A0A061AKW6_CAEEL Loading...

BMERB domain-containing protein

AlphaFold DB , UniProt , Accession A0A061AKW6, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 132 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
1M60.7Low86Confident164 Ų16487.2 Ų87.281%0.80843%0.425SS*.  098.30-72.6-61.6-107.600108.4E3 R83M1-E3 PolarHBondContact O-N 3.35Å; M1-R83 HydrophobicContact CE-CG 4.49Å
2P74Confident86.8Confident95 Ų9588.7 Ų88.762%0.61744%0.437SS*.Hα-helixtrans-59.4-42.3-174.5-23.633.9000113.2F4 Q5 E6P2-F4 PolarHBondContact O-N 3.3Å; P2-Q5 PolarHBondContact O-N 3.38Å; P2-E6 WeakPolarHBondContact O-CB 3.33Å; P2-E6 VanDerWaalsContact O-CG 3.29Å; P2-E6 WeakPolarHBondContact O-CG 3.48Å; P2-E6 PolarHBondContact O-N 3.44Å
3E83.7Confident87.7Confident116 Ų11692.9 Ų92.954%0.54245%0.451SS..Hα-helixtrans-63.7-39.5-174.8-164.8-170.5161.600113.7M1 E6 R7M1-E3 PolarHBondContact O-N 3.35Å; E3-E6 PolarHBondContact O-N 2.93Å; E3-R7 WeakPolarHBondContact O-CG 3.36Å; E3-R7 PolarHBondContact O-N 3.23Å; E3-R7 IonicContact OE1-CZ 3.67Å; E3-R7 IonicContact OE1-NE 3.41Å; E3-R7 PolarHBondContact OE1-NE 3.42Å; E3-R7 IonicContact OE1-NH2 2.99Å; E3-R7 PolarHBondContact OE1-NH2 2.98Å
4F81.8Confident88.3Confident59 Ų5990.7 Ų90.726%0.25944%0.436SS..Hα-helixtrans-66-43.6177.9-179.5-99.2000111.3P2 R7 L8 T76 E80P2-F4 PolarHBondContact O-N 3.3Å; F4-R7 PolarHBondContact O-N 3.21Å; F4-L8 HydrophobicContact CD1-CD1 4Å; F4-L8 HydrophobicContact CD1-CG 4.41Å; F4-L8 HydrophobicContact CE1-CD1 3.47Å; F4-L8 VanDerWaalsContact CE1-CD1 3.47Å; F4-L8 HydrophobicContact CE1-CG 4.08Å; F4-L8 HydrophobicContact CZ-CD1 4.03Å; F4-L8 HydrophobicContact CZ-CD2 4.45Å; F4-L8 HydrophobicContact CZ-CG 4.32Å; F4-L8 WeakPolarHBondContact O-CG 3.47Å; F4-L8 PolarHBondContact O-N 3.08Å; F4-T76 HydrophobicContact CD2-CG2 3.52Å; F4-T76 HydrophobicContact CE2-CG2 3.41Å; F4-T76 VanDerWaalsContact CE2-CG2 3.41Å; F4-T76 HydrophobicContact CZ-CG2 4.35Å; F4-E80 HydrophobicContact CD2-CB 3.91Å; F4-E80 HydrophobicContact CD2-CG 4.26Å; F4-E80 HydrophobicContact CE2-CB 3.52Å; F4-E80 HydrophobicContact CE2-CG 3.76Å; F4-E80 HydrophobicContact CZ-CB 4.32Å; F4-E80 HydrophobicContact CZ-CG 4.08Å
5Q86.6Confident88.9Confident114 Ų11494.3 Ų94.353%0.53344%0.444SS..Hα-helixtrans-67.9-36.9178.9-169.962.627.800112.1P2 L8 T9P2-Q5 PolarHBondContact O-N 3.38Å; Q5-L8 PolarHBondContact O-N 2.79Å; Q5-T9 WeakPolarHBondContact O-CB 3.4Å; Q5-T9 PolarHBondContact O-N 2.84Å; Q5-T9 PolarHBondContact O-OG1 3.08Å
6E91.4Very high89.5Confident128 Ų12893.6 Ų93.660%0.59845%0.445SS*.Hα-helixtrans-62.4-43.1173.5-75.2168.6-162.600111.5P2 E3 T9 Y10P2-E6 WeakPolarHBondContact O-CB 3.33Å; P2-E6 VanDerWaalsContact O-CG 3.29Å; P2-E6 WeakPolarHBondContact O-CG 3.48Å; P2-E6 PolarHBondContact O-N 3.44Å; E3-E6 PolarHBondContact O-N 2.93Å; E6-T9 PolarHBondContact O-N 3.28Å; E6-Y10 WeakPolarHBondContact O-CB 3.42Å; E6-Y10 PolarHBondContact O-N 3.29Å
7R91.2Very high89.9Confident66 Ų6693.1 Ų93.125%0.24944%0.442CS..Hα-helixtrans-64.3-40.5175.3-73.5-177.6-172.6-111.33.9112.8E3 F4 Y10 L11 E72 T76E3-R7 WeakPolarHBondContact O-CG 3.36Å; E3-R7 PolarHBondContact O-N 3.23Å; E3-R7 IonicContact OE1-CZ 3.67Å; E3-R7 IonicContact OE1-NE 3.41Å; E3-R7 PolarHBondContact OE1-NE 3.42Å; E3-R7 IonicContact OE1-NH2 2.99Å; E3-R7 PolarHBondContact OE1-NH2 2.98Å; F4-R7 PolarHBondContact O-N 3.21Å; R7-Y10 PolarHBondContact O-N 2.91Å; R7-L11 WeakPolarHBondContact O-CG 3.48Å; R7-L11 PolarHBondContact O-N 3.2Å; R7-E72 WeakPolarHBondContact CD-OE1 3.4Å; R7-E72 IonicContact CZ-OE1 2.68Å; R7-E72 IonicContact NE-OE1 3.86Å; R7-E72 IonicContact NH1-OE1 3.82Å; R7-E72 PolarHBondContact NH1-OE1 3.21Å; R7-E72 IonicContact NH1-OE2 3.52Å; R7-T76 HydrophobicContact CB-CG2 4.11Å; R7-T76 WeakPolarHBondContact CD-OG1 3.29Å
8L90.6Very high90.4Very high55 Ų5589.7 Ų89.729%0.28843%0.426SS..Hα-helixtrans-62.2-44.4173-70.8-176.7000111.6F4 Q5 Y10 L11 D12F4-L8 HydrophobicContact CD1-CD1 4Å; F4-L8 HydrophobicContact CD1-CG 4.41Å; F4-L8 HydrophobicContact CE1-CD1 3.47Å; F4-L8 VanDerWaalsContact CE1-CD1 3.47Å; F4-L8 HydrophobicContact CE1-CG 4.08Å; F4-L8 HydrophobicContact CZ-CD1 4.03Å; F4-L8 HydrophobicContact CZ-CD2 4.45Å; F4-L8 HydrophobicContact CZ-CG 4.32Å; F4-L8 WeakPolarHBondContact O-CG 3.47Å; F4-L8 PolarHBondContact O-N 3.08Å; Q5-L8 PolarHBondContact O-N 2.79Å; L8-Y10 VanDerWaalsContact C-N 3.28Å; L8-Y10 PolarHBondContact O-N 3.39Å; L8-L11 HydrophobicContact CD2-CD1 4.4Å; L8-L11 WeakPolarHBondContact O-CB 3.21Å; L8-L11 PolarHBondContact O-N 3.48Å; L8-L11 VanDerWaalsContact O-N 3.1Å; L8-D12 PolarHBondContact O-N 2.93Å
9T94.3Very high90.8Very high58 Ų5894.1 Ų94.136%0.35644%0.438SS..Hα-helixtrans-62.5-37.3177.2-54.80000111.8Q5 E6 D12 K13Q5-T9 WeakPolarHBondContact O-CB 3.4Å; Q5-T9 PolarHBondContact O-N 2.84Å; Q5-T9 PolarHBondContact O-OG1 3.08Å; E6-T9 PolarHBondContact O-N 3.28Å; T9-D12 PolarHBondContact O-N 3Å; T9-K13 WeakPolarHBondContact O-CG 3.29Å; T9-K13 PolarHBondContact O-N 2.99Å
10Y95.6Very high91.1Very high89 Ų8996.9 Ų96.935%0.34945%0.449SS..Hα-helixtrans-65-43.6173.1170.2-102.1000111.7E6 R7 L8 D12 K13 R14 E72E6-Y10 WeakPolarHBondContact O-CB 3.42Å; E6-Y10 PolarHBondContact O-N 3.29Å; R7-Y10 PolarHBondContact O-N 2.91Å; L8-Y10 VanDerWaalsContact C-N 3.28Å; L8-Y10 PolarHBondContact O-N 3.39Å; Y10-D12 VanDerWaalsContact C-N 3.33Å; Y10-D12 PolarHBondContact O-N 3.36Å; Y10-K13 PolarHBondContact O-N 3.45Å; Y10-R14 HydrophobicContact CD1-CG 4.32Å; Y10-R14 HydrophobicContact CD2-CG 4.43Å; Y10-R14 HydrophobicContact CE1-CG 3.99Å; Y10-R14 HydrophobicContact CE2-CG 4.09Å; Y10-R14 VanDerWaalsContact O-CG 3.27Å; Y10-R14 WeakPolarHBondContact O-CG 3.26Å; Y10-R14 PolarHBondContact O-N 3.25Å; Y10-R14 VanDerWaalsContact OH-CZ 3.3Å; Y10-R14 PolarHBondContact OH-NE 3.31Å; Y10-R14 PolarHBondContact OH-NH2 2.9Å; Y10-E72 HydrophobicContact CD1-CG 4Å; Y10-E72 HydrophobicContact CE1-CG 4.02Å
