A0A077ZPL7_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZPL7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 191 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
1M67.1Low87.4Confident185 Ų185109.3 Ų109.391%0.91152%0.521SS*.  0-34.80-63.3-149.8-178.300114.6R3 R5M1-R3 VanDerWaalsContact C-N 3.32Å; M1-R3 PolarHBondContact O-N 3.14Å; M1-R5 PolarHBondContact O-N 3.36Å
2L84Confident88Confident137 Ų137103.6 Ų103.672%0.71750%0.496SS*.Hα-helixtrans-62.6-38.1179-70.1175.5000113.3D4 R5 L6L2-D4 PolarHBondContact O-N 3.3Å; L2-R5 PolarHBondContact O-N 3.04Å; L2-L6 PolarHBondContact O-N 3.09Å; L2-L6 VanDerWaalsContact O-N 3.11Å
3R86.3Confident88.5Confident71 Ų71104.5 Ų104.527%0.26850%0.499SS..Hα-helixtrans-53-52.1177.5-176.2-177.5-174.6143.59.1113.3M1 R5 L6 A7 E22 K23 L25M1-R3 VanDerWaalsContact C-N 3.32Å; M1-R3 PolarHBondContact O-N 3.14Å; R3-R5 VanDerWaalsContact C-N 3.31Å; R3-R5 PolarHBondContact O-N 2.94Å; R3-L6 WeakPolarHBondContact O-CB 2.96Å; R3-L6 PolarHBondContact O-N 3.02Å; R3-A7 PolarHBondContact O-N 3.46Å; R3-A7 VanDerWaalsContact O-N 3.1Å; R3-E22 PolarHBondContact NH2-O 3.16Å; R3-K23 PolarHBondContact NH1-O 3.2Å; R3-L25 HydrophobicContact CG-CB 4.04Å; R3-L25 HydrophobicContact CG-CD2 3.93Å
4D87.4Confident88.9Confident80 Ų80100.9 Ų100.943%0.42849%0.487SS..Hα-helixtrans-71.1-32.4-174.4-48.2-40.6000110.9L2 L6 A7 C8L2-D4 PolarHBondContact O-N 3.3Å; D4-L6 PolarHBondContact O-N 3.15Å; D4-A7 PolarHBondContact O-N 2.95Å; D4-C8 VanDerWaalsContact O-CB 3.25Å; D4-C8 WeakPolarHBondContact O-CB 3.26Å; D4-C8 PolarHBondContact O-N 3.14Å; D4-C8 PolarHBondContact O-SG 2.86Å
5R90.4Very high89.3Confident175 Ų17594.8 Ų94.866%0.6646%0.458SS*.Hα-helixtrans-62.7-41.4172.8-69.6-177.9-177.1-179.60.7112.1M1 L2 R3 S9M1-R5 PolarHBondContact O-N 3.36Å; L2-R5 PolarHBondContact O-N 3.04Å; R3-R5 VanDerWaalsContact C-N 3.31Å; R3-R5 PolarHBondContact O-N 2.94Å; R5-S9 WeakPolarHBondContact O-CB 3.08Å; R5-S9 PolarHBondContact O-N 3.48Å; R5-S9 VanDerWaalsContact O-N 3.11Å
6L89.4Confident89.6Confident74 Ų7491.9 Ų91.939%0.38744%0.444SS..Hα-helixtrans-62.4-50.1175.1-70.8174.3000110.9L2 R3 D4 C8 S9 F10L2-L6 PolarHBondContact O-N 3.09Å; L2-L6 VanDerWaalsContact O-N 3.11Å; R3-L6 WeakPolarHBondContact O-CB 2.96Å; R3-L6 PolarHBondContact O-N 3.02Å; D4-L6 PolarHBondContact O-N 3.15Å; L6-C8 PolarHBondContact O-N 3.1Å; L6-S9 WeakPolarHBondContact O-CB 3.47Å; L6-S9 PolarHBondContact O-N 3.45Å; L6-S9 PolarHBondContact O-OG 3.5Å; L6-F10 VanDerWaalsContact O-CD2 3.23Å; L6-F10 WeakPolarHBondContact O-CD2 3.34Å; L6-F10 WeakPolarHBondContact O-CE2 3.49Å
7A89.8Confident89.9Confident0 Ų094.9 Ų94.90%045%0.449CS..Hα-helixtrans-60.8-46.5178.500000111.9R3 D4 S9 F10 Q16 L19 L20R3-A7 PolarHBondContact O-N 3.46Å; R3-A7 VanDerWaalsContact O-N 3.1Å; D4-A7 PolarHBondContact O-N 2.95Å; A7-S9 PolarHBondContact O-N 3.08Å; A7-F10 WeakPolarHBondContact O-CD2 3.43Å; A7-F10 PolarHBondContact O-N 3.3Å; A7-Q16 WeakPolarHBondContact O-CG 3.4Å; A7-L19 HydrophobicContact CB-CB 4.21Å; A7-L20 HydrophobicContact CB-CD2 3.52Å; A7-L20 HydrophobicContact CB-CG 3.77Å
8C90.1Very high90.1Very high80 Ų8097.9 Ų97.954%0.54146%0.456SS..Hα-helixtrans-67.7-14.1179.4-67.40000114.3D4 L6 F10D4-C8 VanDerWaalsContact O-CB 3.25Å; D4-C8 WeakPolarHBondContact O-CB 3.26Å; D4-C8 PolarHBondContact O-N 3.14Å; D4-C8 PolarHBondContact O-SG 2.86Å; L6-C8 PolarHBondContact O-N 3.1Å; C8-F10 VanDerWaalsContact C-N 3.3Å
9S91.6Very high90.3Very high85 Ų8592.8 Ų92.859%0.59443%0.432SS*.THydrogen-bonded Turntrans-73.1-21.3177.374.50000113.6R5 L6 A7R5-S9 WeakPolarHBondContact O-CB 3.08Å; R5-S9 PolarHBondContact O-N 3.48Å; R5-S9 VanDerWaalsContact O-N 3.11Å; L6-S9 WeakPolarHBondContact O-CB 3.47Å; L6-S9 PolarHBondContact O-N 3.45Å; L6-S9 PolarHBondContact O-OG 3.5Å; A7-S9 PolarHBondContact O-N 3.08Å
10F92.1Very high90.4Very high63 Ų6392.1 Ų92.128%0.27643%0.431SS..SBendtrans-75.5141.1178.5-68.3-86.1000110.7L6 A7 C8 L15 Q16 L19 A34L6-F10 VanDerWaalsContact O-CD2 3.23Å; L6-F10 WeakPolarHBondContact O-CD2 3.34Å; L6-F10 WeakPolarHBondContact O-CE2 3.49Å; A7-F10 WeakPolarHBondContact O-CD2 3.43Å; A7-F10 PolarHBondContact O-N 3.3Å; C8-F10 VanDerWaalsContact C-N 3.3Å; F10-L15 HydrophobicContact CB-CD2 4.38Å; F10-L15 HydrophobicContact CD1-CD2 3.6Å; F10-L15 HydrophobicContact CE1-CD2 4.09Å; F10-L15 HydrophobicContact CG-CD2 4.05Å; F10-Q16 HydrophobicContact CB-CG 4.25Å; F10-Q16 PolarHBondContact O-NE2 3.24Å; F10-L19 HydrophobicContact CD2-CD1 3.45Å; F10-L19 VanDerWaalsContact CD2-CD1 3.45Å; F10-L19 HydrophobicContact CE2-CD1 3.42Å; F10-L19 VanDerWaalsContact CE2-CD1 3.42Å; F10-L19 HydrophobicContact CG-CD1 4.16Å; F10-L19 HydrophobicContact CZ-CD1 4.09Å; F10-A34 HydrophobicContact CE1-CB 4.23Å
11R93.2Very high90.5Very high252 Ų25291.5 Ų91.595%0.95144%0.442SS*.SBendtrans-76.8-23.2179-63.8-176.4-178.3-1590.6113.8
12D94.5Very high91.7Very high41 Ų4186.6 Ų86.622%0.21942%0.417CS..  trans-92.2112.5-173.6-167-7.5000111.5T14 L15 Q16 Y37 R41D12-T14 VanDerWaalsContact C-N 3.26Å; D12-T14 PolarHBondContact O-N 3.05Å; D12-T14 PolarHBondContact OD1-N 3.41Å; D12-T14 PolarHBondContact OD1-OG1 2.6Å; D12-T14 PolarHBondContact OD2-OG1 3.11Å; D12-L15 HydrophobicContact CB-CB 4.16Å; D12-L15 PolarHBondContact O-N 3.32Å; D12-L15 VanDerWaalsContact O-N 3.16Å; D12-Q16 WeakPolarHBondContact O-CG 3.44Å; D12-Q16 PolarHBondContact O-N 3.36Å; D12-Y37 WeakPolarHBondContact OD2-CE1 3.47Å; D12-Y37 PolarHBondContact OD2-OH 3.42Å; D12-R41 IonicContact OD2-CZ 3.65Å; D12-R41 IonicContact OD2-NH1 3.92Å; D12-R41 PolarHBondContact OD2-NH1 2.82Å
13E94.3Very high91.9Very high115 Ų11588.9 Ų88.954%0.53742%0.421SS..Hα-helixtrans-59.8-33.3-176.5-62.8-173.9174.300113.5Q16 R17E13-Q16 PolarHBondContact O-N 2.93Å; E13-R17 VanDerWaalsContact O-CG 3.32Å; E13-R17 WeakPolarHBondContact O-CG 3.34Å; E13-R17 PolarHBondContact O-N 3.27Å; E13-R17 IonicContact OE2-CZ 3.73Å; E13-R17 IonicContact OE2-NH1 2.73Å; E13-R17 IonicContact OE2-NH2 2.76Å; E13-R17 PolarHBondContact OE2-NH2 3.43Å
14T94.6Very high91.9Very high54 Ų5489.9 Ų89.933%0.33144%0.438SS..Hα-helixtrans-69.5-38.5179.353.80000111D12 R18 Y37D12-T14 VanDerWaalsContact C-N 3.26Å; D12-T14 PolarHBondContact O-N 3.05Å; D12-T14 PolarHBondContact OD1-N 3.41Å; D12-T14 PolarHBondContact OD1-OG1 2.6Å; D12-T14 PolarHBondContact OD2-OG1 3.11Å; T14-R18 WeakPolarHBondContact O-CG 3.21Å; T14-R18 PolarHBondContact O-N 2.73Å; T14-R18 VanDerWaalsContact O-N 3.14Å; T14-Y37 VanDerWaalsContact OG1-CZ 3.31Å; T14-Y37 PolarHBondContact OG1-OH 3.21Å
15L94.7Very high91.9Very high10 Ų1087.1 Ų87.15%0.05242%0.423CS..Hα-helixtrans-67.4-42.6173.7-178.561.1000110.4F10 D12 R17 R18 L19 A34 Y37F10-L15 HydrophobicContact CB-CD2 4.38Å; F10-L15 HydrophobicContact CD1-CD2 3.6Å; F10-L15 HydrophobicContact CE1-CD2 4.09Å; F10-L15 HydrophobicContact CG-CD2 4.05Å; D12-L15 HydrophobicContact CB-CB 4.16Å; D12-L15 PolarHBondContact O-N 3.32Å; D12-L15 VanDerWaalsContact O-N 3.16Å; L15-R17 PolarHBondContact O-N 3.46Å; L15-R18 PolarHBondContact O-N 3.07Å; L15-L19 HydrophobicContact CD1-CD1 4.27Å; L15-L19 HydrophobicContact CD1-CG 4.21Å; L15-L19 HydrophobicContact CG-CD1 3.94Å; L15-L19 HydrophobicContact CG-CG 4.35Å; L15-L19 WeakPolarHBondContact O-CG 3.32Å; L15-L19 PolarHBondContact O-N 3.29Å; L15-A34 HydrophobicContact CD2-CB 4.2Å; L15-Y37 HydrophobicContact CB-CD1 4Å; L15-Y37 HydrophobicContact CB-CE1 3.9Å; L15-Y37 HydrophobicContact CD1-CD1 3.94Å; L15-Y37 HydrophobicContact CD1-CG 3.91Å; L15-Y37 HydrophobicContact CD2-CD1 4.15Å; L15-Y37 HydrophobicContact CG-CD1 4.25Å
