A0A087YMZ7_POEFO Loading...

Hippocalcin-like protein 1

May be involved in the calcium-dependent regulation of rhodopsin phosphorylation. Binds three calcium ions.

AlphaFold DB , UniProt , Accession A0A087YMZ7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 193 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
1M34.9Very low64.1Low247 Ų247130.2 Ų130.2100%1.21767%0.67SS**  0113.50-74.8170.5157.500107.1
2G42.3Very low65.9Low77 Ų77122.8 Ų122.879%0.79464%0.635SS**  trans-68.8136.3-161.500000113.2Q4G2-Q4 PolarHBondContact O-N 3.09Å; G2-Q4 VanDerWaalsContact O-N 3.09Å
3K43.2Very low67.6Low208 Ų208114.6 Ų114.690%0.90459%0.593SS**  trans-59.2110.7167.1-74.4176.9173.8178.40107.6N5K3-N5 PolarHBondContact O-N 3.18Å; K3-N5 VanDerWaalsContact O-N 3.15Å
4Q55.6Low69.1Low133 Ų133112.5 Ų112.562%0.62158%0.583SS**  trans-55.1121.7164.1-82.4177.1-26.700107G2 S6 P39G2-Q4 PolarHBondContact O-N 3.09Å; G2-Q4 VanDerWaalsContact O-N 3.09Å; Q4-S6 PolarHBondContact O-N 3.41Å; Q4-S6 PolarHBondContact O-OG 2.93Å; Q4-P39 PolarHBondContact NE2-O 3.14Å
5N56Low70.5Confident120 Ų120108.1 Ų108.164%0.64256%0.56SS**  trans-70.5102.8-172.4-155.78.3000108.3K3 K7K3-N5 PolarHBondContact O-N 3.18Å; K3-N5 VanDerWaalsContact O-N 3.15Å; N5-K7 PolarHBondContact O-N 3.5Å
6S63.7Low71.8Confident69 Ų69101.3 Ų101.348%0.48353%0.525SS..  trans-71.912.7-174.2-30.50000113.9Q4Q4-S6 PolarHBondContact O-N 3.41Å; Q4-S6 PolarHBondContact O-OG 2.93Å
7K76.4Confident72.9Confident144 Ų144102.8 Ų102.863%0.62652%0.522SS*.SBendtrans-123.4135.3-178.8-69-171.9177.8-174.40109.4N5N5-K7 PolarHBondContact O-N 3.5Å
8L80.7Confident73.8Confident16 Ų16106.1 Ų106.18%0.08454%0.536CS..  trans-60.6139.8171.9-67.1164000110.4V12 L13 L16 L27 Y31 F82L8-V12 HydrophobicContact CD2-CG1 4.03Å; L8-L13 HydrophobicContact CB-CB 4.48Å; L8-L13 HydrophobicContact CB-CD1 4.29Å; L8-L16 HydrophobicContact CD1-CD1 4.05Å; L8-L16 HydrophobicContact CD2-CD1 4.33Å; L8-L27 HydrophobicContact CD1-CB 4.15Å; L8-Y31 HydrophobicContact CD1-CG 4.25Å; L8-Y31 HydrophobicContact CD2-CD1 3.87Å; L8-Y31 HydrophobicContact CD2-CD2 3.54Å; L8-Y31 HydrophobicContact CD2-CE1 4.01Å; L8-Y31 HydrophobicContact CD2-CE2 3.7Å; L8-Y31 HydrophobicContact CD2-CG 3.61Å; L8-Y31 HydrophobicContact CG-CD1 3.68Å; L8-Y31 HydrophobicContact CG-CD2 4.13Å; L8-Y31 HydrophobicContact CG-CE1 4.14Å; L8-Y31 HydrophobicContact CG-CG 3.65Å; L8-F82 HydrophobicContact CD1-CE1 3.94Å; L8-F82 HydrophobicContact CD2-CD1 3.93Å; L8-F82 HydrophobicContact CD2-CE1 3.93Å; L8-F82 HydrophobicContact CG-CE1 4.48Å
9R84.2Confident74.6Confident161 Ų161104.7 Ų104.761%0.60853%0.53SS*.  trans-67.2148171.8-67.2-177.8-68.7-169-1.2109.6E11 V12 L13R9-E11 VanDerWaalsContact C-N 3.26Å; R9-E11 PolarHBondContact O-N 3.3Å; R9-V12 HydrophobicContact CB-CG2 4.23Å; R9-V12 PolarHBondContact O-N 3.14Å; R9-V12 VanDerWaalsContact O-N 3.14Å; R9-L13 PolarHBondContact O-N 2.97Å
10P83.8Confident75.5Confident104 Ų104100 Ų10068%0.67551%0.507SS*.Hα-helixtrans-55-38.7-179.6-26.734.8000114L13 N14P10-L13 PolarHBondContact O-N 3.22Å; P10-N14 PolarHBondContact O-N 2.98Å
11E84.3Confident76.1Confident153 Ų153101.3 Ų101.372%0.71551%0.511SS*.Hα-helixtrans-62.6-46178.2-66.3160.8-17500112.1R9 L13 N14 D15R9-E11 VanDerWaalsContact C-N 3.26Å; R9-E11 PolarHBondContact O-N 3.3Å; E11-L13 VanDerWaalsContact C-N 3.31Å; E11-L13 PolarHBondContact O-N 3.14Å; E11-N14 PolarHBondContact O-N 2.95Å; E11-D15 PolarHBondContact O-N 2.9Å
12V85.6Confident78.8Confident41 Ų4190.1 Ų90.125%0.24846%0.455CS..Hα-helixtrans-65.4-40.1176.8179.40000109.9L8 R9 N14 D15 L16L8-V12 HydrophobicContact CD2-CG1 4.03Å; R9-V12 HydrophobicContact CB-CG2 4.23Å; R9-V12 PolarHBondContact O-N 3.14Å; R9-V12 VanDerWaalsContact O-N 3.14Å; V12-N14 VanDerWaalsContact C-N 3.33Å; V12-N14 PolarHBondContact O-N 3.34Å; V12-D15 PolarHBondContact O-N 3.33Å; V12-L16 HydrophobicContact CG1-CD1 4.02Å; V12-L16 HydrophobicContact CG1-CG 4.2Å; V12-L16 VanDerWaalsContact O-CG 3.26Å; V12-L16 WeakPolarHBondContact O-CG 3.48Å; V12-L16 PolarHBondContact O-N 3.15Å
13L87.6Confident81.1Confident17 Ų1790.2 Ų90.29%0.08944%0.441CS..Hα-helixtrans-65.5-37.7-179.1-160.9147.6000112.1L8 R9 P10 E11 L16 R17 D24 Q28L8-L13 HydrophobicContact CB-CB 4.48Å; L8-L13 HydrophobicContact CB-CD1 4.29Å; R9-L13 PolarHBondContact O-N 2.97Å; P10-L13 PolarHBondContact O-N 3.22Å; E11-L13 VanDerWaalsContact C-N 3.31Å; E11-L13 PolarHBondContact O-N 3.14Å; L13-L16 PolarHBondContact O-N 2.99Å; L13-R17 WeakPolarHBondContact O-CB 3.38Å; L13-R17 PolarHBondContact O-N 3.23Å; L13-D24 HydrophobicContact CD2-CB 4.1Å; L13-D24 VanDerWaalsContact CD2-CG 3.42Å; L13-D24 WeakPolarHBondContact CD2-OD2 3.27Å; L13-Q28 HydrophobicContact CD1-CG 4.29Å; L13-Q28 VanDerWaalsContact CD1-NE2 3.27Å
14N89.1Confident83.3Confident85 Ų8582.9 Ų82.946%0.45541%0.412SS..Hα-helixtrans-63.8-47.8173.2-76.3-13.3000111.9P10 E11 V12 L16 R17 E18P10-N14 PolarHBondContact O-N 2.98Å; E11-N14 PolarHBondContact O-N 2.95Å; V12-N14 VanDerWaalsContact C-N 3.33Å; V12-N14 PolarHBondContact O-N 3.34Å; N14-L16 VanDerWaalsContact C-N 3.34Å; N14-L16 PolarHBondContact O-N 3.38Å; N14-R17 PolarHBondContact O-N 3.22Å; N14-E18 WeakPolarHBondContact O-CG 3.44Å; N14-E18 PolarHBondContact O-N 2.79Å
15D90.6Very high84.9Confident46 Ų4682.9 Ų82.925%0.24641%0.411CS..Hα-helixtrans-57.7-45.8175.7163.677.6000111.6E11 V12 R17 E18 N19 R83E11-D15 PolarHBondContact O-N 2.9Å; V12-D15 PolarHBondContact O-N 3.33Å; D15-R17 VanDerWaalsContact C-N 3.32Å; D15-R17 PolarHBondContact O-N 3.02Å; D15-E18 PolarHBondContact O-N 2.72Å; D15-N19 PolarHBondContact O-N 2.88Å; D15-N19 VanDerWaalsContact O-N 3.12Å; D15-N19 PolarHBondContact O-ND2 3.2Å; D15-N19 PolarHBondContact OD1-ND2 3.33Å; D15-N19 VanDerWaalsContact OD1-ND2 3.14Å; D15-R83 IonicContact OD1-CZ 2.64Å; D15-R83 IonicContact OD1-NE 3.77Å; D15-R83 IonicContact OD1-NH2 2.85Å; D15-R83 PolarHBondContact OD1-NH2 3.49Å; D15-R83 IonicContact OD2-CZ 2.9Å; D15-R83 IonicContact OD2-NE 3.5Å; D15-R83 PolarHBondContact OD2-NE 2.98Å; D15-R83 IonicContact OD2-NH2 2.64Å
16L91.6Very high86.6Confident0 Ų079.7 Ų79.70%039%0.393CS..Hα-helixtrans-65.1-35.3178.3-66.8-178.2000112.6L8 V12 L13 N14 E18 N19 T20 L27 F82 R83 I86L8-L16 HydrophobicContact CD1-CD1 4.05Å; L8-L16 HydrophobicContact CD2-CD1 4.33Å; V12-L16 HydrophobicContact CG1-CD1 4.02Å; V12-L16 HydrophobicContact CG1-CG 4.2Å; V12-L16 VanDerWaalsContact O-CG 3.26Å; V12-L16 WeakPolarHBondContact O-CG 3.48Å; V12-L16 PolarHBondContact O-N 3.15Å; L13-L16 PolarHBondContact O-N 2.99Å; N14-L16 VanDerWaalsContact C-N 3.34Å; N14-L16 PolarHBondContact O-N 3.38Å; L16-E18 VanDerWaalsContact C-N 3.34Å; L16-N19 PolarHBondContact O-N 3.39Å; L16-T20 VanDerWaalsContact O-CB 3.29Å; L16-T20 WeakPolarHBondContact O-CB 3.31Å; L16-T20 WeakPolarHBondContact O-CG2 3.26Å; L16-T20 PolarHBondContact O-N 2.97Å; L16-T20 PolarHBondContact O-OG1 2.91Å; L16-L27 HydrophobicContact CB-CD1 3.84Å; L16-L27 HydrophobicContact CB-CD2 4.17Å; L16-L27 HydrophobicContact CD1-CD2 4.39Å; L16-F82 HydrophobicContact CD1-CD1 4.04Å; L16-F82 HydrophobicContact CD1-CE1 3.65Å; L16-R83 HydrophobicContact CD2-CB 4.03Å; L16-R83 HydrophobicContact CD2-CG 3.74Å; L16-I86 HydrophobicContact CD1-CG2 4.27Å; L16-I86 HydrophobicContact CD2-CG2 3.62Å; L16-I86 HydrophobicContact CG-CG2 4.46Å
17R89.7Confident88Confident126 Ų12676.4 Ų76.448%0.47537%0.37SS..Hα-helixtrans-67.7-36175.9-174.4-169.1-83.1171.4-19.3111.8L13 N14 D15 N19 D24L13-R17 WeakPolarHBondContact O-CB 3.38Å; L13-R17 PolarHBondContact O-N 3.23Å; N14-R17 PolarHBondContact O-N 3.22Å; D15-R17 VanDerWaalsContact C-N 3.32Å; D15-R17 PolarHBondContact O-N 3.02Å; R17-N19 VanDerWaalsContact C-N 3.3Å; R17-D24 IonicContact CZ-OD1 3.71Å; R17-D24 IonicContact CZ-OD2 2.93Å; R17-D24 IonicContact NE-OD1 3.57Å; R17-D24 PolarHBondContact NE-OD1 2.9Å; R17-D24 IonicContact NH2-OD1 3.08Å; R17-D24 PolarHBondContact NH2-OD1 2.64Å; R17-D24 IonicContact NH2-OD2 3.58Å; R17-D24 PolarHBondContact NH2-OD2 2.69Å
18E90.2Very high88.6Confident163 Ų16371.1 Ų71.176%0.76235%0.347SS*.Hα-helixtrans-72.7-25.7178-72.1178.3179.700112.6N14 D15 L16N14-E18 WeakPolarHBondContact O-CG 3.44Å; N14-E18 PolarHBondContact O-N 2.79Å; D15-E18 PolarHBondContact O-N 2.72Å; L16-E18 VanDerWaalsContact C-N 3.34Å
19N89.1Confident89.1Confident79 Ų7974.2 Ų74.242%0.42236%0.361SS..Hα-helixtrans-109.21.1-174.3-66.7-78000114.3D15 L16 R17 I87D15-N19 PolarHBondContact O-N 2.88Å; D15-N19 VanDerWaalsContact O-N 3.12Å; D15-N19 PolarHBondContact O-ND2 3.2Å; D15-N19 PolarHBondContact OD1-ND2 3.33Å; D15-N19 VanDerWaalsContact OD1-ND2 3.14Å; L16-N19 PolarHBondContact O-N 3.39Å; R17-N19 VanDerWaalsContact C-N 3.3Å; N19-I87 HydrophobicContact CB-CD1 4.14Å; N19-I87 HydrophobicContact CB-CG1 4.28Å
20T91.4Very high89.4Confident11 Ų1171.6 Ų71.67%0.06735%0.351CS..SBendtrans-138.9160.2179.673.80000112.5L16 F22 I86 I87 S90L16-T20 VanDerWaalsContact O-CB 3.29Å; L16-T20 WeakPolarHBondContact O-CB 3.31Å; L16-T20 WeakPolarHBondContact O-CG2 3.26Å; L16-T20 PolarHBondContact O-N 2.97Å; L16-T20 PolarHBondContact O-OG1 2.91Å; T20-F22 PolarHBondContact O-N 3.43Å; T20-F22 PolarHBondContact OG1-N 3.5Å; T20-I86 HydrophobicContact CG2-CG2 4.25Å; T20-I87 HydrophobicContact CG2-CG1 3.91Å; T20-S90 WeakPolarHBondContact CA-OG 3.24Å
21E88.8Confident89.7Confident128 Ų12868.9 Ų68.960%0.59833%0.328SS*.SBendtrans-91.723.2175.7-62.8-64.1153.100111.8S90 R94E21-S90 PolarHBondContact N-OG 2.98Å; E21-R94 HydrophobicContact CB-CB 3.89Å; E21-R94 HydrophobicContact CB-CG 4.43Å; E21-R94 HydrophobicContact CG-CB 4.29Å; E21-R94 PolarHBondContact O-NH1 3.12Å
22F90.1Very high89.9Confident11 Ų1167.1 Ų67.15%0.04832%0.315CS..  trans-100.7143.6-179.2-69.8-72.5000112.4T20 E26 L27 W30 I86 L89 R94T20-F22 PolarHBondContact O-N 3.43Å; T20-F22 PolarHBondContact OG1-N 3.5Å; F22-E26 HydrophobicContact CB-CB 4.25Å; F22-E26 HydrophobicContact CD1-CB 4Å; F22-L27 HydrophobicContact CB-CD2 3.7Å; F22-L27 HydrophobicContact CB-CG 3.85Å; F22-L27 HydrophobicContact CD2-CD2 4.43Å; F22-L27 HydrophobicContact CG-CD2 4.39Å; F22-W30 AromaticContact CE1-NE1 3.77Å; F22-I86 HydrophobicContact CD2-CD1 3.83Å; F22-I86 HydrophobicContact CD2-CG1 3.89Å; F22-I86 HydrophobicContact CE2-CD1 3.66Å; F22-I86 HydrophobicContact CE2-CG1 4.07Å; F22-I86 HydrophobicContact CZ-CD1 4.27Å; F22-L89 HydrophobicContact CE2-CG 4.44Å; F22-L89 HydrophobicContact CZ-CD2 4.08Å; F22-L89 HydrophobicContact CZ-CG 4.12Å; F22-R94 VanDerWaalsContact CE1-NH2 3.3Å
23T90.7Very high90Very high79 Ų7966.5 Ų66.549%0.48532%0.317SS..  trans-76.2159.4171.4640000111.4H25 E26 L27T23-H25 PolarHBondContact O-N 3.31Å; T23-H25 VanDerWaalsContact O-N 3.16Å; T23-E26 PolarHBondContact N-OE2 3.05Å; T23-E26 WeakPolarHBondContact O-CB 3.21Å; T23-E26 PolarHBondContact O-N 3.44Å; T23-E26 VanDerWaalsContact OG1-CG 3.25Å; T23-E26 WeakPolarHBondContact OG1-CG 3.21Å; T23-E26 PolarHBondContact OG1-N 2.84Å; T23-E26 PolarHBondContact OG1-OE2 2.85Å; T23-L27 WeakPolarHBondContact O-CG 3.25Å; T23-L27 PolarHBondContact O-N 3.41Å
24D90.3Very high90.1Very high55 Ų5566.3 Ų66.329%0.29432%0.315SS..Hα-helixtrans-54.1-38.8177.8-63.421.2000113.1L13 R17 Q28L13-D24 HydrophobicContact CD2-CB 4.1Å; L13-D24 VanDerWaalsContact CD2-CG 3.42Å; L13-D24 WeakPolarHBondContact CD2-OD2 3.27Å; R17-D24 IonicContact CZ-OD1 3.71Å; R17-D24 IonicContact CZ-OD2 2.93Å; R17-D24 IonicContact NE-OD1 3.57Å; R17-D24 PolarHBondContact NE-OD1 2.9Å; R17-D24 IonicContact NH2-OD1 3.08Å; R17-D24 PolarHBondContact NH2-OD1 2.64Å; R17-D24 IonicContact NH2-OD2 3.58Å; R17-D24 PolarHBondContact NH2-OD2 2.69Å; D24-Q28 WeakPolarHBondContact O-CB 3.49Å; D24-Q28 WeakPolarHBondContact O-CG 3.48Å; D24-Q28 PolarHBondContact O-N 3.33Å
25H89.7Confident90Very high132 Ų13263.6 Ų63.661%0.61130%0.301SS*.Hα-helixtrans-64.1-48.6178.2-178.2-85.3000110.4T23 L27 Q28 E29T23-H25 PolarHBondContact O-N 3.31Å; T23-H25 VanDerWaalsContact O-N 3.16Å; H25-L27 PolarHBondContact O-N 2.77Å; H25-Q28 PolarHBondContact O-N 3Å; H25-E29 WeakPolarHBondContact O-CG 3.32Å; H25-E29 PolarHBondContact O-N 2.77Å
26E91.4Very high89.9Confident54 Ų5469.4 Ų69.425%0.25232%0.324SS..Hα-helixtrans-61.4-44176.8-68.1169.9131.500111.8F22 T23 Q28 E29 W30 R94F22-E26 HydrophobicContact CB-CB 4.25Å; F22-E26 HydrophobicContact CD1-CB 4Å; T23-E26 PolarHBondContact N-OE2 3.05Å; T23-E26 WeakPolarHBondContact O-CB 3.21Å; T23-E26 PolarHBondContact O-N 3.44Å; T23-E26 VanDerWaalsContact OG1-CG 3.25Å; T23-E26 WeakPolarHBondContact OG1-CG 3.21Å; T23-E26 PolarHBondContact OG1-N 2.84Å; T23-E26 PolarHBondContact OG1-OE2 2.85Å; E26-Q28 VanDerWaalsContact C-N 3.3Å; E26-Q28 PolarHBondContact O-N 2.94Å; E26-E29 PolarHBondContact O-N 3.11Å; E26-W30 WeakPolarHBondContact O-CB 3.41Å; E26-W30 VanDerWaalsContact O-CD1 3.26Å; E26-W30 PolarHBondContact O-N 2.97Å; E26-R94 IonicContact OE1-CZ 3.15Å; E26-R94 IonicContact OE1-NH1 3.31Å; E26-R94 PolarHBondContact OE1-NH1 3.44Å; E26-R94 IonicContact OE1-NH2 2.71Å; E26-R94 PolarHBondContact OE1-NH2 2.81Å; E26-R94 IonicContact OE2-CZ 3.43Å; E26-R94 IonicContact OE2-NH1 3.47Å; E26-R94 PolarHBondContact OE2-NH1 2.68Å; E26-R94 IonicContact OE2-NH2 3.97Å
27L92.2Very high89.4Confident0 Ų075.4 Ų75.40%036%0.356CS..Hα-helixtrans-58.9-41.1177.3-70.1174.7000111.8L8 L16 F22 T23 H25 Y31 I86L8-L27 HydrophobicContact CD1-CB 4.15Å; L16-L27 HydrophobicContact CB-CD1 3.84Å; L16-L27 HydrophobicContact CB-CD2 4.17Å; L16-L27 HydrophobicContact CD1-CD2 4.39Å; F22-L27 HydrophobicContact CB-CD2 3.7Å; F22-L27 HydrophobicContact CB-CG 3.85Å; F22-L27 HydrophobicContact CD2-CD2 4.43Å; F22-L27 HydrophobicContact CG-CD2 4.39Å; T23-L27 WeakPolarHBondContact O-CG 3.25Å; T23-L27 PolarHBondContact O-N 3.41Å; H25-L27 PolarHBondContact O-N 2.77Å; L27-Y31 VanDerWaalsContact O-CB 3.25Å; L27-Y31 WeakPolarHBondContact O-CB 3.35Å; L27-Y31 PolarHBondContact O-N 3.47Å; L27-I86 HydrophobicContact CD2-CD1 4.49Å; L27-I86 HydrophobicContact CD2-CG1 3.69Å
28Q89.8Confident89.2Confident32 Ų3269.8 Ų69.815%0.1534%0.336CS..Hα-helixtrans-70.4-37.3177.7-69.6-75.2-700112.8L13 D24 H25 E26 R32L13-Q28 HydrophobicContact CD1-CG 4.29Å; L13-Q28 VanDerWaalsContact CD1-NE2 3.27Å; D24-Q28 WeakPolarHBondContact O-CB 3.49Å; D24-Q28 WeakPolarHBondContact O-CG 3.48Å; D24-Q28 PolarHBondContact O-N 3.33Å; H25-Q28 PolarHBondContact O-N 3Å; E26-Q28 VanDerWaalsContact C-N 3.3Å; E26-Q28 PolarHBondContact O-N 2.94Å; Q28-R32 PolarHBondContact O-N 2.83Å
29E90.7Very high89Confident82 Ų8265.9 Ų65.938%0.38332%0.324SS..Hα-helixtrans-68.1-45.8175.6-68.9-56.9123.300111.1H25 E26 Y31 R32 G33H25-E29 WeakPolarHBondContact O-CG 3.32Å; H25-E29 PolarHBondContact O-N 2.77Å; E26-E29 PolarHBondContact O-N 3.11Å; E29-Y31 VanDerWaalsContact C-N 3.33Å; E29-Y31 PolarHBondContact O-N 2.97Å; E29-R32 PolarHBondContact O-N 2.92Å; E29-R32 IonicContact OE1-CZ 2.69Å; E29-R32 IonicContact OE1-NH1 3.51Å; E29-R32 PolarHBondContact OE1-NH1 3.07Å; E29-R32 IonicContact OE1-NH2 3.56Å; E29-R32 PolarHBondContact OE1-NH2 2.8Å; E29-R32 IonicContact OE2-NH1 2.72Å; E29-R32 PolarHBondContact OE2-NH1 3.06Å; E29-G33 PolarHBondContact O-N 2.86Å
30W91.1Very high89Confident106 Ų10666.6 Ų66.640%0.40233%0.332SS..Hα-helixtrans-59.1-43.3173.7-84.8113000111.9F22 E26 R32 G33 F34 F82 F85 I86 L89F22-W30 AromaticContact CE1-NE1 3.77Å; E26-W30 WeakPolarHBondContact O-CB 3.41Å; E26-W30 VanDerWaalsContact O-CD1 3.26Å; E26-W30 PolarHBondContact O-N 2.97Å; W30-R32 PolarHBondContact O-N 2.61Å; W30-G33 PolarHBondContact O-N 2.86Å; W30-F34 VanDerWaalsContact O-CB 3.29Å; W30-F34 WeakPolarHBondContact O-CB 3.23Å; W30-F34 PolarHBondContact O-N 3.46Å; W30-F82 HydrophobicContact CB-CE2 4.02Å; W30-F82 HydrophobicContact CB-CZ 4.04Å; W30-F85 AromaticContact CE3-CE1 3.77Å; W30-F85 HydrophobicContact CE3-CE1 3.77Å; W30-F85 HydrophobicContact CE3-CZ 4.15Å; W30-F85 HydrophobicContact CZ3-CE1 4.03Å; W30-F85 AromaticContact CZ3-CZ 3.91Å; W30-F85 HydrophobicContact CZ3-CZ 3.91Å; W30-I86 HydrophobicContact CB-CD1 3.87Å; W30-I86 HydrophobicContact CD2-CD1 4.28Å; W30-I86 HydrophobicContact CG-CD1 3.74Å; W30-L89 HydrophobicContact CD2-CD2 4.05Å; W30-L89 HydrophobicContact CE3-CD2 4.18Å; W30-L89 HydrophobicContact CH2-CD2 3.65Å; W30-L89 HydrophobicContact CZ2-CD2 3.49Å; W30-L89 VanDerWaalsContact CZ2-CD2 3.49Å; W30-L89 HydrophobicContact CZ3-CD2 3.99Å
