 3.39Å; M137-N162 WeakPolarHBondContact CB-OD1 3.42Å; M137-N162 WeakPolarHBondContact CG-O 3.46Å; M137-N162 PolarHBondContact N-O 2.78Å; N158-N162 WeakPolarHBondContact O-CA 3.5Å; N158-N162 PolarHBondContact O-N 3.03Å
163E95.3Very high91Very high47 Ų4760.5 Ų60.522%0.2230%0.298CS..EExtended strand (participates in β ladder)trans-130.3155.1-174.767.5-176.3-176.800113.3V135 M137 N158 F161V135-E163 CarbonylContact O-C 3.57Å; V135-E163 WeakPolarHBondContact O-CA 3.21Å; M137-E163 VanDerWaalsContact CE-O 3.25Å; M137-E163 WeakPolarHBondContact CE-O 3.42Å; N158-E163 HydrophobicContact CB-CG 3.87Å; N158-E163 PolarHBondContact N-O 3.2Å; N158-E163 PolarHBondContact O-N 2.76Å; N158-E163 VanDerWaalsContact O-N 3.12Å; F161-E163 VanDerWaalsContact C-N 3.31Å; F161-E163 HydrophobicContact CB-CG 3.92Å; F161-E163 PolarHBondContact O-N 3.23Å
164I97Very high89.1Confident2 Ų262.1 Ų62.11%0.0131%0.311CS..EExtended strand (participates in β ladder)trans-121.9132.5175.1-49.9166.1000107.9V135 M137 I143 E154 F166V135-I164 PolarHBondContact N-O 3.32Å; V135-I164 PolarHBondContact O-N 3.38Å; M137-I164 HydrophobicContact CG-CD1 4.14Å; M137-I164 HydrophobicContact CG-CG1 3.74Å; I143-I164 HydrophobicContact CD1-CD1 3.69Å; I143-I164 HydrophobicContact CG1-CD1 3.97Å; E154-I164 HydrophobicContact CB-CG2 4.43Å; E154-I164 HydrophobicContact CG-CG2 3.66Å; I164-F166 HydrophobicContact CB-CD2 4.46Å; I164-F166 HydrophobicContact CB-CE2 3.83Å; I164-F166 HydrophobicContact CB-CZ 4.19Å; I164-F166 HydrophobicContact CD1-CE2 4.4Å; I164-F166 HydrophobicContact CD1-CZ 4.32Å; I164-F166 HydrophobicContact CG2-CD2 4.18Å; I164-F166 HydrophobicContact CG2-CE1 4.09Å; I164-F166 HydrophobicContact CG2-CE2 3.62Å; I164-F166 HydrophobicContact CG2-CZ 3.56Å
165E96Very high87.2Confident28 Ų2862.6 Ų62.613%0.13132%0.323CS..EExtended strand (participates in β ladder)trans-95.3121172.7-64.3-168.9142.300110.5V132 K134 E154 R155 S156V132-E165 HydrophobicContact CG2-CB 3.85Å; V132-E165 HydrophobicContact CG2-CG 4.15Å; K134-E165 HydrophobicContact CG-CG 4.32Å; E154-E165 CarbonylContact C-O 3.34Å; E154-E165 WeakPolarHBondContact CA-O 3.35Å; R155-E165 HydrophobicContact CB-CB 4.32Å; R155-E165 IonicContact CZ-OE2 3.31Å; R155-E165 VanDerWaalsContact CZ-OE2 3.31Å; R155-E165 PolarHBondContact N-O 3.48Å; R155-E165 IonicContact NE-OE2 2.81Å; R155-E165 PolarHBondContact NE-OE2 3.34Å; R155-E165 VanDerWaalsContact NH2-CD 3.28Å; R155-E165 IonicContact NH2-OE1 3Å; R155-E165 PolarHBondContact NH2-OE1 3.35Å; R155-E165 IonicContact NH2-OE2 2.77Å; R155-E165 PolarHBondContact NH2-OE2 3.07Å; S156-E165 PolarHBondContact O-N 3.36Å; S156-E165 VanDerWaalsContact OG-CG 3.32Å; S156-E165 WeakPolarHBondContact OG-CG 3.27Å; S156-E165 PolarHBondContact OG-OE2 2.76Å
166F97.5Very high85.2Confident0 Ų067.2 Ų67.20%035%0.347CS..EExtended strand (participates in β ladder)trans-106.8134.5173.9-69.5-74.2000110.9V132 A133 V135 I143 F146 Q147 F152 I153 E154 I164V132-F166 CarbonylContact C-O 3.52Å; V132-F166 WeakPolarHBondContact CA-O 3.36Å; A133-F166 HydrophobicContact CB-CB 4.49Å; A133-F166 PolarHBondContact N-O 2.77Å; A133-F166 PolarHBondContact O-N 3.2Å; V135-F166 HydrophobicContact CB-CD2 4.26Å; V135-F166 HydrophobicContact CB-CE2 4.18Å; V135-F166 HydrophobicContact CG2-CD2 3.89Å; V135-F166 HydrophobicContact CG2-CE2 4.23Å; I143-F166 HydrophobicContact CG1-CE2 4.3Å; I143-F166 HydrophobicContact CG2-CZ 4.18Å; F146-F166 HydrophobicContact CB-CB 4.01Å; F146-F166 HydrophobicContact CB-CD1 4.42Å; F146-F166 HydrophobicContact CB-CD2 3.97Å; F146-F166 HydrophobicContact CB-CG 3.87Å; F146-F166 HydrophobicContact CG-CB 4.43Å; Q147-F166 HydrophobicContact CB-CD1 4.48Å; Q147-F166 HydrophobicContact CB-CE1 3.82Å; Q147-F166 HydrophobicContact CB-CZ 4.27Å; Q147-F166 HydrophobicContact CG-CE1 4.2Å; F152-F166 HydrophobicContact CB-CB 3.96Å; F152-F166 HydrophobicContact CD2-CB 4.26Å; I153-F166 CarbonylContact O-C 3.58Å; I153-F166 WeakPolarHBondContact O-CA 3.38Å; E154-F166 HydrophobicContact CB-CE1 4.27Å; I164-F166 HydrophobicContact CB-CD2 4.46Å; I164-F166 HydrophobicContact CB-CE2 3.83Å; I164-F166 HydrophobicContact CB-CZ 4.19Å; I164-F166 HydrophobicContact CD1-CE2 4.4Å; I164-F166 HydrophobicContact CD1-CZ 4.32Å; I164-F166 HydrophobicContact CG2-CD2 4.18Å; I164-F166 HydrophobicContact CG2-CE1 4.09Å; I164-F166 HydrophobicContact CG2-CE2 3.62Å; I164-F166 HydrophobicContact CG2-CZ 3.56Å