11L95.8Very high91.4Very high15 Ų1593 Ų938%0.07943%0.431CS..Hα-helixtrans-59.8-41.2174.6-81.2167.1000112.3R7 L8 K13 R14 Y15 I69 E72 L73R7-L11 WeakPolarHBondContact O-CG 3.48Å; R7-L11 PolarHBondContact O-N 3.2Å; L8-L11 HydrophobicContact CD2-CD1 4.4Å; L8-L11 WeakPolarHBondContact O-CB 3.21Å; L8-L11 PolarHBondContact O-N 3.48Å; L8-L11 VanDerWaalsContact O-N 3.1Å; L11-K13 PolarHBondContact O-N 2.99Å; L11-R14 WeakPolarHBondContact O-CB 3.3Å; L11-R14 PolarHBondContact O-N 2.76Å; L11-Y15 PolarHBondContact O-N 3.39Å; L11-I69 HydrophobicContact CD2-CB 4.36Å; L11-I69 HydrophobicContact CD2-CG2 4.01Å; L11-I69 WeakPolarHBondContact CD2-O 3.32Å; L11-E72 HydrophobicContact CD1-CG 4.46Å; L11-E72 HydrophobicContact CD2-CB 3.91Å; L11-E72 HydrophobicContact CD2-CG 4.2Å; L11-E72 HydrophobicContact CG-CB 4.4Å; L11-E72 HydrophobicContact CG-CG 4.14Å; L11-L73 HydrophobicContact CD1-CB 4.22Å; L11-L73 HydrophobicContact CD1-CD1 4.14Å; L11-L73 HydrophobicContact CD2-CB 4.38Å
12D96.3Very high93.1Very high105 Ų10587.9 Ų87.956%0.56141%0.409SS*.Hα-helixtrans-60.4-46.9176.2-72.2-20.6000111.4L8 T9 Y10 R14 Y15 D16L8-D12 PolarHBondContact O-N 2.93Å; T9-D12 PolarHBondContact O-N 3Å; Y10-D12 VanDerWaalsContact C-N 3.33Å; Y10-D12 PolarHBondContact O-N 3.36Å; D12-R14 VanDerWaalsContact C-N 3.29Å; D12-R14 PolarHBondContact O-N 3.4Å; D12-Y15 PolarHBondContact O-N 3.03Å; D12-D16 PolarHBondContact O-N 3.35Å
13K97.8Very high94.2Very high144 Ų14489.9 Ų89.963%0.62641%0.41SS*.Hα-helixtrans-60.1-39.4176.2-70.8174.9-178.4177.80112.3T9 Y10 L11 D16 H17T9-K13 WeakPolarHBondContact O-CG 3.29Å; T9-K13 PolarHBondContact O-N 2.99Å; Y10-K13 PolarHBondContact O-N 3.45Å; L11-K13 PolarHBondContact O-N 2.99Å; K13-D16 PolarHBondContact O-N 3.07Å; K13-H17 WeakPolarHBondContact O-CB 3.36Å; K13-H17 PolarHBondContact O-N 3.04Å
14R97.3Very high94.8Very high62 Ų6286.4 Ų86.423%0.23440%0.399CS..Hα-helixtrans-66.4-41.5176.8-71.1-69.8-165.2174.97.7111.4Y10 L11 D12 H17 L18 E65 I69Y10-R14 HydrophobicContact CD1-CG 4.32Å; Y10-R14 HydrophobicContact CD2-CG 4.43Å; Y10-R14 HydrophobicContact CE1-CG 3.99Å; Y10-R14 HydrophobicContact CE2-CG 4.09Å; Y10-R14 VanDerWaalsContact O-CG 3.27Å; Y10-R14 WeakPolarHBondContact O-CG 3.26Å; Y10-R14 PolarHBondContact O-N 3.25Å; Y10-R14 VanDerWaalsContact OH-CZ 3.3Å; Y10-R14 PolarHBondContact OH-NE 3.31Å; Y10-R14 PolarHBondContact OH-NH2 2.9Å; L11-R14 WeakPolarHBondContact O-CB 3.3Å; L11-R14 PolarHBondContact O-N 2.76Å; D12-R14 VanDerWaalsContact C-N 3.29Å; D12-R14 PolarHBondContact O-N 3.4Å; R14-H17 WeakPolarHBondContact O-CB 3.45Å; R14-H17 PolarHBondContact O-N 3.5Å; R14-L18 PolarHBondContact O-N 3.3Å; R14-E65 WeakPolarHBondContact CD-OE1 3.49Å; R14-E65 IonicContact CZ-OE1 3.82Å; R14-E65 IonicContact CZ-OE2 3.54Å; R14-E65 IonicContact NE-OE1 3.8Å; R14-E65 VanDerWaalsContact NH1-CD 3.26Å; R14-E65 IonicContact NH1-OE1 3.16Å; R14-E65 PolarHBondContact NH1-OE1 3.37Å; R14-E65 IonicContact NH1-OE2 2.88Å; R14-E65 PolarHBondContact NH1-OE2 3.19Å; R14-I69 HydrophobicContact CB-CD1 4.08Å; R14-I69 HydrophobicContact CB-CG1 3.63Å
15Y97.2Very high95.6Very high144 Ų14485.2 Ų85.257%0.56540%0.395SS*.Hα-helixtrans-63.4-43.8175.3-171.9-93.8000111.8L11 D12 H17 L18 R19L11-Y15 PolarHBondContact O-N 3.39Å; D12-Y15 PolarHBondContact O-N 3.03Å; Y15-H17 VanDerWaalsContact C-N 3.3Å; Y15-H17 PolarHBondContact O-N 3.48Å; Y15-L18 PolarHBondContact O-N 3.45Å; Y15-R19 WeakPolarHBondContact O-CB 3.49Å; Y15-R19 PolarHBondContact O-N 2.98Å
16D97.9Very high96.1Very high84 Ų8487.4 Ų87.445%0.44940%0.398SS..Hα-helixtrans-60.8-39.7174.6-84.1-16.9000112.4D12 K13 R19 K20D12-D16 PolarHBondContact O-N 3.35Å; K13-D16 PolarHBondContact O-N 3.07Å; D16-R19 PolarHBondContact O-N 2.78Å; D16-K20 WeakPolarHBondContact O-CG 3.33Å; D16-K20 PolarHBondContact O-N 2.9Å
17H97.1Very high96.4Very high85 Ų8588 Ų8839%0.39440%0.398SS..Hα-helixtrans-62.8-49.4174.7-178.2-142.8000111.5K13 R14 Y15 R19 K20 M21 E65K13-H17 WeakPolarHBondContact O-CB 3.36Å; K13-H17 PolarHBondContact O-N 3.04Å; R14-H17 WeakPolarHBondContact O-CB 3.45Å; R14-H17 PolarHBondContact O-N 3.5Å; Y15-H17 VanDerWaalsContact C-N 3.3Å; Y15-H17 PolarHBondContact O-N 3.48Å; H17-R19 VanDerWaalsContact C-N 3.26Å; H17-R19 PolarHBondContact O-N 3.14Å; H17-K20 WeakPolarHBondContact O-CB 3.47Å; H17-K20 PolarHBondContact O-N 3.44Å; H17-K20 VanDerWaalsContact O-N 3.13Å; H17-M21 WeakPolarHBondContact O-CG 3.4Å; H17-M21 PolarHBondContact O-N 3.28Å; H17-E65 IonicContact CE1-OE1 3.48Å; H17-E65 IonicContact CG-OE1 3.98Å; H17-E65 VanDerWaalsContact ND1-CD 3.29Å; H17-E65 IonicContact ND1-OE1 3.5Å; H17-E65 PolarHBondContact ND1-OE1 3.42Å; H17-E65 IonicContact ND1-OE2 3.31Å
18L97.7Very high96.7Very high32 Ų3286.8 Ų86.817%0.16840%0.395CS..Hα-helixtrans-58.6-37.9175.4-179.859.6000112.2R14 Y15 M21 T22 M62 E65 A66 I69R14-L18 PolarHBondContact O-N 3.3Å; Y15-L18 PolarHBondContact O-N 3.45Å; L18-M21 PolarHBondContact O-N 3.1Å; L18-T22 PolarHBondContact O-N 2.83Å; L18-T22 PolarHBondContact O-OG1 3.42Å; L18-M62 HydrophobicContact CD1-CB 3.88Å; L18-M62 HydrophobicContact CD1-CE 4Å; L18-M62 HydrophobicContact CD1-CG 4.02Å; L18-E65 HydrophobicContact CB-CG 4.05Å; L18-E65 HydrophobicContact CD1-CB 4.32Å; L18-A66 HydrophobicContact CD2-CB 4.37Å; L18-I69 HydrophobicContact CB-CD1 4.24Å; L18-I69 HydrophobicContact CD2-CD1 3.91Å
19R97.7Very high97.1Very high173 Ų17386.5 Ų86.565%0.65340%0.395SS*.Hα-helixtrans-63.3-44.9175.4-177.2-178.8176.1170.31.4111.7Y15 D16 H17 M21 T22 H23Y15-R19 WeakPolarHBondContact O-CB 3.49Å; Y15-R19 PolarHBondContact O-N 2.98Å; D16-R19 PolarHBondContact O-N 2.78Å; H17-R19 VanDerWaalsContact C-N 3.26Å; H17-R19 PolarHBondContact O-N 3.14Å; R19-M21 VanDerWaalsContact C-N 3.35Å; R19-T22 WeakPolarHBondContact O-CB 3.35Å; R19-T22 PolarHBondContact O-N 3.39Å; R19-H23 PolarHBondContact O-N 2.95Å; R19-H23 VanDerWaalsContact O-N 3.1Å
20K97.5Very high97.2Very high149 Ų14987.4 Ų87.465%0.64840%0.398SS*.Hα-helixtrans-61.6-43.7176.1-72.7172.1-176.81770111.5D16 H17 T22 H23 S24D16-K20 WeakPolarHBondContact O-CG 3.33Å; D16-K20 PolarHBondContact O-N 2.9Å; H17-K20 WeakPolarHBondContact O-CB 3.47Å; H17-K20 PolarHBondContact O-N 3.44Å; H17-K20 VanDerWaalsContact O-N 3.13Å; K20-T22 VanDerWaalsContact C-N 3.35Å; K20-T22 PolarHBondContact O-N 2.93Å; K20-H23 WeakPolarHBondContact O-CB 3.43Å; K20-H23 PolarHBondContact O-N 3.3Å; K20-S24 PolarHBondContact O-N 3.46Å