31Y90.3Very high88.8Confident46 Ų4666.9 Ų66.918%0.1834%0.337CS..Hα-helixtrans-62.9-41.4177.8-174.3-119.7000112.4L8 L27 E29 F34 L35 F82L8-Y31 HydrophobicContact CD1-CG 4.25Å; L8-Y31 HydrophobicContact CD2-CD1 3.87Å; L8-Y31 HydrophobicContact CD2-CD2 3.54Å; L8-Y31 HydrophobicContact CD2-CE1 4.01Å; L8-Y31 HydrophobicContact CD2-CE2 3.7Å; L8-Y31 HydrophobicContact CD2-CG 3.61Å; L8-Y31 HydrophobicContact CG-CD1 3.68Å; L8-Y31 HydrophobicContact CG-CD2 4.13Å; L8-Y31 HydrophobicContact CG-CE1 4.14Å; L8-Y31 HydrophobicContact CG-CG 3.65Å; L27-Y31 VanDerWaalsContact O-CB 3.25Å; L27-Y31 WeakPolarHBondContact O-CB 3.35Å; L27-Y31 PolarHBondContact O-N 3.47Å; E29-Y31 VanDerWaalsContact C-N 3.33Å; E29-Y31 PolarHBondContact O-N 2.97Å; Y31-F34 PolarHBondContact O-N 3.38Å; Y31-L35 HydrophobicContact CD1-CD1 4.12Å; Y31-L35 HydrophobicContact CD2-CG 4.46Å; Y31-L35 HydrophobicContact CE1-CD1 3.57Å; Y31-L35 HydrophobicContact CE1-CG 4.41Å; Y31-L35 HydrophobicContact CE2-CD1 4.09Å; Y31-L35 HydrophobicContact CE2-CD2 4.44Å; Y31-L35 HydrophobicContact CE2-CG 4.14Å; Y31-L35 WeakPolarHBondContact O-CG 3.3Å; Y31-L35 PolarHBondContact O-N 2.65Å; Y31-F82 HydrophobicContact CD2-CB 4.09Å; Y31-F82 AromaticContact CD2-CD1 3.45Å; Y31-F82 HydrophobicContact CD2-CD1 3.45Å; Y31-F82 VanDerWaalsContact CD2-CD1 3.45Å; Y31-F82 AromaticContact CD2-CD2 3.88Å; Y31-F82 HydrophobicContact CD2-CD2 3.88Å; Y31-F82 AromaticContact CD2-CE1 3.77Å; Y31-F82 HydrophobicContact CD2-CE1 3.77Å; Y31-F82 HydrophobicContact CD2-CE2 4.18Å; Y31-F82 AromaticContact CD2-CG 3.5Å; Y31-F82 HydrophobicContact CD2-CG 3.5Å; Y31-F82 HydrophobicContact CD2-CZ 4.13Å; Y31-F82 HydrophobicContact CE2-CB 4.2Å; Y31-F82 HydrophobicContact CE2-CD1 4.11Å; Y31-F82 HydrophobicContact CE2-CG 4.1Å; Y31-F82 HydrophobicContact CG-CD1 4.32Å; Y31-F82 HydrophobicContact CG-CE1 4.2Å; Y31-F82 HydrophobicContact CG-CZ 4.36Å
32R88.5Confident88.9Confident117 Ų11764.8 Ų64.844%0.44233%0.327SS..Hα-helixtrans-65.1-42.3174.9-81.3-167.2-119.3125.411.6112.3Q28 E29 W30 K36Q28-R32 PolarHBondContact O-N 2.83Å; E29-R32 PolarHBondContact O-N 2.92Å; E29-R32 IonicContact OE1-CZ 2.69Å; E29-R32 IonicContact OE1-NH1 3.51Å; E29-R32 PolarHBondContact OE1-NH1 3.07Å; E29-R32 IonicContact OE1-NH2 3.56Å; E29-R32 PolarHBondContact OE1-NH2 2.8Å; E29-R32 IonicContact OE2-NH1 2.72Å; E29-R32 PolarHBondContact OE2-NH1 3.06Å; W30-R32 PolarHBondContact O-N 2.61Å; R32-K36 WeakPolarHBondContact O-CB 3.32Å; R32-K36 PolarHBondContact O-N 2.89Å; R32-K36 VanDerWaalsContact O-N 3.08Å
33G88Confident89Confident28 Ų2864.5 Ų64.529%0.28933%0.326SS..Hα-helixtrans-60.4-49.5174.900000111.4E29 W30 L35 K36 D37E29-G33 PolarHBondContact O-N 2.86Å; W30-G33 PolarHBondContact O-N 2.86Å; G33-L35 PolarHBondContact O-N 3.47Å; G33-K36 WeakPolarHBondContact O-CB 3.48Å; G33-K36 PolarHBondContact O-N 2.86Å; G33-D37 PolarHBondContact O-N 2.83Å
34F88Confident89.1Confident12 Ų1263.3 Ų63.35%0.05332%0.318CS..Hα-helixtrans-57.8-46.5179-172.2-92.1000112.4W30 Y31 K36 D37 C38 G41 L43 F82 F85W30-F34 VanDerWaalsContact O-CB 3.29Å; W30-F34 WeakPolarHBondContact O-CB 3.23Å; W30-F34 PolarHBondContact O-N 3.46Å; Y31-F34 PolarHBondContact O-N 3.38Å; F34-K36 VanDerWaalsContact C-N 3.3Å; F34-K36 PolarHBondContact O-N 2.88Å; F34-D37 PolarHBondContact O-N 3.19Å; F34-C38 HydrophobicContact CE1-CB 4.27Å; F34-C38 HydrophobicContact CZ-CB 4.46Å; F34-C38 WeakPolarHBondContact O-CA 3.47Å; F34-C38 WeakPolarHBondContact O-CB 3.32Å; F34-C38 PolarHBondContact O-N 2.96Å; F34-G41 WeakPolarHBondContact CE1-O 3.16Å; F34-L43 HydrophobicContact CE2-CB 4.37Å; F34-L43 HydrophobicContact CZ-CB 4.23Å; F34-F82 HydrophobicContact CB-CD2 3.71Å; F34-F82 HydrophobicContact CB-CE2 4.06Å; F34-F82 HydrophobicContact CD1-CB 4.04Å; F34-F82 AromaticContact CD1-CD2 3.98Å; F34-F82 HydrophobicContact CD1-CD2 3.98Å; F34-F82 HydrophobicContact CD1-CG 4.47Å; F34-F82 HydrophobicContact CD2-CD2 4.21Å; F34-F82 HydrophobicContact CE1-CB 4.09Å; F34-F82 AromaticContact CG-CD2 3.71Å; F34-F82 HydrophobicContact CG-CD2 3.71Å; F34-F82 HydrophobicContact CG-CE2 4.49Å; F34-F85 HydrophobicContact CD2-CB 4.4Å; F34-F85 AromaticContact CD2-CD1 3.87Å; F34-F85 HydrophobicContact CD2-CD1 3.87Å; F34-F85 HydrophobicContact CD2-CE1 4.3Å; F34-F85 HydrophobicContact CD2-CG 4.01Å; F34-F85 HydrophobicContact CE2-CB 3.95Å; F34-F85 HydrophobicContact CE2-CD1 4.25Å; F34-F85 HydrophobicContact CE2-CD2 4.39Å; F34-F85 AromaticContact CE2-CG 3.93Å; F34-F85 HydrophobicContact CE2-CG 3.93Å
35L88.6Confident89.1Confident29 Ų2962.4 Ų62.415%0.15232%0.315CS..Hα-helixtrans-69.4-25176.8-71.8-178000114Y31 G33 C38 P39Y31-L35 HydrophobicContact CD1-CD1 4.12Å; Y31-L35 HydrophobicContact CD2-CG 4.46Å; Y31-L35 HydrophobicContact CE1-CD1 3.57Å; Y31-L35 HydrophobicContact CE1-CG 4.41Å; Y31-L35 HydrophobicContact CE2-CD1 4.09Å; Y31-L35 HydrophobicContact CE2-CD2 4.44Å; Y31-L35 HydrophobicContact CE2-CG 4.14Å; Y31-L35 WeakPolarHBondContact O-CG 3.3Å; Y31-L35 PolarHBondContact O-N 2.65Å; G33-L35 PolarHBondContact O-N 3.47Å; L35-C38 CarbonylContact O-C 3.54Å; L35-P39 VanDerWaalsContact O-CA 3.32Å; L35-P39 WeakPolarHBondContact O-CA 3.38Å
36K86.9Confident89.1Confident168 Ų16861.3 Ų61.373%0.7331%0.31SS*.Hα-helixtrans-70.5-41.6175.2-178-173.1173.2-167.20110.8R32 G33 F34R32-K36 WeakPolarHBondContact O-CB 3.32Å; R32-K36 PolarHBondContact O-N 2.89Å; R32-K36 VanDerWaalsContact O-N 3.08Å; G33-K36 WeakPolarHBondContact O-CB 3.48Å; G33-K36 PolarHBondContact O-N 2.86Å; F34-K36 VanDerWaalsContact C-N 3.3Å; F34-K36 PolarHBondContact O-N 2.88Å
37D82.1Confident89Confident126 Ų12661.8 Ų61.867%0.67431%0.312SS*.Hα-helixtrans-86-29.7-177.9-61.6-25.8000111.9G33 F34G33-D37 PolarHBondContact O-N 2.83Å; F34-D37 PolarHBondContact O-N 3.19Å
38C85.9Confident88.9Confident8 Ų862.3 Ų62.35%0.05432%0.315CS..  trans-125.479.8176.8-57.20000110.8F34 L35 T40 G41 L43F34-C38 HydrophobicContact CE1-CB 4.27Å; F34-C38 HydrophobicContact CZ-CB 4.46Å; F34-C38 WeakPolarHBondContact O-CA 3.47Å; F34-C38 WeakPolarHBondContact O-CB 3.32Å; F34-C38 PolarHBondContact O-N 2.96Å; L35-C38 CarbonylContact O-C 3.54Å; C38-T40 PolarHBondContact O-N 3.42Å; C38-T40 VanDerWaalsContact O-N 3.07Å; C38-G41 PolarHBondContact O-N 2.96Å; C38-L43 WeakPolarHBondContact SG-CD1 3.3Å
39P86.4Confident88.8Confident80 Ų8062.5 Ų62.552%0.51932%0.315SS..THydrogen-bonded Turntrans-61.9-18.7-177.3-24.835000115.1Q4 L35 G41Q4-P39 PolarHBondContact NE2-O 3.14Å; L35-P39 VanDerWaalsContact O-CA 3.32Å; L35-P39 WeakPolarHBondContact O-CA 3.38Å; P39-G41 VanDerWaalsContact C-N 3.26Å
40T87.9Confident88.6Confident95 Ų9565.2 Ų65.258%0.58333%0.325SS*.THydrogen-bonded Turntrans-73.3-16.7173.550.50000112.7C38 H42C38-T40 PolarHBondContact O-N 3.42Å; C38-T40 VanDerWaalsContact O-N 3.07Å; T40-H42 PolarHBondContact O-N 3.4Å; T40-H42 PolarHBondContact O-ND1 3.02Å; T40-H42 PolarHBondContact OG1-N 2.84Å; T40-H42 PolarHBondContact OG1-O 3.2Å
41G87.7Confident88.2Confident17 Ų1763.5 Ų63.518%0.17532%0.323CS..SBendtrans75.47.7-172.700000114.5F34 C38 P39F34-G41 WeakPolarHBondContact CE1-O 3.16Å; C38-G41 PolarHBondContact O-N 2.96Å; P39-G41 VanDerWaalsContact C-N 3.26Å
42H90.8Very high87.6Confident83 Ų8363.6 Ų63.638%0.38432%0.324SS..EExtended strand (participates in β ladder)trans-138.1136.6-179.2-5680.5000108.6T40 T79T40-H42 PolarHBondContact O-N 3.4Å; T40-H42 PolarHBondContact O-ND1 3.02Å; T40-H42 PolarHBondContact OG1-N 2.84Å; T40-H42 PolarHBondContact OG1-O 3.2Å; H42-T79 HydrophobicContact CB-CG2 4.4Å
43L91.4Very high87.3Confident5 Ų560.3 Ų60.33%0.02632%0.322CS..EExtended strand (participates in β ladder)trans-102.4120.2176.8-177.969.3000109.1F34 C38 E47 F48 I51 F69 I80F34-L43 HydrophobicContact CE2-CB 4.37Å; F34-L43 HydrophobicContact CZ-CB 4.23Å; C38-L43 WeakPolarHBondContact SG-CD1 3.3Å; L43-E47 HydrophobicContact CD1-CB 3.4Å; L43-E47 VanDerWaalsContact CD1-CB 3.4Å; L43-E47 HydrophobicContact CG-CB 4.39Å; L43-F48 HydrophobicContact CD2-CB 4.26Å; L43-F48 HydrophobicContact CD2-CD2 3.65Å; L43-F48 HydrophobicContact CD2-CG 4.46Å; L43-F48 HydrophobicContact CG-CB 4.34Å; L43-I51 HydrophobicContact CD1-CD1 3.98Å; L43-I51 HydrophobicContact CD2-CD1 4.17Å; L43-F69 WeakPolarHBondContact O-CE2 3.5Å; L43-I80 HydrophobicContact CB-CB 4.27Å; L43-I80 PolarHBondContact N-O 2.84Å; L43-I80 PolarHBondContact O-N 3.37Å
44T92.5Very high86.9Confident54 Ų5465.3 Ų65.333%0.33134%0.342SS..EExtended strand (participates in β ladder)trans-83160.2177.762.50000111.5E46 E47 F48T44-E46 PolarHBondContact O-N 3.44Å; T44-E47 WeakPolarHBondContact CB-OE2 3.4Å; T44-E47 PolarHBondContact N-OE2 3.28Å; T44-E47 PolarHBondContact O-N 3.45Å; T44-E47 VanDerWaalsContact O-N 3.08Å; T44-E47 VanDerWaalsContact OG1-CD 3.24Å; T44-E47 WeakPolarHBondContact OG1-CG 3.48Å; T44-E47 PolarHBondContact OG1-N 3.36Å; T44-E47 PolarHBondContact OG1-OE2 3.03Å; T44-F48 PolarHBondContact O-N 3.47Å
45V90.9Very high86.2Confident37 Ų3772 Ų7222%0.22437%0.371CS..Hα-helixtrans-51.7-41.5174.9178.70000111.8F48 K49 E66 F69V45-F48 PolarHBondContact O-N 3.03Å; V45-K49 HydrophobicContact CG1-CD 4.2Å; V45-K49 HydrophobicContact CG1-CG 4.49Å; V45-K49 WeakPolarHBondContact O-CB 3.22Å; V45-K49 VanDerWaalsContact O-CG 3.31Å; V45-K49 WeakPolarHBondContact O-CG 3.32Å; V45-K49 PolarHBondContact O-N 2.88Å; V45-E66 HydrophobicContact CG1-CG 4.09Å; V45-F69 HydrophobicContact CB-CD2 4.36Å; V45-F69 HydrophobicContact CB-CE2 4.32Å; V45-F69 HydrophobicContact CB-CZ 4.45Å; V45-F69 HydrophobicContact CG2-CD1 3.57Å; V45-F69 HydrophobicContact CG2-CD2 4Å; V45-F69 HydrophobicContact CG2-CE1 3.41Å; V45-F69 VanDerWaalsContact CG2-CE1 3.41Å; V45-F69 HydrophobicContact CG2-CE2 3.85Å; V45-F69 HydrophobicContact CG2-CG 3.86Å; V45-F69 HydrophobicContact CG2-CZ 3.54Å; V45-F69 VanDerWaalsContact N-CE2 3.34Å
46E90.1Very high85.5Confident108 Ų10874.5 Ų74.551%0.50538%0.381SS..Hα-helixtrans-69.8-33.9-178.3-66-56.7124.500112.8T44 K49 K50T44-E46 PolarHBondContact O-N 3.44Å; E46-K49 IonicContact OE1-NZ 3.39Å; E46-K49 PolarHBondContact OE1-NZ 2.85Å; E46-K50 WeakPolarHBondContact O-CG 3.44Å; E46-K50 PolarHBondContact O-N 3.23Å
47E89.7Confident84.7Confident65 Ų6570.5 Ų70.530%0.30437%0.372SS..Hα-helixtrans-72.4-40.8173.1-69.1161147.800111L43 T44 K49 K50 I51L43-E47 HydrophobicContact CD1-CB 3.4Å; L43-E47 VanDerWaalsContact CD1-CB 3.4Å; L43-E47 HydrophobicContact CG-CB 4.39Å; T44-E47 WeakPolarHBondContact CB-OE2 3.4Å; T44-E47 PolarHBondContact N-OE2 3.28Å; T44-E47 PolarHBondContact O-N 3.45Å; T44-E47 VanDerWaalsContact O-N 3.08Å; T44-E47 VanDerWaalsContact OG1-CD 3.24Å; T44-E47 WeakPolarHBondContact OG1-CG 3.48Å; T44-E47 PolarHBondContact OG1-N 3.36Å; T44-E47 PolarHBondContact OG1-OE2 3.03Å; E47-K49 PolarHBondContact O-N 3.49Å; E47-K50 WeakPolarHBondContact O-CB 3.35Å; E47-K50 PolarHBondContact O-N 3.02Å; E47-I51 WeakPolarHBondContact O-CG1 3.29Å; E47-I51 PolarHBondContact O-N 3.38Å; E47-I51 VanDerWaalsContact O-N 3.15Å
48F88.9Confident84.2Confident11 Ų1173.4 Ų73.45%0.04838%0.375CS..Hα-helixtrans-61.2-43.7176.1-168.8-97.1000112.3L43 T44 V45 K50 I51 Y52 A65 V68 F69 F72 I80L43-F48 HydrophobicContact CD2-CB 4.26Å; L43-F48 HydrophobicContact CD2-CD2 3.65Å; L43-F48 HydrophobicContact CD2-CG 4.46Å; L43-F48 HydrophobicContact CG-CB 4.34Å; T44-F48 PolarHBondContact O-N 3.47Å; V45-F48 PolarHBondContact O-N 3.03Å; F48-K50 VanDerWaalsContact C-N 3.31Å; F48-K50 PolarHBondContact O-N 3.16Å; F48-I51 WeakPolarHBondContact O-CB 3.23Å; F48-I51 PolarHBondContact O-N 2.89Å; F48-I51 VanDerWaalsContact O-N 3.17Å; F48-Y52 HydrophobicContact CD1-CD2 4.02Å; F48-Y52 HydrophobicContact CD1-CE2 4.28Å; F48-Y52 AromaticContact CE1-CD2 3.52Å; F48-Y52 HydrophobicContact CE1-CD2 3.52Å; F48-Y52 AromaticContact CE1-CE2 3.36Å; F48-Y52 HydrophobicContact CE1-CE2 3.36Å; F48-Y52 HydrophobicContact CE1-CG 4.42Å; F48-Y52 HydrophobicContact CE2-CD2 4.44Å; F48-Y52 HydrophobicContact CE2-CE2 4.04Å; F48-Y52 AromaticContact CZ-CD2 3.78Å; F48-Y52 HydrophobicContact CZ-CD2 3.78Å; F48-Y52 AromaticContact CZ-CE2 3.22Å; F48-Y52 HydrophobicContact CZ-CE2 3.22Å; F48-Y52 PolarHBondContact O-N 2.87Å; F48-A65 HydrophobicContact CD1-CB 4.08Å; F48-A65 WeakPolarHBondContact CD1-O 3.43Å; F48-A65 HydrophobicContact CE1-CB 4.24Å; F48-A65 WeakPolarHBondContact CE1-O 3.47Å; F48-V68 HydrophobicContact CE1-CB 3.97Å; F48-V68 HydrophobicContact CE1-CG1 3.95Å; F48-V68 HydrophobicContact CZ-CB 4.2Å; F48-V68 HydrophobicContact CZ-CG1 3.64Å; F48-F69 HydrophobicContact CB-CD2 3.72Å; F48-F69 HydrophobicContact CB-CE2 4.29Å; F48-F69 HydrophobicContact CD1-CB 3.99Å; F48-F69 HydrophobicContact CD1-CD2 4.17Å; F48-F69 HydrophobicContact CD2-CD2 4.39Å; F48-F69 HydrophobicContact CE1-CB 4.26Å; F48-F69 AromaticContact CG-CD2 3.85Å; F48-F69 HydrophobicContact CG-CD2 3.85Å; F48-F72 HydrophobicContact CE2-CE2 4.49Å; F48-I80 HydrophobicContact CD2-CD1 4.14Å; F48-I80 HydrophobicContact CE2-CD1 4.34Å
49K88.6Confident83.6Confident36 Ų3674.1 Ų74.116%0.15738%0.384CS..Hα-helixtrans-57.3-41.6173.5-77.3170.4-177.7164.80112.5V45 E46 E47 I51 Y52 A53 A65 E66V45-K49 HydrophobicContact CG1-CD 4.2Å; V45-K49 HydrophobicContact CG1-CG 4.49Å; V45-K49 WeakPolarHBondContact O-CB 3.22Å; V45-K49 VanDerWaalsContact O-CG 3.31Å; V45-K49 WeakPolarHBondContact O-CG 3.32Å; V45-K49 PolarHBondContact O-N 2.88Å; E46-K49 IonicContact OE1-NZ 3.39Å; E46-K49 PolarHBondContact OE1-NZ 2.85Å; E47-K49 PolarHBondContact O-N 3.49Å; K49-I51 VanDerWaalsContact C-N 3.32Å; K49-I51 PolarHBondContact O-N 3.5Å; K49-Y52 PolarHBondContact O-N 2.92Å; K49-A53 WeakPolarHBondContact O-CB 3.38Å; K49-A53 PolarHBondContact O-N 3.28Å; K49-A65 HydrophobicContact CG-CB 4.08Å; K49-E66 WeakPolarHBondContact CE-OE1 3.45Å; K49-E66 IonicContact NZ-OE1 3.63Å; K49-E66 PolarHBondContact NZ-OE1 2.75Å
50K86.3Confident83.3Confident138 Ų13874.1 Ų74.160%0.638%0.379SS*.Hα-helixtrans-63.4-39.3177.7-70.7168.7-170.5171.20111.7E46 E47 F48 A53 N54E46-K50 WeakPolarHBondContact O-CG 3.44Å; E46-K50 PolarHBondContact O-N 3.23Å; E47-K50 WeakPolarHBondContact O-CB 3.35Å; E47-K50 PolarHBondContact O-N 3.02Å; F48-K50 VanDerWaalsContact C-N 3.31Å; F48-K50 PolarHBondContact O-N 3.16Å; K50-A53 PolarHBondContact O-N 3.22Å; K50-N54 PolarHBondContact O-N 3.39Å; K50-N54 PolarHBondContact O-ND2 3.02Å
51I82.6Confident83.2Confident70 Ų7069.8 Ų69.836%0.35935%0.353SS..Hα-helixtrans-61.6-49.9174.9-65.1162.7000109.6L43 E47 F48 K49 A53 N54 F55L43-I51 HydrophobicContact CD1-CD1 3.98Å; L43-I51 HydrophobicContact CD2-CD1 4.17Å; E47-I51 WeakPolarHBondContact O-CG1 3.29Å; E47-I51 PolarHBondContact O-N 3.38Å; E47-I51 VanDerWaalsContact O-N 3.15Å; F48-I51 WeakPolarHBondContact O-CB 3.23Å; F48-I51 PolarHBondContact O-N 2.89Å; F48-I51 VanDerWaalsContact O-N 3.17Å; K49-I51 VanDerWaalsContact C-N 3.32Å; K49-I51 PolarHBondContact O-N 3.5Å; I51-A53 VanDerWaalsContact C-N 3.33Å; I51-A53 PolarHBondContact O-N 2.99Å; I51-N54 WeakPolarHBondContact O-CB 3.42Å; I51-N54 PolarHBondContact O-N 3.31Å; I51-N54 VanDerWaalsContact O-N 3.13Å; I51-F55 HydrophobicContact CG2-CD2 4.24Å; I51-F55 HydrophobicContact CG2-CE2 3.78Å; I51-F55 VanDerWaalsContact O-CD2 3.23Å; I51-F55 WeakPolarHBondContact O-CD2 3.43Å