16Q94.5Very high91.9Very high49 Ų4982.3 Ų82.323%0.22942%0.416CS..Hα-helixtrans-54.8-50.3174.2-65.4-176.3-13.700111.5A7 F10 D12 E13 R18 L19 L20A7-Q16 WeakPolarHBondContact O-CG 3.4Å; F10-Q16 HydrophobicContact CB-CG 4.25Å; F10-Q16 PolarHBondContact O-NE2 3.24Å; D12-Q16 WeakPolarHBondContact O-CG 3.44Å; D12-Q16 PolarHBondContact O-N 3.36Å; E13-Q16 PolarHBondContact O-N 2.93Å; Q16-R18 VanDerWaalsContact C-N 3.3Å; Q16-R18 PolarHBondContact O-N 3.23Å; Q16-L19 PolarHBondContact O-N 2.95Å; Q16-L20 WeakPolarHBondContact O-CB 3.48Å; Q16-L20 VanDerWaalsContact O-CG 3.29Å; Q16-L20 WeakPolarHBondContact O-CG 3.23Å; Q16-L20 PolarHBondContact O-N 3.42Å
17R94.2Very high91.9Very high142 Ų14285.7 Ų85.754%0.53643%0.427SS..Hα-helixtrans-58.4-41.7178.3-71.2178.1-160.7106.95.1111.9E13 L15 A21E13-R17 VanDerWaalsContact O-CG 3.32Å; E13-R17 WeakPolarHBondContact O-CG 3.34Å; E13-R17 PolarHBondContact O-N 3.27Å; E13-R17 IonicContact OE2-CZ 3.73Å; E13-R17 IonicContact OE2-NH1 2.73Å; E13-R17 IonicContact OE2-NH2 2.76Å; E13-R17 PolarHBondContact OE2-NH2 3.43Å; L15-R17 PolarHBondContact O-N 3.46Å; R17-A21 VanDerWaalsContact O-CB 3.31Å; R17-A21 WeakPolarHBondContact O-CB 3.11Å; R17-A21 PolarHBondContact O-N 3.31Å
18R93.6Very high92Very high149 Ų14990.2 Ų90.256%0.56246%0.455SS*.Hα-helixtrans-64.6-45.4177.1-72.5179.8-177.7-164.13.3112T14 L15 Q16 L20 A21 E22T14-R18 WeakPolarHBondContact O-CG 3.21Å; T14-R18 PolarHBondContact O-N 2.73Å; T14-R18 VanDerWaalsContact O-N 3.14Å; L15-R18 PolarHBondContact O-N 3.07Å; Q16-R18 VanDerWaalsContact C-N 3.3Å; Q16-R18 PolarHBondContact O-N 3.23Å; R18-L20 VanDerWaalsContact C-N 3.35Å; R18-L20 PolarHBondContact O-N 3.4Å; R18-A21 PolarHBondContact O-N 2.84Å; R18-E22 PolarHBondContact O-N 2.69Å
19L94Very high92.1Very high1 Ų189 Ų891%0.00545%0.445CS..Hα-helixtrans-66.2-36.1178.9-66.6169.5000112.6A7 F10 L15 Q16 L25 A30 L33A7-L19 HydrophobicContact CB-CB 4.21Å; F10-L19 HydrophobicContact CD2-CD1 3.45Å; F10-L19 VanDerWaalsContact CD2-CD1 3.45Å; F10-L19 HydrophobicContact CE2-CD1 3.42Å; F10-L19 VanDerWaalsContact CE2-CD1 3.42Å; F10-L19 HydrophobicContact CG-CD1 4.16Å; F10-L19 HydrophobicContact CZ-CD1 4.09Å; L15-L19 HydrophobicContact CD1-CD1 4.27Å; L15-L19 HydrophobicContact CD1-CG 4.21Å; L15-L19 HydrophobicContact CG-CD1 3.94Å; L15-L19 HydrophobicContact CG-CG 4.35Å; L15-L19 WeakPolarHBondContact O-CG 3.32Å; L15-L19 PolarHBondContact O-N 3.29Å; Q16-L19 PolarHBondContact O-N 2.95Å; L19-L25 HydrophobicContact CB-CD1 4.32Å; L19-L25 HydrophobicContact CB-CD2 4.28Å; L19-L25 HydrophobicContact CD2-CD1 3.76Å; L19-A30 HydrophobicContact CD2-CB 4.05Å; L19-L33 HydrophobicContact CD2-CB 4.16Å; L19-L33 HydrophobicContact CD2-CD1 4.07Å
20L92.2Very high92.2Very high78 Ų7885.2 Ų85.241%0.40842%0.419SS..Hα-helixtrans-72.4-29.6175.7-69.8174.2000112.7A7 Q16 R18 E22A7-L20 HydrophobicContact CB-CD2 3.52Å; A7-L20 HydrophobicContact CB-CG 3.77Å; Q16-L20 WeakPolarHBondContact O-CB 3.48Å; Q16-L20 VanDerWaalsContact O-CG 3.29Å; Q16-L20 WeakPolarHBondContact O-CG 3.23Å; Q16-L20 PolarHBondContact O-N 3.42Å; R18-L20 VanDerWaalsContact C-N 3.35Å; R18-L20 PolarHBondContact O-N 3.4Å; L20-E22 VanDerWaalsContact C-N 3.32Å
21A93Very high92.3Very high81 Ų8186 Ų8667%0.66943%0.426SS*.Hα-helixtrans-74.1-21.6177.100000113.5R17 R18R17-A21 VanDerWaalsContact O-CB 3.31Å; R17-A21 WeakPolarHBondContact O-CB 3.11Å; R17-A21 PolarHBondContact O-N 3.31Å; R18-A21 PolarHBondContact O-N 2.84Å
22E91.1Very high92.4Very high82 Ų8277.4 Ų77.438%0.38340%0.404SS..  trans-58.7152.5177.6-162.650.8-12800110.5R3 R18 L20 L25 V29R3-E22 PolarHBondContact NH2-O 3.16Å; R18-E22 PolarHBondContact O-N 2.69Å; L20-E22 VanDerWaalsContact C-N 3.32Å; E22-L25 HydrophobicContact CB-CD1 4.45Å; E22-V29 HydrophobicContact CG-CG1 4.43Å
23K88.8Confident92.4Very high184 Ų18478.4 Ų78.480%0.841%0.409SS*.SBendtrans-86.7-36.7177.3-71.4178.8-177175.40112.6R3R3-K23 PolarHBondContact NH1-O 3.2Å
24C85.6Confident92.4Very high93 Ų9373.3 Ų73.363%0.62839%0.387SS*.SBendtrans-129.3101.6-179.4-64.30000109.1
25L87.5Confident92.5Very high22 Ų2276.2 Ų76.212%0.11540%0.396CS..  trans-98.793.3-179.4-169.272.1000110.4R3 L19 E22 A30R3-L25 HydrophobicContact CG-CB 4.04Å; R3-L25 HydrophobicContact CG-CD2 3.93Å; L19-L25 HydrophobicContact CB-CD1 4.32Å; L19-L25 HydrophobicContact CB-CD2 4.28Å; L19-L25 HydrophobicContact CD2-CD1 3.76Å; E22-L25 HydrophobicContact CB-CD1 4.45Å; L25-A30 HydrophobicContact CD1-CB 3.82Å; L25-A30 HydrophobicContact CG-CB 4.25Å
26C90.2Very high92.6Very high74 Ų7478.6 Ų78.650%0.542%0.418SS..  trans-88.2158.4165.5-63.60000110T28 V29 A30C26-T28 VanDerWaalsContact C-N 3.29Å; C26-T28 PolarHBondContact O-N 3.37Å; C26-V29 HydrophobicContact CB-CG2 4.26Å; C26-V29 PolarHBondContact O-N 2.85Å; C26-A30 PolarHBondContact O-N 3.13Å
27F89.7Confident92.7Very high145 Ų14577.5 Ų77.564%0.63641%0.411SS*.Hα-helixtrans-56.5-42.2178.8175.7-101.1000112.6A30 L31F27-A30 PolarHBondContact O-N 2.99Å; F27-L31 HydrophobicContact CE1-CD2 4.39Å; F27-L31 WeakPolarHBondContact O-CB 3.49Å; F27-L31 PolarHBondContact O-N 2.96Å
28T92.6Very high92.7Very high94 Ų9475.9 Ų75.958%0.57741%0.41SS*.Hα-helixtrans-59.9-47.6177.650.70000111.9C26 L31 S32C26-T28 VanDerWaalsContact C-N 3.29Å; C26-T28 PolarHBondContact O-N 3.37Å; T28-L31 PolarHBondContact O-N 2.97Å; T28-S32 PolarHBondContact O-N 3.07Å; T28-S32 PolarHBondContact O-OG 3.18Å
29V92.8Very high92.9Very high54 Ų5471 Ų7133%0.32740%0.402SS..Hα-helixtrans-63.1-44.2177.6179.20000110.9E22 C26 L31 S32 L33E22-V29 HydrophobicContact CG-CG1 4.43Å; C26-V29 HydrophobicContact CB-CG2 4.26Å; C26-V29 PolarHBondContact O-N 2.85Å; V29-L31 VanDerWaalsContact C-N 3.34Å; V29-L31 PolarHBondContact O-N 2.81Å; V29-S32 PolarHBondContact O-N 3.24Å; V29-L33 HydrophobicContact CG1-CD1 4.02Å; V29-L33 WeakPolarHBondContact O-CB 3.18Å; V29-L33 WeakPolarHBondContact O-CG 3.26Å; V29-L33 PolarHBondContact O-N 3.44Å
30A93.3Very high93Very high6 Ų673 Ų735%0.0542%0.419CS..Hα-helixtrans-60.9-42.8177.400000112L19 L25 C26 F27 A34L19-A30 HydrophobicContact CD2-CB 4.05Å; L25-A30 HydrophobicContact CD1-CB 3.82Å; L25-A30 HydrophobicContact CG-CB 4.25Å; C26-A30 PolarHBondContact O-N 3.13Å; F27-A30 PolarHBondContact O-N 2.99Å; A30-A34 WeakPolarHBondContact O-CB 3.3Å; A30-A34 PolarHBondContact O-N 3.05Å
31L94.1Very high93.1Very high80 Ų8075.9 Ų75.942%0.41942%0.424SS..Hα-helixtrans-64.3-48.6177.9179.861.9000111.5F27 T28 V29 L33 A34 Q35F27-L31 HydrophobicContact CE1-CD2 4.39Å; F27-L31 WeakPolarHBondContact O-CB 3.49Å; F27-L31 PolarHBondContact O-N 2.96Å; T28-L31 PolarHBondContact O-N 2.97Å; V29-L31 VanDerWaalsContact C-N 3.34Å; V29-L31 PolarHBondContact O-N 2.81Å; L31-L33 VanDerWaalsContact C-N 3.33Å; L31-L33 PolarHBondContact O-N 2.81Å; L31-A34 PolarHBondContact O-N 3.25Å; L31-Q35 HydrophobicContact CD1-CG 4.42Å; L31-Q35 WeakPolarHBondContact O-CG 2.83Å; L31-Q35 PolarHBondContact O-N 3.37Å