167V96.2Very high83.3Confident4 Ų468 Ų682%0.02435%0.348CS..EExtended strand (participates in β ladder)trans-126.3150.6177.4-620000111.9I131 V132 F152 I153 R155 E169I131-V167 WeakPolarHBondContact O-CG1 3.35Å; V132-V167 HydrophobicContact CB-CG1 4.31Å; V132-V167 HydrophobicContact CG2-CG1 4.28Å; F152-V167 CarbonylContact C-O 3.55Å; F152-V167 VanDerWaalsContact CA-O 3.3Å; F152-V167 WeakPolarHBondContact CA-O 3.17Å; F152-V167 VanDerWaalsContact CB-O 3.3Å; F152-V167 WeakPolarHBondContact CB-O 3.23Å; I153-V167 HydrophobicContact CD1-CG2 4.25Å; I153-V167 HydrophobicContact CG1-CG2 3.62Å; I153-V167 WeakPolarHBondContact CG1-O 3.37Å; I153-V167 PolarHBondContact N-O 3Å; I153-V167 PolarHBondContact O-N 3.15Å; R155-V167 HydrophobicContact CB-CG1 3.84Å; R155-V167 HydrophobicContact CB-CG2 3.99Å; R155-V167 HydrophobicContact CG-CG1 4.46Å; V167-E169 PolarHBondContact O-N 2.92Å
168P94.9Very high81.2Confident0 Ų067 Ų670%035%0.348CS..  trans-52.7136.3167.5-24.130.4000111.8I131 F152 I170 Q171 T190I131-P168 HydrophobicContact CB-CG 4.07Å; I131-P168 HydrophobicContact CG2-CG 4.12Å; I131-P168 WeakPolarHBondContact O-CD 3.35Å; F152-P168 HydrophobicContact CD2-CG 4.44Å; F152-P168 HydrophobicContact CE1-CB 4.48Å; F152-P168 HydrophobicContact CE1-CG 4.29Å; F152-P168 HydrophobicContact CE2-CG 3.85Å; F152-P168 HydrophobicContact CZ-CB 4.44Å; F152-P168 HydrophobicContact CZ-CG 3.78Å; P168-I170 HydrophobicContact CB-CD1 4.48Å; P168-I170 HydrophobicContact CB-CG1 3.79Å; P168-I170 PolarHBondContact O-N 2.63Å; P168-I170 VanDerWaalsContact O-N 3.15Å; P168-Q171 HydrophobicContact CB-CG 4.44Å; P168-Q171 VanDerWaalsContact CD-OE1 3.22Å; P168-Q171 WeakPolarHBondContact O-CB 3.23Å; P168-Q171 PolarHBondContact O-N 3.3Å; P168-T190 HydrophobicContact CB-CG2 3.98Å; P168-T190 HydrophobicContact CG-CG2 3.48Å; P168-T190 VanDerWaalsContact CG-CG2 3.48Å
169E90.4Very high79.2Confident88 Ų8870.5 Ų70.541%0.41137%0.367SS..G310 helixtrans-59-30.7-178.770.8-172.9165.800113.4I153 V167 Q171 Q172 L193 R197I153-E169 HydrophobicContact CD1-CB 4.49Å; I153-E169 HydrophobicContact CG2-CB 4.32Å; V167-E169 PolarHBondContact O-N 2.92Å; E169-Q171 PolarHBondContact O-N 2.83Å; E169-Q171 VanDerWaalsContact O-N 3.11Å; E169-Q172 PolarHBondContact O-N 3.46Å; E169-L193 HydrophobicContact CG-CD2 4.38Å; E169-R197 IonicContact OE1-CZ 3.85Å; E169-R197 IonicContact OE1-NH2 2.69Å; E169-R197 PolarHBondContact OE1-NH2 3.15Å; E169-R197 IonicContact OE2-NH2 3.5Å; E169-R197 PolarHBondContact OE2-NH2 2.98Å
170I84.6Confident77.1Confident26 Ų2668.7 Ų68.713%0.13335%0.354CS..G310 helixtrans-61.4-19.6177.760172.9000113.1P168 Q172 L173 L186 N189 L193P168-I170 HydrophobicContact CB-CD1 4.48Å; P168-I170 HydrophobicContact CB-CG1 3.79Å; P168-I170 PolarHBondContact O-N 2.63Å; P168-I170 VanDerWaalsContact O-N 3.15Å; I170-Q172 VanDerWaalsContact C-N 3.28Å; I170-Q172 PolarHBondContact O-N 3.46Å; I170-L173 HydrophobicContact CB-CD1 4.31Å; I170-L173 PolarHBondContact O-N 2.93Å; I170-L186 HydrophobicContact CD1-CD1 3.67Å; I170-L186 HydrophobicContact CG1-CD1 3.8Å; I170-N189 HydrophobicContact CD1-CB 3.6Å; I170-L193 HydrophobicContact CG2-CD2 4.24Å