21M97.4Very high97.3Very high15 Ų1587.1 Ų87.17%0.07440%0.4CS..Hα-helixtrans-61.3-42174.7-69.2-173.274.800112.5H17 L18 R19 H23 S24 L25 E58 L61 M62H17-M21 WeakPolarHBondContact O-CG 3.4Å; H17-M21 PolarHBondContact O-N 3.28Å; L18-M21 PolarHBondContact O-N 3.1Å; R19-M21 VanDerWaalsContact C-N 3.35Å; M21-H23 PolarHBondContact O-N 3.42Å; M21-S24 PolarHBondContact O-N 3.46Å; M21-L25 WeakPolarHBondContact O-CB 3.48Å; M21-L25 PolarHBondContact O-N 2.78Å; M21-E58 HydrophobicContact CE-CG 3.99Å; M21-E58 WeakPolarHBondContact CE-O 3.42Å; M21-L61 HydrophobicContact CE-CB 3.2Å; M21-L61 HydrophobicContact CE-CD1 4.27Å; M21-L61 HydrophobicContact CE-CG 4.38Å; M21-L61 HydrophobicContact SD-CB 4.34Å; M21-M62 HydrophobicContact CB-CG 3.62Å; M21-M62 HydrophobicContact CB-SD 4.15Å; M21-M62 HydrophobicContact CE-CB 4.36Å; M21-M62 HydrophobicContact CE-CG 3.55Å; M21-M62 HydrophobicContact CG-CG 4.46Å; M21-M62 HydrophobicContact SD-CG 4.04Å
22T96.6Very high97.3Very high58 Ų5887.3 Ų87.336%0.35640%0.401SS..Hα-helixtrans-58.8-39.9175.9-56.60000111.5L18 R19 K20 R26 M62L18-T22 PolarHBondContact O-N 2.83Å; L18-T22 PolarHBondContact O-OG1 3.42Å; R19-T22 WeakPolarHBondContact O-CB 3.35Å; R19-T22 PolarHBondContact O-N 3.39Å; K20-T22 VanDerWaalsContact C-N 3.35Å; K20-T22 PolarHBondContact O-N 2.93Å; T22-R26 WeakPolarHBondContact O-CB 3.48Å; T22-R26 PolarHBondContact O-N 2.89Å; T22-R26 VanDerWaalsContact O-N 3.14Å; T22-M62 HydrophobicContact CG2-CE 4.39Å; T22-M62 WeakPolarHBondContact OG1-CE 3.24Å
23H97.2Very high97.3Very high137 Ų13786.7 Ų86.763%0.63440%0.395SS*.Hα-helixtrans-68.8-44.6177.3-173.266.4000112.3R19 K20 M21 R26 K27R19-H23 PolarHBondContact O-N 2.95Å; R19-H23 VanDerWaalsContact O-N 3.1Å; K20-H23 WeakPolarHBondContact O-CB 3.43Å; K20-H23 PolarHBondContact O-N 3.3Å; M21-H23 PolarHBondContact O-N 3.42Å; H23-R26 PolarHBondContact O-N 3.24Å; H23-K27 PolarHBondContact O-N 2.99Å; H23-K27 VanDerWaalsContact O-N 3.07Å
24S96.9Very high97.3Very high43 Ų4384.1 Ų84.130%0.30139%0.388SS..Hα-helixtrans-62.9-46177164.80000112K20 M21 R26 K27 K28 E58K20-S24 PolarHBondContact O-N 3.46Å; M21-S24 PolarHBondContact O-N 3.46Å; S24-R26 VanDerWaalsContact C-N 3.32Å; S24-R26 PolarHBondContact O-N 2.96Å; S24-K27 WeakPolarHBondContact O-CB 3.4Å; S24-K27 PolarHBondContact O-N 3.48Å; S24-K27 VanDerWaalsContact O-N 3.1Å; S24-K28 PolarHBondContact O-N 3.48Å; S24-E58 WeakPolarHBondContact CB-OE1 3.35Å; S24-E58 PolarHBondContact OG-OE1 3.09Å; S24-E58 PolarHBondContact OG-OE2 3.41Å
25L97.8Very high97.2Very high33 Ų3382.2 Ų82.217%0.17338%0.382CS..Hα-helixtrans-57.1-44.9174.7-177.264.9000111.8M21 K27 K28 V29 I55 E58 M62M21-L25 WeakPolarHBondContact O-CB 3.48Å; M21-L25 PolarHBondContact O-N 2.78Å; L25-K27 VanDerWaalsContact C-N 3.31Å; L25-K27 PolarHBondContact O-N 2.99Å; L25-K28 PolarHBondContact O-N 2.96Å; L25-V29 WeakPolarHBondContact O-CG2 3.45Å; L25-V29 PolarHBondContact O-N 3.28Å; L25-I55 HydrophobicContact CD1-CB 4.24Å; L25-I55 HydrophobicContact CD1-CG1 4.22Å; L25-I55 HydrophobicContact CD1-CG2 3.91Å; L25-E58 HydrophobicContact CB-CG 4.28Å; L25-E58 HydrophobicContact CD1-CB 4.31Å; L25-E58 HydrophobicContact CD1-CG 4.4Å; L25-E58 PolarHBondContact N-OE1 3.01Å; L25-M62 HydrophobicContact CB-SD 4.05Å; L25-M62 HydrophobicContact CD2-CE 4.44Å; L25-M62 HydrophobicContact CD2-SD 3.53Å; L25-M62 VanDerWaalsContact CD2-SD 3.53Å; L25-M62 HydrophobicContact CG-SD 4.4Å
26R97.6Very high96.9Very high161 Ų16181 Ų8161%0.60838%0.383SS*.Hα-helixtrans-59.3-43.2176.4-175.2-177.7-61.6-167.5-1.7111.6T22 H23 S24 K28 V29 N30T22-R26 WeakPolarHBondContact O-CB 3.48Å; T22-R26 PolarHBondContact O-N 2.89Å; T22-R26 VanDerWaalsContact O-N 3.14Å; H23-R26 PolarHBondContact O-N 3.24Å; S24-R26 VanDerWaalsContact C-N 3.32Å; S24-R26 PolarHBondContact O-N 2.96Å; R26-K28 PolarHBondContact O-N 3.47Å; R26-V29 PolarHBondContact O-N 2.82Å; R26-N30 VanDerWaalsContact O-CG 3.27Å; R26-N30 PolarHBondContact O-N 2.96Å; R26-N30 PolarHBondContact O-OD1 3.21Å
27K98Very high96.7Very high139 Ų13985.6 Ų85.660%0.60439%0.394SS*.Hα-helixtrans-59.9-46.6177.8-172.8-175.2174.6-170.20111.3H23 S24 L25 N30 E31H23-K27 PolarHBondContact O-N 2.99Å; H23-K27 VanDerWaalsContact O-N 3.07Å; S24-K27 WeakPolarHBondContact O-CB 3.4Å; S24-K27 PolarHBondContact O-N 3.48Å; S24-K27 VanDerWaalsContact O-N 3.1Å; L25-K27 VanDerWaalsContact C-N 3.31Å; L25-K27 PolarHBondContact O-N 2.99Å; K27-N30 PolarHBondContact O-N 3.37Å; K27-E31 WeakPolarHBondContact O-CB 3.33Å; K27-E31 PolarHBondContact O-N 3.49Å
28K97.5Very high96.5Very high42 Ų4286.2 Ų86.218%0.18340%0.4CS..Hα-helixtrans-66.6-36.5179.3-68.2180-174.61660113.3S24 L25 R26 E31 L32 L51 E54 I55 E58S24-K28 PolarHBondContact O-N 3.48Å; L25-K28 PolarHBondContact O-N 2.96Å; R26-K28 PolarHBondContact O-N 3.47Å; K28-E31 PolarHBondContact O-N 2.89Å; K28-L32 WeakPolarHBondContact O-CB 3.41Å; K28-L32 PolarHBondContact O-N 3.31Å; K28-L51 HydrophobicContact CB-CD2 4.49Å; K28-E54 HydrophobicContact CD-CB 4.21Å; K28-E54 VanDerWaalsContact CE-OE2 3.24Å; K28-E54 WeakPolarHBondContact CE-OE2 3.36Å; K28-E54 IonicContact NZ-OE2 2.73Å; K28-E54 PolarHBondContact NZ-OE2 2.96Å; K28-I55 HydrophobicContact CB-CD1 4.19Å; K28-I55 HydrophobicContact CB-CG1 3.81Å; K28-E58 WeakPolarHBondContact CD-OE2 3.45Å; K28-E58 WeakPolarHBondContact CE-OE2 3.3Å; K28-E58 IonicContact NZ-OE2 3.42Å; K28-E58 PolarHBondContact NZ-OE2 3.1Å
29V97.6Very high95.9Very high48 Ų4891.2 Ų91.229%0.29143%0.427SS..Hα-helixtrans-63.7-45.3174169.80000110.4L25 R26 E31 L32 E33 I55L25-V29 WeakPolarHBondContact O-CG2 3.45Å; L25-V29 PolarHBondContact O-N 3.28Å; R26-V29 PolarHBondContact O-N 2.82Å; V29-E31 PolarHBondContact O-N 2.63Å; V29-L32 WeakPolarHBondContact O-CB 3.35Å; V29-L32 PolarHBondContact O-N 3.28Å; V29-E33 WeakPolarHBondContact O-CG 3.45Å; V29-E33 PolarHBondContact O-N 3.24Å; V29-I55 HydrophobicContact CG2-CD1 4.07Å; V29-I55 HydrophobicContact CG2-CG1 4.42Å