32S95.1Very high93.2Very high72 Ų7280.2 Ų80.250%0.50342%0.423SS..Hα-helixtrans-61.4-41.4178-61.40000112.1T28 V29 Q35 A36T28-S32 PolarHBondContact O-N 3.07Å; T28-S32 PolarHBondContact O-OG 3.18Å; V29-S32 PolarHBondContact O-N 3.24Å; S32-Q35 PolarHBondContact O-N 3.28Å; S32-A36 WeakPolarHBondContact O-CB 2.82Å; S32-A36 PolarHBondContact O-N 2.87Å
33L94.3Very high93.3Very high62 Ų6280.7 Ų80.733%0.32543%0.428SS..Hα-helixtrans-64.3-41.7175.3-78.7172.3000112.3L19 V29 L31 Y37L19-L33 HydrophobicContact CD2-CB 4.16Å; L19-L33 HydrophobicContact CD2-CD1 4.07Å; V29-L33 HydrophobicContact CG1-CD1 4.02Å; V29-L33 WeakPolarHBondContact O-CB 3.18Å; V29-L33 WeakPolarHBondContact O-CG 3.26Å; V29-L33 PolarHBondContact O-N 3.44Å; L31-L33 VanDerWaalsContact C-N 3.33Å; L31-L33 PolarHBondContact O-N 2.81Å; L33-Y37 WeakPolarHBondContact O-CB 3.36Å; L33-Y37 PolarHBondContact O-N 3.02Å
34A94.8Very high93.5Very high8 Ų876.2 Ų76.27%0.06642%0.416CS..Hα-helixtrans-63.5-45.1177.200000111.5F10 L15 A30 L31 Y37 E38F10-A34 HydrophobicContact CE1-CB 4.23Å; L15-A34 HydrophobicContact CD2-CB 4.2Å; A30-A34 WeakPolarHBondContact O-CB 3.3Å; A30-A34 PolarHBondContact O-N 3.05Å; L31-A34 PolarHBondContact O-N 3.25Å; A34-Y37 PolarHBondContact O-N 3.15Å; A34-E38 WeakPolarHBondContact O-CG 3.14Å; A34-E38 PolarHBondContact O-N 2.89Å
35Q96.8Very high93.8Very high114 Ų11477.6 Ų77.653%0.53341%0.413SS..Hα-helixtrans-62.4-46.5176.4-72.5176.3-26.600112.2L31 S32 Y37 E38 A39L31-Q35 HydrophobicContact CD1-CG 4.42Å; L31-Q35 WeakPolarHBondContact O-CG 2.83Å; L31-Q35 PolarHBondContact O-N 3.37Å; S32-Q35 PolarHBondContact O-N 3.28Å; Q35-Y37 VanDerWaalsContact C-N 3.27Å; Q35-Y37 PolarHBondContact O-N 2.92Å; Q35-E38 PolarHBondContact O-N 3.19Å; Q35-A39 PolarHBondContact O-N 3.06Å
36A96.5Very high94Very high60 Ų6078.9 Ų78.950%0.49642%0.424SS..Hα-helixtrans-62.2-38176.500000111.7S32 A39 A40S32-A36 WeakPolarHBondContact O-CB 2.82Å; S32-A36 PolarHBondContact O-N 2.87Å; A36-A39 PolarHBondContact O-N 3.34Å; A36-A40 VanDerWaalsContact O-CB 3.32Å; A36-A40 WeakPolarHBondContact O-CB 3.39Å; A36-A40 PolarHBondContact O-N 3.46Å
37Y96.4Very high93.9Very high26 Ų2681.1 Ų81.110%0.10243%0.429CS..Hα-helixtrans-67.6-42.4176.7178.8-102.3000112.2D12 T14 L15 L33 A34 Q35 A40 R41D12-Y37 WeakPolarHBondContact OD2-CE1 3.47Å; D12-Y37 PolarHBondContact OD2-OH 3.42Å; T14-Y37 VanDerWaalsContact OG1-CZ 3.31Å; T14-Y37 PolarHBondContact OG1-OH 3.21Å; L15-Y37 HydrophobicContact CB-CD1 4Å; L15-Y37 HydrophobicContact CB-CE1 3.9Å; L15-Y37 HydrophobicContact CD1-CD1 3.94Å; L15-Y37 HydrophobicContact CD1-CG 3.91Å; L15-Y37 HydrophobicContact CD2-CD1 4.15Å; L15-Y37 HydrophobicContact CG-CD1 4.25Å; L33-Y37 WeakPolarHBondContact O-CB 3.36Å; L33-Y37 PolarHBondContact O-N 3.02Å; A34-Y37 PolarHBondContact O-N 3.15Å; Q35-Y37 VanDerWaalsContact C-N 3.27Å; Q35-Y37 PolarHBondContact O-N 2.92Å; Y37-A40 PolarHBondContact O-N 2.94Å; Y37-R41 HydrophobicContact CD1-CG 4.41Å; Y37-R41 HydrophobicContact CE1-CG 3.98Å; Y37-R41 HydrophobicContact CE2-CG 4.23Å; Y37-R41 VanDerWaalsContact CZ-CD 3.44Å; Y37-R41 WeakPolarHBondContact O-CB 3.35Å; Y37-R41 WeakPolarHBondContact O-CG 3.42Å; Y37-R41 PolarHBondContact O-N 2.85Å; Y37-R41 WeakPolarHBondContact OH-CD 3.49Å
38E95.4Very high93.7Very high108 Ų10878.1 Ų78.151%0.50543%0.425SS..Hα-helixtrans-62.7-42.6174.1-75-175.7178.200112.3A34 Q35 R41 R42A34-E38 WeakPolarHBondContact O-CG 3.14Å; A34-E38 PolarHBondContact O-N 2.89Å; Q35-E38 PolarHBondContact O-N 3.19Å; E38-R41 PolarHBondContact O-N 3.04Å; E38-R42 WeakPolarHBondContact O-CG 3.12Å; E38-R42 PolarHBondContact O-N 3.33Å; E38-R42 VanDerWaalsContact O-N 3.1Å
39A96.7Very high93Very high47 Ų4778.7 Ų78.739%0.38842%0.424SS..Hα-helixtrans-60.7-52.5174.700000111.1Q35 A36 R41 R42 D43Q35-A39 PolarHBondContact O-N 3.06Å; A36-A39 PolarHBondContact O-N 3.34Å; A39-R41 VanDerWaalsContact C-N 3.25Å; A39-R41 PolarHBondContact O-N 2.83Å; A39-R42 WeakPolarHBondContact O-CB 3.29Å; A39-R42 PolarHBondContact O-N 3.31Å; A39-D43 PolarHBondContact O-N 2.6Å
40A96Very high91.8Very high44 Ų4483.4 Ų83.436%0.36444%0.443SS..Hα-helixtrans-58.9-36.1178.200000112.6A36 Y37 D43 V44A36-A40 VanDerWaalsContact O-CB 3.32Å; A36-A40 WeakPolarHBondContact O-CB 3.39Å; A36-A40 PolarHBondContact O-N 3.46Å; Y37-A40 PolarHBondContact O-N 2.94Å; A40-D43 PolarHBondContact O-N 3.31Å; A40-V44 VanDerWaalsContact O-CG2 3.29Å; A40-V44 WeakPolarHBondContact O-CG2 3.42Å; A40-V44 PolarHBondContact O-N 2.98Å
41R94.6Very high90.2Very high137 Ų13787.3 Ų87.352%0.51747%0.468SS..Hα-helixtrans-64.1-42.1174.6-81.3-174.765.8178-6.3112.4D12 Y37 E38 A39 D43 Q45D12-R41 IonicContact OD2-CZ 3.65Å; D12-R41 IonicContact OD2-NH1 3.92Å; D12-R41 PolarHBondContact OD2-NH1 2.82Å; Y37-R41 HydrophobicContact CD1-CG 4.41Å; Y37-R41 HydrophobicContact CE1-CG 3.98Å; Y37-R41 HydrophobicContact CE2-CG 4.23Å; Y37-R41 VanDerWaalsContact CZ-CD 3.44Å; Y37-R41 WeakPolarHBondContact O-CB 3.35Å; Y37-R41 WeakPolarHBondContact O-CG 3.42Å; Y37-R41 PolarHBondContact O-N 2.85Å; Y37-R41 WeakPolarHBondContact OH-CD 3.49Å; E38-R41 PolarHBondContact O-N 3.04Å; A39-R41 VanDerWaalsContact C-N 3.25Å; A39-R41 PolarHBondContact O-N 2.83Å; R41-D43 VanDerWaalsContact C-N 3.34Å; R41-Q45 WeakPolarHBondContact O-CB 3.29Å; R41-Q45 PolarHBondContact O-N 2.8Å
42R94.7Very high88.5Confident172 Ų17288.1 Ų88.165%0.64948%0.481SS*.Hα-helixtrans-65.8-40176.8-68.6175.1-170.2-164.35.2110.9E38 A39 Q45 S46E38-R42 WeakPolarHBondContact O-CG 3.12Å; E38-R42 PolarHBondContact O-N 3.33Å; E38-R42 VanDerWaalsContact O-N 3.1Å; A39-R42 WeakPolarHBondContact O-CB 3.29Å; A39-R42 PolarHBondContact O-N 3.31Å; R42-Q45 PolarHBondContact O-N 2.98Å; R42-S46 PolarHBondContact O-N 3.16Å; R42-S46 PolarHBondContact O-OG 3.21Å
43D94.2Very high86.8Confident93 Ų9388.3 Ų88.350%0.49749%0.486SS..Hα-helixtrans-66.9-45.2178.6-64.4-18.7000111.9A39 A40 R41 Q45 S46 M47A39-D43 PolarHBondContact O-N 2.6Å; A40-D43 PolarHBondContact O-N 3.31Å; R41-D43 VanDerWaalsContact C-N 3.34Å; D43-Q45 VanDerWaalsContact C-N 3.26Å; D43-Q45 PolarHBondContact O-N 3.07Å; D43-S46 WeakPolarHBondContact CA-OG 3.33Å; D43-S46 PolarHBondContact O-N 3.4Å; D43-S46 PolarHBondContact O-OG 3.15Å; D43-M47 WeakPolarHBondContact O-CB 3.33Å; D43-M47 VanDerWaalsContact O-CG 3.23Å; D43-M47 WeakPolarHBondContact O-CG 3.23Å; D43-M47 PolarHBondContact O-N 3.39Å
44V92.8Very high85.2Confident89 Ų8992.6 Ų92.654%0.53951%0.51SS..Hα-helixtrans-61.4-39.7174.2172.10000110.5A40 M47 C48A40-V44 VanDerWaalsContact O-CG2 3.29Å; A40-V44 WeakPolarHBondContact O-CG2 3.42Å; A40-V44 PolarHBondContact O-N 2.98Å; V44-M47 PolarHBondContact O-N 2.98Å; V44-C48 WeakPolarHBondContact O-CB 3.41Å; V44-C48 PolarHBondContact O-N 3.49Å; V44-C48 PolarHBondContact O-SG 2.93Å