52Y78.2Confident83.1Confident48 Ų4871 Ų7119%0.18836%0.359CS..Hα-helixtrans-61.8-37.9178.8-98.7-107000113.4F48 K49 N54 F55 F56 F64 A65 V68F48-Y52 HydrophobicContact CD1-CD2 4.02Å; F48-Y52 HydrophobicContact CD1-CE2 4.28Å; F48-Y52 AromaticContact CE1-CD2 3.52Å; F48-Y52 HydrophobicContact CE1-CD2 3.52Å; F48-Y52 AromaticContact CE1-CE2 3.36Å; F48-Y52 HydrophobicContact CE1-CE2 3.36Å; F48-Y52 HydrophobicContact CE1-CG 4.42Å; F48-Y52 HydrophobicContact CE2-CD2 4.44Å; F48-Y52 HydrophobicContact CE2-CE2 4.04Å; F48-Y52 AromaticContact CZ-CD2 3.78Å; F48-Y52 HydrophobicContact CZ-CD2 3.78Å; F48-Y52 AromaticContact CZ-CE2 3.22Å; F48-Y52 HydrophobicContact CZ-CE2 3.22Å; F48-Y52 PolarHBondContact O-N 2.87Å; K49-Y52 PolarHBondContact O-N 2.92Å; Y52-N54 PolarHBondContact O-N 3.42Å; Y52-F55 PolarHBondContact O-N 3.05Å; Y52-F55 VanDerWaalsContact O-N 3.1Å; Y52-F56 HydrophobicContact CD1-CD2 4.23Å; Y52-F56 HydrophobicContact CD1-CE2 4.2Å; Y52-F56 HydrophobicContact CE1-CE2 4.32Å; Y52-F56 PolarHBondContact O-N 2.98Å; Y52-F64 HydrophobicContact CD1-CD1 4.46Å; Y52-F64 HydrophobicContact CE1-CD1 4.06Å; Y52-F64 HydrophobicContact CE1-CE1 4.14Å; Y52-A65 HydrophobicContact CD1-CB 4.1Å; Y52-A65 HydrophobicContact CD2-CB 4.33Å; Y52-A65 HydrophobicContact CG-CB 3.79Å; Y52-V68 HydrophobicContact CE1-CG2 4.33Å
53A81.9Confident83Confident49 Ų4970.6 Ų70.641%0.40536%0.356SS..Hα-helixtrans-61.1-30.5176.200000112.8K49 K50 I51 F56 P57K49-A53 WeakPolarHBondContact O-CB 3.38Å; K49-A53 PolarHBondContact O-N 3.28Å; K50-A53 PolarHBondContact O-N 3.22Å; I51-A53 VanDerWaalsContact C-N 3.33Å; I51-A53 PolarHBondContact O-N 2.99Å; A53-F56 CarbonylContact O-C 3.43Å; A53-P57 VanDerWaalsContact O-CA 3.3Å; A53-P57 WeakPolarHBondContact O-CA 3.3Å
54N79.9Confident82.8Confident132 Ų13271.8 Ų71.871%0.70636%0.361SS*.Hα-helixtrans-70.4-31.7175.6-66.3-28000112.7K50 I51 Y52K50-N54 PolarHBondContact O-N 3.39Å; K50-N54 PolarHBondContact O-ND2 3.02Å; I51-N54 WeakPolarHBondContact O-CB 3.42Å; I51-N54 PolarHBondContact O-N 3.31Å; I51-N54 VanDerWaalsContact O-N 3.13Å; Y52-N54 PolarHBondContact O-N 3.42Å
55F73.8Confident82.7Confident153 Ų15369.2 Ų69.267%0.67135%0.346SS*.Hα-helixtrans-82.3-30.4178-70.1-74.6000112.9I51 Y52 P57I51-F55 HydrophobicContact CG2-CD2 4.24Å; I51-F55 HydrophobicContact CG2-CE2 3.78Å; I51-F55 VanDerWaalsContact O-CD2 3.23Å; I51-F55 WeakPolarHBondContact O-CD2 3.43Å; Y52-F55 PolarHBondContact O-N 3.05Å; Y52-F55 VanDerWaalsContact O-N 3.1Å; F55-P57 VanDerWaalsContact O-CD 3.31Å; F55-P57 WeakPolarHBondContact O-CD 3.42Å
56F72.3Confident82.7Confident82 Ų8271.2 Ų71.236%0.3635%0.352SS..SBendtrans-121.861.2-179.7-60.1-81.9000111.5Y52 A53 Y58 G59 A61 M131Y52-F56 HydrophobicContact CD1-CD2 4.23Å; Y52-F56 HydrophobicContact CD1-CE2 4.2Å; Y52-F56 HydrophobicContact CE1-CE2 4.32Å; Y52-F56 PolarHBondContact O-N 2.98Å; A53-F56 CarbonylContact O-C 3.43Å; F56-Y58 PolarHBondContact O-N 3.43Å; F56-G59 PolarHBondContact O-N 2.92Å; F56-A61 HydrophobicContact CB-CB 4.01Å; F56-M131 HydrophobicContact CB-CG 4.31Å; F56-M131 HydrophobicContact CD1-CG 4.19Å; F56-M131 HydrophobicContact CD1-SD 4.16Å; F56-M131 HydrophobicContact CD2-SD 4.08Å; F56-M131 HydrophobicContact CE1-CE 4.31Å; F56-M131 HydrophobicContact CE1-SD 4.3Å; F56-M131 HydrophobicContact CE2-SD 4.22Å; F56-M131 HydrophobicContact CG-CG 4.17Å; F56-M131 HydrophobicContact CG-SD 4.04Å; F56-M131 HydrophobicContact CZ-CE 4.45Å; F56-M131 HydrophobicContact CZ-SD 4.33Å
57P71.4Confident82.7Confident83 Ų8366.8 Ų66.854%0.53933%0.332SS..THydrogen-bonded Turntrans-68.1-13.6-169.427.4-35.8000114.5A53 F55A53-P57 VanDerWaalsContact O-CA 3.3Å; A53-P57 WeakPolarHBondContact O-CA 3.3Å; F55-P57 VanDerWaalsContact O-CD 3.31Å; F55-P57 WeakPolarHBondContact O-CD 3.42Å
58Y71.7Confident82.7Confident187 Ų18763.8 Ų63.873%0.73332%0.318SS*.THydrogen-bonded Turntrans-102.4-7-175.8-57.2-69.2000113.7F56 S134F56-Y58 PolarHBondContact O-N 3.43Å; Y58-S134 VanDerWaalsContact C-OG 3.25Å; Y58-S134 VanDerWaalsContact O-CB 3.24Å; Y58-S134 WeakPolarHBondContact O-CB 3.26Å; Y58-S134 PolarHBondContact O-OG 3.47Å
59G71.9Confident82.8Confident23 Ų2363.6 Ų63.624%0.23732%0.317CS..SBendtrans-122.8165.8-176.700000112.9F56 A61 M131F56-G59 PolarHBondContact O-N 2.92Å; G59-A61 PolarHBondContact O-N 3.46Å; G59-M131 WeakPolarHBondContact CA-O 3.47Å
60D81.8Confident82.9Confident80 Ų8065.8 Ų65.843%0.42832%0.324SS..  trans-85.488.1169.3-176.16.3000109.6S62 K130D60-S62 VanDerWaalsContact C-N 3.27Å; D60-S62 VanDerWaalsContact OD1-CB 3.26Å; D60-S62 WeakPolarHBondContact OD1-CB 3.45Å; D60-S62 PolarHBondContact OD1-N 3.28Å; D60-S62 VanDerWaalsContact OD1-N 3.14Å; D60-S62 PolarHBondContact OD1-OG 2.82Å; D60-K130 PolarHBondContact N-O 2.93Å
61A83.9Confident83Confident5 Ų560 Ų604%0.04130%0.3CS..  trans-82-1.7177.900000113.3F56 G59 F64 A65 M131F56-A61 HydrophobicContact CB-CB 4.01Å; G59-A61 PolarHBondContact O-N 3.46Å; A61-F64 PolarHBondContact O-N 2.92Å; A61-A65 VanDerWaalsContact O-CB 3.27Å; A61-A65 WeakPolarHBondContact O-CB 3.5Å; A61-A65 PolarHBondContact O-N 3.05Å; A61-M131 HydrophobicContact CB-CG 4Å; A61-M131 HydrophobicContact CB-SD 4.13Å
62S87.3Confident83.4Confident43 Ų4357.4 Ų57.430%0.30129%0.287SS..Hα-helixtrans-60.5-53.5-169.763.40000112.6D60 F64 A65 E66D60-S62 VanDerWaalsContact C-N 3.27Å; D60-S62 VanDerWaalsContact OD1-CB 3.26Å; D60-S62 WeakPolarHBondContact OD1-CB 3.45Å; D60-S62 PolarHBondContact OD1-N 3.28Å; D60-S62 VanDerWaalsContact OD1-N 3.14Å; D60-S62 PolarHBondContact OD1-OG 2.82Å; S62-F64 PolarHBondContact O-N 3.25Å; S62-A65 PolarHBondContact O-N 2.8Å; S62-E66 WeakPolarHBondContact O-CG 3.24Å; S62-E66 PolarHBondContact O-N 2.69Å
63K87.9Confident84.1Confident74 Ų7456.2 Ų56.232%0.32228%0.284SS..Hα-helixtrans-60.7-42.2176.4-85.3-126.2174.8-1720112.6A65 E66 H67 E123 A127K63-A65 VanDerWaalsContact C-N 3.34Å; K63-E66 WeakPolarHBondContact O-CB 3.29Å; K63-E66 PolarHBondContact O-N 3.5Å; K63-H67 PolarHBondContact O-CD2 3.48Å; K63-H67 PolarHBondContact O-N 3.36Å; K63-E123 IonicContact NZ-OE1 2.8Å; K63-E123 PolarHBondContact NZ-OE1 3.24Å; K63-A127 HydrophobicContact CB-CB 4.06Å
64F87.5Confident84.3Confident30 Ų3059 Ų5913%0.13230%0.295CS..Hα-helixtrans-65.5-41.2178.5-173.8-105000111.1Y52 A61 S62 E66 H67 V68 M107 A127 I128 M131Y52-F64 HydrophobicContact CD1-CD1 4.46Å; Y52-F64 HydrophobicContact CE1-CD1 4.06Å; Y52-F64 HydrophobicContact CE1-CE1 4.14Å; A61-F64 PolarHBondContact O-N 2.92Å; S62-F64 PolarHBondContact O-N 3.25Å; F64-E66 VanDerWaalsContact C-N 3.31Å; F64-E66 PolarHBondContact O-N 3.39Å; F64-H67 PolarHBondContact O-N 3.4Å; F64-V68 HydrophobicContact CD1-CG2 4.06Å; F64-V68 HydrophobicContact CE1-CG2 3.69Å; F64-V68 HydrophobicContact CZ-CG2 3.99Å; F64-V68 WeakPolarHBondContact O-CG2 3.39Å; F64-V68 PolarHBondContact O-N 3.05Å; F64-M107 HydrophobicContact CE2-SD 3.94Å; F64-M107 HydrophobicContact CZ-SD 4.12Å; F64-A127 HydrophobicContact CB-CB 4.32Å; F64-I128 HydrophobicContact CD2-CG1 3.74Å; F64-I128 HydrophobicContact CE2-CD1 4.16Å; F64-I128 HydrophobicContact CE2-CG1 3.64Å; F64-M131 HydrophobicContact CB-SD 4.08Å; F64-M131 HydrophobicContact CD1-CE 3.88Å; F64-M131 HydrophobicContact CD1-SD 3.52Å; F64-M131 VanDerWaalsContact CD1-SD 3.52Å; F64-M131 HydrophobicContact CE1-CE 4.07Å; F64-M131 HydrophobicContact CE1-SD 4.21Å; F64-M131 HydrophobicContact CG-CE 4.22Å; F64-M131 HydrophobicContact CG-SD 3.93Å
65A89.4Confident84.8Confident0 Ų056.8 Ų56.80%028%0.284CS..Hα-helixtrans-62-36.5175.200000112.3F48 K49 Y52 A61 S62 K63 V68 F69F48-A65 HydrophobicContact CD1-CB 4.08Å; F48-A65 WeakPolarHBondContact CD1-O 3.43Å; F48-A65 HydrophobicContact CE1-CB 4.24Å; F48-A65 WeakPolarHBondContact CE1-O 3.47Å; K49-A65 HydrophobicContact CG-CB 4.08Å; Y52-A65 HydrophobicContact CD1-CB 4.1Å; Y52-A65 HydrophobicContact CD2-CB 4.33Å; Y52-A65 HydrophobicContact CG-CB 3.79Å; A61-A65 VanDerWaalsContact O-CB 3.27Å; A61-A65 WeakPolarHBondContact O-CB 3.5Å; A61-A65 PolarHBondContact O-N 3.05Å; S62-A65 PolarHBondContact O-N 2.8Å; K63-A65 VanDerWaalsContact C-N 3.34Å; A65-V68 PolarHBondContact O-N 3.05Å; A65-F69 VanDerWaalsContact O-CB 3.24Å; A65-F69 WeakPolarHBondContact O-CB 3.35Å; A65-F69 PolarHBondContact O-N 3.08Å
66E91.1Very high85.5Confident78 Ų7852.4 Ų52.436%0.36428%0.282SS..Hα-helixtrans-61.4-43.3172.8-70.2171.9-178.900112.2V45 K49 S62 K63 F64 F69 R70V45-E66 HydrophobicContact CG1-CG 4.09Å; K49-E66 WeakPolarHBondContact CE-OE1 3.45Å; K49-E66 IonicContact NZ-OE1 3.63Å; K49-E66 PolarHBondContact NZ-OE1 2.75Å; S62-E66 WeakPolarHBondContact O-CG 3.24Å; S62-E66 PolarHBondContact O-N 2.69Å; K63-E66 WeakPolarHBondContact O-CB 3.29Å; K63-E66 PolarHBondContact O-N 3.5Å; F64-E66 VanDerWaalsContact C-N 3.31Å; F64-E66 PolarHBondContact O-N 3.39Å; E66-F69 WeakPolarHBondContact O-CB 3.4Å; E66-F69 PolarHBondContact O-N 2.99Å; E66-R70 PolarHBondContact O-N 3.19Å
67H90.6Very high86.5Confident16 Ų1652 Ų527%0.07428%0.284CS..Hα-helixtrans-66.7-41.8177.6-67.1-56.5000112.4K63 F64 F69 R70 T71 M107 I124K63-H67 PolarHBondContact O-CD2 3.48Å; K63-H67 PolarHBondContact O-N 3.36Å; F64-H67 PolarHBondContact O-N 3.4Å; H67-F69 VanDerWaalsContact C-N 3.34Å; H67-R70 PolarHBondContact O-N 2.73Å; H67-T71 PolarHBondContact O-N 3.39Å; H67-M107 HydrophobicContact CB-CG 4.37Å; H67-I124 HydrophobicContact CB-CD1 3.77Å; H67-I124 WeakPolarHBondContact CD2-CD1 3.23Å; H67-I124 WeakPolarHBondContact ND1-CD1 3.43Å
68V89.4Confident87.5Confident1 Ų151 Ų511%0.00628%0.282CS..Hα-helixtrans-62.3-45.4173.6178.80000110.2F48 Y52 F64 A65 R70 T71 F72 W103 M107F48-V68 HydrophobicContact CE1-CB 3.97Å; F48-V68 HydrophobicContact CE1-CG1 3.95Å; F48-V68 HydrophobicContact CZ-CB 4.2Å; F48-V68 HydrophobicContact CZ-CG1 3.64Å; Y52-V68 HydrophobicContact CE1-CG2 4.33Å; F64-V68 HydrophobicContact CD1-CG2 4.06Å; F64-V68 HydrophobicContact CE1-CG2 3.69Å; F64-V68 HydrophobicContact CZ-CG2 3.99Å; F64-V68 WeakPolarHBondContact O-CG2 3.39Å; F64-V68 PolarHBondContact O-N 3.05Å; A65-V68 PolarHBondContact O-N 3.05Å; V68-R70 VanDerWaalsContact C-N 3.29Å; V68-R70 PolarHBondContact O-N 2.84Å; V68-T71 PolarHBondContact O-N 3.08Å; V68-T71 PolarHBondContact O-OG1 2.76Å; V68-F72 HydrophobicContact CG1-CD1 3.96Å; V68-F72 HydrophobicContact CG1-CE1 3.6Å; V68-F72 HydrophobicContact CG1-CZ 4.29Å; V68-F72 VanDerWaalsContact O-CD1 3.31Å; V68-F72 WeakPolarHBondContact O-CD1 3.34Å; V68-F72 PolarHBondContact O-N 3.31Å; V68-W103 HydrophobicContact CG1-CH2 4.46Å; V68-W103 HydrophobicContact CG1-CZ2 4.24Å; V68-M107 HydrophobicContact CB-CE 4.46Å; V68-M107 HydrophobicContact CG2-CE 3.74Å; V68-M107 HydrophobicContact CG2-SD 4.35Å
69F91.7Very high88.6Confident7 Ų743.4 Ų43.43%0.03126%0.255CS..Hα-helixtrans-54.2-46.6178.9-177.2-79.4000111.5L43 V45 F48 A65 E66 H67 T71 F72 D73 A78 I80L43-F69 WeakPolarHBondContact O-CE2 3.5Å; V45-F69 HydrophobicContact CB-CD2 4.36Å; V45-F69 HydrophobicContact CB-CE2 4.32Å; V45-F69 HydrophobicContact CB-CZ 4.45Å; V45-F69 HydrophobicContact CG2-CD1 3.57Å; V45-F69 HydrophobicContact CG2-CD2 4Å; V45-F69 HydrophobicContact CG2-CE1 3.41Å; V45-F69 VanDerWaalsContact CG2-CE1 3.41Å; V45-F69 HydrophobicContact CG2-CE2 3.85Å; V45-F69 HydrophobicContact CG2-CG 3.86Å; V45-F69 HydrophobicContact CG2-CZ 3.54Å; V45-F69 VanDerWaalsContact N-CE2 3.34Å; F48-F69 HydrophobicContact CB-CD2 3.72Å; F48-F69 HydrophobicContact CB-CE2 4.29Å; F48-F69 HydrophobicContact CD1-CB 3.99Å; F48-F69 HydrophobicContact CD1-CD2 4.17Å; F48-F69 HydrophobicContact CD2-CD2 4.39Å; F48-F69 HydrophobicContact CE1-CB 4.26Å; F48-F69 AromaticContact CG-CD2 3.85Å; F48-F69 HydrophobicContact CG-CD2 3.85Å; A65-F69 VanDerWaalsContact O-CB 3.24Å; A65-F69 WeakPolarHBondContact O-CB 3.35Å; A65-F69 PolarHBondContact O-N 3.08Å; E66-F69 WeakPolarHBondContact O-CB 3.4Å; E66-F69 PolarHBondContact O-N 2.99Å; H67-F69 VanDerWaalsContact C-N 3.34Å; F69-T71 PolarHBondContact O-N 2.91Å; F69-F72 WeakPolarHBondContact O-CA 3.44Å; F69-F72 WeakPolarHBondContact O-CB 3.34Å; F69-F72 PolarHBondContact O-N 3.15Å; F69-D73 HydrophobicContact CD1-CB 4.14Å; F69-D73 HydrophobicContact CE1-CB 3.79Å; F69-D73 PolarHBondContact O-N 2.89Å; F69-A78 WeakPolarHBondContact CZ-O 3.33Å; F69-I80 HydrophobicContact CD1-CD1 4.47Å; F69-I80 HydrophobicContact CD2-CD1 3.26Å; F69-I80 HydrophobicContact CD2-CG1 3.93Å; F69-I80 HydrophobicContact CE1-CG1 4.27Å; F69-I80 HydrophobicContact CE2-CB 4.36Å; F69-I80 HydrophobicContact CE2-CD1 3.37Å; F69-I80 HydrophobicContact CE2-CG1 3.55Å; F69-I80 HydrophobicContact CG-CD1 3.87Å; F69-I80 HydrophobicContact CG-CG1 4.45Å; F69-I80 HydrophobicContact CZ-CD1 4.04Å; F69-I80 HydrophobicContact CZ-CG1 3.74Å
70R90.9Very high89.6Confident82 Ų8242.3 Ų42.331%0.30924%0.244SC..Hα-helixtrans-59.5-32.2178.2-172.1-171.764-155.3-9.2113E66 H67 V68 F72 M107 L110E66-R70 PolarHBondContact O-N 3.19Å; H67-R70 PolarHBondContact O-N 2.73Å; V68-R70 VanDerWaalsContact C-N 3.29Å; V68-R70 PolarHBondContact O-N 2.84Å; R70-F72 VanDerWaalsContact C-N 3.27Å; R70-F72 PolarHBondContact O-N 2.73Å; R70-M107 PolarHBondContact NH2-O 2.84Å; R70-L110 VanDerWaalsContact NH1-CA 3.29Å; R70-L110 VanDerWaalsContact NH1-CB 3.29Å; R70-L110 VanDerWaalsContact NH1-CD2 3.28Å; R70-L110 PolarHBondContact NH1-O 3.3Å
71T88.6Confident90.2Very high17 Ų1740.7 Ų40.710%0.10424%0.235CC..Hα-helixtrans-77.2-14176.164.70000113.9H67 V68 F69 W103 M107H67-T71 PolarHBondContact O-N 3.39Å; V68-T71 PolarHBondContact O-N 3.08Å; V68-T71 PolarHBondContact O-OG1 2.76Å; F69-T71 PolarHBondContact O-N 2.91Å; T71-W103 VanDerWaalsContact OG1-CZ2 3.24Å; T71-W103 WeakPolarHBondContact OG1-CZ2 3.5Å; T71-W103 PolarHBondContact OG1-NE1 3.35Å; T71-M107 HydrophobicContact CG2-CB 3.76Å; T71-M107 HydrophobicContact CG2-CG 4.13Å
72F90.4Very high90.5Very high16 Ų1641 Ų417%0.0724%0.236CC..Hα-helixtrans-92.7-41.1174.8-79.246.5000110.3F48 V68 F69 R70 T74 I80 E84 F85 A88 W103F48-F72 HydrophobicContact CE2-CE2 4.49Å; V68-F72 HydrophobicContact CG1-CD1 3.96Å; V68-F72 HydrophobicContact CG1-CE1 3.6Å; V68-F72 HydrophobicContact CG1-CZ 4.29Å; V68-F72 VanDerWaalsContact O-CD1 3.31Å; V68-F72 WeakPolarHBondContact O-CD1 3.34Å; V68-F72 PolarHBondContact O-N 3.31Å; F69-F72 WeakPolarHBondContact O-CA 3.44Å; F69-F72 WeakPolarHBondContact O-CB 3.34Å; F69-F72 PolarHBondContact O-N 3.15Å; R70-F72 VanDerWaalsContact C-N 3.27Å; R70-F72 PolarHBondContact O-N 2.73Å; F72-T74 VanDerWaalsContact C-N 3.35Å; F72-T74 PolarHBondContact O-N 3.43Å; F72-I80 HydrophobicContact CB-CD1 3.43Å; F72-I80 VanDerWaalsContact CB-CD1 3.43Å; F72-I80 HydrophobicContact CB-CG1 3.8Å; F72-I80 HydrophobicContact CB-CG2 4.41Å; F72-I80 HydrophobicContact CD2-CD1 4.12Å; F72-I80 HydrophobicContact CG-CD1 4.12Å; F72-E84 VanDerWaalsContact O-CB 3.32Å; F72-E84 WeakPolarHBondContact O-CB 3.49Å; F72-F85 HydrophobicContact CE2-CD2 4.45Å; F72-A88 HydrophobicContact CB-CB 4.43Å; F72-A88 HydrophobicContact CD1-CB 3.64Å; F72-A88 HydrophobicContact CD2-CB 3.45Å; F72-A88 VanDerWaalsContact CD2-CB 3.45Å; F72-A88 HydrophobicContact CE1-CB 3.61Å; F72-A88 HydrophobicContact CE2-CB 3.43Å; F72-A88 VanDerWaalsContact CE2-CB 3.43Å; F72-A88 HydrophobicContact CG-CB 3.56Å; F72-A88 HydrophobicContact CZ-CB 3.51Å; F72-W103 HydrophobicContact CD1-CZ2 4.24Å; F72-W103 AromaticContact CE1-CZ2 3.66Å; F72-W103 HydrophobicContact CE1-CZ2 3.66Å
73D91.8Very high90.8Very high23 Ų2343.1 Ų43.112%0.12324%0.237CC..  trans-7284.4174.8178.57.2000110.4F69 N75 G76 D77 A78 I80F69-D73 HydrophobicContact CD1-CB 4.14Å; F69-D73 HydrophobicContact CE1-CB 3.79Å; F69-D73 PolarHBondContact O-N 2.89Å; D73-N75 PolarHBondContact OD1-OD1 3.29Å; D73-G76 WeakPolarHBondContact OD1-CA 3.42Å; D73-G76 PolarHBondContact OD1-N 3.5Å; D73-D77 PolarHBondContact OD1-N 3.39Å; D73-D77 VanDerWaalsContact OD1-N 3.14Å; D73-A78 VanDerWaalsContact OD2-CA 3.23Å; D73-A78 WeakPolarHBondContact OD2-CA 3.37Å; D73-A78 PolarHBondContact OD2-N 2.9Å; D73-I80 HydrophobicContact CB-CG1 4.39Å
74T87.2Confident91Very high106 Ų10640 Ų4065%0.6522%0.223SC*.SBendtrans-80-24-176.657.80000112.8F72 E84F72-T74 VanDerWaalsContact C-N 3.35Å; F72-T74 PolarHBondContact O-N 3.43Å; T74-E84 PolarHBondContact N-OE1 3.3Å; T74-E84 PolarHBondContact OG1-OE1 3.09Å
75N90.1Very high91.2Very high87 Ų8740.3 Ų40.347%0.46523%0.225SC..SBendtrans-92.4-12.5-178.775.69.6000112.8D73 D77 E84D73-N75 PolarHBondContact OD1-OD1 3.29Å; N75-D77 PolarHBondContact ND2-OD2 3.47Å; N75-D77 VanDerWaalsContact OD1-CB 3.27Å; N75-D77 WeakPolarHBondContact OD1-CB 3.39Å; N75-D77 PolarHBondContact OD1-N 3Å; N75-D77 PolarHBondContact OD1-OD1 3.28Å; N75-D77 PolarHBondContact OD1-OD2 3.43Å; N75-E84 PolarHBondContact N-OE1 2.94Å; N75-E84 VanDerWaalsContact N-OE1 3.11Å