30N97.5Very high95.4Very high77 Ų7789.8 Ų89.841%0.41243%0.432SS..Hα-helixtrans-62.2-43.4176.3-67.82.1000111.6R26 K27 L32 E33 D34R26-N30 VanDerWaalsContact O-CG 3.27Å; R26-N30 PolarHBondContact O-N 2.96Å; R26-N30 PolarHBondContact O-OD1 3.21Å; K27-N30 PolarHBondContact O-N 3.37Å; N30-L32 VanDerWaalsContact C-N 3.33Å; N30-L32 PolarHBondContact O-N 3.31Å; N30-E33 WeakPolarHBondContact O-CB 2.99Å; N30-E33 PolarHBondContact O-N 2.84Å; N30-D34 VanDerWaalsContact O-CG 3.31Å; N30-D34 PolarHBondContact O-N 3.44Å
31E97Very high95.2Very high83 Ų8386 Ų8639%0.38842%0.419SS..Hα-helixtrans-61.6-40.7176.9-173.4176.3172.300112.1K27 K28 V29 D34 I35 L51K27-E31 WeakPolarHBondContact O-CB 3.33Å; K27-E31 PolarHBondContact O-N 3.49Å; K28-E31 PolarHBondContact O-N 2.89Å; V29-E31 PolarHBondContact O-N 2.63Å; E31-D34 PolarHBondContact O-N 3.32Å; E31-I35 HydrophobicContact CG-CD1 4.14Å; E31-I35 WeakPolarHBondContact O-CG1 3.24Å; E31-I35 PolarHBondContact O-N 2.73Å; E31-L51 HydrophobicContact CB-CD1 4.48Å; E31-L51 HydrophobicContact CG-CD1 3.99Å; E31-L51 HydrophobicContact CG-CD2 4.46Å
32L96.9Very high94.9Very high19 Ų1992.9 Ų92.910%0.09945%0.451CS..Hα-helixtrans-62.1-46.2173174.766.8000111.3K28 V29 N30 D34 I35 M36 I48 L51 L52 I55K28-L32 WeakPolarHBondContact O-CB 3.41Å; K28-L32 PolarHBondContact O-N 3.31Å; V29-L32 WeakPolarHBondContact O-CB 3.35Å; V29-L32 PolarHBondContact O-N 3.28Å; N30-L32 VanDerWaalsContact C-N 3.33Å; N30-L32 PolarHBondContact O-N 3.31Å; L32-D34 VanDerWaalsContact C-N 3.26Å; L32-D34 PolarHBondContact O-N 3.44Å; L32-I35 PolarHBondContact O-N 3.29Å; L32-M36 HydrophobicContact CD1-CG 4.09Å; L32-M36 HydrophobicContact CD1-SD 4.01Å; L32-M36 HydrophobicContact CD2-SD 4.5Å; L32-M36 HydrophobicContact CG-CG 4.4Å; L32-M36 HydrophobicContact CG-SD 3.94Å; L32-M36 WeakPolarHBondContact O-CB 3.48Å; L32-M36 WeakPolarHBondContact O-CG 3.34Å; L32-M36 PolarHBondContact O-N 3.37Å; L32-I48 HydrophobicContact CD1-CB 4.19Å; L32-I48 HydrophobicContact CD1-CG1 4.02Å; L32-I48 HydrophobicContact CD1-CG2 3.9Å; L32-L51 HydrophobicContact CB-CB 4.5Å; L32-L51 HydrophobicContact CB-CD1 4.33Å; L32-L51 HydrophobicContact CD1-CB 4.35Å; L32-L52 HydrophobicContact CD1-CG 4.35Å; L32-L52 HydrophobicContact CD2-CD2 3.62Å; L32-L52 HydrophobicContact CD2-CG 4.21Å; L32-I55 HydrophobicContact CB-CD1 4.21Å; L32-I55 HydrophobicContact CD2-CD1 3.78Å
33E96Very high94.8Very high93 Ų9397.1 Ų97.144%0.43547%0.466SS..Hα-helixtrans-60.2-37176.2-74179.9-174.400112.2V29 N30 R37V29-E33 WeakPolarHBondContact O-CG 3.45Å; V29-E33 PolarHBondContact O-N 3.24Å; N30-E33 WeakPolarHBondContact O-CB 2.99Å; N30-E33 PolarHBondContact O-N 2.84Å; E33-R37 WeakPolarHBondContact O-CG 3.37Å
34D96.1Very high94.6Very high89 Ų8991.8 Ų91.848%0.47644%0.443SS..Hα-helixtrans-69.2-44.6178.2-71.7-25000111.5N30 E31 L32 R37N30-D34 VanDerWaalsContact O-CG 3.31Å; N30-D34 PolarHBondContact O-N 3.44Å; E31-D34 PolarHBondContact O-N 3.32Å; L32-D34 VanDerWaalsContact C-N 3.26Å; L32-D34 PolarHBondContact O-N 3.44Å; D34-R37 WeakPolarHBondContact O-CB 3.36Å; D34-R37 PolarHBondContact O-N 3.25Å; D34-R37 IonicContact OD1-NH1 2.83Å; D34-R37 PolarHBondContact OD1-NH1 3.32Å
35I95.2Very high94.5Very high22 Ų2294.3 Ų94.311%0.11345%0.451CS..Hα-helixtrans-68.5-36.8178.4-65.7161.8000111.4E31 L32 R37 L38 N44 T47 I48 L51E31-I35 HydrophobicContact CG-CD1 4.14Å; E31-I35 WeakPolarHBondContact O-CG1 3.24Å; E31-I35 PolarHBondContact O-N 2.73Å; L32-I35 PolarHBondContact O-N 3.29Å; I35-R37 PolarHBondContact O-N 2.98Å; I35-R37 VanDerWaalsContact O-N 3.08Å; I35-L38 WeakPolarHBondContact O-CB 3.15Å; I35-L38 PolarHBondContact O-N 3.44Å; I35-N44 HydrophobicContact CG2-CB 4.02Å; I35-T47 HydrophobicContact CD1-CG2 3.58Å; I35-I48 HydrophobicContact CB-CG1 4.41Å; I35-I48 HydrophobicContact CG2-CD1 4.04Å; I35-I48 HydrophobicContact CG2-CG1 3.7Å; I35-L51 HydrophobicContact CD1-CD1 3.48Å; I35-L51 VanDerWaalsContact CD1-CD1 3.48Å
36M91.4Very high94.4Very high119 Ų11997 Ų9759%0.58647%0.465SS*.THydrogen-bonded Turntrans-64.6-11.6176.1-74.2-17869.700113.9L32 I48L32-M36 HydrophobicContact CD1-CG 4.09Å; L32-M36 HydrophobicContact CD1-SD 4.01Å; L32-M36 HydrophobicContact CD2-SD 4.5Å; L32-M36 HydrophobicContact CG-CG 4.4Å; L32-M36 HydrophobicContact CG-SD 3.94Å; L32-M36 WeakPolarHBondContact O-CB 3.48Å; L32-M36 WeakPolarHBondContact O-CG 3.34Å; L32-M36 PolarHBondContact O-N 3.37Å; M36-I48 HydrophobicContact CG-CD1 3.91Å; M36-I48 HydrophobicContact CG-CG1 4.16Å
37R93.6Very high94.3Very high181 Ų18191.4 Ų91.468%0.68345%0.449SS*.THydrogen-bonded Turntrans-91.9-9.1173.4-66.9168.3-173.4162.67.9113.3E33 D34 I35E33-R37 WeakPolarHBondContact O-CG 3.37Å; D34-R37 WeakPolarHBondContact O-CB 3.36Å; D34-R37 PolarHBondContact O-N 3.25Å; D34-R37 IonicContact OD1-NH1 2.83Å; D34-R37 PolarHBondContact OD1-NH1 3.32Å; I35-R37 PolarHBondContact O-N 2.98Å; I35-R37 VanDerWaalsContact O-N 3.08Å
38L92.6Very high94.2Very high98 Ų9885.7 Ų85.751%0.51343%0.425SS..SBendtrans-81.4177176.7-57.5178.8000110.8I35I35-L38 WeakPolarHBondContact O-CB 3.15Å; I35-L38 PolarHBondContact O-N 3.44Å
39D86.3Confident94.1Very high137 Ų13788.2 Ų88.273%0.73344%0.437SS*.  trans-64.3145.1176.5-70.7-33.7000111D41 N44D39-D41 PolarHBondContact O-N 3.47Å; D39-N44 PolarHBondContact O-ND2 3.1Å
40N86.4Confident94.1Very high142 Ų14292.1 Ų92.176%0.75945%0.451SS*.  trans-7865.2179.9-72.7-34.5000111.6
41D92.8Very high94.1Very high69 Ų6989 Ų8937%0.36943%0.433SS..  trans-91.2165.3171.46647.1000112.3D39 E43 N44 M45D39-D41 PolarHBondContact O-N 3.47Å; D41-E43 VanDerWaalsContact C-N 3.29Å; D41-E43 PolarHBondContact O-N 3.46Å; D41-E43 PolarHBondContact OD1-N 2.95Å; D41-N44 VanDerWaalsContact CG-ND2 3.31Å; D41-N44 PolarHBondContact O-N 3.38Å; D41-N44 VanDerWaalsContact OD1-CB 3.29Å; D41-N44 WeakPolarHBondContact OD1-CB 3.34Å; D41-N44 PolarHBondContact OD1-N 3.09Å; D41-N44 PolarHBondContact OD1-ND2 3.12Å; D41-N44 PolarHBondContact OD2-ND2 3.32Å; D41-M45 VanDerWaalsContact O-CG 3.3Å; D41-M45 WeakPolarHBondContact O-CG 3.21Å; D41-M45 PolarHBondContact O-N 2.9Å