45Q91.7Very high83.7Confident123 Ų12399.1 Ų99.158%0.57554%0.542SS*.Hα-helixtrans-65.8-42.1177.5-173.4172.926.200112.3R41 R42 D43 N49R41-Q45 WeakPolarHBondContact O-CB 3.29Å; R41-Q45 PolarHBondContact O-N 2.8Å; R42-Q45 PolarHBondContact O-N 2.98Å; D43-Q45 VanDerWaalsContact C-N 3.26Å; D43-Q45 PolarHBondContact O-N 3.07Å; Q45-N49 WeakPolarHBondContact O-CB 3.29Å; Q45-N49 PolarHBondContact O-N 3.42Å; Q45-N49 PolarHBondContact O-ND2 3.09Å; Q45-N49 PolarHBondContact O-OD1 3.41Å
46S90.5Very high82.1Confident49 Ų4999.2 Ų99.234%0.34355%0.553SS.*Hα-helixtrans-65.4-45.2176.165.10000110.9R42 D43 C48 N49 H50R42-S46 PolarHBondContact O-N 3.16Å; R42-S46 PolarHBondContact O-OG 3.21Å; D43-S46 WeakPolarHBondContact CA-OG 3.33Å; D43-S46 PolarHBondContact O-N 3.4Å; D43-S46 PolarHBondContact O-OG 3.15Å; S46-C48 PolarHBondContact O-N 3.23Å; S46-N49 PolarHBondContact O-N 2.87Å; S46-H50 PolarHBondContact O-CD2 2.86Å; S46-H50 PolarHBondContact O-N 3.48Å
47M88.5Confident80.6Confident121 Ų121103.5 Ų103.560%0.59657%0.566SS**Hα-helixtrans-59.2-48.3175.7-69.2179.776.700111.9D43 V44 N49 H50 C51D43-M47 WeakPolarHBondContact O-CB 3.33Å; D43-M47 VanDerWaalsContact O-CG 3.23Å; D43-M47 WeakPolarHBondContact O-CG 3.23Å; D43-M47 PolarHBondContact O-N 3.39Å; V44-M47 PolarHBondContact O-N 2.98Å; M47-N49 VanDerWaalsContact C-N 3.33Å; M47-N49 PolarHBondContact O-N 3.49Å; M47-H50 PolarHBondContact O-N 3.03Å; M47-C51 VanDerWaalsContact O-CB 3.29Å; M47-C51 WeakPolarHBondContact O-CB 3.5Å; M47-C51 PolarHBondContact O-N 3.24Å; M47-C51 PolarHBondContact O-SG 3.28Å
48C85Confident79Confident81 Ų81109.1 Ų109.155%0.54760%0.597SS.*Hα-helixtrans-64.2-35.7178.3-70.60000112.9V44 S46 H50 C51V44-C48 WeakPolarHBondContact O-CB 3.41Å; V44-C48 PolarHBondContact O-N 3.49Å; V44-C48 PolarHBondContact O-SG 2.93Å; S46-C48 PolarHBondContact O-N 3.23Å; C48-H50 VanDerWaalsContact C-N 3.32Å; C48-C51 PolarHBondContact O-N 2.87Å
49N78.7Confident77.4Confident106 Ų106114.8 Ų114.857%0.56761%0.614SS**Hα-helixtrans-70-28.7176.8-71.8-7.2000112.6Q45 S46 M47 S52Q45-N49 WeakPolarHBondContact O-CB 3.29Å; Q45-N49 PolarHBondContact O-N 3.42Å; Q45-N49 PolarHBondContact O-ND2 3.09Å; Q45-N49 PolarHBondContact O-OD1 3.41Å; S46-N49 PolarHBondContact O-N 2.87Å; M47-N49 VanDerWaalsContact C-N 3.33Å; M47-N49 PolarHBondContact O-N 3.49Å; N49-S52 PolarHBondContact O-OG 3.41Å
50H68Low75.7Confident154 Ų154120.5 Ų120.571%0.71364%0.635SS**Hα-helixtrans-87-26.6175.5-64.9-55000112.9S46 M47 C48 S52S46-H50 PolarHBondContact O-CD2 2.86Å; S46-H50 PolarHBondContact O-N 3.48Å; M47-H50 PolarHBondContact O-N 3.03Å; C48-H50 VanDerWaalsContact C-N 3.32Å; H50-S52 VanDerWaalsContact C-N 3.29Å; H50-S52 PolarHBondContact O-N 3.37Å
51C60.1Low73.7Confident87 Ų87126.1 Ų126.159%0.58865%0.653SS**THydrogen-bonded Turntrans-80.62.3179.6-70.90000114.7M47 C48 A53M47-C51 VanDerWaalsContact O-CB 3.29Å; M47-C51 WeakPolarHBondContact O-CB 3.5Å; M47-C51 PolarHBondContact O-N 3.24Å; M47-C51 PolarHBondContact O-SG 3.28Å; C48-C51 PolarHBondContact O-N 2.87Å; C51-A53 CarbonylContact O-C 3.55Å; C51-A53 PolarHBondContact O-N 2.99Å; C51-A53 VanDerWaalsContact O-N 3.09Å
52S58.3Low72Confident97 Ų97124.8 Ų124.868%0.67866%0.66SS**THydrogen-bonded Turntrans-690.7174.949.30000114.5N49 H50 D54N49-S52 PolarHBondContact O-OG 3.41Å; H50-S52 VanDerWaalsContact C-N 3.29Å; H50-S52 PolarHBondContact O-N 3.37Å; S52-D54 PolarHBondContact O-N 3.05Å
53A58.2Low70Confident76 Ų76121 Ų12163%0.62866%0.656SS**SBendtrans-86.887.8157.700000108C51 I55C51-A53 CarbonylContact O-C 3.55Å; C51-A53 PolarHBondContact O-N 2.99Å; C51-A53 VanDerWaalsContact O-N 3.09Å; A53-I55 PolarHBondContact O-N 3.29Å
54D61.4Low67.7Low153 Ų153122.8 Ų122.882%0.81867%0.666SS**  trans-5295.6176.6-75.3-57.2000110.7S52 P56S52-D54 PolarHBondContact O-N 3.05Å; D54-P56 VanDerWaalsContact O-CD 3.26Å; D54-P56 WeakPolarHBondContact O-CD 3.32Å
55I63.7Low65.5Low145 Ų145124.3 Ų124.374%0.74468%0.68SS**  trans-82.8109.5153.9-56.6169.8000104.2A53 I57A53-I55 PolarHBondContact O-N 3.29Å; I55-I57 VanDerWaalsContact C-N 3.33Å; I55-I57 PolarHBondContact O-N 3.36Å
56P62.6Low63.4Low116 Ų116122.9 Ų122.975%0.75368%0.684SS**  trans-63.899.8173.824.6-30.3000107.8D54 D58D54-P56 VanDerWaalsContact O-CD 3.26Å; D54-P56 WeakPolarHBondContact O-CD 3.32Å; P56-D58 PolarHBondContact O-N 3.49Å; P56-D58 VanDerWaalsContact O-N 3.07Å
57I66.1Low61.4Low150 Ų150131 Ų13177%0.76971%0.713SS**  trans-65.2111165.9-59.7175.6000105.1I55 R59I55-I57 VanDerWaalsContact C-N 3.33Å; I55-I57 PolarHBondContact O-N 3.36Å; I57-R59 PolarHBondContact O-N 3.26Å
58D62.5Low59.4Low143 Ų143129.7 Ų129.777%0.76572%0.722SS**  trans-52.7110177.7-17130.2000108.1P56 M60P56-D58 PolarHBondContact O-N 3.49Å; P56-D58 VanDerWaalsContact O-N 3.07Å; D58-M60 PolarHBondContact O-N 2.88Å
59R60.8Low57.6Low228 Ų228131.6 Ų131.686%0.8674%0.736SS**  trans-67.8104.3172.4-73.5-173.5175.2113.21.4104.8I57 H61I57-R59 PolarHBondContact O-N 3.26Å; R59-H61 PolarHBondContact O-N 2.86Å
60M61.9Low56.1Low166 Ų166138 Ų13882%0.81875%0.752SS**  trans-48.6108.8164.8-87-177.575.400107.1D58 V62D58-M60 PolarHBondContact O-N 2.88Å; M60-V62 PolarHBondContact O-N 2.91Å
61H52.6Low55.1Low162 Ų162136.2 Ų136.275%0.7576%0.757SS**  trans-7188.5178-171.6-118.2000105.9R59 T63R59-H61 PolarHBondContact O-N 2.86Å; H61-T63 VanDerWaalsContact CE1-CG2 3.43Å; H61-T63 WeakPolarHBondContact CE1-CG2 3.37Å; H61-T63 WeakPolarHBondContact ND1-CG2 3.46Å; H61-T63 PolarHBondContact O-N 3.44Å
62V59.7Low54.4Low110 Ų110136.9 Ų136.967%0.66776%0.762SS**  trans-65.994.8165.8-170.80000105M60 D64M60-V62 PolarHBondContact O-N 2.91Å; V62-D64 PolarHBondContact O-N 3.38Å
63T52Low54Low93 Ų93139.5 Ų139.557%0.57177%0.769SS**  trans-69.873.1171.650.20000108.5H61 S65H61-T63 VanDerWaalsContact CE1-CG2 3.43Å; H61-T63 WeakPolarHBondContact CE1-CG2 3.37Å; H61-T63 WeakPolarHBondContact ND1-CG2 3.46Å; H61-T63 PolarHBondContact O-N 3.44Å; T63-S65 VanDerWaalsContact C-N 3.3Å; T63-S65 PolarHBondContact O-N 2.91Å; T63-S65 VanDerWaalsContact O-N 3.1Å
64D47.3Very low53.4Low129 Ų129140.7 Ų140.769%0.6977%0.768SS**  trans-72.6100.4154.1-74.9-33.9000105.9V62 S66V62-D64 PolarHBondContact O-N 3.38Å; D64-S66 PolarHBondContact O-N 3.22Å
65S45.3Very low52.9Low121 Ų121142.9 Ų142.985%0.84677%0.771SS**  trans-64.174.1176.6-65.60000110T63T63-S65 VanDerWaalsContact C-N 3.3Å; T63-S65 PolarHBondContact O-N 2.91Å; T63-S65 VanDerWaalsContact O-N 3.1Å
66S49.3Very low52.3Low94 Ų94139.7 Ų139.766%0.65777%0.766SS**SBendtrans-155.2104.3166.354.20000109.4D64 A68D64-S66 PolarHBondContact O-N 3.22Å; S66-A68 PolarHBondContact O-N 3.43Å
67K46.7Very low51.7Low219 Ų219139.7 Ų139.795%0.95277%0.766SS**  trans-26.4105.2166.3-83.2166.7168.41680113.7
68A46.8Very low50.5Low94 Ų94137.4 Ų137.478%0.77777%0.769SS**  trans-151.371.4155.100000110.4S66 R70S66-A68 PolarHBondContact O-N 3.43Å; A68-R70 PolarHBondContact O-N 3.1Å; A68-R70 VanDerWaalsContact O-N 3.15Å
69S47.1Very low49.7Very low121 Ų121138.5 Ų138.585%0.84677%0.774SS**  trans-74.592.6162.5660000109
70R48.9Very low48.9Very low241 Ų241134.8 Ų134.891%0.90977%0.767SS**  trans-141.4111.4161.9-71.2-166.7-174.1140.23.9112.6A68A68-R70 PolarHBondContact O-N 3.1Å; A68-R70 VanDerWaalsContact O-N 3.15Å