171Q84.6Confident75.2Confident33 Ų3367.6 Ų67.615%0.15435%0.352CS..G310 helixtrans-73.1-18.2176.3-71.2176.2-159.300113.6S130 I131 P168 E169 L173 L186S130-Q171 PolarHBondContact OG-NE2 2.78Å; I131-Q171 PolarHBondContact O-NE2 3.07Å; I131-Q171 PolarHBondContact O-OE1 3.07Å; P168-Q171 HydrophobicContact CB-CG 4.44Å; P168-Q171 VanDerWaalsContact CD-OE1 3.22Å; P168-Q171 WeakPolarHBondContact O-CB 3.23Å; P168-Q171 PolarHBondContact O-N 3.3Å; E169-Q171 PolarHBondContact O-N 2.83Å; E169-Q171 VanDerWaalsContact O-N 3.11Å; Q171-L173 VanDerWaalsContact C-N 3.35Å; Q171-L186 HydrophobicContact CG-CD1 3.49Å; Q171-L186 VanDerWaalsContact CG-CD1 3.49Å; Q171-L186 HydrophobicContact CG-CD2 3.9Å; Q171-L186 HydrophobicContact CG-CG 4.3Å
172Q72.2Confident73.2Confident136 Ų13666 Ų6664%0.63635%0.346SS*.G310 helixtrans-86.1-5.2175.6-84.8-172.49.100113.8I153 E169 I170I153-Q172 HydrophobicContact CD1-CB 4.15Å; I153-Q172 HydrophobicContact CD1-CG 3.55Å; E169-Q172 PolarHBondContact O-N 3.46Å; I170-Q172 VanDerWaalsContact C-N 3.28Å; I170-Q172 PolarHBondContact O-N 3.46Å
173L59.3Low71.3Confident53 Ų5366.1 Ų66.128%0.27734%0.343SS..SBendtrans-63.3135.4179.7-67.7171.8000110.2I170 Q171 D177 Q178 Y183I170-L173 HydrophobicContact CB-CD1 4.31Å; I170-L173 PolarHBondContact O-N 2.93Å; Q171-L173 VanDerWaalsContact C-N 3.35Å; L173-D177 HydrophobicContact CB-CB 4.31Å; L173-Q178 PolarHBondContact O-NE2 2.88Å; L173-Y183 HydrophobicContact CD1-CD1 3.78Å; L173-Y183 HydrophobicContact CD1-CE1 3.21Å; L173-Y183 HydrophobicContact CD1-CE2 4.45Å
174P55.8Low70.1Confident77 Ų7769.9 Ų69.950%0.536%0.358SS..  trans-49.8145.9176.1-25.432.7000111.6E176 D177 Q178P174-E176 PolarHBondContact O-N 2.87Å; P174-D177 PolarHBondContact O-N 2.96Å; P174-Q178 PolarHBondContact O-N 3.14Å
175S55.9Low69.7Low87 Ų8771.7 Ų71.761%0.60837%0.368SS*.Hα-helixtrans-54.6-24.8179.548.30000113.9Q178 N179S175-Q178 PolarHBondContact O-N 3Å; S175-N179 PolarHBondContact O-N 3.42Å; S175-N179 PolarHBondContact O-ND2 3.43Å
176E53.3Low69.6Low162 Ų16271.3 Ų71.376%0.75737%0.366SS*.Hα-helixtrans-65.8-38.9173.9-64.9-177178.300112.4P174P174-E176 PolarHBondContact O-N 2.87Å
177D54.3Low69.4Low61 Ų6171.4 Ų71.433%0.32637%0.368SS..Hα-helixtrans-76.1-33.7175.9-69.6-37.4000111.4L173 P174 N179 Q180 Y183L173-D177 HydrophobicContact CB-CB 4.31Å; P174-D177 PolarHBondContact O-N 2.96Å; D177-N179 PolarHBondContact O-N 2.84Å; D177-N179 VanDerWaalsContact O-N 3.11Å; D177-Q180 WeakPolarHBondContact O-CG 3.2Å; D177-Q180 PolarHBondContact O-N 2.97Å; D177-Q180 PolarHBondContact OD1-NE2 2.81Å; D177-Y183 WeakPolarHBondContact O-CD2 3.4Å
178Q52Low69.3Low87 Ų8773.7 Ų73.741%0.40738%0.379SS..Hα-helixtrans-62.3-19.6176.6-63.5-175.2-0.500113.7L173 P174 S175 Q180L173-Q178 PolarHBondContact O-NE2 2.88Å; P174-Q178 PolarHBondContact O-N 3.14Å; S175-Q178 PolarHBondContact O-N 3Å; Q178-Q180 VanDerWaalsContact C-N 3.29Å; Q178-Q180 PolarHBondContact O-N 3.04Å
179N50.9Low69.2Low127 Ų12775.7 Ų75.768%0.67939%0.39SS*.THydrogen-bonded Turntrans-76.2-11.9176.2-75.7-41.7000114S175 D177S175-N179 PolarHBondContact O-N 3.42Å; S175-N179 PolarHBondContact O-ND2 3.43Å; D177-N179 PolarHBondContact O-N 2.84Å; D177-N179 VanDerWaalsContact O-N 3.11Å
180Q51.7Low69.4Low88 Ų8871.5 Ų71.541%0.41137%0.37SS..SBendtrans-69.2144.3174.8-51.6178.116.100109.9D177 Q178 E182 Y183D177-Q180 WeakPolarHBondContact O-CG 3.2Å; D177-Q180 PolarHBondContact O-N 2.97Å; D177-Q180 PolarHBondContact OD1-NE2 2.81Å; Q178-Q180 VanDerWaalsContact C-N 3.29Å; Q178-Q180 PolarHBondContact O-N 3.04Å; Q180-E182 HydrophobicContact CB-CG 4.26Å; Q180-E182 PolarHBondContact O-N 2.9Å; Q180-E182 VanDerWaalsContact O-N 3.1Å; Q180-E182 PolarHBondContact OE1-OE1 3.34Å; Q180-Y183 HydrophobicContact CB-CD2 4Å; Q180-Y183 HydrophobicContact CB-CE2 4.43Å; Q180-Y183 PolarHBondContact O-N 2.72Å
181S52.2Low69.9Low103 Ų10370.4 Ų70.472%0.7237%0.365SS*.G310 helixtrans-59.4-29.3-171.663.20000113.5K184S181-K184 PolarHBondContact O-N 2.86Å