42E92.6Very high94.2Very high161 Ų16187.7 Ų87.775%0.75243%0.429SS*.Hα-helixtrans-62.5-35.7-176.2-170172.8-167.500112.2M45 D46E42-M45 PolarHBondContact O-N 2.94Å; E42-D46 WeakPolarHBondContact O-CB 3.32Å; E42-D46 PolarHBondContact O-N 3.49Å
43E92.9Very high94.2Very high146 Ų14690 Ų9068%0.68244%0.442SS*.Hα-helixtrans-68.9-42.3-179.9-174.9173.5-172.300111.7D41 D46 T47D41-E43 VanDerWaalsContact C-N 3.29Å; D41-E43 PolarHBondContact O-N 3.46Å; D41-E43 PolarHBondContact OD1-N 2.95Å; E43-D46 PolarHBondContact O-N 2.97Å; E43-T47 WeakPolarHBondContact O-CB 3.47Å; E43-T47 PolarHBondContact O-N 3.06Å; E43-T47 PolarHBondContact O-OG1 2.86Å
44N93.7Very high94.3Very high25 Ų2589.3 Ų89.313%0.13444%0.438CS..Hα-helixtrans-65.6-41.7175.2-69-24.7000110.6I35 D39 D41 T47 I48I35-N44 HydrophobicContact CG2-CB 4.02Å; D39-N44 PolarHBondContact O-ND2 3.1Å; D41-N44 VanDerWaalsContact CG-ND2 3.31Å; D41-N44 PolarHBondContact O-N 3.38Å; D41-N44 VanDerWaalsContact OD1-CB 3.29Å; D41-N44 WeakPolarHBondContact OD1-CB 3.34Å; D41-N44 PolarHBondContact OD1-N 3.09Å; D41-N44 PolarHBondContact OD1-ND2 3.12Å; D41-N44 PolarHBondContact OD2-ND2 3.32Å; N44-T47 PolarHBondContact O-N 3.26Å; N44-I48 WeakPolarHBondContact O-CB 3.46Å; N44-I48 VanDerWaalsContact O-CG1 3.24Å; N44-I48 WeakPolarHBondContact O-CG1 3.27Å; N44-I48 PolarHBondContact O-N 3.27Å
45M94.6Very high94.4Very high97 Ų9786.3 Ų86.348%0.47842%0.422SS..Hα-helixtrans-63.6-42.3176.8-70.6-55.4-63.800112.5D41 E42 T47 I48 Q49D41-M45 VanDerWaalsContact O-CG 3.3Å; D41-M45 WeakPolarHBondContact O-CG 3.21Å; D41-M45 PolarHBondContact O-N 2.9Å; E42-M45 PolarHBondContact O-N 2.94Å; M45-T47 VanDerWaalsContact C-N 3.31Å; M45-T47 PolarHBondContact O-N 3.07Å; M45-I48 PolarHBondContact O-N 3.41Å; M45-I48 HydrophobicContact SD-CD1 4.17Å; M45-Q49 PolarHBondContact O-N 2.99Å
46D95.8Very high94.5Very high89 Ų8991.2 Ų91.248%0.47644%0.442SS..Hα-helixtrans-62.2-40174-87.7-4.6000112E42 E43 Q49 K50E42-D46 WeakPolarHBondContact O-CB 3.32Å; E42-D46 PolarHBondContact O-N 3.49Å; E43-D46 PolarHBondContact O-N 2.97Å; D46-Q49 PolarHBondContact O-N 3.27Å; D46-K50 WeakPolarHBondContact O-CG 3.36Å; D46-K50 PolarHBondContact O-N 2.8Å; D46-K50 VanDerWaalsContact O-N 3.1Å
47T95Very high94.8Very high43 Ų4392.8 Ų92.826%0.26444%0.442SS..Hα-helixtrans-69.8-42.5179.3-54.40000111.4I35 E43 N44 M45 Q49 K50 L51I35-T47 HydrophobicContact CD1-CG2 3.58Å; E43-T47 WeakPolarHBondContact O-CB 3.47Å; E43-T47 PolarHBondContact O-N 3.06Å; E43-T47 PolarHBondContact O-OG1 2.86Å; N44-T47 PolarHBondContact O-N 3.26Å; M45-T47 VanDerWaalsContact C-N 3.31Å; M45-T47 PolarHBondContact O-N 3.07Å; T47-Q49 VanDerWaalsContact C-N 3.32Å; T47-Q49 PolarHBondContact O-N 2.78Å; T47-K50 PolarHBondContact O-N 3.49Å; T47-L51 HydrophobicContact CG2-CD1 4.25Å; T47-L51 WeakPolarHBondContact O-CG 3.48Å; T47-L51 PolarHBondContact O-N 2.91Å
48I96.3Very high95Very high19 Ų1984.9 Ų84.910%0.09741%0.413CS..Hα-helixtrans-55.5-47.8172.6-76.2164.8000110.4L32 I35 M36 N44 M45 K50 L51 L52L32-I48 HydrophobicContact CD1-CB 4.19Å; L32-I48 HydrophobicContact CD1-CG1 4.02Å; L32-I48 HydrophobicContact CD1-CG2 3.9Å; I35-I48 HydrophobicContact CB-CG1 4.41Å; I35-I48 HydrophobicContact CG2-CD1 4.04Å; I35-I48 HydrophobicContact CG2-CG1 3.7Å; M36-I48 HydrophobicContact CG-CD1 3.91Å; M36-I48 HydrophobicContact CG-CG1 4.16Å; N44-I48 WeakPolarHBondContact O-CB 3.46Å; N44-I48 VanDerWaalsContact O-CG1 3.24Å; N44-I48 WeakPolarHBondContact O-CG1 3.27Å; N44-I48 PolarHBondContact O-N 3.27Å; M45-I48 PolarHBondContact O-N 3.41Å; M45-I48 HydrophobicContact SD-CD1 4.17Å; I48-K50 PolarHBondContact O-N 3.42Å; I48-L51 PolarHBondContact O-N 3Å; I48-L52 HydrophobicContact CG2-CD1 3.92Å; I48-L52 HydrophobicContact CG2-CG 4.42Å; I48-L52 WeakPolarHBondContact O-CB 3.27Å; I48-L52 WeakPolarHBondContact O-CG 3.39Å; I48-L52 PolarHBondContact O-N 3.13Å
49Q96.8Very high95.2Very high95 Ų9586.1 Ų86.144%0.44441%0.414SS..Hα-helixtrans-63.9-42.8-178.4-174.455.851.700111.7M45 D46 T47 L52 D53M45-Q49 PolarHBondContact O-N 2.99Å; D46-Q49 PolarHBondContact O-N 3.27Å; T47-Q49 VanDerWaalsContact C-N 3.32Å; T47-Q49 PolarHBondContact O-N 2.78Å; Q49-L52 PolarHBondContact O-N 3.44Å; Q49-D53 PolarHBondContact NE2-OD1 3.31Å; Q49-D53 PolarHBondContact NE2-OD2 3.38Å; Q49-D53 VanDerWaalsContact NE2-OD2 3.12Å; Q49-D53 PolarHBondContact O-N 3.24Å; Q49-D53 VanDerWaalsContact O-N 3.09Å
50K97.1Very high95.7Very high131 Ų13183.2 Ų83.257%0.5740%0.396SS*.Hα-helixtrans-60.2-48.5174.8-71.9167.6-173.31610111.5D46 T47 I48 L52 D53 E54D46-K50 WeakPolarHBondContact O-CG 3.36Å; D46-K50 PolarHBondContact O-N 2.8Å; D46-K50 VanDerWaalsContact O-N 3.1Å; T47-K50 PolarHBondContact O-N 3.49Å; I48-K50 PolarHBondContact O-N 3.42Å; K50-L52 VanDerWaalsContact C-N 3.35Å; K50-L52 PolarHBondContact O-N 2.96Å; K50-D53 PolarHBondContact O-N 2.98Å; K50-E54 WeakPolarHBondContact O-CG 3.49Å; K50-E54 PolarHBondContact O-N 3.29Å
51L97.6Very high96.2Very high10 Ų1081 Ų815%0.05238%0.383CS..Hα-helixtrans-61.4-41.6178.4-76.7170.4000112.1K28 E31 L32 I35 T47 I48 D53 E54 I55K28-L51 HydrophobicContact CB-CD2 4.49Å; E31-L51 HydrophobicContact CB-CD1 4.48Å; E31-L51 HydrophobicContact CG-CD1 3.99Å; E31-L51 HydrophobicContact CG-CD2 4.46Å; L32-L51 HydrophobicContact CB-CB 4.5Å; L32-L51 HydrophobicContact CB-CD1 4.33Å; L32-L51 HydrophobicContact CD1-CB 4.35Å; I35-L51 HydrophobicContact CD1-CD1 3.48Å; I35-L51 VanDerWaalsContact CD1-CD1 3.48Å; T47-L51 HydrophobicContact CG2-CD1 4.25Å; T47-L51 WeakPolarHBondContact O-CG 3.48Å; T47-L51 PolarHBondContact O-N 2.91Å; I48-L51 PolarHBondContact O-N 3Å; L51-D53 VanDerWaalsContact C-N 3.34Å; L51-D53 PolarHBondContact O-N 2.9Å; L51-E54 PolarHBondContact O-N 3.29Å; L51-I55 WeakPolarHBondContact O-CB 3.44Å; L51-I55 WeakPolarHBondContact O-CD1 3.49Å; L51-I55 WeakPolarHBondContact O-CG1 3.33Å; L51-I55 PolarHBondContact O-N 2.85Å