71S46.2Very low47.9Very low115 Ų115134 Ų13480%0.80477%0.77SS**  trans79.477.7145.8-155.30000118.1N73S71-N73 PolarHBondContact O-N 2.92Å
72S46Very low47.2Very low101 Ų101127.7 Ų127.771%0.70675%0.749SS**  trans-57.2113.4148.152.90000110.5T74S72-T74 PolarHBondContact O-N 3.01Å
73N48.3Very low46.3Very low152 Ų152125 Ų12581%0.81374%0.735SS**  trans-8691.9159.5-165.617.6000108.1S71S71-N73 PolarHBondContact O-N 2.92Å
74T46.8Very low46.4Very low101 Ų101126.5 Ų126.562%0.6274%0.739SS**  trans-65.7120.5173.242.60000110.9S72S72-T74 PolarHBondContact O-N 3.01Å
75K50.4Low46.4Very low199 Ų199122.1 Ų122.187%0.86571%0.714SS**  trans-10774.8145.7-69.5-154.4178.1-1680108.1
76A50.7Low46.3Very low78 Ų78117.6 Ų117.665%0.64568%0.684SS**  trans-67136160.200000107.5A78A76-A78 PolarHBondContact O-N 2.94Å
77P49.9Very low46.3Very low117 Ų117117.8 Ų117.876%0.7668%0.677SS**  trans-60.1137.3177.126.7-32.5000108.3L79P77-L79 PolarHBondContact O-N 2.76Å
78A41.4Very low46.7Very low101 Ų101112.7 Ų112.784%0.83568%0.676SS**  trans-53.5100.4178.800000109.8A76 H80A76-A78 PolarHBondContact O-N 2.94Å; A78-H80 PolarHBondContact O-N 2.99Å
79L46.6Very low47.5Very low166 Ų166119.3 Ų119.387%0.86968%0.681SS**  trans-61107.3167.5-83.8166.2000107P77 V81P77-L79 PolarHBondContact O-N 2.76Å; L79-V81 PolarHBondContact O-N 3.26Å
80H42.9Very low48.7Very low151 Ų151116.1 Ų116.170%0.69965%0.653SS**  trans-53104178.1178.2-82.8000110.2A78 G82A78-H80 PolarHBondContact O-N 2.99Å; H80-G82 PolarHBondContact O-N 3.39Å
81V41.5Very low49.7Very low148 Ų148109.3 Ų109.390%0.89763%0.634SS**SBendtrans-60.6100.3167.61770000107.6L79L79-V81 PolarHBondContact O-N 3.26Å
82G37.2Very low50.8Low30 Ų30110 Ų11031%0.30962%0.619SS.*  trans168.249178.400000115H80 R92H80-G82 PolarHBondContact O-N 3.39Å; G82-R92 WeakPolarHBondContact O-CD 3.32Å; G82-R92 PolarHBondContact O-NH1 3.44Å
83S41.9Very low52.2Low53 Ų53109.6 Ų109.637%0.37161%0.612SS.*  trans-161.484170.7-174.10000108.9F85S83-F85 PolarHBondContact O-N 2.99Å; S83-F85 WeakPolarHBondContact OG-CD2 3.31Å
84I53.3Low53.6Low125 Ų125109.2 Ų109.264%0.64161%0.606SS**  trans-76.664166.4-52.5179.7000106.6
85F46.4Very low55.1Low37 Ų37104.9 Ų104.916%0.16258%0.579CS.*  trans-105.9122.6174.8-82.4-91.7000107.6S83 D87 R92 C95 G109S83-F85 PolarHBondContact O-N 2.99Å; S83-F85 WeakPolarHBondContact OG-CD2 3.31Å; F85-D87 PolarHBondContact O-N 2.87Å; F85-R92 HydrophobicContact CD2-CG 4.32Å; F85-R92 HydrophobicContact CE2-CG 4Å; F85-C95 HydrophobicContact CD1-CB 3.79Å; F85-C95 WeakPolarHBondContact CD1-SG 3.29Å; F85-C95 HydrophobicContact CE1-CB 3.8Å; F85-C95 WeakPolarHBondContact CE1-SG 3.42Å; F85-C95 HydrophobicContact CG-CB 4.44Å; F85-G109 WeakPolarHBondContact CE1-O 3.37Å; F85-G109 WeakPolarHBondContact CZ-O 3.41Å
86A44.5Very low56.6Low27 Ų27100.9 Ų100.922%0.22358%0.576CS.*SBendtrans-52.2137.3174.100000109.7H90 W113 A114A86-H90 PolarHBondContact O-CE1 2.59Å; A86-W113 HydrophobicContact CB-CH2 3.53Å; A86-W113 HydrophobicContact CB-CZ2 3.55Å; A86-W113 HydrophobicContact CB-CZ3 4.24Å; A86-A114 HydrophobicContact CB-CB 3.87Å
87D49.7Very low58.1Low97 Ų97101 Ų10152%0.51956%0.562SS.*SBendtrans69.2103-173.8-47.7-43.2000113.4F85 R89F85-D87 PolarHBondContact O-N 2.87Å; D87-R89 PolarHBondContact O-N 3.18Å
88A54.5Low59.6Low112 Ų112100.6 Ų100.693%0.92655%0.549SS*.THydrogen-bonded Turntrans-6121.8172.300000114.4
89R63.7Low61.5Low233 Ų233102.4 Ų102.488%0.87954%0.544SS*.THydrogen-bonded Turntrans-103.93.1-173.2-59-165-171.3-154.44.7114D87D87-R89 PolarHBondContact O-N 3.18Å
90H71.5Confident63.3Low55 Ų5595.8 Ų95.826%0.25551%0.514SS..SBendtrans-149.7149.9175.361.4-84.7000111.8A86 Q94 C95A86-H90 PolarHBondContact O-CE1 2.59Å; H90-Q94 HydrophobicContact CB-CB 4.23Å; H90-C95 WeakPolarHBondContact CD2-CA 3.38Å; H90-C95 VanDerWaalsContact CD2-CB 3.49Å; H90-C95 WeakPolarHBondContact CD2-CB 3.39Å; H90-C95 PolarHBondContact CD2-N 3.14Å; H90-C95 VanDerWaalsContact NE2-CA 3.32Å; H90-C95 WeakPolarHBondContact NE2-CA 3.44Å; H90-C95 WeakPolarHBondContact NE2-CB 3.09Å; H90-C95 PolarHBondContact NE2-SG 2.88Å
91D70.7Confident65.4Low97 Ų9798.4 Ų98.452%0.51952%0.518SS..  trans-67.6155.1173.4-179.237.6000110.9T93 Q94 C95D91-T93 PolarHBondContact O-N 2.73Å; D91-T93 WeakPolarHBondContact OD2-CB 3.15Å; D91-T93 WeakPolarHBondContact OD2-CG2 3.32Å; D91-T93 PolarHBondContact OD2-N 3.47Å; D91-T93 PolarHBondContact OD2-OG1 2.73Å; D91-Q94 WeakPolarHBondContact O-CA 3.42Å; D91-Q94 PolarHBondContact O-N 3.28Å; D91-C95 PolarHBondContact O-N 3.4Å
92R69.4Low67.7Low130 Ų13091.4 Ų91.449%0.49148%0.475SS..THydrogen-bonded Turntrans-55.6-28.2179.3-168.4178.9180-170.9-3.2112.1G82 F85G82-R92 WeakPolarHBondContact O-CD 3.32Å; G82-R92 PolarHBondContact O-NH1 3.44Å; F85-R92 HydrophobicContact CD2-CG 4.32Å; F85-R92 HydrophobicContact CE2-CG 4Å
93T75.7Confident70.2Confident92 Ų9293.9 Ų93.956%0.56449%0.488SS*.THydrogen-bonded Turntrans-72.1-30.4175.962.70000113.2D91D91-T93 PolarHBondContact O-N 2.73Å; D91-T93 WeakPolarHBondContact OD2-CB 3.15Å; D91-T93 WeakPolarHBondContact OD2-CG2 3.32Å; D91-T93 PolarHBondContact OD2-N 3.47Å; D91-T93 PolarHBondContact OD2-OG1 2.73Å
94Q76.8Confident72.4Confident145 Ų14594.9 Ų94.968%0.67848%0.484SS*.SBendtrans-96.67.2-177.1-63.7-164.20.400113.7H90 D91 S96H90-Q94 HydrophobicContact CB-CB 4.23Å; D91-Q94 WeakPolarHBondContact O-CA 3.42Å; D91-Q94 PolarHBondContact O-N 3.28Å; Q94-S96 PolarHBondContact O-N 2.88Å
95C78.4Confident74.1Confident9 Ų989.9 Ų89.96%0.06146%0.46CS..  trans-69.1120.3178.9-172.70000112.1F85 H90 D91 F97 K98F85-C95 HydrophobicContact CD1-CB 3.79Å; F85-C95 WeakPolarHBondContact CD1-SG 3.29Å; F85-C95 HydrophobicContact CE1-CB 3.8Å; F85-C95 WeakPolarHBondContact CE1-SG 3.42Å; F85-C95 HydrophobicContact CG-CB 4.44Å; H90-C95 WeakPolarHBondContact CD2-CA 3.38Å; H90-C95 VanDerWaalsContact CD2-CB 3.49Å; H90-C95 WeakPolarHBondContact CD2-CB 3.39Å; H90-C95 PolarHBondContact CD2-N 3.14Å; H90-C95 VanDerWaalsContact NE2-CA 3.32Å; H90-C95 WeakPolarHBondContact NE2-CA 3.44Å; H90-C95 WeakPolarHBondContact NE2-CB 3.09Å; H90-C95 PolarHBondContact NE2-SG 2.88Å; D91-C95 PolarHBondContact O-N 3.4Å; C95-F97 PolarHBondContact O-N 3.5Å; C95-F97 VanDerWaalsContact O-N 3.13Å; C95-F97 PolarHBondContact SG-N 3.46Å; C95-K98 HydrophobicContact CB-CB 4.35Å; C95-K98 WeakPolarHBondContact O-CB 3.34Å; C95-K98 PolarHBondContact O-N 3.3Å
96S82.1Confident76Confident115 Ų11595.1 Ų95.180%0.80449%0.485SS*.THydrogen-bonded Turntrans-57.4-26171.7-47.70000112.7Q94Q94-S96 PolarHBondContact O-N 2.88Å
97F81.6Confident78Confident80 Ų80101.8 Ų101.835%0.35150%0.504SS..THydrogen-bonded Turntrans-95.411.3177.8-54.4-68.1000114.2C95 N99 A100 G109 V111C95-F97 PolarHBondContact O-N 3.5Å; C95-F97 VanDerWaalsContact O-N 3.13Å; C95-F97 PolarHBondContact SG-N 3.46Å; F97-N99 PolarHBondContact O-N 2.95Å; F97-A100 HydrophobicContact CB-CB 3.99Å; F97-A100 HydrophobicContact CD1-CB 4.11Å; F97-A100 WeakPolarHBondContact O-CB 3.38Å; F97-A100 PolarHBondContact O-N 2.95Å; F97-G109 CarbonylContact O-C 3.57Å; F97-G109 WeakPolarHBondContact O-CA 3.4Å; F97-V111 HydrophobicContact CB-CG1 4.5Å; F97-V111 HydrophobicContact CD1-CB 4.32Å; F97-V111 HydrophobicContact CD1-CG1 3.33Å; F97-V111 HydrophobicContact CD1-CG2 3.95Å; F97-V111 HydrophobicContact CD2-CG2 4.06Å; F97-V111 HydrophobicContact CE1-CG1 3.66Å; F97-V111 HydrophobicContact CE1-CG2 4.09Å; F97-V111 HydrophobicContact CE2-CG2 4.2Å; F97-V111 HydrophobicContact CG-CG1 4Å; F97-V111 HydrophobicContact CG-CG2 3.92Å; F97-V111 HydrophobicContact CZ-CG2 4.21Å