76G89.1Confident91.3Very high61 Ų6140.3 Ų40.363%0.62923%0.225SC*.  trans73.824.5177.300000113.9D73 A78D73-G76 WeakPolarHBondContact OD1-CA 3.42Å; D73-G76 PolarHBondContact OD1-N 3.5Å; G76-A78 VanDerWaalsContact C-N 3.27Å
77D93.3Very high91.3Very high74 Ų7438.5 Ų38.540%0.39622%0.217SC..SBendtrans-87.24.7-178.177.416000113.9D73 N75 T79D73-D77 PolarHBondContact OD1-N 3.39Å; D73-D77 VanDerWaalsContact OD1-N 3.14Å; N75-D77 PolarHBondContact ND2-OD2 3.47Å; N75-D77 VanDerWaalsContact OD1-CB 3.27Å; N75-D77 WeakPolarHBondContact OD1-CB 3.39Å; N75-D77 PolarHBondContact OD1-N 3Å; N75-D77 PolarHBondContact OD1-OD1 3.28Å; N75-D77 PolarHBondContact OD1-OD2 3.43Å; D77-T79 PolarHBondContact O-N 2.93Å; D77-T79 WeakPolarHBondContact OD1-CA 3.36Å; D77-T79 WeakPolarHBondContact OD1-CB 3.49Å; D77-T79 PolarHBondContact OD1-N 2.73Å; D77-T79 VanDerWaalsContact OD1-O 3.1Å; D77-T79 PolarHBondContact OD1-OG1 2.98Å; D77-T79 PolarHBondContact OD2-OG1 2.99Å
78A92.1Very high91.2Very high60 Ų6038.1 Ų38.150%0.49622%0.217SC..SBendtrans63.818.6-177.300000113.9F69 D73 G76F69-A78 WeakPolarHBondContact CZ-O 3.33Å; D73-A78 VanDerWaalsContact OD2-CA 3.23Å; D73-A78 WeakPolarHBondContact OD2-CA 3.37Å; D73-A78 PolarHBondContact OD2-N 2.9Å; G76-A78 VanDerWaalsContact C-N 3.27Å
79T93.9Very high91.2Very high29 Ų2939.8 Ų39.818%0.17823%0.225CC..EExtended strand (participates in β ladder)trans-129.4160.2169.572.10000110H42 D77H42-T79 HydrophobicContact CB-CG2 4.4Å; D77-T79 PolarHBondContact O-N 2.93Å; D77-T79 WeakPolarHBondContact OD1-CA 3.36Å; D77-T79 WeakPolarHBondContact OD1-CB 3.49Å; D77-T79 PolarHBondContact OD1-N 2.73Å; D77-T79 VanDerWaalsContact OD1-O 3.1Å; D77-T79 PolarHBondContact OD1-OG1 2.98Å; D77-T79 PolarHBondContact OD2-OG1 2.99Å
80I93.9Very high91Very high0 Ų039.7 Ų39.70%023%0.226CC..EExtended strand (participates in β ladder)trans-111.8115.9169.4-67.1165.3000106.8L43 F48 F69 F72 D73 E84 F85L43-I80 HydrophobicContact CB-CB 4.27Å; L43-I80 PolarHBondContact N-O 2.84Å; L43-I80 PolarHBondContact O-N 3.37Å; F48-I80 HydrophobicContact CD2-CD1 4.14Å; F48-I80 HydrophobicContact CE2-CD1 4.34Å; F69-I80 HydrophobicContact CD1-CD1 4.47Å; F69-I80 HydrophobicContact CD2-CD1 3.26Å; F69-I80 HydrophobicContact CD2-CG1 3.93Å; F69-I80 HydrophobicContact CE1-CG1 4.27Å; F69-I80 HydrophobicContact CE2-CB 4.36Å; F69-I80 HydrophobicContact CE2-CD1 3.37Å; F69-I80 HydrophobicContact CE2-CG1 3.55Å; F69-I80 HydrophobicContact CG-CD1 3.87Å; F69-I80 HydrophobicContact CG-CG1 4.45Å; F69-I80 HydrophobicContact CZ-CD1 4.04Å; F69-I80 HydrophobicContact CZ-CG1 3.74Å; F72-I80 HydrophobicContact CB-CD1 3.43Å; F72-I80 VanDerWaalsContact CB-CD1 3.43Å; F72-I80 HydrophobicContact CB-CG1 3.8Å; F72-I80 HydrophobicContact CB-CG2 4.41Å; F72-I80 HydrophobicContact CD2-CD1 4.12Å; F72-I80 HydrophobicContact CG-CD1 4.12Å; D73-I80 HydrophobicContact CB-CG1 4.39Å; I80-E84 WeakPolarHBondContact CA-OE2 3.34Å; I80-E84 HydrophobicContact CG2-CB 3.94Å; I80-F85 HydrophobicContact CG2-CB 3.8Å
81D93.3Very high90.9Very high45 Ų4537.4 Ų37.424%0.24122%0.221CC..EExtended strand (participates in β ladder)trans-79.9173.5171.179.824.4000111.7R83 E84 F85D81-R83 VanDerWaalsContact C-N 3.27Å; D81-R83 PolarHBondContact O-N 3.39Å; D81-R83 VanDerWaalsContact OD1-CA 3.31Å; D81-R83 WeakPolarHBondContact OD1-CA 3.5Å; D81-R83 VanDerWaalsContact OD1-CB 3.24Å; D81-R83 WeakPolarHBondContact OD1-CB 3.48Å; D81-R83 PolarHBondContact OD1-N 2.68Å; D81-E84 PolarHBondContact N-OE2 2.9Å; D81-E84 PolarHBondContact O-N 2.83Å; D81-E84 PolarHBondContact OD1-N 3.34Å; D81-F85 WeakPolarHBondContact O-CB 3.39Å; D81-F85 PolarHBondContact O-N 2.96Å
82F91.9Very high90.6Very high13 Ų1338.2 Ų38.26%0.05723%0.226CC..Hα-helixtrans-62-35.1-179.8178.4-109.2000113.4L8 L16 W30 Y31 F34 F85 I86L8-F82 HydrophobicContact CD1-CE1 3.94Å; L8-F82 HydrophobicContact CD2-CD1 3.93Å; L8-F82 HydrophobicContact CD2-CE1 3.93Å; L8-F82 HydrophobicContact CG-CE1 4.48Å; L16-F82 HydrophobicContact CD1-CD1 4.04Å; L16-F82 HydrophobicContact CD1-CE1 3.65Å; W30-F82 HydrophobicContact CB-CE2 4.02Å; W30-F82 HydrophobicContact CB-CZ 4.04Å; Y31-F82 HydrophobicContact CD2-CB 4.09Å; Y31-F82 AromaticContact CD2-CD1 3.45Å; Y31-F82 HydrophobicContact CD2-CD1 3.45Å; Y31-F82 VanDerWaalsContact CD2-CD1 3.45Å; Y31-F82 AromaticContact CD2-CD2 3.88Å; Y31-F82 HydrophobicContact CD2-CD2 3.88Å; Y31-F82 AromaticContact CD2-CE1 3.77Å; Y31-F82 HydrophobicContact CD2-CE1 3.77Å; Y31-F82 HydrophobicContact CD2-CE2 4.18Å; Y31-F82 AromaticContact CD2-CG 3.5Å; Y31-F82 HydrophobicContact CD2-CG 3.5Å; Y31-F82 HydrophobicContact CD2-CZ 4.13Å; Y31-F82 HydrophobicContact CE2-CB 4.2Å; Y31-F82 HydrophobicContact CE2-CD1 4.11Å; Y31-F82 HydrophobicContact CE2-CG 4.1Å; Y31-F82 HydrophobicContact CG-CD1 4.32Å; Y31-F82 HydrophobicContact CG-CE1 4.2Å; Y31-F82 HydrophobicContact CG-CZ 4.36Å; F34-F82 HydrophobicContact CB-CD2 3.71Å; F34-F82 HydrophobicContact CB-CE2 4.06Å; F34-F82 HydrophobicContact CD1-CB 4.04Å; F34-F82 AromaticContact CD1-CD2 3.98Å; F34-F82 HydrophobicContact CD1-CD2 3.98Å; F34-F82 HydrophobicContact CD1-CG 4.47Å; F34-F82 HydrophobicContact CD2-CD2 4.21Å; F34-F82 HydrophobicContact CE1-CB 4.09Å; F34-F82 AromaticContact CG-CD2 3.71Å; F34-F82 HydrophobicContact CG-CD2 3.71Å; F34-F82 HydrophobicContact CG-CE2 4.49Å; F82-F85 HydrophobicContact CD2-CD1 4.39Å; F82-F85 HydrophobicContact CE2-CD1 4.43Å; F82-I86 HydrophobicContact CE1-CB 4.46Å; F82-I86 HydrophobicContact CE1-CG2 4.29Å; F82-I86 HydrophobicContact CE2-CB 4.36Å; F82-I86 HydrophobicContact CZ-CB 4.16Å; F82-I86 HydrophobicContact CZ-CD1 4.48Å; F82-I86 HydrophobicContact CZ-CG1 4.23Å; F82-I86 HydrophobicContact CZ-CG2 4.48Å; F82-I86 WeakPolarHBondContact O-CB 3.25Å; F82-I86 VanDerWaalsContact O-CG2 3.3Å; F82-I86 WeakPolarHBondContact O-CG2 3.24Å; F82-I86 PolarHBondContact O-N 2.98Å
83R92.6Very high90.3Very high87 Ų8739 Ų3933%0.32823%0.233SC..Hα-helixtrans-66.9-46.2-179.1173.8179.6-166.4-76.2-4.2110D15 L16 D81 I86 I87D15-R83 IonicContact OD1-CZ 2.64Å; D15-R83 IonicContact OD1-NE 3.77Å; D15-R83 IonicContact OD1-NH2 2.85Å; D15-R83 PolarHBondContact OD1-NH2 3.49Å; D15-R83 IonicContact OD2-CZ 2.9Å; D15-R83 IonicContact OD2-NE 3.5Å; D15-R83 PolarHBondContact OD2-NE 2.98Å; D15-R83 IonicContact OD2-NH2 2.64Å; L16-R83 HydrophobicContact CD2-CB 4.03Å; L16-R83 HydrophobicContact CD2-CG 3.74Å; D81-R83 VanDerWaalsContact C-N 3.27Å; D81-R83 PolarHBondContact O-N 3.39Å; D81-R83 VanDerWaalsContact OD1-CA 3.31Å; D81-R83 WeakPolarHBondContact OD1-CA 3.5Å; D81-R83 VanDerWaalsContact OD1-CB 3.24Å; D81-R83 WeakPolarHBondContact OD1-CB 3.48Å; D81-R83 PolarHBondContact OD1-N 2.68Å; R83-I86 WeakPolarHBondContact O-CG2 3.43Å; R83-I86 PolarHBondContact O-N 2.77Å; R83-I87 HydrophobicContact CG-CD1 3.71Å; R83-I87 WeakPolarHBondContact O-CB 3.44Å; R83-I87 VanDerWaalsContact O-CG1 3.22Å; R83-I87 WeakPolarHBondContact O-CG1 3.47Å; R83-I87 PolarHBondContact O-N 2.94Å
84E93.1Very high90Very high7 Ų742.4 Ų42.43%0.03324%0.244CC..Hα-helixtrans-61-47.8176.1-74.2178.6140.300111.9F72 T74 N75 I80 D81 I86 A88F72-E84 VanDerWaalsContact O-CB 3.32Å; F72-E84 WeakPolarHBondContact O-CB 3.49Å; T74-E84 PolarHBondContact N-OE1 3.3Å; T74-E84 PolarHBondContact OG1-OE1 3.09Å; N75-E84 PolarHBondContact N-OE1 2.94Å; N75-E84 VanDerWaalsContact N-OE1 3.11Å; I80-E84 WeakPolarHBondContact CA-OE2 3.34Å; I80-E84 HydrophobicContact CG2-CB 3.94Å; D81-E84 PolarHBondContact N-OE2 2.9Å; D81-E84 PolarHBondContact O-N 2.83Å; D81-E84 PolarHBondContact OD1-N 3.34Å; E84-I86 PolarHBondContact O-N 3.1Å; E84-A88 WeakPolarHBondContact O-CB 3.39Å; E84-A88 PolarHBondContact O-N 3.19Å
85F91.6Very high89.8Confident37 Ų3737.4 Ų37.416%0.16221%0.214CC..Hα-helixtrans-56.2-50.6176.1172.4-101.4000112.3W30 F34 F72 I80 D81 F82 A88 L89W30-F85 AromaticContact CE3-CE1 3.77Å; W30-F85 HydrophobicContact CE3-CE1 3.77Å; W30-F85 HydrophobicContact CE3-CZ 4.15Å; W30-F85 HydrophobicContact CZ3-CE1 4.03Å; W30-F85 AromaticContact CZ3-CZ 3.91Å; W30-F85 HydrophobicContact CZ3-CZ 3.91Å; F34-F85 HydrophobicContact CD2-CB 4.4Å; F34-F85 AromaticContact CD2-CD1 3.87Å; F34-F85 HydrophobicContact CD2-CD1 3.87Å; F34-F85 HydrophobicContact CD2-CE1 4.3Å; F34-F85 HydrophobicContact CD2-CG 4.01Å; F34-F85 HydrophobicContact CE2-CB 3.95Å; F34-F85 HydrophobicContact CE2-CD1 4.25Å; F34-F85 HydrophobicContact CE2-CD2 4.39Å; F34-F85 AromaticContact CE2-CG 3.93Å; F34-F85 HydrophobicContact CE2-CG 3.93Å; F72-F85 HydrophobicContact CE2-CD2 4.45Å; I80-F85 HydrophobicContact CG2-CB 3.8Å; D81-F85 WeakPolarHBondContact O-CB 3.39Å; D81-F85 PolarHBondContact O-N 2.96Å; F82-F85 HydrophobicContact CD2-CD1 4.39Å; F82-F85 HydrophobicContact CE2-CD1 4.43Å; F85-A88 PolarHBondContact O-N 3.04Å; F85-L89 HydrophobicContact CE1-CD2 4.2Å; F85-L89 HydrophobicContact CZ-CD2 4.19Å; F85-L89 VanDerWaalsContact O-CB 3.31Å; F85-L89 WeakPolarHBondContact O-CB 3.23Å; F85-L89 PolarHBondContact O-N 3.27Å
86I91.2Very high89.7Confident0 Ų034.9 Ų34.90%021%0.209CC..Hα-helixtrans-74.6-32.1-172.8-160.461.9000112.5L16 T20 F22 L27 W30 F82 R83 E84 L89 S90L16-I86 HydrophobicContact CD1-CG2 4.27Å; L16-I86 HydrophobicContact CD2-CG2 3.62Å; L16-I86 HydrophobicContact CG-CG2 4.46Å; T20-I86 HydrophobicContact CG2-CG2 4.25Å; F22-I86 HydrophobicContact CD2-CD1 3.83Å; F22-I86 HydrophobicContact CD2-CG1 3.89Å; F22-I86 HydrophobicContact CE2-CD1 3.66Å; F22-I86 HydrophobicContact CE2-CG1 4.07Å; F22-I86 HydrophobicContact CZ-CD1 4.27Å; L27-I86 HydrophobicContact CD2-CD1 4.49Å; L27-I86 HydrophobicContact CD2-CG1 3.69Å; W30-I86 HydrophobicContact CB-CD1 3.87Å; W30-I86 HydrophobicContact CD2-CD1 4.28Å; W30-I86 HydrophobicContact CG-CD1 3.74Å; F82-I86 HydrophobicContact CE1-CB 4.46Å; F82-I86 HydrophobicContact CE1-CG2 4.29Å; F82-I86 HydrophobicContact CE2-CB 4.36Å; F82-I86 HydrophobicContact CZ-CB 4.16Å; F82-I86 HydrophobicContact CZ-CD1 4.48Å; F82-I86 HydrophobicContact CZ-CG1 4.23Å; F82-I86 HydrophobicContact CZ-CG2 4.48Å; F82-I86 WeakPolarHBondContact O-CB 3.25Å; F82-I86 VanDerWaalsContact O-CG2 3.3Å; F82-I86 WeakPolarHBondContact O-CG2 3.24Å; F82-I86 PolarHBondContact O-N 2.98Å; R83-I86 WeakPolarHBondContact O-CG2 3.43Å; R83-I86 PolarHBondContact O-N 2.77Å; E84-I86 PolarHBondContact O-N 3.1Å; I86-L89 HydrophobicContact CD1-CD2 4.17Å; I86-S90 WeakPolarHBondContact O-CB 3.27Å; I86-S90 PolarHBondContact O-N 3.29Å
87I90.9Very high89.6Confident40 Ų4033.8 Ų33.821%0.20519%0.188CC..Hα-helixtrans-65.5-49.1172.9-71171.1000110N19 T20 R83 L89 S90 V91N19-I87 HydrophobicContact CB-CD1 4.14Å; N19-I87 HydrophobicContact CB-CG1 4.28Å; T20-I87 HydrophobicContact CG2-CG1 3.91Å; R83-I87 HydrophobicContact CG-CD1 3.71Å; R83-I87 WeakPolarHBondContact O-CB 3.44Å; R83-I87 VanDerWaalsContact O-CG1 3.22Å; R83-I87 WeakPolarHBondContact O-CG1 3.47Å; R83-I87 PolarHBondContact O-N 2.94Å; I87-L89 VanDerWaalsContact C-N 3.31Å; I87-L89 PolarHBondContact O-N 3.14Å; I87-S90 WeakPolarHBondContact O-CB 3.31Å; I87-S90 PolarHBondContact O-N 3.4Å; I87-S90 VanDerWaalsContact O-N 3.14Å; I87-V91 WeakPolarHBondContact O-CG2 3.48Å; I87-V91 PolarHBondContact O-N 2.7Å
88A88.8Confident89.4Confident8 Ų834.4 Ų34.47%0.06619%0.188CC..Hα-helixtrans-62.3-39.8178.300000111.8F72 E84 F85 V91 T92F72-A88 HydrophobicContact CB-CB 4.43Å; F72-A88 HydrophobicContact CD1-CB 3.64Å; F72-A88 HydrophobicContact CD2-CB 3.45Å; F72-A88 VanDerWaalsContact CD2-CB 3.45Å; F72-A88 HydrophobicContact CE1-CB 3.61Å; F72-A88 HydrophobicContact CE2-CB 3.43Å; F72-A88 VanDerWaalsContact CE2-CB 3.43Å; F72-A88 HydrophobicContact CG-CB 3.56Å; F72-A88 HydrophobicContact CZ-CB 3.51Å; E84-A88 WeakPolarHBondContact O-CB 3.39Å; E84-A88 PolarHBondContact O-N 3.19Å; F85-A88 PolarHBondContact O-N 3.04Å; A88-V91 PolarHBondContact O-N 2.65Å; A88-T92 WeakPolarHBondContact O-CB 3.19Å; A88-T92 WeakPolarHBondContact O-CG2 3.42Å; A88-T92 PolarHBondContact O-N 3.18Å; A88-T92 PolarHBondContact O-OG1 2.81Å
89L88.2Confident89.2Confident36 Ų3636.2 Ų36.219%0.18819%0.187CC..Hα-helixtrans-63.8-41174-174.763.7000111.8F22 W30 F85 I86 I87 V91 T92 S93F22-L89 HydrophobicContact CE2-CG 4.44Å; F22-L89 HydrophobicContact CZ-CD2 4.08Å; F22-L89 HydrophobicContact CZ-CG 4.12Å; W30-L89 HydrophobicContact CD2-CD2 4.05Å; W30-L89 HydrophobicContact CE3-CD2 4.18Å; W30-L89 HydrophobicContact CH2-CD2 3.65Å; W30-L89 HydrophobicContact CZ2-CD2 3.49Å; W30-L89 VanDerWaalsContact CZ2-CD2 3.49Å; W30-L89 HydrophobicContact CZ3-CD2 3.99Å; F85-L89 HydrophobicContact CE1-CD2 4.2Å; F85-L89 HydrophobicContact CZ-CD2 4.19Å; F85-L89 VanDerWaalsContact O-CB 3.31Å; F85-L89 WeakPolarHBondContact O-CB 3.23Å; F85-L89 PolarHBondContact O-N 3.27Å; I86-L89 HydrophobicContact CD1-CD2 4.17Å; I87-L89 VanDerWaalsContact C-N 3.31Å; I87-L89 PolarHBondContact O-N 3.14Å; L89-V91 PolarHBondContact O-N 2.99Å; L89-T92 WeakPolarHBondContact CA-OG1 3.43Å; L89-T92 PolarHBondContact O-N 2.92Å; L89-T92 PolarHBondContact O-OG1 3.24Å; L89-S93 VanDerWaalsContact O-CB 3.27Å; L89-S93 WeakPolarHBondContact O-CB 3.24Å; L89-S93 PolarHBondContact O-N 3.48Å; L89-S93 PolarHBondContact O-OG 2.61Å
90S89.1Confident89Confident6 Ų635.4 Ų35.44%0.04218%0.181CC..Hα-helixtrans-60-46.4176.3-175.30000111.4T20 E21 I86 I87 R94 G95T20-S90 WeakPolarHBondContact CA-OG 3.24Å; E21-S90 PolarHBondContact N-OG 2.98Å; I86-S90 WeakPolarHBondContact O-CB 3.27Å; I86-S90 PolarHBondContact O-N 3.29Å; I87-S90 WeakPolarHBondContact O-CB 3.31Å; I87-S90 PolarHBondContact O-N 3.4Å; I87-S90 VanDerWaalsContact O-N 3.14Å; S90-R94 CarbonylContact O-C 3.6Å; S90-R94 WeakPolarHBondContact O-CA 3.45Å; S90-R94 WeakPolarHBondContact O-CB 3.38Å; S90-R94 PolarHBondContact O-N 2.91Å; S90-G95 PolarHBondContact O-N 2.8Å
91V87.4Confident88.8Confident33 Ų3335.5 Ų35.520%0.218%0.181CC..Hα-helixtrans-64.7-46.7179.2172.90000111.6I87 A88 L89 G95 Q99 K100 W103I87-V91 WeakPolarHBondContact O-CG2 3.48Å; I87-V91 PolarHBondContact O-N 2.7Å; A88-V91 PolarHBondContact O-N 2.65Å; L89-V91 PolarHBondContact O-N 2.99Å; V91-G95 VanDerWaalsContact O-CA 3.23Å; V91-G95 WeakPolarHBondContact O-CA 3.49Å; V91-G95 PolarHBondContact O-N 3.21Å; V91-G95 VanDerWaalsContact O-N 3.14Å; V91-Q99 HydrophobicContact CG1-CB 4.28Å; V91-K100 WeakPolarHBondContact O-CG 3.48Å; V91-W103 HydrophobicContact CG1-CB 3.89Å; V91-W103 HydrophobicContact CG1-CG 4.28Å
92T83.3Confident88.7Confident35 Ų3538.9 Ų38.922%0.21519%0.191CC..Hα-helixtrans-71.7-38.4-175.851.10000112.7A88 L89 K100 W103A88-T92 WeakPolarHBondContact O-CB 3.19Å; A88-T92 WeakPolarHBondContact O-CG2 3.42Å; A88-T92 PolarHBondContact O-N 3.18Å; A88-T92 PolarHBondContact O-OG1 2.81Å; L89-T92 WeakPolarHBondContact CA-OG1 3.43Å; L89-T92 PolarHBondContact O-N 2.92Å; L89-T92 PolarHBondContact O-OG1 3.24Å; T92-K100 WeakPolarHBondContact O-CE 3.47Å; T92-K100 PolarHBondContact O-NZ 3.17Å; T92-W103 HydrophobicContact CG2-CD2 4.02Å; T92-W103 HydrophobicContact CG2-CE3 3.92Å; T92-W103 HydrophobicContact CG2-CH2 3.94Å; T92-W103 HydrophobicContact CG2-CZ2 4.11Å; T92-W103 HydrophobicContact CG2-CZ3 3.86Å
93S83.2Confident88.6Confident31 Ų3140.9 Ų40.922%0.21720%0.198CC..Hα-helixtrans-88.2-48.2-177.766.40000114L89L89-S93 VanDerWaalsContact O-CB 3.27Å; L89-S93 WeakPolarHBondContact O-CB 3.24Å; L89-S93 PolarHBondContact O-N 3.48Å; L89-S93 PolarHBondContact O-OG 2.61Å
94R85.6Confident88.4Confident95 Ų9537.6 Ų37.636%0.35819%0.189SC..Hα-helixtrans-108.7-14.6-172-63.6178.1-174.7-163.5-2.1113.6E21 F22 E26 S90E21-R94 HydrophobicContact CB-CB 3.89Å; E21-R94 HydrophobicContact CB-CG 4.43Å; E21-R94 HydrophobicContact CG-CB 4.29Å; E21-R94 PolarHBondContact O-NH1 3.12Å; F22-R94 VanDerWaalsContact CE1-NH2 3.3Å; E26-R94 IonicContact OE1-CZ 3.15Å; E26-R94 IonicContact OE1-NH1 3.31Å; E26-R94 PolarHBondContact OE1-NH1 3.44Å; E26-R94 IonicContact OE1-NH2 2.71Å; E26-R94 PolarHBondContact OE1-NH2 2.81Å; E26-R94 IonicContact OE2-CZ 3.43Å; E26-R94 IonicContact OE2-NH1 3.47Å; E26-R94 PolarHBondContact OE2-NH1 2.68Å; E26-R94 IonicContact OE2-NH2 3.97Å; S90-R94 CarbonylContact O-C 3.6Å; S90-R94 WeakPolarHBondContact O-CA 3.45Å; S90-R94 WeakPolarHBondContact O-CB 3.38Å; S90-R94 PolarHBondContact O-N 2.91Å