52L97.9Very high96.4Very high57 Ų5779.1 Ų79.130%0.29837%0.373SS..Hα-helixtrans-60.5-42.7176.3-77.7173000112.2L32 I48 Q49 K50 I55 K56L32-L52 HydrophobicContact CD1-CG 4.35Å; L32-L52 HydrophobicContact CD2-CD2 3.62Å; L32-L52 HydrophobicContact CD2-CG 4.21Å; I48-L52 HydrophobicContact CG2-CD1 3.92Å; I48-L52 HydrophobicContact CG2-CG 4.42Å; I48-L52 WeakPolarHBondContact O-CB 3.27Å; I48-L52 WeakPolarHBondContact O-CG 3.39Å; I48-L52 PolarHBondContact O-N 3.13Å; Q49-L52 PolarHBondContact O-N 3.44Å; K50-L52 VanDerWaalsContact C-N 3.35Å; K50-L52 PolarHBondContact O-N 2.96Å; L52-I55 PolarHBondContact O-N 3.18Å; L52-K56 WeakPolarHBondContact O-CB 3.36Å; L52-K56 VanDerWaalsContact O-CG 3.27Å; L52-K56 WeakPolarHBondContact O-CG 3.49Å; L52-K56 PolarHBondContact O-N 3.26Å
53D98.1Very high96.7Very high67 Ų6777.2 Ų77.236%0.35836%0.359SS..Hα-helixtrans-70.7-35.4179.3-69.7-25.2000112.1Q49 K50 L51 K56 R57Q49-D53 PolarHBondContact NE2-OD1 3.31Å; Q49-D53 PolarHBondContact NE2-OD2 3.38Å; Q49-D53 VanDerWaalsContact NE2-OD2 3.12Å; Q49-D53 PolarHBondContact O-N 3.24Å; Q49-D53 VanDerWaalsContact O-N 3.09Å; K50-D53 PolarHBondContact O-N 2.98Å; L51-D53 VanDerWaalsContact C-N 3.34Å; L51-D53 PolarHBondContact O-N 2.9Å; D53-K56 IonicContact OD1-NZ 3.4Å; D53-R57 WeakPolarHBondContact O-CB 3.46Å; D53-R57 PolarHBondContact O-N 3.47Å
54E97.6Very high96.9Very high79 Ų7973.5 Ų73.537%0.36934%0.344SS..Hα-helixtrans-64.2-46170.4-72.7-170.6-164.400112.9K28 K50 L51 K56 R57 E58K28-E54 HydrophobicContact CD-CB 4.21Å; K28-E54 VanDerWaalsContact CE-OE2 3.24Å; K28-E54 WeakPolarHBondContact CE-OE2 3.36Å; K28-E54 IonicContact NZ-OE2 2.73Å; K28-E54 PolarHBondContact NZ-OE2 2.96Å; K50-E54 WeakPolarHBondContact O-CG 3.49Å; K50-E54 PolarHBondContact O-N 3.29Å; L51-E54 PolarHBondContact O-N 3.29Å; E54-K56 VanDerWaalsContact C-N 3.34Å; E54-K56 PolarHBondContact O-N 3.36Å; E54-R57 PolarHBondContact O-N 3.43Å; E54-E58 WeakPolarHBondContact O-CB 3.37Å; E54-E58 PolarHBondContact O-N 2.89Å
55I98.2Very high97Very high25 Ų2572.8 Ų72.813%0.12834%0.34CS..Hα-helixtrans-59.5-45.2177.1-76165.6000110.5L25 K28 V29 L32 L51 L52 E58 K59L25-I55 HydrophobicContact CD1-CB 4.24Å; L25-I55 HydrophobicContact CD1-CG1 4.22Å; L25-I55 HydrophobicContact CD1-CG2 3.91Å; K28-I55 HydrophobicContact CB-CD1 4.19Å; K28-I55 HydrophobicContact CB-CG1 3.81Å; V29-I55 HydrophobicContact CG2-CD1 4.07Å; V29-I55 HydrophobicContact CG2-CG1 4.42Å; L32-I55 HydrophobicContact CB-CD1 4.21Å; L32-I55 HydrophobicContact CD2-CD1 3.78Å; L51-I55 WeakPolarHBondContact O-CB 3.44Å; L51-I55 WeakPolarHBondContact O-CD1 3.49Å; L51-I55 WeakPolarHBondContact O-CG1 3.33Å; L51-I55 PolarHBondContact O-N 2.85Å; L52-I55 PolarHBondContact O-N 3.18Å; I55-E58 PolarHBondContact O-N 3.49Å; I55-K59 VanDerWaalsContact O-CB 3.27Å; I55-K59 WeakPolarHBondContact O-CB 3.44Å; I55-K59 PolarHBondContact O-N 3.02Å
56K97.8Very high97.2Very high125 Ų12570.3 Ų70.354%0.54334%0.335SS..Hα-helixtrans-60.8-46.5176.6-74.8169.8-169.7163.50111.6L52 D53 E54 K59 Q60L52-K56 WeakPolarHBondContact O-CB 3.36Å; L52-K56 VanDerWaalsContact O-CG 3.27Å; L52-K56 WeakPolarHBondContact O-CG 3.49Å; L52-K56 PolarHBondContact O-N 3.26Å; D53-K56 IonicContact OD1-NZ 3.4Å; E54-K56 VanDerWaalsContact C-N 3.34Å; E54-K56 PolarHBondContact O-N 3.36Å; K56-K59 PolarHBondContact O-N 3.1Å; K56-Q60 PolarHBondContact O-N 3.1Å; K56-Q60 VanDerWaalsContact O-N 3.1Å
57R97.6Very high97.3Very high152 Ų15271.7 Ų71.757%0.57434%0.338SS*.Hα-helixtrans-61.9-46.9178.5-173.6-173.9-60.7105.72.5111.2D53 E54 Q60 L61D53-R57 WeakPolarHBondContact O-CB 3.46Å; D53-R57 PolarHBondContact O-N 3.47Å; E54-R57 PolarHBondContact O-N 3.43Å; R57-Q60 WeakPolarHBondContact O-CB 3.39Å; R57-Q60 PolarHBondContact O-N 3.44Å; R57-L61 WeakPolarHBondContact O-CG 3.42Å; R57-L61 PolarHBondContact O-N 2.74Å
58E97.3Very high97.3Very high15 Ų1572.6 Ų72.67%0.0734%0.341CS..Hα-helixtrans-66-40.6-178.9-172160.4-168.600112.1M21 S24 L25 K28 E54 I55 Q60 L61 M62M21-E58 HydrophobicContact CE-CG 3.99Å; M21-E58 WeakPolarHBondContact CE-O 3.42Å; S24-E58 WeakPolarHBondContact CB-OE1 3.35Å; S24-E58 PolarHBondContact OG-OE1 3.09Å; S24-E58 PolarHBondContact OG-OE2 3.41Å; L25-E58 HydrophobicContact CB-CG 4.28Å; L25-E58 HydrophobicContact CD1-CB 4.31Å; L25-E58 HydrophobicContact CD1-CG 4.4Å; L25-E58 PolarHBondContact N-OE1 3.01Å; K28-E58 WeakPolarHBondContact CD-OE2 3.45Å; K28-E58 WeakPolarHBondContact CE-OE2 3.3Å; K28-E58 IonicContact NZ-OE2 3.42Å; K28-E58 PolarHBondContact NZ-OE2 3.1Å; E54-E58 WeakPolarHBondContact O-CB 3.37Å; E54-E58 PolarHBondContact O-N 2.89Å; I55-E58 PolarHBondContact O-N 3.49Å; E58-Q60 VanDerWaalsContact C-N 3.28Å; E58-Q60 PolarHBondContact O-N 3.28Å; E58-L61 PolarHBondContact O-N 2.96Å; E58-M62 WeakPolarHBondContact O-CG 3.44Å; E58-M62 PolarHBondContact O-N 3.04Å
59K97Very high97.4Very high124 Ų12473 Ų7354%0.53934%0.342SS..Hα-helixtrans-57.5-40.8171.7-179.2180177.8177.40112.1I55 K56 M62 R63I55-K59 VanDerWaalsContact O-CB 3.27Å; I55-K59 WeakPolarHBondContact O-CB 3.44Å; I55-K59 PolarHBondContact O-N 3.02Å; K56-K59 PolarHBondContact O-N 3.1Å; K59-M62 PolarHBondContact O-N 3.46Å; K59-R63 PolarHBondContact O-N 3.5Å; K59-R63 VanDerWaalsContact O-N 3.09Å
60Q97.4Very high97.3Very high76 Ų7675.5 Ų75.536%0.35535%0.352SS..Hα-helixtrans-65.4-47.9177.2-177.85544.200111.1K56 R57 E58 M62 R63 D64K56-Q60 PolarHBondContact O-N 3.1Å; K56-Q60 VanDerWaalsContact O-N 3.1Å; R57-Q60 WeakPolarHBondContact O-CB 3.39Å; R57-Q60 PolarHBondContact O-N 3.44Å; E58-Q60 VanDerWaalsContact C-N 3.28Å; E58-Q60 PolarHBondContact O-N 3.28Å; Q60-M62 VanDerWaalsContact C-N 3.26Å; Q60-M62 PolarHBondContact O-N 3.01Å; Q60-R63 WeakPolarHBondContact O-CB 3.38Å; Q60-R63 PolarHBondContact O-N 3.19Å; Q60-R63 VanDerWaalsContact O-N 3.1Å; Q60-D64 VanDerWaalsContact NE2-CG 3.34Å; Q60-D64 PolarHBondContact NE2-OD1 3.18Å; Q60-D64 PolarHBondContact NE2-OD2 2.87Å; Q60-D64 VanDerWaalsContact O-CG 3.29Å; Q60-D64 PolarHBondContact O-N 3.46Å