182E49.2Very low70.2Confident109 Ų10973.4 Ų73.451%0.50938%0.379SS..G310 helixtrans-63.4-39.5175.560.1-175-167.500111.4Q180 K184 N189Q180-E182 HydrophobicContact CB-CG 4.26Å; Q180-E182 PolarHBondContact O-N 2.9Å; Q180-E182 VanDerWaalsContact O-N 3.1Å; Q180-E182 PolarHBondContact OE1-OE1 3.34Å; E182-K184 PolarHBondContact O-N 2.67Å; E182-N189 PolarHBondContact O-ND2 3.04Å; E182-N189 PolarHBondContact O-OD1 3.18Å
183Y54.9Low71.2Confident71 Ų7168.4 Ų68.428%0.27836%0.357SS..G310 helixtrans-80.5-5.2-179.5-60.9-74.9000115.6L173 D177 Q180 N185 N189L173-Y183 HydrophobicContact CD1-CD1 3.78Å; L173-Y183 HydrophobicContact CD1-CE1 3.21Å; L173-Y183 HydrophobicContact CD1-CE2 4.45Å; D177-Y183 WeakPolarHBondContact O-CD2 3.4Å; Q180-Y183 HydrophobicContact CB-CD2 4Å; Q180-Y183 HydrophobicContact CB-CE2 4.43Å; Q180-Y183 PolarHBondContact O-N 2.72Å; Y183-N185 PolarHBondContact O-N 3.01Å; Y183-N189 VanDerWaalsContact CA-ND2 3.31Å; Y183-N189 WeakPolarHBondContact CA-ND2 3.34Å
184K70.2Confident72.7Confident126 Ų12665.9 Ų65.955%0.54834%0.343SS..G310 helixtrans-64.8-11.9-174.7-78-173.8178.1-179.70115.4K127 S181 E182K127-K184 PolarHBondContact NZ-O 2.69Å; S181-K184 PolarHBondContact O-N 2.86Å; E182-K184 PolarHBondContact O-N 2.67Å
185N87.8Confident74.3Confident40 Ų4064.6 Ų64.621%0.21433%0.332CS..  trans-133.685.7178.9-164.5-35.4000110.7G121 Y183 A187 L188 N189G121-N185 WeakPolarHBondContact CA-OD1 3.39Å; G121-N185 PolarHBondContact O-ND2 2.88Å; Y183-N185 PolarHBondContact O-N 3.01Å; N185-A187 PolarHBondContact O-N 3.28Å; N185-A187 PolarHBondContact OD1-N 3.41Å; N185-L188 HydrophobicContact CB-CB 4.02Å; N185-L188 HydrophobicContact CB-CD1 4.04Å; N185-L188 HydrophobicContact CB-CG 4.18Å; N185-L188 VanDerWaalsContact CG-CG 3.48Å; N185-L188 VanDerWaalsContact ND2-CD1 3.27Å; N185-L188 WeakPolarHBondContact ND2-CD1 3.41Å; N185-L188 WeakPolarHBondContact ND2-CG 3.23Å; N185-L188 PolarHBondContact O-N 2.86Å; N185-L188 PolarHBondContact OD1-N 2.94Å; N185-L188 VanDerWaalsContact OD1-N 3.12Å; N185-N189 VanDerWaalsContact O-CG 3.26Å; N185-N189 PolarHBondContact O-N 3.15Å; N185-N189 PolarHBondContact O-ND2 3.41Å; N185-N189 VanDerWaalsContact O-ND2 3.15Å
186L93Very high75.8Confident19 Ų1964 Ų6410%0.09932%0.321CS..Hα-helixtrans-52.2-40.7-178.1178.564000112.9L128 N129 I131 I170 Q171 T190L128-L186 WeakPolarHBondContact O-CB 3.27Å; N129-L186 VanDerWaalsContact C-CD2 3.45Å; N129-L186 WeakPolarHBondContact O-CD2 3.16Å; I131-L186 HydrophobicContact CD1-CD2 4.36Å; I131-L186 HydrophobicContact CD1-CG 3.97Å; I131-L186 HydrophobicContact CG1-CD2 4.23Å; I131-L186 HydrophobicContact CG1-CG 4.39Å; I170-L186 HydrophobicContact CD1-CD1 3.67Å; I170-L186 HydrophobicContact CG1-CD1 3.8Å; Q171-L186 HydrophobicContact CG-CD1 3.49Å; Q171-L186 VanDerWaalsContact CG-CD1 3.49Å; Q171-L186 HydrophobicContact CG-CD2 3.9Å; Q171-L186 HydrophobicContact CG-CG 4.3Å; L186-T190 VanDerWaalsContact O-CB 3.28Å; L186-T190 WeakPolarHBondContact O-CB 3.35Å; L186-T190 PolarHBondContact O-N 2.89Å; L186-T190 PolarHBondContact O-OG1 3.36Å
187A94.5Very high77.3Confident3 Ų357.3 Ų57.33%0.02529%0.289CS..Hα-helixtrans-66.1-48.3178.900000112.4L117 I131 N185 N189 T190 S191L117-A187 HydrophobicContact CD2-CB 4.35Å; L117-A187 WeakPolarHBondContact O-CB 3.24Å; I131-A187 HydrophobicContact CD1-CB 4.23Å; N185-A187 PolarHBondContact O-N 3.28Å; N185-A187 PolarHBondContact OD1-N 3.41Å; A187-N189 VanDerWaalsContact C-N 3.35Å; A187-N189 PolarHBondContact O-N 2.84Å; A187-T190 PolarHBondContact O-N 2.94Å; A187-S191 WeakPolarHBondContact O-CB 3.27Å; A187-S191 PolarHBondContact O-N 2.85Å
188L93.5Very high78.6Confident51 Ų5156 Ų5627%0.26728%0.282SS..Hα-helixtrans-60.6-43.5175.9-72.9-178.3000112.3E118 R122 N185 S191 Q192E118-L188 HydrophobicContact CG-CD2 4.29Å; R122-L188 HydrophobicContact CG-CD2 4.06Å; N185-L188 HydrophobicContact CB-CB 4.02Å; N185-L188 HydrophobicContact CB-CD1 4.04Å; N185-L188 HydrophobicContact CB-CG 4.18Å; N185-L188 VanDerWaalsContact CG-CG 3.48Å; N185-L188 VanDerWaalsContact ND2-CD1 3.27Å; N185-L188 WeakPolarHBondContact ND2-CD1 3.41Å; N185-L188 WeakPolarHBondContact ND2-CG 3.23Å; N185-L188 PolarHBondContact O-N 2.86Å; N185-L188 PolarHBondContact OD1-N 2.94Å; N185-L188 VanDerWaalsContact OD1-N 3.12Å; L188-S191 WeakPolarHBondContact O-CB 3.47Å; L188-S191 PolarHBondContact O-N 3.28Å; L188-Q192 PolarHBondContact O-N 3.35Å