95G84.1Confident88.4Confident1 Ų137.8 Ų37.81%0.0119%0.19CC..  trans-60.5149.2-177.100000113.3S90 V91 Q99 K100S90-G95 PolarHBondContact O-N 2.8Å; V91-G95 VanDerWaalsContact O-CA 3.23Å; V91-G95 WeakPolarHBondContact O-CA 3.49Å; V91-G95 PolarHBondContact O-N 3.21Å; V91-G95 VanDerWaalsContact O-N 3.14Å; G95-Q99 VanDerWaalsContact CA-OE1 3.23Å; G95-K100 WeakPolarHBondContact O-CE 2.98Å
96G88.3Confident88.4Confident35 Ų3538.4 Ų38.436%0.36120%0.199SC..  trans-65.5162.8171.700000111.7E98 Q99 K100G96-E98 PolarHBondContact O-N 3.42Å; G96-E98 VanDerWaalsContact O-N 3.13Å; G96-Q99 PolarHBondContact O-N 2.85Å; G96-Q99 VanDerWaalsContact O-N 3.08Å; G96-K100 PolarHBondContact O-N 3.18Å
97L86.4Confident88.3Confident38 Ų3839 Ų3920%0.19920%0.202CC..Hα-helixtrans-50.5-42.4178.817663.4000112.3K100 L101 K174 V180 L183 Q184L97-K100 PolarHBondContact O-N 3.35Å; L97-L101 HydrophobicContact CD1-CD1 4.11Å; L97-L101 HydrophobicContact CD1-CG 4.19Å; L97-L101 HydrophobicContact CG-CD1 3.99Å; L97-L101 HydrophobicContact CG-CG 4.46Å; L97-L101 VanDerWaalsContact O-CG 3.27Å; L97-L101 WeakPolarHBondContact O-CG 3.31Å; L97-L101 PolarHBondContact O-N 2.83Å; L97-K174 HydrophobicContact CD2-CG 4.3Å; L97-V180 HydrophobicContact CD2-CG1 4.3Å; L97-L183 HydrophobicContact CD1-CB 3.97Å; L97-L183 HydrophobicContact CD1-CD1 4.15Å; L97-Q184 HydrophobicContact CD1-CG 4.39Å
98E88.1Confident88.4Confident86 Ų8639 Ų3940%0.40220%0.199SC..Hα-helixtrans-68.3-39.9-178.7-169170.8148.300113.2G96 K100 L101 R102 K174G96-E98 PolarHBondContact O-N 3.42Å; G96-E98 VanDerWaalsContact O-N 3.13Å; E98-K100 VanDerWaalsContact C-N 3.35Å; E98-L101 PolarHBondContact O-N 3.03Å; E98-R102 WeakPolarHBondContact O-CG 3.47Å; E98-R102 PolarHBondContact O-N 3.3Å; E98-R102 IonicContact OE1-CZ 3.98Å; E98-R102 IonicContact OE1-NE 2.76Å; E98-R102 PolarHBondContact OE1-NE 2.64Å; E98-R102 IonicContact OE1-NH2 3.06Å; E98-R102 PolarHBondContact OE1-NH2 3.48Å; E98-K174 IonicContact OE2-NZ 2.69Å
99Q88.1Confident88.6Confident98 Ų9839.3 Ų39.346%0.45820%0.2SC..Hα-helixtrans-63.4-43.3174.8-72169.9-30.700110.8V91 G95 G96 L101 R102 W103V91-Q99 HydrophobicContact CG1-CB 4.28Å; G95-Q99 VanDerWaalsContact CA-OE1 3.23Å; G96-Q99 PolarHBondContact O-N 2.85Å; G96-Q99 VanDerWaalsContact O-N 3.08Å; Q99-L101 VanDerWaalsContact C-N 3.33Å; Q99-L101 PolarHBondContact O-N 2.9Å; Q99-R102 PolarHBondContact O-N 3.35Å; Q99-W103 WeakPolarHBondContact O-CB 3.31Å; Q99-W103 PolarHBondContact O-N 3.38Å
100K89.2Confident88.7Confident12 Ų1240 Ų405%0.05220%0.204CC..Hα-helixtrans-61.1-40.6175.5-65.9-172.4-174.4-156.20112.2V91 T92 G95 G96 L97 E98 W103 A104 L183V91-K100 WeakPolarHBondContact O-CG 3.48Å; T92-K100 WeakPolarHBondContact O-CE 3.47Å; T92-K100 PolarHBondContact O-NZ 3.17Å; G95-K100 WeakPolarHBondContact O-CE 2.98Å; G96-K100 PolarHBondContact O-N 3.18Å; L97-K100 PolarHBondContact O-N 3.35Å; E98-K100 VanDerWaalsContact C-N 3.35Å; K100-W103 PolarHBondContact O-N 3.19Å; K100-A104 WeakPolarHBondContact O-CB 3.44Å; K100-A104 PolarHBondContact O-N 3.48Å; K100-L183 WeakPolarHBondContact CD-O 3.35Å; K100-L183 PolarHBondContact NZ-O 2.71Å; K100-L183 VanDerWaalsContact NZ-O 3.16Å
101L90.4Very high88.8Confident2 Ų244.8 Ų44.81%0.0123%0.229CC..Hα-helixtrans-68.8-38176.9-72.3172.5000112.7L97 E98 Q99 A104 F105 F169 I170 A173 K174 L183L97-L101 HydrophobicContact CD1-CD1 4.11Å; L97-L101 HydrophobicContact CD1-CG 4.19Å; L97-L101 HydrophobicContact CG-CD1 3.99Å; L97-L101 HydrophobicContact CG-CG 4.46Å; L97-L101 VanDerWaalsContact O-CG 3.27Å; L97-L101 WeakPolarHBondContact O-CG 3.31Å; L97-L101 PolarHBondContact O-N 2.83Å; E98-L101 PolarHBondContact O-N 3.03Å; Q99-L101 VanDerWaalsContact C-N 3.33Å; Q99-L101 PolarHBondContact O-N 2.9Å; L101-A104 PolarHBondContact O-N 3.03Å; L101-F105 WeakPolarHBondContact O-CB 3.45Å; L101-F105 PolarHBondContact O-N 3.49Å; L101-F169 HydrophobicContact CD2-CE1 4.44Å; L101-I170 HydrophobicContact CB-CG1 4.14Å; L101-I170 HydrophobicContact CD1-CG2 4.22Å; L101-A173 HydrophobicContact CD1-CB 4.44Å; L101-A173 HydrophobicContact CD2-CB 3.46Å; L101-A173 VanDerWaalsContact CD2-CB 3.46Å; L101-K174 HydrophobicContact CD1-CD 4.46Å; L101-K174 HydrophobicContact CD1-CG 3.84Å; L101-L183 HydrophobicContact CD2-CD1 3.47Å; L101-L183 VanDerWaalsContact CD2-CD1 3.47Å; L101-L183 HydrophobicContact CG-CD1 4.13Å
102R91.5Very high89Confident117 Ų11746.1 Ų46.144%0.44225%0.25SC..Hα-helixtrans-64.7-41.9174.2-72.4174.5-174.8-81.5-3.4111.6E98 Q99 F105 S106 L166 I170E98-R102 WeakPolarHBondContact O-CG 3.47Å; E98-R102 PolarHBondContact O-N 3.3Å; E98-R102 IonicContact OE1-CZ 3.98Å; E98-R102 IonicContact OE1-NE 2.76Å; E98-R102 PolarHBondContact OE1-NE 2.64Å; E98-R102 IonicContact OE1-NH2 3.06Å; E98-R102 PolarHBondContact OE1-NH2 3.48Å; Q99-R102 PolarHBondContact O-N 3.35Å; R102-F105 WeakPolarHBondContact O-CB 3.5Å; R102-F105 PolarHBondContact O-N 3.15Å; R102-S106 PolarHBondContact O-N 2.91Å; R102-S106 VanDerWaalsContact O-N 3.09Å; R102-L166 HydrophobicContact CG-CD1 4.27Å; R102-L166 HydrophobicContact CG-CD2 4.44Å; R102-L166 VanDerWaalsContact NH1-CD2 3.26Å; R102-I170 HydrophobicContact CG-CD1 4.12Å
103W89.3Confident89.5Confident54 Ų5448.4 Ų48.421%0.20526%0.26CS..Hα-helixtrans-66.3-39.6174.2179.179.1000112.3V68 T71 F72 V91 T92 Q99 K100 F105 S106 M107V68-W103 HydrophobicContact CG1-CH2 4.46Å; V68-W103 HydrophobicContact CG1-CZ2 4.24Å; T71-W103 VanDerWaalsContact OG1-CZ2 3.24Å; T71-W103 WeakPolarHBondContact OG1-CZ2 3.5Å; T71-W103 PolarHBondContact OG1-NE1 3.35Å; F72-W103 HydrophobicContact CD1-CZ2 4.24Å; F72-W103 AromaticContact CE1-CZ2 3.66Å; F72-W103 HydrophobicContact CE1-CZ2 3.66Å; V91-W103 HydrophobicContact CG1-CB 3.89Å; V91-W103 HydrophobicContact CG1-CG 4.28Å; T92-W103 HydrophobicContact CG2-CD2 4.02Å; T92-W103 HydrophobicContact CG2-CE3 3.92Å; T92-W103 HydrophobicContact CG2-CH2 3.94Å; T92-W103 HydrophobicContact CG2-CZ2 4.11Å; T92-W103 HydrophobicContact CG2-CZ3 3.86Å; Q99-W103 WeakPolarHBondContact O-CB 3.31Å; Q99-W103 PolarHBondContact O-N 3.38Å; K100-W103 PolarHBondContact O-N 3.19Å; W103-F105 VanDerWaalsContact C-N 3.31Å; W103-F105 PolarHBondContact O-N 3.42Å; W103-S106 PolarHBondContact O-N 3.45Å; W103-S106 PolarHBondContact O-OG 3.14Å; W103-M107 HydrophobicContact CE3-CE 4.4Å; W103-M107 HydrophobicContact CH2-CE 3.08Å; W103-M107 HydrophobicContact CZ2-CE 3.55Å; W103-M107 HydrophobicContact CZ3-CE 3.57Å; W103-M107 PolarHBondContact O-N 3.01Å
104A89.5Confident90Very high18 Ų1848.6 Ų48.615%0.14927%0.267CS..Hα-helixtrans-61.2-42.3172.400000111.1K100 L101 S106 M107 Y108 F169K100-A104 WeakPolarHBondContact O-CB 3.44Å; K100-A104 PolarHBondContact O-N 3.48Å; L101-A104 PolarHBondContact O-N 3.03Å; A104-S106 PolarHBondContact O-N 3.48Å; A104-M107 VanDerWaalsContact O-CB 3.23Å; A104-M107 WeakPolarHBondContact O-CB 3.33Å; A104-M107 PolarHBondContact O-N 3.02Å; A104-Y108 VanDerWaalsContact O-CD2 3.23Å; A104-Y108 WeakPolarHBondContact O-CD2 2.95Å; A104-Y108 PolarHBondContact O-N 2.93Å; A104-F169 HydrophobicContact CB-CE1 4.21Å; A104-F169 HydrophobicContact CB-CZ 4.27Å
105F92.2Very high90.5Very high12 Ų1248 Ų485%0.05327%0.266CS..Hα-helixtrans-57.1-46.6175.4-176.9-86.7000111.9L101 R102 W103 M107 Y108 D109 G114 I116 L166 F169L101-F105 WeakPolarHBondContact O-CB 3.45Å; L101-F105 PolarHBondContact O-N 3.49Å; R102-F105 WeakPolarHBondContact O-CB 3.5Å; R102-F105 PolarHBondContact O-N 3.15Å; W103-F105 VanDerWaalsContact C-N 3.31Å; W103-F105 PolarHBondContact O-N 3.42Å; F105-M107 PolarHBondContact O-N 3.28Å; F105-Y108 PolarHBondContact O-N 2.73Å; F105-D109 HydrophobicContact CD1-CB 4.27Å; F105-D109 HydrophobicContact CE1-CB 3.92Å; F105-D109 PolarHBondContact O-N 2.91Å; F105-G114 WeakPolarHBondContact CZ-O 3.25Å; F105-I116 HydrophobicContact CD2-CD1 3.36Å; F105-I116 HydrophobicContact CD2-CG1 3.98Å; F105-I116 HydrophobicContact CE2-CD1 3.4Å; F105-I116 VanDerWaalsContact CE2-CD1 3.4Å; F105-I116 HydrophobicContact CE2-CG1 3.59Å; F105-I116 HydrophobicContact CG-CD1 4.13Å; F105-I116 HydrophobicContact CZ-CD1 4.19Å; F105-I116 HydrophobicContact CZ-CG1 3.89Å; F105-L166 HydrophobicContact CB-CD1 3.55Å; F105-L166 HydrophobicContact CD1-CD1 3.86Å; F105-L166 HydrophobicContact CD2-CB 4.28Å; F105-L166 HydrophobicContact CD2-CD1 3.71Å; F105-L166 HydrophobicContact CE1-CB 4.36Å; F105-L166 VanDerWaalsContact CE2-CA 3.46Å; F105-L166 HydrophobicContact CE2-CB 4.09Å; F105-L166 HydrophobicContact CE2-CD1 4.37Å; F105-L166 HydrophobicContact CG-CB 4.5Å; F105-L166 HydrophobicContact CG-CD1 3.41Å; F105-L166 VanDerWaalsContact CG-CD1 3.41Å; F105-L166 HydrophobicContact CZ-CB 4.14Å; F105-F169 HydrophobicContact CB-CD1 3.97Å; F105-F169 HydrophobicContact CB-CE1 4.13Å; F105-F169 HydrophobicContact CD2-CB 3.67Å; F105-F169 AromaticContact CD2-CD1 3.92Å; F105-F169 HydrophobicContact CD2-CD1 3.92Å; F105-F169 HydrophobicContact CD2-CD2 4.42Å; F105-F169 AromaticContact CD2-CG 3.75Å; F105-F169 HydrophobicContact CD2-CG 3.75Å; F105-F169 HydrophobicContact CE2-CB 4.09Å; F105-F169 HydrophobicContact CG-CD1 4.47Å
106S90.7Very high91.1Very high50 Ų5048 Ų4835%0.3527%0.265SS..Hα-helixtrans-65.9-17.7177.462.50000113.9R102 W103 A104R102-S106 PolarHBondContact O-N 2.91Å; R102-S106 VanDerWaalsContact O-N 3.09Å; W103-S106 PolarHBondContact O-N 3.45Å; W103-S106 PolarHBondContact O-OG 3.14Å; A104-S106 PolarHBondContact O-N 3.48Å
107M90.3Very high91.5Very high12 Ų1248.2 Ų48.26%0.05926%0.261CS..Hα-helixtrans-72.8-37.9169.8-168.3-178.5-66.200111.8F64 H67 V68 R70 T71 W103 A104 F105F64-M107 HydrophobicContact CE2-SD 3.94Å; F64-M107 HydrophobicContact CZ-SD 4.12Å; H67-M107 HydrophobicContact CB-CG 4.37Å; V68-M107 HydrophobicContact CB-CE 4.46Å; V68-M107 HydrophobicContact CG2-CE 3.74Å; V68-M107 HydrophobicContact CG2-SD 4.35Å; R70-M107 PolarHBondContact NH2-O 2.84Å; T71-M107 HydrophobicContact CG2-CB 3.76Å; T71-M107 HydrophobicContact CG2-CG 4.13Å; W103-M107 HydrophobicContact CE3-CE 4.4Å; W103-M107 HydrophobicContact CH2-CE 3.08Å; W103-M107 HydrophobicContact CZ2-CE 3.55Å; W103-M107 HydrophobicContact CZ3-CE 3.57Å; W103-M107 PolarHBondContact O-N 3.01Å; A104-M107 VanDerWaalsContact O-CB 3.23Å; A104-M107 WeakPolarHBondContact O-CB 3.33Å; A104-M107 PolarHBondContact O-N 3.02Å; F105-M107 PolarHBondContact O-N 3.28Å
108Y91.9Very high91.9Very high39 Ų3951.3 Ų51.315%0.15327%0.27CS..Hα-helixtrans-80.3-38.7179.9-76.4-80.1000113.1A104 F105 L110 I116 E120 M121 I124 F169A104-Y108 VanDerWaalsContact O-CD2 3.23Å; A104-Y108 WeakPolarHBondContact O-CD2 2.95Å; A104-Y108 PolarHBondContact O-N 2.93Å; F105-Y108 PolarHBondContact O-N 2.73Å; Y108-L110 WeakPolarHBondContact O-CD2 3.24Å; Y108-L110 PolarHBondContact O-N 2.94Å; Y108-L110 VanDerWaalsContact O-N 3.1Å; Y108-I116 VanDerWaalsContact CB-CD1 3.44Å; Y108-I116 HydrophobicContact CG-CD1 4.25Å; Y108-E120 WeakPolarHBondContact O-CB 3.27Å; Y108-M121 HydrophobicContact CD1-CE 4.1Å; Y108-M121 HydrophobicContact CD1-SD 3.57Å; Y108-M121 VanDerWaalsContact CD1-SD 3.57Å; Y108-M121 HydrophobicContact CE1-CE 4.32Å; Y108-M121 HydrophobicContact CE1-SD 3.35Å; Y108-M121 WeakPolarHBondContact CE1-SD 3.28Å; Y108-M121 HydrophobicContact CG-SD 4.5Å; Y108-I124 HydrophobicContact CD1-CB 3.65Å; Y108-I124 HydrophobicContact CD1-CG1 3.76Å; Y108-I124 HydrophobicContact CD1-CG2 3.81Å; Y108-I124 HydrophobicContact CE1-CB 3.55Å; Y108-I124 HydrophobicContact CE1-CG1 4.18Å; Y108-I124 HydrophobicContact CE1-CG2 3.35Å; Y108-I124 HydrophobicContact CG-CG1 4.4Å; Y108-F169 HydrophobicContact CD2-CE2 4.04Å; Y108-F169 HydrophobicContact CD2-CZ 4.04Å; Y108-F169 HydrophobicContact CE2-CE2 4.25Å; Y108-F169 HydrophobicContact CE2-CZ 4.17Å
109D93.9Very high92.3Very high16 Ų1650.7 Ų50.79%0.08628%0.28CS..  trans-71.798.1174.9-178.21.4000109.2F105 G112 N113 G114 I116F105-D109 HydrophobicContact CD1-CB 4.27Å; F105-D109 HydrophobicContact CE1-CB 3.92Å; F105-D109 PolarHBondContact O-N 2.91Å; D109-G112 VanDerWaalsContact OD1-CA 3.23Å; D109-G112 WeakPolarHBondContact OD1-CA 3.35Å; D109-G112 PolarHBondContact OD1-N 3.28Å; D109-G112 WeakPolarHBondContact OD2-CA 3.04Å; D109-N113 PolarHBondContact OD1-N 2.96Å; D109-G114 VanDerWaalsContact OD2-CA 3.3Å; D109-G114 WeakPolarHBondContact OD2-CA 3.42Å; D109-G114 PolarHBondContact OD2-N 3.08Å; D109-I116 HydrophobicContact CB-CG1 4.32Å
110L90.6Very high92.6Very high49 Ų4946.7 Ų46.726%0.25726%0.261SS..SBendtrans-82.8-32.8-169.7-53.9-170.9000112.2R70 Y108 E120 E123 I124R70-L110 VanDerWaalsContact NH1-CA 3.29Å; R70-L110 VanDerWaalsContact NH1-CB 3.29Å; R70-L110 VanDerWaalsContact NH1-CD2 3.28Å; R70-L110 PolarHBondContact NH1-O 3.3Å; Y108-L110 WeakPolarHBondContact O-CD2 3.24Å; Y108-L110 PolarHBondContact O-N 2.94Å; Y108-L110 VanDerWaalsContact O-N 3.1Å; L110-E120 WeakPolarHBondContact CA-OE1 3.32Å; L110-E120 HydrophobicContact CB-CG 3.96Å; L110-E120 WeakPolarHBondContact CB-OE1 3.37Å; L110-E120 HydrophobicContact CD1-CB 4.19Å; L110-E120 HydrophobicContact CD1-CG 3.94Å; L110-E120 HydrophobicContact CG-CB 3.84Å; L110-E120 HydrophobicContact CG-CG 3.66Å; L110-E120 PolarHBondContact N-OE1 3.37Å; L110-E123 HydrophobicContact CD1-CB 4.16Å; L110-E123 HydrophobicContact CD1-CG 4.1Å; L110-I124 HydrophobicContact CD2-CD1 3.7Å; L110-I124 HydrophobicContact CD2-CG1 4.04Å
111D91.5Very high92.8Very high107 Ų10746.2 Ų46.257%0.57226%0.259SS*.SBendtrans-95.9-8.2-179.572.46.9000113.4N113 E120D111-N113 VanDerWaalsContact C-N 3.32Å; D111-N113 WeakPolarHBondContact OD1-CB 3.28Å; D111-N113 PolarHBondContact OD1-N 3.5Å; D111-N113 PolarHBondContact OD1-ND2 2.93Å; D111-N113 PolarHBondContact OD2-ND2 3.31Å; D111-E120 PolarHBondContact N-OE1 3.28Å
112G90.8Very high92.9Very high62 Ų6248.2 Ų48.264%0.63927%0.269SS*.  trans73.822.3176.300000113.3D109 G114D109-G112 VanDerWaalsContact OD1-CA 3.23Å; D109-G112 WeakPolarHBondContact OD1-CA 3.35Å; D109-G112 PolarHBondContact OD1-N 3.28Å; D109-G112 WeakPolarHBondContact OD2-CA 3.04Å; G112-G114 PolarHBondContact O-N 3.13Å
113N93.3Very high92.9Very high82 Ų8245.4 Ų45.444%0.43926%0.261SS..SBendtrans-78.6-4.4-177.47535.6000113.4D109 D111 Y115D109-N113 PolarHBondContact OD1-N 2.96Å; D111-N113 VanDerWaalsContact C-N 3.32Å; D111-N113 WeakPolarHBondContact OD1-CB 3.28Å; D111-N113 PolarHBondContact OD1-N 3.5Å; D111-N113 PolarHBondContact OD1-ND2 2.93Å; D111-N113 PolarHBondContact OD2-ND2 3.31Å; N113-Y115 WeakPolarHBondContact OD1-CA 3.47Å; N113-Y115 VanDerWaalsContact OD1-CB 3.3Å; N113-Y115 WeakPolarHBondContact OD1-CB 3.46Å; N113-Y115 PolarHBondContact OD1-N 2.95Å; N113-Y115 PolarHBondContact OD1-O 3.42Å; N113-Y115 VanDerWaalsContact OD1-O 3.06Å
114G94.4Very high93Very high35 Ų3542.8 Ų42.836%0.36125%0.252SS..SBendtrans88.46.8-179.200000114.5F105 D109 G112F105-G114 WeakPolarHBondContact CZ-O 3.25Å; D109-G114 VanDerWaalsContact OD2-CA 3.3Å; D109-G114 WeakPolarHBondContact OD2-CA 3.42Å; D109-G114 PolarHBondContact OD2-N 3.08Å; G112-G114 PolarHBondContact O-N 3.13Å
115Y96.6Very high93Very high84 Ų8442.2 Ų42.233%0.32925%0.246SC..EExtended strand (participates in β ladder)trans-137.3143177.9-61.5-92.3000110.7N113 R163 L164N113-Y115 WeakPolarHBondContact OD1-CA 3.47Å; N113-Y115 VanDerWaalsContact OD1-CB 3.3Å; N113-Y115 WeakPolarHBondContact OD1-CB 3.46Å; N113-Y115 PolarHBondContact OD1-N 2.95Å; N113-Y115 PolarHBondContact OD1-O 3.42Å; N113-Y115 VanDerWaalsContact OD1-O 3.06Å; Y115-R163 HydrophobicContact CD1-CG 3.97Å; Y115-R163 HydrophobicContact CG-CG 4.37Å; Y115-L164 CarbonylContact C-O 3.49Å; Y115-L164 WeakPolarHBondContact CA-O 3.47Å