61L95.6Very high97.2Very high95 Ų9570.7 Ų70.750%0.49734%0.339SS..Hα-helixtrans-58.5-38.1176.1-70173.7000112.2M21 R57 E58 D64 E65M21-L61 HydrophobicContact CE-CB 3.2Å; M21-L61 HydrophobicContact CE-CD1 4.27Å; M21-L61 HydrophobicContact CE-CG 4.38Å; M21-L61 HydrophobicContact SD-CB 4.34Å; R57-L61 WeakPolarHBondContact O-CG 3.42Å; R57-L61 PolarHBondContact O-N 2.74Å; E58-L61 PolarHBondContact O-N 2.96Å; L61-D64 PolarHBondContact O-N 3.5Å; L61-E65 WeakPolarHBondContact O-CB 3.45Å; L61-E65 PolarHBondContact O-N 3.34Å
62M97.8Very high97.1Very high31 Ų3171.6 Ų71.615%0.15334%0.344CS..Hα-helixtrans-66.1-39.8177.4-74.9-178.863.400111.7L18 M21 T22 L25 E58 K59 Q60 D64 E65 A66L18-M62 HydrophobicContact CD1-CB 3.88Å; L18-M62 HydrophobicContact CD1-CE 4Å; L18-M62 HydrophobicContact CD1-CG 4.02Å; M21-M62 HydrophobicContact CB-CG 3.62Å; M21-M62 HydrophobicContact CB-SD 4.15Å; M21-M62 HydrophobicContact CE-CB 4.36Å; M21-M62 HydrophobicContact CE-CG 3.55Å; M21-M62 HydrophobicContact CG-CG 4.46Å; M21-M62 HydrophobicContact SD-CG 4.04Å; T22-M62 HydrophobicContact CG2-CE 4.39Å; T22-M62 WeakPolarHBondContact OG1-CE 3.24Å; L25-M62 HydrophobicContact CB-SD 4.05Å; L25-M62 HydrophobicContact CD2-CE 4.44Å; L25-M62 HydrophobicContact CD2-SD 3.53Å; L25-M62 VanDerWaalsContact CD2-SD 3.53Å; L25-M62 HydrophobicContact CG-SD 4.4Å; E58-M62 WeakPolarHBondContact O-CG 3.44Å; E58-M62 PolarHBondContact O-N 3.04Å; K59-M62 PolarHBondContact O-N 3.46Å; Q60-M62 VanDerWaalsContact C-N 3.26Å; Q60-M62 PolarHBondContact O-N 3.01Å; M62-D64 VanDerWaalsContact C-N 3.35Å; M62-E65 PolarHBondContact O-N 3.22Å; M62-A66 WeakPolarHBondContact O-CB 2.86Å; M62-A66 PolarHBondContact O-N 3.3Å
63R97.8Very high96.9Very high121 Ų12172.8 Ų72.846%0.45735%0.35SS..Hα-helixtrans-62.4-45.2175.1-179-171.4-67.7157.1-10.5110.5K59 Q60 E65 A66 H67K59-R63 PolarHBondContact O-N 3.5Å; K59-R63 VanDerWaalsContact O-N 3.09Å; Q60-R63 WeakPolarHBondContact O-CB 3.38Å; Q60-R63 PolarHBondContact O-N 3.19Å; Q60-R63 VanDerWaalsContact O-N 3.1Å; R63-E65 VanDerWaalsContact C-N 3.34Å; R63-E65 PolarHBondContact O-N 3.02Å; R63-A66 PolarHBondContact O-N 2.88Å; R63-H67 PolarHBondContact O-CD2 2.9Å; R63-H67 PolarHBondContact O-N 3.21Å
64D97.2Very high96.6Very high67 Ų6773 Ų7336%0.35836%0.356SS..Hα-helixtrans-62.7-43.1178.8-63.4-26.5000111Q60 L61 M62 A66 H67 I68Q60-D64 VanDerWaalsContact NE2-CG 3.34Å; Q60-D64 PolarHBondContact NE2-OD1 3.18Å; Q60-D64 PolarHBondContact NE2-OD2 2.87Å; Q60-D64 VanDerWaalsContact O-CG 3.29Å; Q60-D64 PolarHBondContact O-N 3.46Å; L61-D64 PolarHBondContact O-N 3.5Å; M62-D64 VanDerWaalsContact C-N 3.35Å; D64-A66 PolarHBondContact O-N 2.93Å; D64-H67 PolarHBondContact O-N 3.41Å; D64-I68 WeakPolarHBondContact O-CG1 3.5Å; D64-I68 PolarHBondContact O-N 3.1Å
65E97.2Very high96.3Very high11 Ų1175 Ų755%0.05136%0.364CS..Hα-helixtrans-62.3-44.2176.4-160.271.4175.100111.9R14 H17 L18 L61 M62 R63 H67 I68 I69R14-E65 WeakPolarHBondContact CD-OE1 3.49Å; R14-E65 IonicContact CZ-OE1 3.82Å; R14-E65 IonicContact CZ-OE2 3.54Å; R14-E65 IonicContact NE-OE1 3.8Å; R14-E65 VanDerWaalsContact NH1-CD 3.26Å; R14-E65 IonicContact NH1-OE1 3.16Å; R14-E65 PolarHBondContact NH1-OE1 3.37Å; R14-E65 IonicContact NH1-OE2 2.88Å; R14-E65 PolarHBondContact NH1-OE2 3.19Å; H17-E65 IonicContact CE1-OE1 3.48Å; H17-E65 IonicContact CG-OE1 3.98Å; H17-E65 VanDerWaalsContact ND1-CD 3.29Å; H17-E65 IonicContact ND1-OE1 3.5Å; H17-E65 PolarHBondContact ND1-OE1 3.42Å; H17-E65 IonicContact ND1-OE2 3.31Å; L18-E65 HydrophobicContact CB-CG 4.05Å; L18-E65 HydrophobicContact CD1-CB 4.32Å; L61-E65 WeakPolarHBondContact O-CB 3.45Å; L61-E65 PolarHBondContact O-N 3.34Å; M62-E65 PolarHBondContact O-N 3.22Å; R63-E65 VanDerWaalsContact C-N 3.34Å; R63-E65 PolarHBondContact O-N 3.02Å; E65-H67 VanDerWaalsContact C-N 3.31Å; E65-H67 PolarHBondContact O-N 2.88Å; E65-I68 PolarHBondContact O-N 2.93Å; E65-I69 HydrophobicContact CG-CD1 4.34Å; E65-I69 WeakPolarHBondContact O-CG1 3.26Å; E65-I69 PolarHBondContact O-N 3.32Å
66A97.3Very high96Very high45 Ų4573.9 Ų73.937%0.37236%0.358SS..Hα-helixtrans-61.7-38.5175.600000112.1L18 M62 R63 D64 K70L18-A66 HydrophobicContact CD2-CB 4.37Å; M62-A66 WeakPolarHBondContact O-CB 2.86Å; M62-A66 PolarHBondContact O-N 3.3Å; R63-A66 PolarHBondContact O-N 2.88Å; D64-A66 PolarHBondContact O-N 2.93Å; A66-K70 WeakPolarHBondContact O-CB 3.46Å; A66-K70 PolarHBondContact O-N 3.41Å
67H97.9Very high95.5Very high118 Ų11873 Ų7355%0.54636%0.357SS..Hα-helixtrans-65.8-40.6174.6-77.7-54.2000112.5R63 D64 E65 K70 G71R63-H67 PolarHBondContact O-CD2 2.9Å; R63-H67 PolarHBondContact O-N 3.21Å; D64-H67 PolarHBondContact O-N 3.41Å; E65-H67 VanDerWaalsContact C-N 3.31Å; E65-H67 PolarHBondContact O-N 2.88Å; H67-K70 PolarHBondContact O-N 2.87Å; H67-G71 PolarHBondContact O-N 3.49Å
68I96.2Very high95.1Very high62 Ų6273.1 Ų73.132%0.31836%0.359SS..Hα-helixtrans-61.8-49.7175.2-68.8165.4000110.2D64 E65 K70 G71 E72D64-I68 WeakPolarHBondContact O-CG1 3.5Å; D64-I68 PolarHBondContact O-N 3.1Å; E65-I68 PolarHBondContact O-N 2.93Å; I68-K70 PolarHBondContact O-N 3.5Å; I68-G71 PolarHBondContact O-N 3.44Å; I68-E72 WeakPolarHBondContact O-CB 3.5Å; I68-E72 PolarHBondContact O-N 2.92Å
69I97.1Very high94.7Very high27 Ų2776 Ų7614%0.13838%0.375CS..Hα-helixtrans-57-51178.6-69.3165.7000110.3L11 R14 L18 E65 G71 E72 L73L11-I69 HydrophobicContact CD2-CB 4.36Å; L11-I69 HydrophobicContact CD2-CG2 4.01Å; L11-I69 WeakPolarHBondContact CD2-O 3.32Å; R14-I69 HydrophobicContact CB-CD1 4.08Å; R14-I69 HydrophobicContact CB-CG1 3.63Å; L18-I69 HydrophobicContact CB-CD1 4.24Å; L18-I69 HydrophobicContact CD2-CD1 3.91Å; E65-I69 HydrophobicContact CG-CD1 4.34Å; E65-I69 WeakPolarHBondContact O-CG1 3.26Å; E65-I69 PolarHBondContact O-N 3.32Å; I69-G71 VanDerWaalsContact C-N 3.34Å; I69-G71 PolarHBondContact O-N 2.91Å; I69-E72 PolarHBondContact O-N 3.32Å; I69-L73 VanDerWaalsContact O-CB 3.26Å; I69-L73 WeakPolarHBondContact O-CB 3.46Å; I69-L73 PolarHBondContact O-N 2.89Å