189N92.7Very high79.9Confident42 Ų4255.8 Ų55.823%0.22528%0.284CS..Hα-helixtrans-66.9-40.4179.9-63.5-27.8000112.1I170 E182 Y183 N185 A187 S191 Q192 L193I170-N189 HydrophobicContact CD1-CB 3.6Å; E182-N189 PolarHBondContact O-ND2 3.04Å; E182-N189 PolarHBondContact O-OD1 3.18Å; Y183-N189 VanDerWaalsContact CA-ND2 3.31Å; Y183-N189 WeakPolarHBondContact CA-ND2 3.34Å; N185-N189 VanDerWaalsContact O-CG 3.26Å; N185-N189 PolarHBondContact O-N 3.15Å; N185-N189 PolarHBondContact O-ND2 3.41Å; N185-N189 VanDerWaalsContact O-ND2 3.15Å; A187-N189 VanDerWaalsContact C-N 3.35Å; A187-N189 PolarHBondContact O-N 2.84Å; N189-S191 VanDerWaalsContact C-N 3.32Å; N189-Q192 PolarHBondContact O-N 2.82Å; N189-L193 WeakPolarHBondContact O-CB 3.46Å; N189-L193 PolarHBondContact O-N 2.98Å
190T95Very high80.9Confident0 Ų053.8 Ų53.80%028%0.276CS..Hα-helixtrans-64.1-40.8175.4-56.50000110.5L117 I131 F152 P168 L186 A187 L193 I194L117-T190 HydrophobicContact CD1-CG2 3.54Å; I131-T190 HydrophobicContact CD1-CG2 4.39Å; F152-T190 HydrophobicContact CE1-CG2 4.34Å; F152-T190 HydrophobicContact CZ-CG2 3.88Å; P168-T190 HydrophobicContact CB-CG2 3.98Å; P168-T190 HydrophobicContact CG-CG2 3.48Å; P168-T190 VanDerWaalsContact CG-CG2 3.48Å; L186-T190 VanDerWaalsContact O-CB 3.28Å; L186-T190 WeakPolarHBondContact O-CB 3.35Å; L186-T190 PolarHBondContact O-N 2.89Å; L186-T190 PolarHBondContact O-OG1 3.36Å; A187-T190 PolarHBondContact O-N 2.94Å; T190-L193 PolarHBondContact O-N 3.34Å; T190-I194 HydrophobicContact CG2-CD1 4.05Å; T190-I194 VanDerWaalsContact O-CG1 3.26Å; T190-I194 WeakPolarHBondContact O-CG1 3.42Å; T190-I194 PolarHBondContact O-N 3.47Å
191S94.9Very high81.5Confident3 Ų354.2 Ų54.22%0.02128%0.281CS..Hα-helixtrans-58.8-52.1174178.80000111.7A114 A187 L188 N189 L193 I194 I195A114-S191 WeakPolarHBondContact O-CB 3.28Å; A114-S191 PolarHBondContact O-OG 3.34Å; A187-S191 WeakPolarHBondContact O-CB 3.27Å; A187-S191 PolarHBondContact O-N 2.85Å; L188-S191 WeakPolarHBondContact O-CB 3.47Å; L188-S191 PolarHBondContact O-N 3.28Å; N189-S191 VanDerWaalsContact C-N 3.32Å; S191-L193 VanDerWaalsContact C-N 3.32Å; S191-L193 PolarHBondContact O-N 3Å; S191-I194 WeakPolarHBondContact O-CB 3.44Å; S191-I194 PolarHBondContact O-N 3.38Å; S191-I194 VanDerWaalsContact O-N 3.12Å; S191-I195 WeakPolarHBondContact O-CG1 3.21Å; S191-I195 PolarHBondContact O-N 3.11Å
192Q92.1Very high81.6Confident97 Ų9750.5 Ų50.545%0.45326%0.255SS..Hα-helixtrans-59.4-43178.4-173.960.25200111.9L188 N189 I194 I195 D196L188-Q192 PolarHBondContact O-N 3.35Å; N189-Q192 PolarHBondContact O-N 2.82Å; Q192-I194 VanDerWaalsContact C-N 3.31Å; Q192-I194 PolarHBondContact O-N 3.18Å; Q192-I195 WeakPolarHBondContact O-CB 3.24Å; Q192-I195 PolarHBondContact O-N 3.36Å; Q192-I195 VanDerWaalsContact O-N 3.15Å; Q192-D196 PolarHBondContact NE2-OD1 2.91Å; Q192-D196 VanDerWaalsContact O-CG 3.26Å; Q192-D196 PolarHBondContact O-N 2.78Å
193L91.6Very high81.4Confident31 Ų3153.2 Ų53.216%0.16227%0.272CS..Hα-helixtrans-60.5-39.3176.9-178.165.1000112.3E169 I170 N189 T190 S191 R197E169-L193 HydrophobicContact CG-CD2 4.38Å; I170-L193 HydrophobicContact CG2-CD2 4.24Å; N189-L193 WeakPolarHBondContact O-CB 3.46Å; N189-L193 PolarHBondContact O-N 2.98Å; T190-L193 PolarHBondContact O-N 3.34Å; S191-L193 VanDerWaalsContact C-N 3.32Å; S191-L193 PolarHBondContact O-N 3Å; L193-R197 VanDerWaalsContact CG-CZ 3.4Å; L193-R197 VanDerWaalsContact CG-NH1 3.31Å; L193-R197 WeakPolarHBondContact O-CB 3.28Å; L193-R197 WeakPolarHBondContact O-CD 3.29Å; L193-R197 WeakPolarHBondContact O-CG 3.39Å; L193-R197 PolarHBondContact O-N 3.12Å