116I96.4Very high92.8Very high0 Ų044.4 Ų44.40%026%0.257CS..EExtended strand (participates in β ladder)trans-95.6114.2173.3-55.4160000108.9F105 Y108 D109 E120 M121 R163 L164 F169F105-I116 HydrophobicContact CD2-CD1 3.36Å; F105-I116 HydrophobicContact CD2-CG1 3.98Å; F105-I116 HydrophobicContact CE2-CD1 3.4Å; F105-I116 VanDerWaalsContact CE2-CD1 3.4Å; F105-I116 HydrophobicContact CE2-CG1 3.59Å; F105-I116 HydrophobicContact CG-CD1 4.13Å; F105-I116 HydrophobicContact CZ-CD1 4.19Å; F105-I116 HydrophobicContact CZ-CG1 3.89Å; Y108-I116 VanDerWaalsContact CB-CD1 3.44Å; Y108-I116 HydrophobicContact CG-CD1 4.25Å; D109-I116 HydrophobicContact CB-CG1 4.32Å; I116-E120 HydrophobicContact CG2-CB 4.26Å; I116-M121 HydrophobicContact CG2-CB 4.09Å; I116-M121 HydrophobicContact CG2-CE 3.97Å; I116-R163 CarbonylContact O-C 3.52Å; I116-R163 WeakPolarHBondContact O-CA 3.32Å; I116-L164 HydrophobicContact CB-CB 4.26Å; I116-L164 PolarHBondContact N-O 3.42Å; I116-L164 PolarHBondContact O-N 3.21Å; I116-F169 HydrophobicContact CD1-CD2 3.78Å; I116-F169 HydrophobicContact CD1-CE2 4.17Å; I116-F169 HydrophobicContact CD1-CG 4.26Å
117S96.5Very high92.7Very high39 Ų3942.1 Ų42.127%0.27324%0.24SC..EExtended strand (participates in β ladder)trans-77.1162.5171.171.60000112A119 E120 M121S117-A119 PolarHBondContact O-N 2.86Å; S117-E120 VanDerWaalsContact CB-OE2 3.24Å; S117-E120 WeakPolarHBondContact CB-OE2 3.13Å; S117-E120 PolarHBondContact N-OE2 2.86Å; S117-E120 PolarHBondContact O-N 3.03Å; S117-E120 VanDerWaalsContact OG-CD 3.31Å; S117-E120 WeakPolarHBondContact OG-CG 3.46Å; S117-E120 PolarHBondContact OG-N 2.85Å; S117-E120 PolarHBondContact OG-OE2 3.14Å; S117-M121 PolarHBondContact O-N 3Å
118R94.6Very high92.5Very high104 Ų10443.6 Ų43.639%0.39225%0.248SC..Hα-helixtrans-58-36.9174.8-76.6178.5171.3-97.31.1113.2L122 D150 F153R118-L122 WeakPolarHBondContact O-CB 3.4Å; R118-L122 PolarHBondContact O-N 3.46Å; R118-D150 IonicContact CZ-OD1 2.73Å; R118-D150 IonicContact NH1-OD1 2.71Å; R118-D150 PolarHBondContact NH1-OD1 3.34Å; R118-F153 HydrophobicContact CB-CE2 4.29Å; R118-F153 HydrophobicContact CB-CZ 4.2Å; R118-F153 HydrophobicContact CG-CD1 3.8Å; R118-F153 HydrophobicContact CG-CD2 3.9Å; R118-F153 HydrophobicContact CG-CE1 3.57Å; R118-F153 HydrophobicContact CG-CE2 3.68Å; R118-F153 HydrophobicContact CG-CG 3.96Å; R118-F153 HydrophobicContact CG-CZ 3.52Å
119A95.6Very high92Very high72 Ų7243.1 Ų43.160%0.59525%0.246SC*.Hα-helixtrans-66.6-42.8179.900000111.1S117 L122 E123S117-A119 PolarHBondContact O-N 2.86Å; A119-L122 PolarHBondContact O-N 3.02Å; A119-E123 PolarHBondContact O-N 3.48Å
120E95Very high91.5Very high14 Ų1447.3 Ų47.37%0.06526%0.264CS..Hα-helixtrans-66.7-44.5178.5-69.7172.212100112.3Y108 L110 D111 I116 S117 L122 E123 I124Y108-E120 WeakPolarHBondContact O-CB 3.27Å; L110-E120 WeakPolarHBondContact CA-OE1 3.32Å; L110-E120 HydrophobicContact CB-CG 3.96Å; L110-E120 WeakPolarHBondContact CB-OE1 3.37Å; L110-E120 HydrophobicContact CD1-CB 4.19Å; L110-E120 HydrophobicContact CD1-CG 3.94Å; L110-E120 HydrophobicContact CG-CB 3.84Å; L110-E120 HydrophobicContact CG-CG 3.66Å; L110-E120 PolarHBondContact N-OE1 3.37Å; D111-E120 PolarHBondContact N-OE1 3.28Å; I116-E120 HydrophobicContact CG2-CB 4.26Å; S117-E120 VanDerWaalsContact CB-OE2 3.24Å; S117-E120 WeakPolarHBondContact CB-OE2 3.13Å; S117-E120 PolarHBondContact N-OE2 2.86Å; S117-E120 PolarHBondContact O-N 3.03Å; S117-E120 VanDerWaalsContact OG-CD 3.31Å; S117-E120 WeakPolarHBondContact OG-CG 3.46Å; S117-E120 PolarHBondContact OG-N 2.85Å; S117-E120 PolarHBondContact OG-OE2 3.14Å; E120-L122 VanDerWaalsContact C-N 3.3Å; E120-L122 PolarHBondContact O-N 3.25Å; E120-E123 PolarHBondContact O-N 3.32Å; E120-I124 PolarHBondContact O-N 3.44Å
121M92.9Very high91Very high2 Ų245.6 Ų45.61%0.0126%0.255CS..Hα-helixtrans-56.4-46.8172.6-177.265.867.700111.3Y108 I116 S117 E123 I124 V125 T149 I152 F153 L164Y108-M121 HydrophobicContact CD1-CE 4.1Å; Y108-M121 HydrophobicContact CD1-SD 3.57Å; Y108-M121 VanDerWaalsContact CD1-SD 3.57Å; Y108-M121 HydrophobicContact CE1-CE 4.32Å; Y108-M121 HydrophobicContact CE1-SD 3.35Å; Y108-M121 WeakPolarHBondContact CE1-SD 3.28Å; Y108-M121 HydrophobicContact CG-SD 4.5Å; I116-M121 HydrophobicContact CG2-CB 4.09Å; I116-M121 HydrophobicContact CG2-CE 3.97Å; S117-M121 PolarHBondContact O-N 3Å; M121-E123 PolarHBondContact O-N 3.34Å; M121-I124 PolarHBondContact O-N 2.97Å; M121-V125 HydrophobicContact CG-CG2 4.3Å; M121-V125 WeakPolarHBondContact O-CB 3.1Å; M121-V125 WeakPolarHBondContact O-CG2 3.48Å; M121-V125 PolarHBondContact O-N 3.3Å; M121-V125 HydrophobicContact SD-CG2 4.18Å; M121-T149 HydrophobicContact CB-CG2 4.01Å; M121-T149 HydrophobicContact CG-CG2 3.73Å; M121-I152 HydrophobicContact CE-CG2 3.84Å; M121-I152 HydrophobicContact SD-CD1 3.99Å; M121-I152 HydrophobicContact SD-CG2 4.29Å; M121-F153 HydrophobicContact CB-CE2 3.71Å; M121-F153 HydrophobicContact CB-CZ 4.49Å; M121-F153 HydrophobicContact CE-CE2 4.43Å; M121-F153 HydrophobicContact CG-CD2 4.47Å; M121-F153 HydrophobicContact CG-CE2 3.92Å; M121-L164 HydrophobicContact CE-CD1 3.74Å
122L92.5Very high90.3Very high44 Ų4441.6 Ų41.623%0.2323%0.234CC..Hα-helixtrans-62.4-43.4-179.2-177.761.4000111.9R118 A119 E120 I124 V125 Q126 P145 E146 T149R118-L122 WeakPolarHBondContact O-CB 3.4Å; R118-L122 PolarHBondContact O-N 3.46Å; A119-L122 PolarHBondContact O-N 3.02Å; E120-L122 VanDerWaalsContact C-N 3.3Å; E120-L122 PolarHBondContact O-N 3.25Å; L122-I124 PolarHBondContact O-N 3.05Å; L122-V125 PolarHBondContact O-N 3.47Å; L122-Q126 HydrophobicContact CD1-CG 4.02Å; L122-Q126 HydrophobicContact CG-CG 4.24Å; L122-Q126 WeakPolarHBondContact O-CB 3.5Å; L122-Q126 VanDerWaalsContact O-CG 3.23Å; L122-Q126 WeakPolarHBondContact O-CG 3.23Å; L122-Q126 PolarHBondContact O-N 3.01Å; L122-P145 HydrophobicContact CD1-CB 3.78Å; L122-E146 HydrophobicContact CD1-CB 4.49Å; L122-E146 HydrophobicContact CD1-CG 4.02Å; L122-E146 HydrophobicContact CD2-CG 4.45Å; L122-T149 HydrophobicContact CB-CG2 4.37Å
123E93.2Very high89.2Confident58 Ų5842.6 Ų42.627%0.27123%0.231SC..Hα-helixtrans-57.4-47.9178.8-17671.6-172.300111.1K63 L110 A119 E120 M121 Q126 A127K63-E123 IonicContact NZ-OE1 2.8Å; K63-E123 PolarHBondContact NZ-OE1 3.24Å; L110-E123 HydrophobicContact CD1-CB 4.16Å; L110-E123 HydrophobicContact CD1-CG 4.1Å; A119-E123 PolarHBondContact O-N 3.48Å; E120-E123 PolarHBondContact O-N 3.32Å; M121-E123 PolarHBondContact O-N 3.34Å; E123-Q126 PolarHBondContact O-N 3.4Å; E123-A127 PolarHBondContact O-N 3.41Å
124I90.6Very high87.7Confident0 Ų042 Ų420%023%0.234CC..Hα-helixtrans-66.6-45.4178.3-59.9-54.3000111.6H67 Y108 L110 E120 M121 L122 Q126 A127 I128H67-I124 HydrophobicContact CB-CD1 3.77Å; H67-I124 WeakPolarHBondContact CD2-CD1 3.23Å; H67-I124 WeakPolarHBondContact ND1-CD1 3.43Å; Y108-I124 HydrophobicContact CD1-CB 3.65Å; Y108-I124 HydrophobicContact CD1-CG1 3.76Å; Y108-I124 HydrophobicContact CD1-CG2 3.81Å; Y108-I124 HydrophobicContact CE1-CB 3.55Å; Y108-I124 HydrophobicContact CE1-CG1 4.18Å; Y108-I124 HydrophobicContact CE1-CG2 3.35Å; Y108-I124 HydrophobicContact CG-CG1 4.4Å; L110-I124 HydrophobicContact CD2-CD1 3.7Å; L110-I124 HydrophobicContact CD2-CG1 4.04Å; E120-I124 PolarHBondContact O-N 3.44Å; M121-I124 PolarHBondContact O-N 2.97Å; L122-I124 PolarHBondContact O-N 3.05Å; I124-Q126 VanDerWaalsContact C-N 3.29Å; I124-Q126 PolarHBondContact O-N 3.44Å; I124-A127 WeakPolarHBondContact O-CB 3.33Å; I124-A127 PolarHBondContact O-N 3.08Å; I124-A127 VanDerWaalsContact O-N 3.16Å; I124-I128 HydrophobicContact CG2-CD1 3.97Å; I124-I128 HydrophobicContact CG2-CG1 4.49Å; I124-I128 WeakPolarHBondContact O-CG1 3.35Å; I124-I128 PolarHBondContact O-N 3.3Å
125V88.6Confident86.2Confident5 Ų545.2 Ų45.23%0.0325%0.246CC..Hα-helixtrans-61.8-40.4179.1175.50000110.4M121 L122 A127 I128 Y129 P145 R148 I152M121-V125 HydrophobicContact CG-CG2 4.3Å; M121-V125 WeakPolarHBondContact O-CB 3.1Å; M121-V125 WeakPolarHBondContact O-CG2 3.48Å; M121-V125 PolarHBondContact O-N 3.3Å; M121-V125 HydrophobicContact SD-CG2 4.18Å; L122-V125 PolarHBondContact O-N 3.47Å; V125-A127 PolarHBondContact O-N 3.34Å; V125-I128 PolarHBondContact O-N 2.83Å; V125-Y129 HydrophobicContact CG1-CD2 3.78Å; V125-Y129 HydrophobicContact CG1-CE2 3.56Å; V125-Y129 WeakPolarHBondContact O-CD2 3.23Å; V125-Y129 PolarHBondContact O-N 3.28Å; V125-P145 HydrophobicContact CB-CB 4.49Å; V125-P145 HydrophobicContact CG1-CB 3.86Å; V125-R148 HydrophobicContact CG1-CB 4.16Å; V125-R148 HydrophobicContact CG1-CG 4.12Å; V125-I152 HydrophobicContact CG2-CD1 4.46Å
126Q89.9Confident84.8Confident59 Ų5947 Ų4728%0.27626%0.259SS..Hα-helixtrans-61.7-42.3174.7-76.4179-7.600112.1L122 E123 I124 Y129 K130 P145 E146L122-Q126 HydrophobicContact CD1-CG 4.02Å; L122-Q126 HydrophobicContact CG-CG 4.24Å; L122-Q126 WeakPolarHBondContact O-CB 3.5Å; L122-Q126 VanDerWaalsContact O-CG 3.23Å; L122-Q126 WeakPolarHBondContact O-CG 3.23Å; L122-Q126 PolarHBondContact O-N 3.01Å; E123-Q126 PolarHBondContact O-N 3.4Å; I124-Q126 VanDerWaalsContact C-N 3.29Å; I124-Q126 PolarHBondContact O-N 3.44Å; Q126-Y129 PolarHBondContact O-N 2.57Å; Q126-K130 WeakPolarHBondContact O-CG 3.22Å; Q126-K130 PolarHBondContact O-N 3.14Å; Q126-P145 HydrophobicContact CB-CB 4.38Å; Q126-P145 HydrophobicContact CB-CG 4.44Å; Q126-P145 HydrophobicContact CG-CB 3.45Å; Q126-P145 VanDerWaalsContact CG-CB 3.45Å; Q126-P145 HydrophobicContact CG-CG 3.74Å; Q126-E146 PolarHBondContact NE2-OE1 3.14Å
127A88.3Confident83.5Confident1 Ų157 Ų571%0.00830%0.302CS..Hα-helixtrans-61.6-43.9175.800000111.8K63 F64 E123 I124 V125 K130 M131K63-A127 HydrophobicContact CB-CB 4.06Å; F64-A127 HydrophobicContact CB-CB 4.32Å; E123-A127 PolarHBondContact O-N 3.41Å; I124-A127 WeakPolarHBondContact O-CB 3.33Å; I124-A127 PolarHBondContact O-N 3.08Å; I124-A127 VanDerWaalsContact O-N 3.16Å; V125-A127 PolarHBondContact O-N 3.34Å; A127-K130 PolarHBondContact O-N 3.19Å; A127-M131 PolarHBondContact O-N 3.29Å
128I84.5Confident82.2Confident44 Ų4458.4 Ų58.423%0.22631%0.305CS..Hα-helixtrans-61.6-46.3175.9-66.3167.2000110.5F64 I124 V125 K130 M131 V132F64-I128 HydrophobicContact CD2-CG1 3.74Å; F64-I128 HydrophobicContact CE2-CD1 4.16Å; F64-I128 HydrophobicContact CE2-CG1 3.64Å; I124-I128 HydrophobicContact CG2-CD1 3.97Å; I124-I128 HydrophobicContact CG2-CG1 4.49Å; I124-I128 WeakPolarHBondContact O-CG1 3.35Å; I124-I128 PolarHBondContact O-N 3.3Å; V125-I128 PolarHBondContact O-N 2.83Å; I128-K130 VanDerWaalsContact C-N 3.33Å; I128-K130 PolarHBondContact O-N 3.13Å; I128-M131 WeakPolarHBondContact O-CB 3.47Å; I128-M131 PolarHBondContact O-N 3.13Å; I128-M131 VanDerWaalsContact O-N 3.1Å; I128-V132 HydrophobicContact CG2-CG1 4.41Å; I128-V132 HydrophobicContact CG2-CG2 4.45Å; I128-V132 WeakPolarHBondContact O-CG2 3.4Å; I128-V132 PolarHBondContact O-N 3.46Å
129Y82.8Confident81.2Confident29 Ų2956.5 Ų56.511%0.11431%0.306CS..Hα-helixtrans-61.8-41.5179.6-86.7-123.8000111.4V125 Q126 M131 V132 S133 M138 E142 P145 R148V125-Y129 HydrophobicContact CG1-CD2 3.78Å; V125-Y129 HydrophobicContact CG1-CE2 3.56Å; V125-Y129 WeakPolarHBondContact O-CD2 3.23Å; V125-Y129 PolarHBondContact O-N 3.28Å; Q126-Y129 PolarHBondContact O-N 2.57Å; Y129-M131 VanDerWaalsContact C-N 3.29Å; Y129-M131 PolarHBondContact O-N 2.87Å; Y129-V132 PolarHBondContact O-N 2.91Å; Y129-S133 WeakPolarHBondContact O-CA 3.4Å; Y129-S133 WeakPolarHBondContact O-CB 3.27Å; Y129-S133 PolarHBondContact O-N 3.39Å; Y129-S133 PolarHBondContact O-OG 3.3Å; Y129-M138 HydrophobicContact CD1-CE 4.37Å; Y129-M138 HydrophobicContact CD1-CG 4.42Å; Y129-M138 HydrophobicContact CD2-CE 4Å; Y129-M138 HydrophobicContact CE1-CE 4.08Å; Y129-M138 HydrophobicContact CE1-CG 3.81Å; Y129-M138 HydrophobicContact CE2-CE 3.69Å; Y129-M138 HydrophobicContact CG-CE 4.34Å; Y129-E142 WeakPolarHBondContact CE1-O 3.3Å; Y129-E142 PolarHBondContact OH-O 3.43Å; Y129-P145 HydrophobicContact CD1-CG 3.88Å; Y129-P145 HydrophobicContact CD2-CG 4.37Å; Y129-P145 HydrophobicContact CE1-CG 4.43Å; Y129-P145 HydrophobicContact CG-CG 3.84Å; Y129-R148 HydrophobicContact CE2-CG 4.48Å; Y129-R148 WeakPolarHBondContact OH-CB 3.42Å
130K83.6Confident80Confident103 Ų10361.3 Ų61.345%0.44832%0.316SS..Hα-helixtrans-61.1-39173.8-74.6180178.9-179.80112.4D60 Q126 A127 I128 S133D60-K130 PolarHBondContact N-O 2.93Å; Q126-K130 WeakPolarHBondContact O-CG 3.22Å; Q126-K130 PolarHBondContact O-N 3.14Å; A127-K130 PolarHBondContact O-N 3.19Å; I128-K130 VanDerWaalsContact C-N 3.33Å; I128-K130 PolarHBondContact O-N 3.13Å; K130-S133 PolarHBondContact O-OG 3.31Å
131M79.9Confident78.9Confident14 Ų1464.8 Ų64.87%0.06934%0.335CS..Hα-helixtrans-68.2-39.9177.6-175179.670.500112.9F56 G59 A61 F64 A127 I128 Y129F56-M131 HydrophobicContact CB-CG 4.31Å; F56-M131 HydrophobicContact CD1-CG 4.19Å; F56-M131 HydrophobicContact CD1-SD 4.16Å; F56-M131 HydrophobicContact CD2-SD 4.08Å; F56-M131 HydrophobicContact CE1-CE 4.31Å; F56-M131 HydrophobicContact CE1-SD 4.3Å; F56-M131 HydrophobicContact CE2-SD 4.22Å; F56-M131 HydrophobicContact CG-CG 4.17Å; F56-M131 HydrophobicContact CG-SD 4.04Å; F56-M131 HydrophobicContact CZ-CE 4.45Å; F56-M131 HydrophobicContact CZ-SD 4.33Å; G59-M131 WeakPolarHBondContact CA-O 3.47Å; A61-M131 HydrophobicContact CB-CG 4Å; A61-M131 HydrophobicContact CB-SD 4.13Å; F64-M131 HydrophobicContact CB-SD 4.08Å; F64-M131 HydrophobicContact CD1-CE 3.88Å; F64-M131 HydrophobicContact CD1-SD 3.52Å; F64-M131 VanDerWaalsContact CD1-SD 3.52Å; F64-M131 HydrophobicContact CE1-CE 4.07Å; F64-M131 HydrophobicContact CE1-SD 4.21Å; F64-M131 HydrophobicContact CG-CE 4.22Å; F64-M131 HydrophobicContact CG-SD 3.93Å; A127-M131 PolarHBondContact O-N 3.29Å; I128-M131 WeakPolarHBondContact O-CB 3.47Å; I128-M131 PolarHBondContact O-N 3.13Å; I128-M131 VanDerWaalsContact O-N 3.1Å; Y129-M131 VanDerWaalsContact C-N 3.29Å; Y129-M131 PolarHBondContact O-N 2.87Å
132V76.5Confident78.1Confident23 Ų2365.9 Ų65.914%0.13934%0.34CS..Hα-helixtrans-103.9-11.8-171.9-52.20000115I128 Y129 S134 V135 M136 M138I128-V132 HydrophobicContact CG2-CG1 4.41Å; I128-V132 HydrophobicContact CG2-CG2 4.45Å; I128-V132 WeakPolarHBondContact O-CG2 3.4Å; I128-V132 PolarHBondContact O-N 3.46Å; Y129-V132 PolarHBondContact O-N 2.91Å; V132-S134 PolarHBondContact O-N 2.8Å; V132-S134 VanDerWaalsContact O-N 3.09Å; V132-V135 PolarHBondContact O-N 3.44Å; V132-M136 PolarHBondContact O-N 3.35Å; V132-M138 HydrophobicContact CG2-CE 3.69Å
133S66.8Low77.5Confident83 Ų8366.4 Ų66.458%0.5835%0.348SS*.THydrogen-bonded Turntrans-58.2-25.5-173.6530000114.8Y129 K130 V135Y129-S133 WeakPolarHBondContact O-CA 3.4Å; Y129-S133 WeakPolarHBondContact O-CB 3.27Å; Y129-S133 PolarHBondContact O-N 3.39Å; Y129-S133 PolarHBondContact O-OG 3.3Å; K130-S133 PolarHBondContact O-OG 3.31Å; S133-V135 VanDerWaalsContact C-N 3.35Å
134S62.9Low77.1Confident70 Ų7065.8 Ų65.849%0.4935%0.348SS..THydrogen-bonded Turntrans-80.7-14.6175.154.20000113.8Y58 V132Y58-S134 VanDerWaalsContact C-OG 3.25Å; Y58-S134 VanDerWaalsContact O-CB 3.24Å; Y58-S134 WeakPolarHBondContact O-CB 3.26Å; Y58-S134 PolarHBondContact O-OG 3.47Å; V132-S134 PolarHBondContact O-N 2.8Å; V132-S134 VanDerWaalsContact O-N 3.09Å
135V62.6Low77Confident101 Ų10166.8 Ų66.861%0.61235%0.354SS*.THydrogen-bonded Turntrans-119.7-24.9-169.1-166.60000112.6V132 S133V132-V135 PolarHBondContact O-N 3.44Å; S133-V135 VanDerWaalsContact C-N 3.35Å
136M68Low77.1Confident123 Ų12370.5 Ų70.561%0.60637%0.372SS*.  trans-127.6132.7-174.6-70.2-172161.700112.6V132V132-M136 PolarHBondContact O-N 3.35Å
137K68.3Low77Confident210 Ų21072.5 Ų72.591%0.91338%0.379SS*.PPolyproline II helixtrans-84.8120.1167.1-80.5-174.8175-177.70109.4
138M69.5Low77Confident67 Ų6775.1 Ų75.133%0.3339%0.389SS..PPolyproline II helixtrans-81.4148176.2-62-55.4-154.200111.7Y129 V132Y129-M138 HydrophobicContact CD1-CE 4.37Å; Y129-M138 HydrophobicContact CD1-CG 4.42Å; Y129-M138 HydrophobicContact CD2-CE 4Å; Y129-M138 HydrophobicContact CE1-CE 4.08Å; Y129-M138 HydrophobicContact CE1-CG 3.81Å; Y129-M138 HydrophobicContact CE2-CE 3.69Å; Y129-M138 HydrophobicContact CG-CE 4.34Å; V132-M138 HydrophobicContact CG2-CE 3.69Å