98K81.6Confident79.7Confident109 Ų109100.4 Ų100.447%0.47451%0.506SS..THydrogen-bonded Turntrans-52.9-40.4-179-179.9-179.8177.7-175.40113C95 G109C95-K98 HydrophobicContact CB-CB 4.35Å; C95-K98 WeakPolarHBondContact O-CB 3.34Å; C95-K98 PolarHBondContact O-N 3.3Å; K98-G109 VanDerWaalsContact O-CA 3.29Å; K98-G109 WeakPolarHBondContact O-CA 3.42Å; K98-G109 PolarHBondContact O-N 2.92Å
99N81.3Confident81.2Confident139 Ų13995.6 Ų95.674%0.74347%0.468SS*.THydrogen-bonded Turntrans-103.31.4179.6-61.5-27.9000113.2F97F97-N99 PolarHBondContact O-N 2.95Å
100A84.5Confident82.3Confident28 Ų2886 Ų8623%0.23143%0.432CS..PPolyproline II helixtrans-71.5132.7179.500000110.3F97 A108 G109 V111F97-A100 HydrophobicContact CB-CB 3.99Å; F97-A100 HydrophobicContact CD1-CB 4.11Å; F97-A100 WeakPolarHBondContact O-CB 3.38Å; F97-A100 PolarHBondContact O-N 2.95Å; A100-A108 CarbonylContact O-C 3.52Å; A100-A108 WeakPolarHBondContact O-CA 3.39Å; A100-G109 PolarHBondContact O-N 3.45Å; A100-V111 HydrophobicContact CB-CG1 4.14Å
101R87.1Confident83Confident206 Ų20684.8 Ų84.878%0.77743%0.429SS*.BIsolated β-bridgetrans-86.2126.4173.2-78-177.7165.5176.3-3.9109.8S103R101-S103 PolarHBondContact O-N 2.91Å
102C89.4Confident83.6Confident1 Ų183.8 Ų83.81%0.00742%0.421CS..PPolyproline II helixtrans-67.2125.6175.2175.40000111.1Y104 C105 H106 R107 H110 C115C102-Y104 PolarHBondContact O-N 3.36Å; C102-Y104 PolarHBondContact SG-N 2.99Å; C102-Y104 VanDerWaalsContact SG-N 3.42Å; C102-C105 PolarHBondContact SG-N 3.27Å; C102-H106 WeakPolarHBondContact O-CA 3.39Å; C102-H106 PolarHBondContact O-N 3.32Å; C102-R107 WeakPolarHBondContact CB-O 3.33Å; C102-R107 PolarHBondContact N-O 3.48Å; C102-H110 WeakPolarHBondContact CA-O 3.25Å; C102-H110 VanDerWaalsContact CB-NE2 3.3Å; C102-H110 WeakPolarHBondContact CB-NE2 3.47Å; C102-H110 WeakPolarHBondContact CB-O 3.48Å; C102-H110 PolarHBondContact N-O 2.95Å; C102-H110 PolarHBondContact SG-NE2 3.42Å; C102-C115 VanDerWaalsContact SG-SG 3.65Å
103S89.6Confident84.3Confident81 Ų8184.6 Ų84.657%0.56643%0.425SS*.THydrogen-bonded Turntrans-66.1-19.8178.2-43.70000114.3R101 H106R101-S103 PolarHBondContact O-N 2.91Å; S103-H106 PolarHBondContact O-CE1 3.24Å
104Y89.3Confident84.6Confident75 Ų7580.7 Ų80.729%0.29440%0.401SS..THydrogen-bonded Turntrans-92.9-45.2-178.7176.9-83.3000113.1C102 K117 K118 E121C102-Y104 PolarHBondContact O-N 3.36Å; C102-Y104 PolarHBondContact SG-N 2.99Å; C102-Y104 VanDerWaalsContact SG-N 3.42Å; Y104-K117 HydrophobicContact CD1-CB 4.05Å; Y104-K117 HydrophobicContact CE1-CB 3.46Å; Y104-K117 VanDerWaalsContact CE1-CB 3.46Å; Y104-K117 HydrophobicContact CE1-CD 4.35Å; Y104-K118 HydrophobicContact CD1-CB 4.16Å; Y104-K118 HydrophobicContact CD2-CB 4.16Å; Y104-K118 HydrophobicContact CD2-CG 4.24Å; Y104-K118 HydrophobicContact CE1-CB 4.38Å; Y104-K118 HydrophobicContact CE2-CB 4.32Å; Y104-K118 HydrophobicContact CE2-CG 4.41Å; Y104-K118 HydrophobicContact CG-CB 4.08Å; Y104-E121 PolarHBondContact OH-OE1 3.48Å; Y104-E121 VanDerWaalsContact OH-OE1 3.05Å; Y104-E121 PolarHBondContact OH-OE2 2.72Å
105C87.9Confident85.1Confident20 Ų2073.8 Ų73.814%0.13537%0.369CS..THydrogen-bonded Turntrans-110-0.2-177.578.50000114.6C102 R107 H110 K117C102-C105 PolarHBondContact SG-N 3.27Å; C105-R107 PolarHBondContact O-N 3.16Å; C105-H110 PolarHBondContact SG-CE1 2.56Å; C105-H110 PolarHBondContact SG-NE2 3.42Å; C105-K117 HydrophobicContact CB-CD 3.99Å
106H87Confident85.3Confident147 Ų14780.1 Ų80.168%0.68139%0.393SS*.  trans56.318.6179.7-51.9-64.5000115.6C102 S103C102-H106 WeakPolarHBondContact O-CA 3.39Å; C102-H106 PolarHBondContact O-N 3.32Å; S103-H106 PolarHBondContact O-CE1 3.24Å
107R85.6Confident85.4Confident166 Ų16679.5 Ų79.563%0.62638%0.376SS*.  trans-93.9144.5175.1-63.3-179.3179.4-169.5-3.5110.3C102 C105C102-R107 WeakPolarHBondContact CB-O 3.33Å; C102-R107 PolarHBondContact N-O 3.48Å; C105-R107 PolarHBondContact O-N 3.16Å
108A86.1Confident85.6Confident68 Ų6878.4 Ų78.456%0.56237%0.371SS*.BIsolated β-bridgetrans-76.1153.1175.300000111.6A100A100-A108 CarbonylContact O-C 3.52Å; A100-A108 WeakPolarHBondContact O-CA 3.39Å
109G85.8Confident85.6Confident12 Ų1278.1 Ų78.112%0.12437%0.371CS..SBendtrans93.421.217400000114.8F85 F97 K98 A100F85-G109 WeakPolarHBondContact CE1-O 3.37Å; F85-G109 WeakPolarHBondContact CZ-O 3.41Å; F97-G109 CarbonylContact O-C 3.57Å; F97-G109 WeakPolarHBondContact O-CA 3.4Å; K98-G109 VanDerWaalsContact O-CA 3.29Å; K98-G109 WeakPolarHBondContact O-CA 3.42Å; K98-G109 PolarHBondContact O-N 2.92Å; A100-G109 PolarHBondContact O-N 3.45Å
110H86.5Confident85.4Confident30 Ų3074.9 Ų74.914%0.13936%0.359CS..  trans-168.1164.9163.761.8-73.9000109.7C102 C105 A114 C115C102-H110 WeakPolarHBondContact CA-O 3.25Å; C102-H110 VanDerWaalsContact CB-NE2 3.3Å; C102-H110 WeakPolarHBondContact CB-NE2 3.47Å; C102-H110 WeakPolarHBondContact CB-O 3.48Å; C102-H110 PolarHBondContact N-O 2.95Å; C102-H110 PolarHBondContact SG-NE2 3.42Å; C105-H110 PolarHBondContact SG-CE1 2.56Å; C105-H110 PolarHBondContact SG-NE2 3.42Å; H110-A114 HydrophobicContact CB-CB 4.43Å; H110-C115 VanDerWaalsContact CD2-CA 3.49Å; H110-C115 WeakPolarHBondContact CD2-CA 3.36Å; H110-C115 PolarHBondContact NE2-SG 2.98Å; H110-C115 VanDerWaalsContact NE2-SG 3.37Å
111V85.8Confident84.9Confident30 Ų3079.1 Ų79.118%0.18237%0.374CS..  trans-104.3160.7177.5-84.70000110.9F97 A100 W113 A114 C115F97-V111 HydrophobicContact CB-CG1 4.5Å; F97-V111 HydrophobicContact CD1-CB 4.32Å; F97-V111 HydrophobicContact CD1-CG1 3.33Å; F97-V111 HydrophobicContact CD1-CG2 3.95Å; F97-V111 HydrophobicContact CD2-CG2 4.06Å; F97-V111 HydrophobicContact CE1-CG1 3.66Å; F97-V111 HydrophobicContact CE1-CG2 4.09Å; F97-V111 HydrophobicContact CE2-CG2 4.2Å; F97-V111 HydrophobicContact CG-CG1 4Å; F97-V111 HydrophobicContact CG-CG2 3.92Å; F97-V111 HydrophobicContact CZ-CG2 4.21Å; A100-V111 HydrophobicContact CB-CG1 4.14Å; V111-W113 HydrophobicContact CG2-CG 4.43Å; V111-W113 PolarHBondContact O-N 2.95Å; V111-W113 VanDerWaalsContact O-N 3.09Å; V111-A114 HydrophobicContact CG2-CB 4.44Å; V111-A114 CarbonylContact O-C 3.59Å; V111-A114 PolarHBondContact O-N 3.43Å; V111-C115 PolarHBondContact O-N 3.47Å
112Q84.9Confident83.8Confident77 Ų7774.1 Ų74.136%0.3636%0.36SS..G310 helixtrans-54-34.7-170.7-177.4178.5-7.200114.2C115 K118Q112-C115 WeakPolarHBondContact O-CB 3.23Å; Q112-C115 PolarHBondContact O-N 2.95Å; Q112-K118 HydrophobicContact CG-CD 3.92Å
113W82.8Confident82.5Confident147 Ų14777.4 Ų77.456%0.55739%0.394SS*.G310 helixtrans-70.4-31178.673.9-79.9000113.3A86 V111 C115 Q119A86-W113 HydrophobicContact CB-CH2 3.53Å; A86-W113 HydrophobicContact CB-CZ2 3.55Å; A86-W113 HydrophobicContact CB-CZ3 4.24Å; V111-W113 HydrophobicContact CG2-CG 4.43Å; V111-W113 PolarHBondContact O-N 2.95Å; V111-W113 VanDerWaalsContact O-N 3.09Å; W113-C115 VanDerWaalsContact C-N 3.34Å; W113-Q119 PolarHBondContact O-NE2 3.23Å