194I91.7Very high80.9Confident0 Ų053.7 Ų53.70%030%0.299CS..Hα-helixtrans-66.4-43.7174.5-69.1165.1000110.5A110 L113 A114 L117 L150 F152 T190 S191 Q192 R197 L198A110-I194 HydrophobicContact CB-CG2 3.99Å; A110-I194 WeakPolarHBondContact O-CG2 3.44Å; L113-I194 HydrophobicContact CB-CD1 3.91Å; A114-I194 HydrophobicContact CB-CB 4.4Å; A114-I194 HydrophobicContact CB-CG2 4.05Å; L117-I194 HydrophobicContact CD1-CD1 3.76Å; L150-I194 HydrophobicContact CD2-CG1 4.29Å; L150-I194 HydrophobicContact CD2-CG2 4.07Å; F152-I194 HydrophobicContact CE1-CG1 4.44Å; F152-I194 HydrophobicContact CZ-CD1 4.34Å; T190-I194 HydrophobicContact CG2-CD1 4.05Å; T190-I194 VanDerWaalsContact O-CG1 3.26Å; T190-I194 WeakPolarHBondContact O-CG1 3.42Å; T190-I194 PolarHBondContact O-N 3.47Å; S191-I194 WeakPolarHBondContact O-CB 3.44Å; S191-I194 PolarHBondContact O-N 3.38Å; S191-I194 VanDerWaalsContact O-N 3.12Å; Q192-I194 VanDerWaalsContact C-N 3.31Å; Q192-I194 PolarHBondContact O-N 3.18Å; I194-R197 PolarHBondContact O-N 2.93Å; I194-L198 HydrophobicContact CG2-CD1 4.32Å; I194-L198 WeakPolarHBondContact O-CG 3.45Å; I194-L198 PolarHBondContact O-N 2.92Å
195I89.8Confident79.4Confident49 Ų4951.5 Ų51.525%0.25130%0.299SS..Hα-helixtrans-59.6-47.2176.7-67.4166.3000110.5A114 S191 Q192 R197 L198 L199A114-I195 HydrophobicContact CB-CD1 4.33Å; A114-I195 HydrophobicContact CB-CG1 3.84Å; S191-I195 WeakPolarHBondContact O-CG1 3.21Å; S191-I195 PolarHBondContact O-N 3.11Å; Q192-I195 WeakPolarHBondContact O-CB 3.24Å; Q192-I195 PolarHBondContact O-N 3.36Å; Q192-I195 VanDerWaalsContact O-N 3.15Å; I195-R197 VanDerWaalsContact C-N 3.3Å; I195-R197 PolarHBondContact O-N 3.17Å; I195-L198 WeakPolarHBondContact O-CB 3.33Å; I195-L198 PolarHBondContact O-N 3.45Å; I195-L198 VanDerWaalsContact O-N 3.12Å; I195-L199 HydrophobicContact CG2-CD1 3.92Å; I195-L199 HydrophobicContact CG2-CG 4.34Å; I195-L199 WeakPolarHBondContact O-CG 3.36Å; I195-L199 PolarHBondContact O-N 3.11Å
196D86.5Confident76.8Confident74 Ų7456.3 Ų56.340%0.39633%0.33SS..Hα-helixtrans-61.5-39.7178.7-67.1-16.7000111.4Q192 L199 T200Q192-D196 PolarHBondContact NE2-OD1 2.91Å; Q192-D196 VanDerWaalsContact O-CG 3.26Å; Q192-D196 PolarHBondContact O-N 2.78Å; D196-L199 PolarHBondContact O-N 3.39Å; D196-T200 WeakPolarHBondContact O-CB 3.43Å; D196-T200 VanDerWaalsContact O-CG2 3.27Å; D196-T200 WeakPolarHBondContact O-CG2 3.41Å; D196-T200 PolarHBondContact O-N 2.96Å; D196-T200 PolarHBondContact O-OG1 2.7Å
197R85.3Confident74.3Confident23 Ų2357.2 Ų57.29%0.08734%0.338CS..Hα-helixtrans-68.2-33.6175.4-73.1169.2178.4161.2-5.8112.6L150 E169 L193 I194 I195 T200 N201L150-R197 WeakPolarHBondContact O-CD 3.21Å; L150-R197 PolarHBondContact O-NE 2.98Å; L150-R197 PolarHBondContact O-NH1 3.38Å; E169-R197 IonicContact OE1-CZ 3.85Å; E169-R197 IonicContact OE1-NH2 2.69Å; E169-R197 PolarHBondContact OE1-NH2 3.15Å; E169-R197 IonicContact OE2-NH2 3.5Å; E169-R197 PolarHBondContact OE2-NH2 2.98Å; L193-R197 VanDerWaalsContact CG-CZ 3.4Å; L193-R197 VanDerWaalsContact CG-NH1 3.31Å; L193-R197 WeakPolarHBondContact O-CB 3.28Å; L193-R197 WeakPolarHBondContact O-CD 3.29Å; L193-R197 WeakPolarHBondContact O-CG 3.39Å; L193-R197 PolarHBondContact O-N 3.12Å; I194-R197 PolarHBondContact O-N 2.93Å; I195-R197 VanDerWaalsContact C-N 3.3Å; I195-R197 PolarHBondContact O-N 3.17Å; R197-T200 WeakPolarHBondContact CA-OG1 3.38Å; R197-T200 PolarHBondContact O-OG1 3.44Å; R197-N201 WeakPolarHBondContact O-CB 3.5Å; R197-N201 PolarHBondContact O-N 3.21Å; R197-N201 PolarHBondContact O-ND2 2.9Å