139P72.8Confident77.3Confident64 Ų6473.2 Ų73.242%0.41638%0.38SS..PPolyproline II helixtrans-56.1153.1168.5-23.433.9000112.6D141 E142 S143P139-D141 VanDerWaalsContact C-N 3.32Å; P139-D141 VanDerWaalsContact CB-OD1 3.24Å; P139-D141 WeakPolarHBondContact CB-OD1 3.48Å; P139-D141 PolarHBondContact O-N 2.95Å; P139-E142 CarbonylContact O-C 3.21Å; P139-E142 PolarHBondContact O-N 3.38Å; P139-S143 WeakPolarHBondContact O-CA 3.41Å; P139-S143 PolarHBondContact O-N 3.48Å
140E71.6Confident77.6Confident174 Ų17474.9 Ų74.981%0.81339%0.391SS*.G310 helixtrans-61.6-35.8-178.5-80.1-172.9166.600113.8E142 S143E140-E142 PolarHBondContact O-N 2.84Å; E140-S143 WeakPolarHBondContact O-CB 3.42Å; E140-S143 PolarHBondContact O-N 3.02Å; E140-S143 PolarHBondContact O-OG 3.4Å
141D71.7Confident77.8Confident86 Ų8672.5 Ų72.546%0.4638%0.38SS..G310 helixtrans-73.9-9.9177.565-46.6000113.1P139 K151P139-D141 VanDerWaalsContact C-N 3.32Å; P139-D141 VanDerWaalsContact CB-OD1 3.24Å; P139-D141 WeakPolarHBondContact CB-OD1 3.48Å; P139-D141 PolarHBondContact O-N 2.95Å; D141-K151 IonicContact OD2-NZ 2.68Å; D141-K151 PolarHBondContact OD2-NZ 3.41Å
142E75.9Confident78.3Confident25 Ų2572.7 Ų72.712%0.11738%0.381CS..G310 helixtrans-127.322.5177.1-60.1176.9-167.800110.8Y129 P139 E140 T144 R148 K151Y129-E142 WeakPolarHBondContact CE1-O 3.3Å; Y129-E142 PolarHBondContact OH-O 3.43Å; P139-E142 CarbonylContact O-C 3.21Å; P139-E142 PolarHBondContact O-N 3.38Å; E140-E142 PolarHBondContact O-N 2.84Å; E142-T144 PolarHBondContact O-N 3.09Å; E142-R148 HydrophobicContact CB-CB 4.49Å; E142-R148 IonicContact OE1-CZ 2.98Å; E142-R148 IonicContact OE1-NH1 3.8Å; E142-R148 PolarHBondContact OE1-NH1 3.33Å; E142-R148 WeakPolarHBondContact OE2-CD 3.22Å; E142-R148 IonicContact OE2-CZ 3.88Å; E142-R148 IonicContact OE2-NE 3.7Å; E142-R148 IonicContact OE2-NH1 3.37Å; E142-R148 PolarHBondContact OE2-NH1 3.16Å; E142-K151 HydrophobicContact CG-CD 4.13Å; E142-K151 IonicContact OE1-NZ 2.7Å; E142-K151 PolarHBondContact OE1-NZ 3.35Å
143S79Confident79Confident55 Ų5571.7 Ų71.739%0.38538%0.375SS..SBendtrans-66.3-20.4-173.9460000113.8P139 E140 K147P139-S143 WeakPolarHBondContact O-CA 3.41Å; P139-S143 PolarHBondContact O-N 3.48Å; E140-S143 WeakPolarHBondContact O-CB 3.42Å; E140-S143 PolarHBondContact O-N 3.02Å; E140-S143 PolarHBondContact O-OG 3.4Å; S143-K147 PolarHBondContact OG-NZ 2.76Å; S143-K147 VanDerWaalsContact OG-NZ 3.12Å
144T86.2Confident80.1Confident46 Ų4677.4 Ų77.428%0.28238%0.384SS..SBendtrans-128.7153.1175.883.40000111.1E142 E146 K147 R148E142-T144 PolarHBondContact O-N 3.09Å; T144-E146 WeakPolarHBondContact CB-OE2 3.12Å; T144-E146 PolarHBondContact O-N 3.42Å; T144-E146 PolarHBondContact OG1-OE2 3.16Å; T144-K147 PolarHBondContact O-N 3.23Å; T144-K147 PolarHBondContact OG1-N 2.89Å; T144-R148 PolarHBondContact O-N 3.35Å; T144-R148 VanDerWaalsContact O-N 3.11Å
145P86.8Confident81.4Confident20 Ų2079.3 Ų79.313%0.1339%0.385CS..Hα-helixtrans-54.1-37.1174.9-29.638.6000113.8L122 V125 Q126 Y129 R148 T149L122-P145 HydrophobicContact CD1-CB 3.78Å; V125-P145 HydrophobicContact CB-CB 4.49Å; V125-P145 HydrophobicContact CG1-CB 3.86Å; Q126-P145 HydrophobicContact CB-CB 4.38Å; Q126-P145 HydrophobicContact CB-CG 4.44Å; Q126-P145 HydrophobicContact CG-CB 3.45Å; Q126-P145 VanDerWaalsContact CG-CB 3.45Å; Q126-P145 HydrophobicContact CG-CG 3.74Å; Y129-P145 HydrophobicContact CD1-CG 3.88Å; Y129-P145 HydrophobicContact CD2-CG 4.37Å; Y129-P145 HydrophobicContact CE1-CG 4.43Å; Y129-P145 HydrophobicContact CG-CG 3.84Å; P145-R148 PolarHBondContact O-N 2.94Å; P145-T149 WeakPolarHBondContact O-CB 3.26Å; P145-T149 PolarHBondContact O-N 3.39Å; P145-T149 PolarHBondContact O-OG1 3.36Å
146E91.3Very high82.7Confident84 Ų8475.1 Ų75.139%0.39336%0.359SS..Hα-helixtrans-66.2-46.5-180-57.871.5-154.900110.9L122 Q126 T144 R148 T149 D150L122-E146 HydrophobicContact CD1-CB 4.49Å; L122-E146 HydrophobicContact CD1-CG 4.02Å; L122-E146 HydrophobicContact CD2-CG 4.45Å; Q126-E146 PolarHBondContact NE2-OE1 3.14Å; T144-E146 WeakPolarHBondContact CB-OE2 3.12Å; T144-E146 PolarHBondContact O-N 3.42Å; T144-E146 PolarHBondContact OG1-OE2 3.16Å; E146-R148 VanDerWaalsContact C-N 3.34Å; E146-R148 PolarHBondContact O-N 2.75Å; E146-T149 WeakPolarHBondContact O-CB 3.46Å; E146-T149 PolarHBondContact O-N 2.96Å; E146-D150 PolarHBondContact O-N 3.48Å
147K88.8Confident83.9Confident101 Ų10169.9 Ų69.944%0.43933%0.333SS..Hα-helixtrans-62.2-42.3177.4-70.7-179.9179176.20111.9S143 T144 D150 K151S143-K147 PolarHBondContact OG-NZ 2.76Å; S143-K147 VanDerWaalsContact OG-NZ 3.12Å; T144-K147 PolarHBondContact O-N 3.23Å; T144-K147 PolarHBondContact OG1-N 2.89Å; K147-D150 PolarHBondContact O-N 2.97Å; K147-K151 WeakPolarHBondContact O-CB 3.37Å; K147-K151 PolarHBondContact O-N 2.92Å
148R87.6Confident85.1Confident55 Ų5564.6 Ų64.621%0.20831%0.314CS..Hα-helixtrans-63.9-43.3176.4-178.169.7-176.9173.47.4110.8V125 Y129 E142 T144 P145 E146 K151 I152V125-R148 HydrophobicContact CG1-CB 4.16Å; V125-R148 HydrophobicContact CG1-CG 4.12Å; Y129-R148 HydrophobicContact CE2-CG 4.48Å; Y129-R148 WeakPolarHBondContact OH-CB 3.42Å; E142-R148 HydrophobicContact CB-CB 4.49Å; E142-R148 IonicContact OE1-CZ 2.98Å; E142-R148 IonicContact OE1-NH1 3.8Å; E142-R148 PolarHBondContact OE1-NH1 3.33Å; E142-R148 WeakPolarHBondContact OE2-CD 3.22Å; E142-R148 IonicContact OE2-CZ 3.88Å; E142-R148 IonicContact OE2-NE 3.7Å; E142-R148 IonicContact OE2-NH1 3.37Å; E142-R148 PolarHBondContact OE2-NH1 3.16Å; T144-R148 PolarHBondContact O-N 3.35Å; T144-R148 VanDerWaalsContact O-N 3.11Å; P145-R148 PolarHBondContact O-N 2.94Å; E146-R148 VanDerWaalsContact C-N 3.34Å; E146-R148 PolarHBondContact O-N 2.75Å; R148-K151 PolarHBondContact O-N 3.31Å; R148-I152 HydrophobicContact CG-CD1 4.12Å; R148-I152 VanDerWaalsContact O-CG1 3.29Å; R148-I152 WeakPolarHBondContact O-CG1 3.45Å; R148-I152 PolarHBondContact O-N 2.9Å
149T89.9Confident86.2Confident5 Ų566.2 Ų66.23%0.03132%0.324CS..Hα-helixtrans-60.1-48.9175.8-59.90000111.4M121 L122 P145 E146 K151 I152 F153M121-T149 HydrophobicContact CB-CG2 4.01Å; M121-T149 HydrophobicContact CG-CG2 3.73Å; L122-T149 HydrophobicContact CB-CG2 4.37Å; P145-T149 WeakPolarHBondContact O-CB 3.26Å; P145-T149 PolarHBondContact O-N 3.39Å; P145-T149 PolarHBondContact O-OG1 3.36Å; E146-T149 WeakPolarHBondContact O-CB 3.46Å; E146-T149 PolarHBondContact O-N 2.96Å; T149-K151 VanDerWaalsContact C-N 3.3Å; T149-K151 PolarHBondContact O-N 2.83Å; T149-I152 PolarHBondContact O-N 3.1Å; T149-F153 HydrophobicContact CG2-CD2 4.12Å; T149-F153 HydrophobicContact CG2-CE2 4.27Å; T149-F153 WeakPolarHBondContact O-CD2 3.48Å; T149-F153 PolarHBondContact O-N 3.45Å
150D90.9Very high87.2Confident64 Ų6469.5 Ų69.534%0.34234%0.338SS..Hα-helixtrans-60.5-39.3177.8-81.1-27000112.8R118 E146 K147 R154R118-D150 IonicContact CZ-OD1 2.73Å; R118-D150 IonicContact NH1-OD1 2.71Å; R118-D150 PolarHBondContact NH1-OD1 3.34Å; E146-D150 PolarHBondContact O-N 3.48Å; K147-D150 PolarHBondContact O-N 2.97Å; D150-R154 WeakPolarHBondContact O-CB 3.49Å; D150-R154 PolarHBondContact O-N 3.39Å
151K87.9Confident88.3Confident53 Ų5364.2 Ų64.223%0.2332%0.315CS..Hα-helixtrans-64.8-43.8176.7-174176.9180179.20111.3D141 E142 K147 R148 T149 R154 Q155D141-K151 IonicContact OD2-NZ 2.68Å; D141-K151 PolarHBondContact OD2-NZ 3.41Å; E142-K151 HydrophobicContact CG-CD 4.13Å; E142-K151 IonicContact OE1-NZ 2.7Å; E142-K151 PolarHBondContact OE1-NZ 3.35Å; K147-K151 WeakPolarHBondContact O-CB 3.37Å; K147-K151 PolarHBondContact O-N 2.92Å; R148-K151 PolarHBondContact O-N 3.31Å; T149-K151 VanDerWaalsContact C-N 3.3Å; T149-K151 PolarHBondContact O-N 2.83Å; K151-R154 PolarHBondContact O-N 3.21Å; K151-Q155 VanDerWaalsContact O-CG 3.31Å; K151-Q155 WeakPolarHBondContact O-CG 3.34Å; K151-Q155 PolarHBondContact O-N 3.06Å
152I88.8Confident89.3Confident17 Ų1761.7 Ų61.79%0.08731%0.31CS..Hα-helixtrans-59.4-52.1176.6-69.8164.2000110.2M121 V125 R148 T149 R154 Q155 M156 L164M121-I152 HydrophobicContact CE-CG2 3.84Å; M121-I152 HydrophobicContact SD-CD1 3.99Å; M121-I152 HydrophobicContact SD-CG2 4.29Å; V125-I152 HydrophobicContact CG2-CD1 4.46Å; R148-I152 HydrophobicContact CG-CD1 4.12Å; R148-I152 VanDerWaalsContact O-CG1 3.29Å; R148-I152 WeakPolarHBondContact O-CG1 3.45Å; R148-I152 PolarHBondContact O-N 2.9Å; T149-I152 PolarHBondContact O-N 3.1Å; I152-R154 PolarHBondContact O-N 3.03Å; I152-Q155 PolarHBondContact O-N 3.29Å; I152-Q155 VanDerWaalsContact O-N 3.07Å; I152-M156 HydrophobicContact CG2-CE 4.37Å; I152-M156 HydrophobicContact CG2-CG 4.25Å; I152-M156 HydrophobicContact CG2-SD 3.89Å; I152-M156 WeakPolarHBondContact O-CB 3.47Å; I152-M156 WeakPolarHBondContact O-CG 3.4Å; I152-M156 PolarHBondContact O-N 3.1Å; I152-L164 HydrophobicContact CG2-CD1 4.23Å
153F92Very high90.3Very high2 Ų265.5 Ų65.51%0.00932%0.323CS..Hα-helixtrans-60.4-44179.3-89.3-96.8000112R118 M121 T149 Q155 M156 D157 G162 L164R118-F153 HydrophobicContact CB-CE2 4.29Å; R118-F153 HydrophobicContact CB-CZ 4.2Å; R118-F153 HydrophobicContact CG-CD1 3.8Å; R118-F153 HydrophobicContact CG-CD2 3.9Å; R118-F153 HydrophobicContact CG-CE1 3.57Å; R118-F153 HydrophobicContact CG-CE2 3.68Å; R118-F153 HydrophobicContact CG-CG 3.96Å; R118-F153 HydrophobicContact CG-CZ 3.52Å; M121-F153 HydrophobicContact CB-CE2 3.71Å; M121-F153 HydrophobicContact CB-CZ 4.49Å; M121-F153 HydrophobicContact CE-CE2 4.43Å; M121-F153 HydrophobicContact CG-CD2 4.47Å; M121-F153 HydrophobicContact CG-CE2 3.92Å; T149-F153 HydrophobicContact CG2-CD2 4.12Å; T149-F153 HydrophobicContact CG2-CE2 4.27Å; T149-F153 WeakPolarHBondContact O-CD2 3.48Å; T149-F153 PolarHBondContact O-N 3.45Å; F153-Q155 PolarHBondContact O-N 3.01Å; F153-M156 PolarHBondContact O-N 3.23Å; F153-D157 HydrophobicContact CD1-CB 4.15Å; F153-D157 WeakPolarHBondContact O-CB 3.32Å; F153-D157 PolarHBondContact O-N 3.06Å; F153-G162 WeakPolarHBondContact CE1-O 3.3Å; F153-L164 HydrophobicContact CD1-CD2 4.28Å; F153-L164 HydrophobicContact CD1-CG 4.27Å; F153-L164 HydrophobicContact CE1-CD1 4.46Å; F153-L164 HydrophobicContact CE1-CD2 4.28Å; F153-L164 HydrophobicContact CE1-CG 3.83Å; F153-L164 HydrophobicContact CE2-CD1 4.27Å; F153-L164 HydrophobicContact CE2-CG 4.49Å; F153-L164 HydrophobicContact CZ-CD1 4.19Å; F153-L164 HydrophobicContact CZ-CG 3.95Å
154R90.7Very high91.1Very high203 Ų20362.9 Ų62.977%0.76631%0.305SS*.Hα-helixtrans-59.2-23.7177.3-117.8-179.6-77.6165.3-6.9114.3D150 K151 I152D150-R154 WeakPolarHBondContact O-CB 3.49Å; D150-R154 PolarHBondContact O-N 3.39Å; K151-R154 PolarHBondContact O-N 3.21Å; I152-R154 PolarHBondContact O-N 3.03Å
155Q88.3Confident91.6Very high110 Ų11062 Ų6251%0.51430%0.3SS..Hα-helixtrans-97.7-32.2-177.9-70.6177.2-10.700112.9K151 I152 F153K151-Q155 VanDerWaalsContact O-CG 3.31Å; K151-Q155 WeakPolarHBondContact O-CG 3.34Å; K151-Q155 PolarHBondContact O-N 3.06Å; I152-Q155 PolarHBondContact O-N 3.29Å; I152-Q155 VanDerWaalsContact O-N 3.07Å; F153-Q155 PolarHBondContact O-N 3.01Å
156M91.3Very high91.9Very high13 Ų1363.2 Ų63.26%0.06431%0.306CS..Hα-helixtrans-106.1-29.6-170.2-58.7-163.4178.300114I152 F153 I158 L164 E168 F169I152-M156 HydrophobicContact CG2-CE 4.37Å; I152-M156 HydrophobicContact CG2-CG 4.25Å; I152-M156 HydrophobicContact CG2-SD 3.89Å; I152-M156 WeakPolarHBondContact O-CB 3.47Å; I152-M156 WeakPolarHBondContact O-CG 3.4Å; I152-M156 PolarHBondContact O-N 3.1Å; F153-M156 PolarHBondContact O-N 3.23Å; M156-I158 WeakPolarHBondContact O-CG1 3.44Å; M156-I158 PolarHBondContact O-N 3.07Å; M156-I158 VanDerWaalsContact O-N 3.13Å; M156-L164 HydrophobicContact CB-CD1 4.17Å; M156-L164 HydrophobicContact CB-CD2 3.72Å; M156-E168 WeakPolarHBondContact O-CB 3.21Å; M156-F169 HydrophobicContact SD-CD2 4.4Å
157D93.5Very high92.1Very high13 Ų1367 Ų677%0.0732%0.323CS..  trans-77.793.8179.5-175.2-4.9000108.9F153 N160 D161 G162 L164F153-D157 HydrophobicContact CD1-CB 4.15Å; F153-D157 WeakPolarHBondContact O-CB 3.32Å; F153-D157 PolarHBondContact O-N 3.06Å; D157-N160 WeakPolarHBondContact OD1-CA 3.36Å; D157-N160 PolarHBondContact OD1-N 2.65Å; D157-D161 PolarHBondContact OD1-N 3.04Å; D157-G162 WeakPolarHBondContact OD2-CA 3.23Å; D157-G162 PolarHBondContact OD2-N 3.24Å; D157-G162 VanDerWaalsContact OD2-N 3.14Å; D157-L164 HydrophobicContact CB-CD2 3.74Å
158I92.3Very high92.4Very high100 Ų10063 Ų6351%0.51331%0.306SS..SBendtrans-83.8-40.7-170.5-59.1-56000110.4M156 N160 E168M156-I158 WeakPolarHBondContact O-CG1 3.44Å; M156-I158 PolarHBondContact O-N 3.07Å; M156-I158 VanDerWaalsContact O-N 3.13Å; I158-N160 VanDerWaalsContact C-N 3.33Å; I158-N160 PolarHBondContact O-ND2 3.41Å; I158-E168 HydrophobicContact CG1-CG 4.33Å; I158-E168 PolarHBondContact N-OE1 3.39Å
159D93.9Very high92.7Very high101 Ų10161 Ų6154%0.5430%0.299SS..SBendtrans-85-8.1-179.971.411.4000113.3D161 E168D159-D161 VanDerWaalsContact C-N 3.27Å; D159-D161 PolarHBondContact O-N 3.34Å; D159-D161 VanDerWaalsContact OD1-CB 3.28Å; D159-D161 WeakPolarHBondContact OD1-CB 3.42Å; D159-D161 VanDerWaalsContact OD1-CG 3.25Å; D159-D161 PolarHBondContact OD1-N 3.16Å; D159-E168 PolarHBondContact N-OE1 3.32Å
160N93.3Very high92.7Very high132 Ų13261.6 Ų61.671%0.70630%0.302SS*.  trans61.333178.9-59.9-95.2000112.7D157 I158 G162D157-N160 WeakPolarHBondContact OD1-CA 3.36Å; D157-N160 PolarHBondContact OD1-N 2.65Å; I158-N160 VanDerWaalsContact C-N 3.33Å; I158-N160 PolarHBondContact O-ND2 3.41Å; N160-G162 PolarHBondContact O-N 3.41Å
161D94.4Very high92.8Very high63 Ų6365 Ų6534%0.33731%0.314SS..SBendtrans-79.9-5.3175.884.6-6.3000113.2D157 D159 R163D157-D161 PolarHBondContact OD1-N 3.04Å; D159-D161 VanDerWaalsContact C-N 3.27Å; D159-D161 PolarHBondContact O-N 3.34Å; D159-D161 VanDerWaalsContact OD1-CB 3.28Å; D159-D161 WeakPolarHBondContact OD1-CB 3.42Å; D159-D161 VanDerWaalsContact OD1-CG 3.25Å; D159-D161 PolarHBondContact OD1-N 3.16Å; D161-R163 VanDerWaalsContact CG-CG 3.48Å; D161-R163 WeakPolarHBondContact OD1-CG 3.41Å; D161-R163 PolarHBondContact OD1-N 3.09Å; D161-R163 IonicContact OD1-NE 2.76Å; D161-R163 WeakPolarHBondContact OD2-CG 3.31Å; D161-R163 IonicContact OD2-CZ 2.8Å; D161-R163 IonicContact OD2-NE 3.5Å; D161-R163 PolarHBondContact OD2-NE 2.99Å; D161-R163 IonicContact OD2-NH2 2.69Å; D161-R163 PolarHBondContact OD2-NH2 2.98Å; D161-R163 VanDerWaalsContact OD2-NH2 3.15Å
162G92.8Very high92.8Very high33 Ų3362.8 Ų62.834%0.3431%0.305SS..SBendtrans84.78.417400000114.5F153 D157 N160F153-G162 WeakPolarHBondContact CE1-O 3.3Å; D157-G162 WeakPolarHBondContact OD2-CA 3.23Å; D157-G162 PolarHBondContact OD2-N 3.24Å; D157-G162 VanDerWaalsContact OD2-N 3.14Å; N160-G162 PolarHBondContact O-N 3.41Å
163R95.8Very high92.8Very high105 Ų10562 Ų6240%0.39630%0.302SS..EExtended strand (participates in β ladder)trans-134.3166.9172.653.6-178.3-178.7176.22.6108.5Y115 I116 D161Y115-R163 HydrophobicContact CD1-CG 3.97Å; Y115-R163 HydrophobicContact CG-CG 4.37Å; I116-R163 CarbonylContact O-C 3.52Å; I116-R163 WeakPolarHBondContact O-CA 3.32Å; D161-R163 VanDerWaalsContact CG-CG 3.48Å; D161-R163 WeakPolarHBondContact OD1-CG 3.41Å; D161-R163 PolarHBondContact OD1-N 3.09Å; D161-R163 IonicContact OD1-NE 2.76Å; D161-R163 WeakPolarHBondContact OD2-CG 3.31Å; D161-R163 IonicContact OD2-CZ 2.8Å; D161-R163 IonicContact OD2-NE 3.5Å; D161-R163 PolarHBondContact OD2-NE 2.99Å; D161-R163 IonicContact OD2-NH2 2.69Å; D161-R163 PolarHBondContact OD2-NH2 2.98Å; D161-R163 VanDerWaalsContact OD2-NH2 3.15Å