114A83.1Confident80.9Confident9 Ų980.5 Ų80.57%0.07440%0.404CS..G310 helixtrans-89.22.4176.400000113A86 H110 V111 Y116A86-A114 HydrophobicContact CB-CB 3.87Å; H110-A114 HydrophobicContact CB-CB 4.43Å; V111-A114 HydrophobicContact CG2-CB 4.44Å; V111-A114 CarbonylContact O-C 3.59Å; V111-A114 PolarHBondContact O-N 3.43Å; A114-Y116 PolarHBondContact O-N 3.16Å
115C86.7Confident79.2Confident1 Ų186.8 Ų86.81%0.00743%0.427CS..  trans-71.8114.3-177.2-170.80000111.5C102 H110 V111 Q112 W113 K117 K118 Q119C102-C115 VanDerWaalsContact SG-SG 3.65Å; H110-C115 VanDerWaalsContact CD2-CA 3.49Å; H110-C115 WeakPolarHBondContact CD2-CA 3.36Å; H110-C115 PolarHBondContact NE2-SG 2.98Å; H110-C115 VanDerWaalsContact NE2-SG 3.37Å; V111-C115 PolarHBondContact O-N 3.47Å; Q112-C115 WeakPolarHBondContact O-CB 3.23Å; Q112-C115 PolarHBondContact O-N 2.95Å; W113-C115 VanDerWaalsContact C-N 3.34Å; C115-K117 VanDerWaalsContact C-N 3.26Å; C115-K117 PolarHBondContact O-N 3.18Å; C115-K118 HydrophobicContact CB-CB 4.13Å; C115-K118 PolarHBondContact O-N 3.5Å; C115-K118 VanDerWaalsContact O-N 3.11Å; C115-Q119 WeakPolarHBondContact O-CG 3.4Å; C115-Q119 PolarHBondContact O-N 2.84Å
116Y83.4Confident77.2Confident142 Ų14292 Ų9256%0.55746%0.461SS*.Hα-helixtrans-54.9-40.6178.1-175.5-93.8000112.8A114 K118 Q119 S120A114-Y116 PolarHBondContact O-N 3.16Å; Y116-K118 VanDerWaalsContact C-N 3.35Å; Y116-K118 PolarHBondContact O-N 3.39Å; Y116-Q119 PolarHBondContact O-N 3.24Å; Y116-S120 PolarHBondContact O-N 2.7Å; Y116-S120 PolarHBondContact O-OG 3.32Å
117K83.9Confident75.5Confident101 Ų10195.6 Ų95.644%0.43947%0.468SS..Hα-helixtrans-61.4-41.3178.9-65.8-169.5175.4-169.30112.4Y104 C105 C115 S120 E121Y104-K117 HydrophobicContact CD1-CB 4.05Å; Y104-K117 HydrophobicContact CE1-CB 3.46Å; Y104-K117 VanDerWaalsContact CE1-CB 3.46Å; Y104-K117 HydrophobicContact CE1-CD 4.35Å; C105-K117 HydrophobicContact CB-CD 3.99Å; C115-K117 VanDerWaalsContact C-N 3.26Å; C115-K117 PolarHBondContact O-N 3.18Å; K117-S120 PolarHBondContact O-OG 3.19Å; K117-E121 PolarHBondContact O-N 3.11Å
118K86.3Confident73.7Confident58 Ų5897 Ų9725%0.25248%0.482SS..Hα-helixtrans-69-40.3177.4-171.2-175.6177.7-168.70111.5Y104 Q112 C115 Y116 E121 H122Y104-K118 HydrophobicContact CD1-CB 4.16Å; Y104-K118 HydrophobicContact CD2-CB 4.16Å; Y104-K118 HydrophobicContact CD2-CG 4.24Å; Y104-K118 HydrophobicContact CE1-CB 4.38Å; Y104-K118 HydrophobicContact CE2-CB 4.32Å; Y104-K118 HydrophobicContact CE2-CG 4.41Å; Y104-K118 HydrophobicContact CG-CB 4.08Å; Q112-K118 HydrophobicContact CG-CD 3.92Å; C115-K118 HydrophobicContact CB-CB 4.13Å; C115-K118 PolarHBondContact O-N 3.5Å; C115-K118 VanDerWaalsContact O-N 3.11Å; Y116-K118 VanDerWaalsContact C-N 3.35Å; Y116-K118 PolarHBondContact O-N 3.39Å; K118-E121 PolarHBondContact O-N 3.22Å; K118-H122 PolarHBondContact O-N 2.64Å; K118-H122 VanDerWaalsContact O-N 3.08Å; K118-H122 PolarHBondContact O-ND1 2.91Å; K118-H122 VanDerWaalsContact O-ND1 3.14Å
119Q80.2Confident71.8Confident103 Ų10398.9 Ų98.948%0.48149%0.491SS..Hα-helixtrans-64.6-39177.9-68.7178.610.800111.8W113 C115 Y116 E121 H122 G123W113-Q119 PolarHBondContact O-NE2 3.23Å; C115-Q119 WeakPolarHBondContact O-CG 3.4Å; C115-Q119 PolarHBondContact O-N 2.84Å; Y116-Q119 PolarHBondContact O-N 3.24Å; Q119-E121 VanDerWaalsContact C-N 3.32Å; Q119-E121 PolarHBondContact O-N 3.46Å; Q119-H122 PolarHBondContact O-N 3.1Å; Q119-G123 PolarHBondContact O-N 3.33Å
120S77Confident69.8Low71 Ų71105.2 Ų105.250%0.49753%0.527SS..Hα-helixtrans-66.3-31.5175.7530000113.5Y116 K117Y116-S120 PolarHBondContact O-N 2.7Å; Y116-S120 PolarHBondContact O-OG 3.32Å; K117-S120 PolarHBondContact O-OG 3.19Å
121E73.7Confident67.5Low116 Ų116106.9 Ų106.954%0.54255%0.553SS.*Hα-helixtrans-76.9-38.2176.6-74.8-174.2163.800112.9Y104 K117 K118 Q119Y104-E121 PolarHBondContact OH-OE1 3.48Å; Y104-E121 VanDerWaalsContact OH-OE1 3.05Å; Y104-E121 PolarHBondContact OH-OE2 2.72Å; K117-E121 PolarHBondContact O-N 3.11Å; K118-E121 PolarHBondContact O-N 3.22Å; Q119-E121 VanDerWaalsContact C-N 3.32Å; Q119-E121 PolarHBondContact O-N 3.46Å
122H65.8Low65.2Low102 Ų102114.8 Ų114.847%0.47259%0.585SS.*Hα-helixtrans-81.9-21.3-179.1-7258.1000113K118 Q119 N124 R125K118-H122 PolarHBondContact O-N 2.64Å; K118-H122 VanDerWaalsContact O-N 3.08Å; K118-H122 PolarHBondContact O-ND1 2.91Å; K118-H122 VanDerWaalsContact O-ND1 3.14Å; Q119-H122 PolarHBondContact O-N 3.1Å; H122-N124 PolarHBondContact O-N 3.33Å; H122-N124 VanDerWaalsContact O-N 3.15Å; H122-R125 PolarHBondContact O-N 2.93Å
123G62Low63.3Low70 Ų70119 Ų11972%0.72261%0.61SS**THydrogen-bonded Turntrans-67-8177.600000115Q119Q119-G123 PolarHBondContact O-N 3.33Å
124N56Low61.6Low145 Ų145119.5 Ų119.578%0.77562%0.622SS**THydrogen-bonded Turntrans-105.68.2178.6-149.910.7000114H122H122-N124 PolarHBondContact O-N 3.33Å; H122-N124 VanDerWaalsContact O-N 3.15Å
125R52.7Low59.7Low207 Ų207124.1 Ų124.178%0.78165%0.649SS**SBendtrans-116.2120.1170.4-75.2-173.9164.6-168.6-4.7109.5H122 R127H122-R125 PolarHBondContact O-N 2.93Å; R125-R127 PolarHBondContact O-N 3.21Å
126P46.9Very low57.4Low130 Ų130135.6 Ų135.684%0.84469%0.692SS**  trans-60.6112.6169.124.6-29.3000107.6E128P126-E128 PolarHBondContact O-N 3.31Å; P126-E128 VanDerWaalsContact O-N 3.14Å
127R49.3Very low55Low223 Ų223132.5 Ų132.584%0.84270%0.703SS**  trans-70.9105.9170.5-92-177.3161-172.5-7.7107.6R125 S129R125-R127 PolarHBondContact O-N 3.21Å; R127-S129 PolarHBondContact O-N 3.43Å
128E48.7Very low52.7Low194 Ų194137.5 Ų137.591%0.90772%0.719SS**  trans-59.4121.9166.1-148.4168.6-171.800108.4P126P126-E128 PolarHBondContact O-N 3.31Å; P126-E128 VanDerWaalsContact O-N 3.14Å
129S46.4Very low50.5Low108 Ų108142.5 Ų142.576%0.75575%0.747SS**  trans-82.6124-170.8490000111.4R127R127-S129 PolarHBondContact O-N 3.43Å
130T44.6Very low48.7Very low145 Ų145145.4 Ų145.489%0.8976%0.755SS**  trans-112.999.8155.425.40000109.3
131G36.4Very low46.7Very low65 Ų65148 Ų14867%0.6777%0.772SS**SBendtrans58.3120.713900000120
132K39.5Very low44.9Very low197 Ų197153.3 Ų153.386%0.85779%0.787SS**  trans89.2102.6161.9-53.3164.9-175.71750113.4
133D44.2Very low43.8Very low165 Ų165155.1 Ų155.188%0.88281%0.805SS**  -174.1128.5117.4-82-30.6000110.2
134I46.8Very low42.9Very low158 Ų158158.7 Ų158.781%0.8181%0.808SS**  trans-84.9151.6-178.8-52.3176.5000107.2
135V43.6Very low42.2Very low106 Ų106158.5 Ų158.564%0.64281%0.811SS**  trans99.4112.1154.5-166.50000117
136R37.9Very low41.8Very low242 Ų242153.6 Ų153.691%0.91381%0.809SS**  trans83.9105.2149.2-79.8168.9175.2135.5-2.9119.6
137G33Very low41.7Very low77 Ų77158.7 Ų158.779%0.79481%0.811SS**  110.472.5126.700000116.1I139G137-I139 PolarHBondContact O-N 3.11Å
138R36.5Very low41.1Very low205 Ų205157.4 Ų157.477%0.77482%0.815SS**  trans-77.4112.8158.6-77174.5-175.7-172.94.3109.4Y140R138-Y140 HydrophobicContact CB-CE1 4.45Å; R138-Y140 HydrophobicContact CB-CE2 4.18Å; R138-Y140 WeakPolarHBondContact CD-OH 3.45Å; R138-Y140 HydrophobicContact CG-CE1 4.02Å; R138-Y140 HydrophobicContact CG-CE2 4.13Å; R138-Y140 VanDerWaalsContact CG-OH 3.26Å; R138-Y140 WeakPolarHBondContact CG-OH 3.5Å; R138-Y140 PolarHBondContact NE-OH 3.44Å