198L81.3Confident71.4Confident34 Ų3466.3 Ų66.318%0.17838%0.377CS..Hα-helixtrans-65.4-51.2171.3-79174000110.2A110 E111 I194 I195 T200 N201 S202A110-L198 HydrophobicContact CB-CD1 3.88Å; A110-L198 HydrophobicContact CB-CD2 3.74Å; A110-L198 HydrophobicContact CB-CG 3.97Å; E111-L198 HydrophobicContact CG-CD1 3.96Å; I194-L198 HydrophobicContact CG2-CD1 4.32Å; I194-L198 WeakPolarHBondContact O-CG 3.45Å; I194-L198 PolarHBondContact O-N 2.92Å; I195-L198 WeakPolarHBondContact O-CB 3.33Å; I195-L198 PolarHBondContact O-N 3.45Å; I195-L198 VanDerWaalsContact O-N 3.12Å; L198-T200 PolarHBondContact O-N 2.67Å; L198-N201 PolarHBondContact O-N 3.06Å; L198-S202 VanDerWaalsContact O-CB 3.25Å; L198-S202 WeakPolarHBondContact O-CB 3.27Å; L198-S202 PolarHBondContact O-N 3.37Å
199L78.3Confident69Low82 Ų8271.8 Ų71.843%0.42940%0.395SS..Hα-helixtrans-64.2-40.4-177.1-68175.7000113.1I195 D196 S202I195-L199 HydrophobicContact CG2-CD1 3.92Å; I195-L199 HydrophobicContact CG2-CG 4.34Å; I195-L199 WeakPolarHBondContact O-CG 3.36Å; I195-L199 PolarHBondContact O-N 3.11Å; D196-L199 PolarHBondContact O-N 3.39Å; L199-S202 WeakPolarHBondContact CA-OG 3.49Å; L199-S202 CarbonylContact O-C 3.59Å; L199-S202 WeakPolarHBondContact O-CA 3.47Å; L199-S202 WeakPolarHBondContact O-CB 3.5Å; L199-S202 PolarHBondContact O-N 3.32Å; L199-S202 VanDerWaalsContact O-N 3.11Å; L199-S202 PolarHBondContact O-OG 2.75Å
200T73.1Confident66.4Low85 Ų8578.6 Ų78.652%0.52142%0.419SS..Hα-helixtrans-67.1-40.3177.347.80000112.6D196 R197 L198 S202 L203D196-T200 WeakPolarHBondContact O-CB 3.43Å; D196-T200 VanDerWaalsContact O-CG2 3.27Å; D196-T200 WeakPolarHBondContact O-CG2 3.41Å; D196-T200 PolarHBondContact O-N 2.96Å; D196-T200 PolarHBondContact O-OG1 2.7Å; R197-T200 WeakPolarHBondContact CA-OG1 3.38Å; R197-T200 PolarHBondContact O-OG1 3.44Å; L198-T200 PolarHBondContact O-N 2.67Å; T200-S202 PolarHBondContact O-N 2.67Å; T200-L203 PolarHBondContact O-N 3.02Å
201N63.3Low63.8Low96 Ų9685.3 Ų85.351%0.51345%0.445SS..Hα-helixtrans-70.2-19.2171.9-72.8-49.4000112.4R197 L198 L203R197-N201 WeakPolarHBondContact O-CB 3.5Å; R197-N201 PolarHBondContact O-N 3.21Å; R197-N201 PolarHBondContact O-ND2 2.9Å; L198-N201 PolarHBondContact O-N 3.06Å; N201-L203 VanDerWaalsContact C-N 3.31Å; N201-L203 PolarHBondContact O-N 2.97Å
202S54.4Low61.3Low26 Ų2689.8 Ų89.818%0.18247%0.468CS..THydrogen-bonded Turntrans-84.47.1178.892.20000114.1L198 L199 T200 G204 S205L198-S202 VanDerWaalsContact O-CB 3.25Å; L198-S202 WeakPolarHBondContact O-CB 3.27Å; L198-S202 PolarHBondContact O-N 3.37Å; L199-S202 WeakPolarHBondContact CA-OG 3.49Å; L199-S202 CarbonylContact O-C 3.59Å; L199-S202 WeakPolarHBondContact O-CA 3.47Å; L199-S202 WeakPolarHBondContact O-CB 3.5Å; L199-S202 PolarHBondContact O-N 3.32Å; L199-S202 VanDerWaalsContact O-N 3.11Å; L199-S202 PolarHBondContact O-OG 2.75Å; T200-S202 PolarHBondContact O-N 2.67Å; S202-G204 PolarHBondContact O-N 2.96Å; S202-S205 WeakPolarHBondContact CB-O 3.31Å; S202-S205 CarbonylContact O-C 3.55Å; S202-S205 VanDerWaalsContact O-C 3.3Å; S202-S205 PolarHBondContact O-N 2.99Å; S202-S205 PolarHBondContact OG-O 3.36Å
203L45.8Very low58.8Low165 Ų16591.2 Ų91.286%0.86448%0.475SS*.THydrogen-bonded Turntrans-62.46.9172.4-82.4159000114.3T200 N201T200-L203 PolarHBondContact O-N 3.02Å; N201-L203 VanDerWaalsContact C-N 3.31Å; N201-L203 PolarHBondContact O-N 2.97Å
204G44.8Very low56.7Low81 Ų8195.2 Ų95.284%0.83550%0.496SS*.THydrogen-bonded Turntrans-124.22.7159.400000116.1S202S202-G204 PolarHBondContact O-N 2.96Å
205S38.8Very low54.4Low81 Ų8199.4 Ų99.457%0.56652%0.518SS*.SBendtrans-143.6106.8179.2179.50000110.6S202 S207S202-S205 WeakPolarHBondContact CB-O 3.31Å; S202-S205 CarbonylContact O-C 3.55Å; S202-S205 VanDerWaalsContact O-C 3.3Å; S202-S205 PolarHBondContact O-N 2.99Å; S202-S205 PolarHBondContact OG-O 3.36Å; S205-S207 PolarHBondContact O-N 3.48Å
206T32.3Very low52.1Low140 Ų140100.5 Ų100.586%0.85952%0.524SS*.  trans-66.690.7178.152.80000111.9
207S41Very low49.7Very low39 Ų39102.5 Ų102.527%0.27353%0.53SS..  trans-93.594.3165690000109.1S205 W209S205-S207 PolarHBondContact O-N 3.48Å; S207-W209 PolarHBondContact O-N 2.97Å
208K34.1Very low47.5Very low193 Ų193108 Ų10884%0.83956%0.56SS**  trans-82.491.7167.6-82.6-177.7174.3179.40108.1