164L95.9Very high92.5Very high0 Ų066.4 Ų66.40%032%0.321CS..EExtended strand (participates in β ladder)trans-113.5119.9177.5-60.5176.3000109.6Y115 I116 M121 I152 F153 M156 D157Y115-L164 CarbonylContact C-O 3.49Å; Y115-L164 WeakPolarHBondContact CA-O 3.47Å; I116-L164 HydrophobicContact CB-CB 4.26Å; I116-L164 PolarHBondContact N-O 3.42Å; I116-L164 PolarHBondContact O-N 3.21Å; M121-L164 HydrophobicContact CE-CD1 3.74Å; I152-L164 HydrophobicContact CG2-CD1 4.23Å; F153-L164 HydrophobicContact CD1-CD2 4.28Å; F153-L164 HydrophobicContact CD1-CG 4.27Å; F153-L164 HydrophobicContact CE1-CD1 4.46Å; F153-L164 HydrophobicContact CE1-CD2 4.28Å; F153-L164 HydrophobicContact CE1-CG 3.83Å; F153-L164 HydrophobicContact CE2-CD1 4.27Å; F153-L164 HydrophobicContact CE2-CG 4.49Å; F153-L164 HydrophobicContact CZ-CD1 4.19Å; F153-L164 HydrophobicContact CZ-CG 3.95Å; M156-L164 HydrophobicContact CB-CD1 4.17Å; M156-L164 HydrophobicContact CB-CD2 3.72Å; D157-L164 HydrophobicContact CB-CD2 3.74Å
165S96.6Very high92.3Very high27 Ų2761 Ų6119%0.18931%0.314CS..EExtended strand (participates in β ladder)trans-70.4161.3166.365.60000111.3E167 E168 F169S165-E167 PolarHBondContact O-N 2.95Å; S165-E168 WeakPolarHBondContact CB-OE2 3.44Å; S165-E168 PolarHBondContact N-OE2 2.95Å; S165-E168 PolarHBondContact O-N 3.47Å; S165-E168 WeakPolarHBondContact OG-CB 3.41Å; S165-E168 VanDerWaalsContact OG-CG 3.28Å; S165-E168 WeakPolarHBondContact OG-CG 3.31Å; S165-E168 PolarHBondContact OG-N 2.93Å; S165-E168 PolarHBondContact OG-OE2 3.44Å; S165-F169 WeakPolarHBondContact O-CB 3.31Å; S165-F169 PolarHBondContact O-N 3.46Å
166L94.6Very high91.8Very high47 Ų4757.4 Ų57.425%0.24630%0.298CS..Hα-helixtrans-57.4-37.2175179.261.1000112.6R102 F105 I170R102-L166 HydrophobicContact CG-CD1 4.27Å; R102-L166 HydrophobicContact CG-CD2 4.44Å; R102-L166 VanDerWaalsContact NH1-CD2 3.26Å; F105-L166 HydrophobicContact CB-CD1 3.55Å; F105-L166 HydrophobicContact CD1-CD1 3.86Å; F105-L166 HydrophobicContact CD2-CB 4.28Å; F105-L166 HydrophobicContact CD2-CD1 3.71Å; F105-L166 HydrophobicContact CE1-CB 4.36Å; F105-L166 VanDerWaalsContact CE2-CA 3.46Å; F105-L166 HydrophobicContact CE2-CB 4.09Å; F105-L166 HydrophobicContact CE2-CD1 4.37Å; F105-L166 HydrophobicContact CG-CB 4.5Å; F105-L166 HydrophobicContact CG-CD1 3.41Å; F105-L166 VanDerWaalsContact CG-CD1 3.41Å; F105-L166 HydrophobicContact CZ-CB 4.14Å; L166-I170 HydrophobicContact CD1-CD1 3.78Å; L166-I170 HydrophobicContact CD1-CG1 4.08Å; L166-I170 HydrophobicContact CG-CD1 3.86Å; L166-I170 HydrophobicContact CG-CG1 4.49Å; L166-I170 WeakPolarHBondContact O-CB 3.35Å; L166-I170 VanDerWaalsContact O-CG1 3.25Å; L166-I170 WeakPolarHBondContact O-CG1 3.48Å; L166-I170 PolarHBondContact O-N 2.79Å
167E94.9Very high91Very high163 Ų16361.7 Ų61.776%0.76233%0.327SS*.Hα-helixtrans-66.8-45.1179.4-65.1-172.917900111.8S165 I170 K171S165-E167 PolarHBondContact O-N 2.95Å; E167-I170 PolarHBondContact O-N 3.26Å; E167-K171 VanDerWaalsContact O-CB 3.24Å; E167-K171 WeakPolarHBondContact O-CB 3.2Å; E167-K171 PolarHBondContact O-N 3.43Å
168E94.9Very high89.9Confident16 Ų1664.6 Ų64.68%0.07535%0.349CS..Hα-helixtrans-62.5-45.6175.7-76.1171.1129.800111.9M156 I158 D159 S165 I170 K171 G172M156-E168 WeakPolarHBondContact O-CB 3.21Å; I158-E168 HydrophobicContact CG1-CG 4.33Å; I158-E168 PolarHBondContact N-OE1 3.39Å; D159-E168 PolarHBondContact N-OE1 3.32Å; S165-E168 WeakPolarHBondContact CB-OE2 3.44Å; S165-E168 PolarHBondContact N-OE2 2.95Å; S165-E168 PolarHBondContact O-N 3.47Å; S165-E168 WeakPolarHBondContact OG-CB 3.41Å; S165-E168 VanDerWaalsContact OG-CG 3.28Å; S165-E168 WeakPolarHBondContact OG-CG 3.31Å; S165-E168 PolarHBondContact OG-N 2.93Å; S165-E168 PolarHBondContact OG-OE2 3.44Å; E168-I170 PolarHBondContact O-N 2.76Å; E168-K171 PolarHBondContact O-N 3.48Å; E168-G172 PolarHBondContact O-N 3.32Å
169F93.1Very high88.9Confident15 Ų1561.9 Ų61.97%0.06634%0.335CS..Hα-helixtrans-60-48.2176.9-178.3-95.3000111.7L101 A104 F105 Y108 I116 M156 S165 K171 G172 A173L101-F169 HydrophobicContact CD2-CE1 4.44Å; A104-F169 HydrophobicContact CB-CE1 4.21Å; A104-F169 HydrophobicContact CB-CZ 4.27Å; F105-F169 HydrophobicContact CB-CD1 3.97Å; F105-F169 HydrophobicContact CB-CE1 4.13Å; F105-F169 HydrophobicContact CD2-CB 3.67Å; F105-F169 AromaticContact CD2-CD1 3.92Å; F105-F169 HydrophobicContact CD2-CD1 3.92Å; F105-F169 HydrophobicContact CD2-CD2 4.42Å; F105-F169 AromaticContact CD2-CG 3.75Å; F105-F169 HydrophobicContact CD2-CG 3.75Å; F105-F169 HydrophobicContact CE2-CB 4.09Å; F105-F169 HydrophobicContact CG-CD1 4.47Å; Y108-F169 HydrophobicContact CD2-CE2 4.04Å; Y108-F169 HydrophobicContact CD2-CZ 4.04Å; Y108-F169 HydrophobicContact CE2-CE2 4.25Å; Y108-F169 HydrophobicContact CE2-CZ 4.17Å; I116-F169 HydrophobicContact CD1-CD2 3.78Å; I116-F169 HydrophobicContact CD1-CE2 4.17Å; I116-F169 HydrophobicContact CD1-CG 4.26Å; M156-F169 HydrophobicContact SD-CD2 4.4Å; S165-F169 WeakPolarHBondContact O-CB 3.31Å; S165-F169 PolarHBondContact O-N 3.46Å; F169-K171 PolarHBondContact O-N 2.95Å; F169-G172 PolarHBondContact O-N 2.99Å; F169-A173 VanDerWaalsContact O-CB 3.22Å; F169-A173 WeakPolarHBondContact O-CB 3.38Å; F169-A173 PolarHBondContact O-N 3.46Å
170I91.7Very high88Confident17 Ų1758.3 Ų58.39%0.08732%0.316CS..Hα-helixtrans-62.8-44.8178.7-72.3172.2000110.7L101 R102 L166 E167 E168 K174L101-I170 HydrophobicContact CB-CG1 4.14Å; L101-I170 HydrophobicContact CD1-CG2 4.22Å; R102-I170 HydrophobicContact CG-CD1 4.12Å; L166-I170 HydrophobicContact CD1-CD1 3.78Å; L166-I170 HydrophobicContact CD1-CG1 4.08Å; L166-I170 HydrophobicContact CG-CD1 3.86Å; L166-I170 HydrophobicContact CG-CG1 4.49Å; L166-I170 WeakPolarHBondContact O-CB 3.35Å; L166-I170 VanDerWaalsContact O-CG1 3.25Å; L166-I170 WeakPolarHBondContact O-CG1 3.48Å; L166-I170 PolarHBondContact O-N 2.79Å; E167-I170 PolarHBondContact O-N 3.26Å; E168-I170 PolarHBondContact O-N 2.76Å; I170-K174 HydrophobicContact CG2-CD 3.85Å; I170-K174 HydrophobicContact CG2-CG 4.41Å; I170-K174 VanDerWaalsContact O-CB 3.3Å; I170-K174 WeakPolarHBondContact O-CB 3.29Å; I170-K174 VanDerWaalsContact O-CG 3.26Å; I170-K174 WeakPolarHBondContact O-CG 3.18Å; I170-K174 PolarHBondContact O-N 2.86Å
171K91.6Very high87Confident136 Ų13661.3 Ų61.359%0.59132%0.318SS*.Hα-helixtrans-64-45.7179.9-175.6179.8177.4-174.10111.1E167 E168 F169 K174 S175E167-K171 VanDerWaalsContact O-CB 3.24Å; E167-K171 WeakPolarHBondContact O-CB 3.2Å; E167-K171 PolarHBondContact O-N 3.43Å; E168-K171 PolarHBondContact O-N 3.48Å; F169-K171 PolarHBondContact O-N 2.95Å; K171-K174 PolarHBondContact O-N 3.24Å; K171-S175 PolarHBondContact O-N 3.03Å; K171-S175 VanDerWaalsContact O-N 3.09Å
172G88.9Confident85.8Confident5 Ų564.1 Ų64.15%0.05233%0.332CS..Hα-helixtrans-59.9-52.417600000111.9E168 F169 K174 S175 D176E168-G172 PolarHBondContact O-N 3.32Å; F169-G172 PolarHBondContact O-N 2.99Å; G172-K174 VanDerWaalsContact C-N 3.34Å; G172-K174 PolarHBondContact O-N 2.88Å; G172-S175 WeakPolarHBondContact O-CB 3.33Å; G172-S175 PolarHBondContact O-N 2.71Å; G172-S175 PolarHBondContact O-OG 2.88Å; G172-D176 PolarHBondContact O-N 3.44Å
173A87.8Confident84.6Confident2 Ų264.4 Ų64.42%0.01733%0.326CS..Hα-helixtrans-62.5-38179.600000112.8L101 F169 S175 D176 I179L101-A173 HydrophobicContact CD1-CB 4.44Å; L101-A173 HydrophobicContact CD2-CB 3.46Å; L101-A173 VanDerWaalsContact CD2-CB 3.46Å; F169-A173 VanDerWaalsContact O-CB 3.22Å; F169-A173 WeakPolarHBondContact O-CB 3.38Å; F169-A173 PolarHBondContact O-N 3.46Å; A173-S175 VanDerWaalsContact C-N 3.25Å; A173-S175 PolarHBondContact O-N 2.8Å; A173-D176 PolarHBondContact O-N 3.46Å; A173-I179 HydrophobicContact CB-CG2 4.15Å
174K87.1Confident83.4Confident93 Ų9364.1 Ų64.140%0.40433%0.329SS..Hα-helixtrans-68.2-23.9174.4-75.6178178.5174.80113.1L97 E98 L101 I170 K171 G172L97-K174 HydrophobicContact CD2-CG 4.3Å; E98-K174 IonicContact OE2-NZ 2.69Å; L101-K174 HydrophobicContact CD1-CD 4.46Å; L101-K174 HydrophobicContact CD1-CG 3.84Å; I170-K174 HydrophobicContact CG2-CD 3.85Å; I170-K174 HydrophobicContact CG2-CG 4.41Å; I170-K174 VanDerWaalsContact O-CB 3.3Å; I170-K174 WeakPolarHBondContact O-CB 3.29Å; I170-K174 VanDerWaalsContact O-CG 3.26Å; I170-K174 WeakPolarHBondContact O-CG 3.18Å; I170-K174 PolarHBondContact O-N 2.86Å; K171-K174 PolarHBondContact O-N 3.24Å; G172-K174 VanDerWaalsContact C-N 3.34Å; G172-K174 PolarHBondContact O-N 2.88Å
175S85.2Confident81.5Confident91 Ų9167.6 Ų67.664%0.63635%0.353SS*.Hα-helixtrans-81-15.9177.276.90000113.5K171 G172 A173 P177K171-S175 PolarHBondContact O-N 3.03Å; K171-S175 VanDerWaalsContact O-N 3.09Å; G172-S175 WeakPolarHBondContact O-CB 3.33Å; G172-S175 PolarHBondContact O-N 2.71Å; G172-S175 PolarHBondContact O-OG 2.88Å; A173-S175 VanDerWaalsContact C-N 3.25Å; A173-S175 PolarHBondContact O-N 2.8Å; S175-P177 VanDerWaalsContact O-CD 3.32Å; S175-P177 WeakPolarHBondContact O-CD 3.46Å
176D78.1Confident79.3Confident33 Ų3370 Ų7018%0.17636%0.364CS..  trans-93.3107.2175.1-172.6-27.3000110.7G172 A173 S178 I179 V180G172-D176 PolarHBondContact O-N 3.44Å; A173-D176 PolarHBondContact O-N 3.46Å; D176-S178 VanDerWaalsContact CG-OG 3.32Å; D176-S178 PolarHBondContact O-N 3.11Å; D176-S178 VanDerWaalsContact O-N 3.16Å; D176-S178 WeakPolarHBondContact OD1-CA 3.13Å; D176-S178 VanDerWaalsContact OD1-CB 3.29Å; D176-S178 WeakPolarHBondContact OD1-CB 3.19Å; D176-S178 PolarHBondContact OD1-N 3.26Å; D176-S178 PolarHBondContact OD1-OG 2.91Å; D176-S178 PolarHBondContact OD2-OG 2.83Å; D176-I179 HydrophobicContact CB-CB 4.18Å; D176-I179 HydrophobicContact CB-CD1 3.95Å; D176-I179 HydrophobicContact CB-CG1 4.05Å; D176-I179 PolarHBondContact O-N 3.34Å; D176-I179 PolarHBondContact OD1-N 2.86Å; D176-V180 WeakPolarHBondContact O-CG2 3.24Å; D176-V180 PolarHBondContact O-N 3.24Å; D176-V180 VanDerWaalsContact O-N 3.09Å
177P74.5Confident76.9Confident103 Ų10374.5 Ų74.567%0.66938%0.384SS*.Hα-helixtrans-62.9-24.1-178.6-21.634.6000113.6S175 R181S175-P177 VanDerWaalsContact O-CD 3.32Å; S175-P177 WeakPolarHBondContact O-CD 3.46Å; P177-R181 WeakPolarHBondContact O-CB 2.98Å; P177-R181 PolarHBondContact O-N 3.41Å
178S70Confident74.2Confident75 Ų7569.6 Ų69.652%0.52438%0.377SS..Hα-helixtrans-72.4-42.3178.774.10000111.5D176 R181 L182D176-S178 VanDerWaalsContact CG-OG 3.32Å; D176-S178 PolarHBondContact O-N 3.11Å; D176-S178 VanDerWaalsContact O-N 3.16Å; D176-S178 WeakPolarHBondContact OD1-CA 3.13Å; D176-S178 VanDerWaalsContact OD1-CB 3.29Å; D176-S178 WeakPolarHBondContact OD1-CB 3.19Å; D176-S178 PolarHBondContact OD1-N 3.26Å; D176-S178 PolarHBondContact OD1-OG 2.91Å; D176-S178 PolarHBondContact OD2-OG 2.83Å; S178-R181 PolarHBondContact O-N 2.56Å; S178-L182 VanDerWaalsContact O-CB 3.31Å; S178-L182 WeakPolarHBondContact O-CB 3.37Å; S178-L182 PolarHBondContact O-N 3.09Å
179I71.8Confident71.4Confident43 Ų4373.5 Ų73.522%0.22140%0.402CS..Hα-helixtrans-66.6-47.3175.8-65.1178.7000110A173 D176 R181 L182 L183A173-I179 HydrophobicContact CB-CG2 4.15Å; D176-I179 HydrophobicContact CB-CB 4.18Å; D176-I179 HydrophobicContact CB-CD1 3.95Å; D176-I179 HydrophobicContact CB-CG1 4.05Å; D176-I179 PolarHBondContact O-N 3.34Å; D176-I179 PolarHBondContact OD1-N 2.86Å; I179-R181 VanDerWaalsContact C-N 3.33Å; I179-R181 PolarHBondContact O-N 3.36Å; I179-L182 PolarHBondContact O-N 3.04Å; I179-L183 HydrophobicContact CG2-CD1 3.74Å; I179-L183 HydrophobicContact CG2-CG 4.34Å; I179-L183 WeakPolarHBondContact O-CB 3.33Å; I179-L183 WeakPolarHBondContact O-CG 3.42Å; I179-L183 PolarHBondContact O-N 2.8Å
180V75.3Confident68.7Low25 Ų2577.6 Ų77.615%0.15243%0.433CS..Hα-helixtrans-58.7-47.4177.4174.50000110.5L97 D176 L182 L183 Q184L97-V180 HydrophobicContact CD2-CG1 4.3Å; D176-V180 WeakPolarHBondContact O-CG2 3.24Å; D176-V180 PolarHBondContact O-N 3.24Å; D176-V180 VanDerWaalsContact O-N 3.09Å; V180-L182 PolarHBondContact O-N 2.84Å; V180-L183 PolarHBondContact O-N 2.69Å; V180-Q184 VanDerWaalsContact CG1-CD 3.49Å; V180-Q184 HydrophobicContact CG1-CG 4.25Å; V180-Q184 WeakPolarHBondContact O-CB 3.24Å; V180-Q184 WeakPolarHBondContact O-CG 3.32Å; V180-Q184 PolarHBondContact O-N 3.12Å
181R71.4Confident65.7Low195 Ų19588.1 Ų88.174%0.73647%0.471SS*.Hα-helixtrans-61.3-44.6178.3-174.1177-179.5-179.2-0.2111.4P177 S178 I179 Q184 S185P177-R181 WeakPolarHBondContact O-CB 2.98Å; P177-R181 PolarHBondContact O-N 3.41Å; S178-R181 PolarHBondContact O-N 2.56Å; I179-R181 VanDerWaalsContact C-N 3.33Å; I179-R181 PolarHBondContact O-N 3.36Å; R181-Q184 PolarHBondContact O-N 2.63Å; R181-S185 WeakPolarHBondContact O-CA 3.29Å; R181-S185 WeakPolarHBondContact O-CB 3.47Å; R181-S185 PolarHBondContact O-N 2.62Å; R181-S185 PolarHBondContact O-OG 2.58Å
182L69.3Low62.8Low123 Ų12389.7 Ų89.764%0.64448%0.481SS*.Hα-helixtrans-62.6-45.4-179.6-174.1148000112S178 I179 V180 Q184 S185S178-L182 VanDerWaalsContact O-CB 3.31Å; S178-L182 WeakPolarHBondContact O-CB 3.37Å; S178-L182 PolarHBondContact O-N 3.09Å; I179-L182 PolarHBondContact O-N 3.04Å; V180-L182 PolarHBondContact O-N 2.84Å; L182-Q184 VanDerWaalsContact C-N 3.35Å; L182-S185 WeakPolarHBondContact CA-OG 3.15Å; L182-S185 PolarHBondContact O-OG 3.37Å
183L69Low60.1Low38 Ų38102.8 Ų102.820%0.19954%0.537CS..Hα-helixtrans-72.7-27.3180-66.6174.7000113.1L97 K100 L101 I179 V180L97-L183 HydrophobicContact CD1-CB 3.97Å; L97-L183 HydrophobicContact CD1-CD1 4.15Å; K100-L183 WeakPolarHBondContact CD-O 3.35Å; K100-L183 PolarHBondContact NZ-O 2.71Å; K100-L183 VanDerWaalsContact NZ-O 3.16Å; L101-L183 HydrophobicContact CD2-CD1 3.47Å; L101-L183 VanDerWaalsContact CD2-CD1 3.47Å; L101-L183 HydrophobicContact CG-CD1 4.13Å; I179-L183 HydrophobicContact CG2-CD1 3.74Å; I179-L183 HydrophobicContact CG2-CG 4.34Å; I179-L183 WeakPolarHBondContact O-CB 3.33Å; I179-L183 WeakPolarHBondContact O-CG 3.42Å; I179-L183 PolarHBondContact O-N 2.8Å; V180-L183 PolarHBondContact O-N 2.69Å
184Q68.8Low58.7Low99 Ų99107.9 Ų107.946%0.46356%0.563SS.*Hα-helixtrans-89.2-25.5177-70.4-179.4-21.800113.8L97 V180 R181 L182 D186 Q187L97-Q184 HydrophobicContact CD1-CG 4.39Å; V180-Q184 VanDerWaalsContact CG1-CD 3.49Å; V180-Q184 HydrophobicContact CG1-CG 4.25Å; V180-Q184 WeakPolarHBondContact O-CB 3.24Å; V180-Q184 WeakPolarHBondContact O-CG 3.32Å; V180-Q184 PolarHBondContact O-N 3.12Å; R181-Q184 PolarHBondContact O-N 2.63Å; L182-Q184 VanDerWaalsContact C-N 3.35Å; Q184-D186 PolarHBondContact O-N 2.91Å; Q184-Q187 PolarHBondContact O-N 3.05Å; Q184-Q187 VanDerWaalsContact O-N 3.14Å
185S56.9Low57.3Low73 Ų73108.6 Ų108.651%0.5157%0.571SS.*G310 helixtrans-63.2-13.9-17738.80000113.9R181 L182 Q187R181-S185 WeakPolarHBondContact O-CA 3.29Å; R181-S185 WeakPolarHBondContact O-CB 3.47Å; R181-S185 PolarHBondContact O-N 2.62Å; R181-S185 PolarHBondContact O-OG 2.58Å; L182-S185 WeakPolarHBondContact CA-OG 3.15Å; L182-S185 PolarHBondContact O-OG 3.37Å; S185-Q187 VanDerWaalsContact C-N 3.28Å; S185-Q187 PolarHBondContact O-N 3.18Å
186D51.5Low55.7Low77 Ų77109.6 Ų109.641%0.41257%0.568SS.*G310 helixtrans-77.1-9.1177.7-135.912.5000114.1Q184 G188Q184-D186 PolarHBondContact O-N 2.91Å; D186-G188 PolarHBondContact O-N 3.34Å
187Q43.8Very low54.4Low142 Ų142114.1 Ų114.166%0.66459%0.591SS**G310 helixtrans-75.3-0.3174.9-64.9-159.20.100113.9Q184 S185Q184-Q187 PolarHBondContact O-N 3.05Å; Q184-Q187 VanDerWaalsContact O-N 3.14Å; S185-Q187 VanDerWaalsContact C-N 3.28Å; S185-Q187 PolarHBondContact O-N 3.18Å
188G37.6Very low53.1Low61 Ų61114.8 Ų114.863%0.62959%0.586SS**SBendtrans-111.4-16.6-173.200000116.7D186D186-G188 PolarHBondContact O-N 3.34Å
189T35.7Very low52Low97 Ų97117.5 Ų117.560%0.59559%0.59SS**SBendtrans-100.8-5.9-17015.20000115R191T189-R191 PolarHBondContact O-N 3.34Å
190S36.7Very low50.6Low101 Ų101122.8 Ų122.871%0.70662%0.616SS**THydrogen-bonded Turntrans-73.219.6176.7-44.90000115.2
191R29.7Very low48.7Very low239 Ų239130.3 Ų130.390%0.90265%0.652SS**THydrogen-bonded Turntrans-101.15.9173.8-89.5-170.3178.6176.32.1114.7T189T189-R191 PolarHBondContact O-N 3.34Å
192Q29.4Very low46.8Very low168 Ų168124.9 Ų124.979%0.78565%0.645SS**  trans-137.858.8174.4-70.3-172.65.600112.1
193F33.3Very low44.7Very low281 Ų281125.1 Ų125.1100%1.23265%0.645SS**  trans-145.30144.6-72.2-68.2000108.2

Retrieved 193 of 193 residues in 1588.7 ms (Link to these results)

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