139I40.1Very low40.7Very low163 Ų163152.6 Ų152.684%0.83681%0.808SS**  trans-132.5110.7145.3-59179000106.3G137G137-I139 PolarHBondContact O-N 3.11Å
140Y41Very low40.6Very low164 Ų164153.6 Ų153.664%0.64381%0.812SS**  trans-107.8123.1163.5-11.2-93.5000107.1R138R138-Y140 HydrophobicContact CB-CE1 4.45Å; R138-Y140 HydrophobicContact CB-CE2 4.18Å; R138-Y140 WeakPolarHBondContact CD-OH 3.45Å; R138-Y140 HydrophobicContact CG-CE1 4.02Å; R138-Y140 HydrophobicContact CG-CE2 4.13Å; R138-Y140 VanDerWaalsContact CG-OH 3.26Å; R138-Y140 WeakPolarHBondContact CG-OH 3.5Å; R138-Y140 PolarHBondContact NE-OH 3.44Å
141C35.4Very low40.9Very low127 Ų127153.5 Ų153.586%0.85881%0.811SS**  trans-100.6107.1153.6-102.10000107.8
142R36.4Very low41.4Very low227 Ų227159.9 Ų159.986%0.85782%0.821SS**  trans-65.9123.5167.8-83.6174.6167.9178.6-4109
143T43.3Very low41.9Very low140 Ų140157.7 Ų157.786%0.85982%0.819SS**  trans-121.584.914853.60000107.8
144N41.3Very low41.6Very low144 Ų144159.7 Ų159.777%0.7781%0.814SS**  trans-117.1108.3167.1-95.6-21.5000106.8
145V42.8Very low41.4Very low141 Ų141162.5 Ų162.586%0.85581%0.814SS**  trans-163.9127.4142.4176.30000105.3
146S43.3Very low41.1Very low105 Ų105169.4 Ų169.473%0.73483%0.829SS**  cis-164.6131.3-18.2-89.60000103.6
147R44.5Very low41.1Very low236 Ų236163.2 Ų163.289%0.89182%0.818SS**  trans-68.3139.5169.1-72.6179.8-177.8-176.60.8109
148Q36.5Very low41.3Very low197 Ų197171.3 Ų171.392%0.92182%0.824SS**  trans-57.5144.1177.5-63.1161.910.500111.7
149A41.8Very low41.4Very low92 Ų92169.2 Ų169.276%0.7682%0.823SS**  trans-135136.5154.100000108.6
150P43.5Very low41.3Very low130 Ų130168.7 Ų168.784%0.84482%0.815SS**  trans-91.5133.1-165.834.9-30.6000110.8
151T50.6Low41.2Very low142 Ų142167.1 Ų167.187%0.87183%0.826SS**  trans-132148.916061.10000110.6
152K47Very low41.5Very low200 Ų200168 Ų16887%0.8782%0.817SS**  trans-71.2143.3-156.1-63.1163.6176.7175.60111.3
153N49.4Very low41.6Very low151 Ų151162 Ų16281%0.80781%0.81SS**  trans6492.7141.5-148.813000116.8
154R39.5Very low41.7Very low207 Ų207159.1 Ų159.178%0.78180%0.796SS**  167.8125.3119.6-96.1177.7171.2-174.8-1.4111.1
155R41.9Very low41.9Very low217 Ų217162.6 Ų162.682%0.81980%0.8SS**  trans58.1115.4145.2-60.5-174-174.9-172.81.1118.2V157R155-V157 PolarHBondContact O-N 3.32Å
156R36.5Very low41.9Very low251 Ų251161.3 Ų161.395%0.94780%0.796SS**  trans-44.3115.3158-70.9177.7-178.7-165.10.1111
157V39Very low41.7Very low112 Ų112162.2 Ų162.268%0.67979%0.793SS**  trans-149.1132.6143.2-173.90000108R155 H159R155-V157 PolarHBondContact O-N 3.32Å; V157-H159 PolarHBondContact O-N 3.43Å
158R36.3Very low41.7Very low246 Ų246161.9 Ų161.993%0.92879%0.791SS**  trans-69.6118.3168-69.2173.5167.7-177.9-4.4108.6
159H38.8Very low42Very low161 Ų161163.5 Ų163.575%0.74579%0.789SS**  trans-125.6110.9163.9-84.2-92.6000106V157V157-H159 PolarHBondContact O-N 3.43Å
160F39.2Very low42Very low153 Ų153166.8 Ų166.867%0.67179%0.793SS**  58.710072.7-147-65.5000111.9Q162F160-Q162 HydrophobicContact CD1-CB 3.46Å; F160-Q162 VanDerWaalsContact CD1-CB 3.46Å; F160-Q162 HydrophobicContact CD1-CG 3.8Å; F160-Q162 VanDerWaalsContact CD1-N 3.29Å; F160-Q162 HydrophobicContact CE1-CB 3.34Å; F160-Q162 VanDerWaalsContact CE1-CD 3.45Å; F160-Q162 HydrophobicContact CE1-CG 3.22Å; F160-Q162 HydrophobicContact CZ-CG 4.06Å
161C38.1Very low42.3Very low130 Ų130165 Ų16588%0.87878%0.782SS**  trans-94.199.3159.1-167.20000107.4
162Q41.2Very low41.7Very low145 Ų145166.9 Ų166.968%0.67878%0.778SS**  trans-98.2166165.5-133.9154.765.600105.6F160F160-Q162 HydrophobicContact CD1-CB 3.46Å; F160-Q162 VanDerWaalsContact CD1-CB 3.46Å; F160-Q162 HydrophobicContact CD1-CG 3.8Å; F160-Q162 VanDerWaalsContact CD1-N 3.29Å; F160-Q162 HydrophobicContact CE1-CB 3.34Å; F160-Q162 VanDerWaalsContact CE1-CD 3.45Å; F160-Q162 HydrophobicContact CE1-CG 3.22Å; F160-Q162 HydrophobicContact CZ-CG 4.06Å
163S39.6Very low41.9Very low101 Ų101162.9 Ų162.971%0.70677%0.771SS**  trans90.9127.4170.7-147.80000112
164S45.4Very low41.8Very low81 Ų81166.8 Ų166.857%0.56677%0.774SS**  cis-174.5143.620.4-6.50000109.9
165Y46.1Very low42.4Very low216 Ų216161.6 Ų161.685%0.84778%0.775SS**  trans59123.1147.1-55.6-66.7000117.6
166C42.2Very low42.4Very low114 Ų114154.6 Ų154.677%0.7777%0.771SS**  cis-154.2126.632.1-63.30000107.2
167D38Very low43.1Very low124 Ų124154.7 Ų154.766%0.66377%0.771SS**  54.796.288-158.910.8000114.5
168R44.7Very low43.2Very low230 Ų230152.6 Ų152.687%0.86877%0.772SS**  -178.4118112.5-95.1173.6-133.9-141.92.6112.6
169R42.6Very low43.5Very low231 Ų231150.1 Ų150.187%0.87277%0.768SS**  trans-19.3122.6158.1-62168.2-176.6-138-1115.7
170L41.8Very low43.5Very low160 Ų160149 Ų14984%0.83878%0.777SS**  18.2157.4110-81.5175.4000118.1
171P51.6Low43.7Very low94 Ų94146.2 Ų146.261%0.6178%0.775SS**  cis-152.4-166-0.835.6-10.5000116.9
172F37.3Very low44Very low180 Ų180150.7 Ų150.779%0.78978%0.78SS**  trans97.2131.8134.9-111.4-106.1000119.3
173T51.4Low43.9Very low117 Ų117147 Ų14772%0.71878%0.781SS**  trans75.5146.3156.9710000118.1
174R46.9Very low44.1Very low233 Ų233155.3 Ų155.388%0.87980%0.797SS**  cis179.1146.9-3161.1176-175.3174.22.4106.9
175A52.3Low44.2Very low98 Ų98154.8 Ų154.881%0.8181%0.805SS**  trans83.1135.4152.900000122.1
176G42.2Very low44.5Very low70 Ų70154.2 Ų154.272%0.72281%0.81SS**  trans117.980163.300000112.3
177R51.1Low45Very low253 Ų253154.5 Ų154.596%0.95581%0.808SS**  38.9122.372-76.6-164.7-85.2-151-1.6112.1
178G40.9Very low45.6Very low67 Ų67154.6 Ų154.669%0.69181%0.808SS**  cis-178157.85.200000111.8
179F42.3Very low46.1Very low194 Ų194153.4 Ų153.485%0.85181%0.805SS**  trans43.3113.9137.7-88.2-94.4000121.1
180C38Very low46.6Very low138 Ų138152.1 Ų152.193%0.93281%0.805SS**  trans-109.2109.7149.1-75.60000109.5
181C44.9Very low47.6Very low94 Ų94153 Ų15364%0.63584%0.835SS**  trans-115.7111.8156.5-77.20000107
182F43.5Very low47.4Very low225 Ų225155.9 Ų155.999%0.98785%0.847SS**  trans-166.8136.4159.7-87.5-77.1000104.9
183G39.7Very low47.9Very low68 Ų68154.6 Ų154.670%0.70185%0.85SS**  cis163.6134.68.500000105.4
184W43.4Very low47.7Very low275 Ų275156.7 Ų156.7100%1.04286%0.857SS**  trans-67.8148171.9-84.131.6000110.8
185G46.7Very low47.8Very low70 Ų70152.2 Ų152.272%0.72286%0.856SS**  trans143.297.9159.500000114.1
186Q52.4Low47.5Very low203 Ų203155.6 Ų155.695%0.94986%0.859SS**  trans-122.3115.7144.7-87.9-171.3-0.200108.5
187V53.1Low47.9Very low121 Ų121161.3 Ų161.373%0.73387%0.868SS**  trans-86.7167170-168.90000107.1
188L51.8Low47.6Very low126 Ų126154.8 Ų154.866%0.6686%0.861SS**  trans95.1129.6153.5-61.4157.7000114.9
189Y54.6Low48.1Very low204 Ų204161.5 Ų161.580%0.888%0.875SS**  cis-150146.710.8-107.2-78.6000108.9
190K52.3Low48.6Very low204 Ų204158.8 Ų158.889%0.88788%0.877SS**  trans-76.2136.7154.9-93.2178.5168.3-178.30108.4
191A63.2Low49.6Very low178 Ų178160.7 Ų160.7100%1.47187%0.871SS**  trans-122.50148.200000106.8

Retrieved 191 of 191 residues in 60.2 ms (Link to these results)