209W41.2Very low45.5Very low167 Ų167114.8 Ų114.863%0.63358%0.584SS**  trans-127.6133171.6-64.7105.4000110.8K41 S207K41-W209 HydrophobicContact CD-CH2 4.31Å; S207-W209 PolarHBondContact O-N 2.97Å
210Y38.9Very low43.5Very low185 Ų185119.6 Ų119.673%0.72560%0.596SS**  trans-143.5143.9166.354.3-91.4000106.7L212Y210-L212 HydrophobicContact CD2-CD2 4.21Å; Y210-L212 HydrophobicContact CD2-CG 4.43Å; Y210-L212 HydrophobicContact CE2-CD2 4.14Å; Y210-L212 HydrophobicContact CE2-CG 4.32Å
211Y41.6Very low41.6Very low140 Ų140123.6 Ų123.655%0.54961%0.609SS.*  trans-91143.7169.3-64.1-81000109.2
212L41Very low40.3Very low97 Ų97123.8 Ų123.851%0.50861%0.613SS.*  trans-94.7146.3165.3-64.1173.8000108.9Y210 N214 D215Y210-L212 HydrophobicContact CD2-CD2 4.21Å; Y210-L212 HydrophobicContact CD2-CG 4.43Å; Y210-L212 HydrophobicContact CE2-CD2 4.14Å; Y210-L212 HydrophobicContact CE2-CG 4.32Å; L212-N214 PolarHBondContact O-N 3.18Å; L212-D215 PolarHBondContact N-OD2 2.88Å; L212-D215 VanDerWaalsContact O-CB 3.31Å; L212-D215 WeakPolarHBondContact O-CB 3.08Å; L212-D215 PolarHBondContact O-N 3.49Å
213E40.9Very low39.3Very low128 Ų128127.9 Ų127.960%0.59864%0.639SS**Hα-helixtrans-49.3-30.5174.5-168.894.7-16000112.8D215 L216 K217E213-D215 VanDerWaalsContact C-N 3.34Å; E213-L216 PolarHBondContact O-N 2.99Å; E213-K217 PolarHBondContact O-N 3.11Å
214N45.8Very low39.1Very low115 Ų115131.6 Ų131.662%0.61564%0.642SS**Hα-helixtrans-69.1-29.5177.7-70.7-14.3000113.2L212 L216 K217L212-N214 PolarHBondContact O-N 3.18Å; N214-L216 PolarHBondContact O-N 3.06Å; N214-K217 PolarHBondContact O-N 3.36Å
215D43.6Very low39Very low87 Ų87140.4 Ų140.447%0.46566%0.661SS.*Hα-helixtrans-65.7-29176.9-56.2-35.7000110.7L212 E213L212-D215 PolarHBondContact N-OD2 2.88Å; L212-D215 VanDerWaalsContact O-CB 3.31Å; L212-D215 WeakPolarHBondContact O-CB 3.08Å; L212-D215 PolarHBondContact O-N 3.49Å; E213-D215 VanDerWaalsContact C-N 3.34Å
216L42.4Very low39Very low72 Ų72143.4 Ų143.438%0.37767%0.666SS.*Hα-helixtrans-80.3-22.8176.8-61.4175.6000113.4E213 N214E213-L216 PolarHBondContact O-N 2.99Å; N214-L216 PolarHBondContact O-N 3.06Å
217K36.4Very low39.4Very low116 Ų116143.5 Ų143.550%0.50466%0.656SS.*Hα-helixtrans-79.7-15.7-176.4-75.1-179.3-177.8174.20114E213 N214 W219 R220E213-K217 PolarHBondContact O-N 3.11Å; N214-K217 PolarHBondContact O-N 3.36Å; K217-W219 PolarHBondContact O-N 3.1Å; K217-R220 PolarHBondContact O-N 3.49Å
218L38.3Very low39.3Very low139 Ų139149.3 Ų149.373%0.72868%0.677SS**G310 helixtrans-56.7-36.3179.3-147.781.6000111.7R220L218-R220 PolarHBondContact O-N 3.2Å
219W39.1Very low39.6Very low177 Ų177146.8 Ų146.867%0.6767%0.668SS**G310 helixtrans-76.8-19.5-173.6-72.891.3000115.7K217K217-W219 PolarHBondContact O-N 3.1Å
220R36.4Very low39.5Very low182 Ų182145.5 Ų145.569%0.68767%0.67SS**G310 helixtrans-85.4-10.3-178-74.9-171.7179.2149.84.5113.8N123 K217 L218N123-R220 PolarHBondContact OD1-NH2 3.48Å; K217-R220 PolarHBondContact O-N 3.49Å; L218-R220 PolarHBondContact O-N 3.2Å
221Q33.3Very low39.5Very low170 Ų170142.9 Ų142.979%0.79467%0.666SS**SBendtrans-112.40.6-172.2-67.3-169.6-4.800114.7P223Q221-P223 WeakPolarHBondContact O-CD 3.35Å
222T37.3Very low39.4Very low99 Ų99143.1 Ų143.161%0.60767%0.674SS**SBendtrans-68.4114.3167-37.20000107.8R224T222-R224 PolarHBondContact O-N 3.47Å
223P32.4Very low39.3Very low112 Ų112146.6 Ų146.673%0.72769%0.687SS**  trans-58.3129172.2-17.632000108Q221Q221-P223 WeakPolarHBondContact O-CD 3.35Å
224R40.7Very low39.2Very low244 Ų244148.2 Ų148.292%0.92170%0.695SS**  trans-78.7119.3165.8-63.5-177.2-177.9-175.1-2.1106.2T222T222-R224 PolarHBondContact O-N 3.47Å
225E44.2Very low38.6Very low265 Ų265151.2 Ų151.2100%1.23870%0.702SS**  trans-62.60166.4-66.3-169.9168.800111.1

Retrieved 225 of 225 residues in 68.7 ms (Link to these results)

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