70K95.8Very high94.2Very high147 Ų14771.2 Ų71.264%0.63935%0.354SS*.Hα-helixtrans-59.5-45.3179-177.5179.3178.3178.90111.7A66 H67 I68 S74A66-K70 WeakPolarHBondContact O-CB 3.46Å; A66-K70 PolarHBondContact O-N 3.41Å; H67-K70 PolarHBondContact O-N 2.87Å; I68-K70 PolarHBondContact O-N 3.5Å; K70-S74 WeakPolarHBondContact O-CB 3.5Å; K70-S74 PolarHBondContact O-N 3.48Å; K70-S74 PolarHBondContact O-OG 3.32Å; K70-S74 VanDerWaalsContact O-OG 3.06Å
71G95.3Very high93.7Very high30 Ų3069.3 Ų69.331%0.30935%0.347SS..Hα-helixtrans-63.2-44.5-179.700000112.4H67 I68 I69 K75H67-G71 PolarHBondContact O-N 3.49Å; I68-G71 PolarHBondContact O-N 3.44Å; I69-G71 VanDerWaalsContact C-N 3.34Å; I69-G71 PolarHBondContact O-N 2.91Å; G71-K75 VanDerWaalsContact O-CG 3.31Å; G71-K75 WeakPolarHBondContact O-CG 3.48Å; G71-K75 PolarHBondContact O-N 2.94Å; G71-K75 VanDerWaalsContact O-N 3.15Å
72E94.6Very high93.3Very high30 Ų3068.1 Ų68.114%0.1434%0.34CS..Hα-helixtrans-71.9-39.7-178.9-169.460.9-152.900112.1R7 Y10 L11 I68 I69 K75 T76R7-E72 WeakPolarHBondContact CD-OE1 3.4Å; R7-E72 IonicContact CZ-OE1 2.68Å; R7-E72 IonicContact NE-OE1 3.86Å; R7-E72 IonicContact NH1-OE1 3.82Å; R7-E72 PolarHBondContact NH1-OE1 3.21Å; R7-E72 IonicContact NH1-OE2 3.52Å; Y10-E72 HydrophobicContact CD1-CG 4Å; Y10-E72 HydrophobicContact CE1-CG 4.02Å; L11-E72 HydrophobicContact CD1-CG 4.46Å; L11-E72 HydrophobicContact CD2-CB 3.91Å; L11-E72 HydrophobicContact CD2-CG 4.2Å; L11-E72 HydrophobicContact CG-CB 4.4Å; L11-E72 HydrophobicContact CG-CG 4.14Å; I68-E72 WeakPolarHBondContact O-CB 3.5Å; I68-E72 PolarHBondContact O-N 2.92Å; I69-E72 PolarHBondContact O-N 3.32Å; E72-K75 PolarHBondContact O-N 2.95Å; E72-T76 VanDerWaalsContact O-CB 3.26Å; E72-T76 WeakPolarHBondContact O-CB 3.37Å; E72-T76 PolarHBondContact O-N 3.49Å; E72-T76 PolarHBondContact O-OG1 3.21Å
73L93.3Very high92.8Very high81 Ų8170 Ų7042%0.42435%0.345SS..Hα-helixtrans-61.1-47.9174.6-178.763.4000111.1L11 I69 K75 T76 M77L11-L73 HydrophobicContact CD1-CB 4.22Å; L11-L73 HydrophobicContact CD1-CD1 4.14Å; L11-L73 HydrophobicContact CD2-CB 4.38Å; I69-L73 VanDerWaalsContact O-CB 3.26Å; I69-L73 WeakPolarHBondContact O-CB 3.46Å; I69-L73 PolarHBondContact O-N 2.89Å; L73-K75 VanDerWaalsContact C-N 3.34Å; L73-K75 PolarHBondContact O-N 2.96Å; L73-T76 PolarHBondContact O-N 3.13Å; L73-M77 HydrophobicContact CD1-CG 4Å; L73-M77 HydrophobicContact CG-CG 4.31Å; L73-M77 WeakPolarHBondContact O-CB 3.39Å; L73-M77 VanDerWaalsContact O-CG 3.27Å; L73-M77 WeakPolarHBondContact O-CG 3.49Å; L73-M77 PolarHBondContact O-N 2.84Å
74S92.7Very high92.2Very high71 Ų7168.7 Ų68.750%0.49734%0.341SS..Hα-helixtrans-58.8-44.2177.9-69.10000112.3K70 Y78K70-S74 WeakPolarHBondContact O-CB 3.5Å; K70-S74 PolarHBondContact O-N 3.48Å; K70-S74 PolarHBondContact O-OG 3.32Å; K70-S74 VanDerWaalsContact O-OG 3.06Å; S74-Y78 VanDerWaalsContact O-CB 3.29Å; S74-Y78 WeakPolarHBondContact O-CB 3.34Å; S74-Y78 PolarHBondContact O-N 3.4Å
75K91.3Very high91.6Very high121 Ų12171.6 Ų71.653%0.52635%0.347SS..Hα-helixtrans-63.7-47.3177-73.1172.6-175.9176.90111.6G71 E72 L73 Y78 N79G71-K75 VanDerWaalsContact O-CG 3.31Å; G71-K75 WeakPolarHBondContact O-CG 3.48Å; G71-K75 PolarHBondContact O-N 2.94Å; G71-K75 VanDerWaalsContact O-N 3.15Å; E72-K75 PolarHBondContact O-N 2.95Å; L73-K75 VanDerWaalsContact C-N 3.34Å; L73-K75 PolarHBondContact O-N 2.96Å; K75-Y78 PolarHBondContact O-N 2.81Å; K75-N79 WeakPolarHBondContact O-CB 3.5Å; K75-N79 VanDerWaalsContact O-CG 3.27Å; K75-N79 PolarHBondContact O-N 2.93Å
76T91Very high91Very high3 Ų377.7 Ų77.72%0.01838%0.379CS..Hα-helixtrans-63.1-45-177.7-58.60000111F4 R7 E72 L73 E80F4-T76 HydrophobicContact CD2-CG2 3.52Å; F4-T76 HydrophobicContact CE2-CG2 3.41Å; F4-T76 VanDerWaalsContact CE2-CG2 3.41Å; F4-T76 HydrophobicContact CZ-CG2 4.35Å; R7-T76 HydrophobicContact CB-CG2 4.11Å; R7-T76 WeakPolarHBondContact CD-OG1 3.29Å; E72-T76 VanDerWaalsContact O-CB 3.26Å; E72-T76 WeakPolarHBondContact O-CB 3.37Å; E72-T76 PolarHBondContact O-N 3.49Å; E72-T76 PolarHBondContact O-OG1 3.21Å; L73-T76 PolarHBondContact O-N 3.13Å; T76-E80 WeakPolarHBondContact O-CB 3.27Å; T76-E80 PolarHBondContact O-N 3.35Å; T76-E80 VanDerWaalsContact O-N 3.08Å
77M88.1Confident90.5Very high105 Ų10578.2 Ų78.252%0.51738%0.383SS..Hα-helixtrans-62.9-48.1175.1-73.6-64.4-58.600112.1L73 N79 E80 D81L73-M77 HydrophobicContact CD1-CG 4Å; L73-M77 HydrophobicContact CG-CG 4.31Å; L73-M77 WeakPolarHBondContact O-CB 3.39Å; L73-M77 VanDerWaalsContact O-CG 3.27Å; L73-M77 WeakPolarHBondContact O-CG 3.49Å; L73-M77 PolarHBondContact O-N 2.84Å; M77-N79 PolarHBondContact O-N 2.96Å; M77-E80 PolarHBondContact O-N 3.49Å; M77-D81 WeakPolarHBondContact O-CB 3.48Å; M77-D81 PolarHBondContact O-N 3.11Å
78Y89.4Confident89.6Confident156 Ų15675.1 Ų75.161%0.61238%0.383SS*.Hα-helixtrans-59.5-45.9179.2175.8-97.1000112.3S74 K75 E80 D81 L82S74-Y78 VanDerWaalsContact O-CB 3.29Å; S74-Y78 WeakPolarHBondContact O-CB 3.34Å; S74-Y78 PolarHBondContact O-N 3.4Å; K75-Y78 PolarHBondContact O-N 2.81Å; Y78-E80 PolarHBondContact O-N 3.29Å; Y78-D81 PolarHBondContact O-N 2.92Å; Y78-L82 HydrophobicContact CE1-CD2 4.37Å; Y78-L82 WeakPolarHBondContact O-CB 3.49Å; Y78-L82 PolarHBondContact O-N 2.89Å
79N88.6Confident88.9Confident75 Ų7575.8 Ų75.840%0.40139%0.385SS..Hα-helixtrans-64.4-40.6179.8-73.2-11.8000111.9K75 M77 L82 R83K75-N79 WeakPolarHBondContact O-CB 3.5Å; K75-N79 VanDerWaalsContact O-CG 3.27Å; K75-N79 PolarHBondContact O-N 2.93Å; M77-N79 PolarHBondContact O-N 2.96Å; N79-L82 PolarHBondContact O-N 2.9Å; N79-R83 WeakPolarHBondContact O-CB 3.44Å; N79-R83 PolarHBondContact O-N 3.33Å
80E86.8Confident87.5Confident24 Ų2477.9 Ų77.911%0.11239%0.391CS..Hα-helixtrans-68-40.3176.7178.756.1-161.700111.8F4 T76 M77 Y78 L82 R83 R84F4-E80 HydrophobicContact CD2-CB 3.91Å; F4-E80 HydrophobicContact CD2-CG 4.26Å; F4-E80 HydrophobicContact CE2-CB 3.52Å; F4-E80 HydrophobicContact CE2-CG 3.76Å; F4-E80 HydrophobicContact CZ-CB 4.32Å; F4-E80 HydrophobicContact CZ-CG 4.08Å; T76-E80 WeakPolarHBondContact O-CB 3.27Å; T76-E80 PolarHBondContact O-N 3.35Å; T76-E80 VanDerWaalsContact O-N 3.08Å; M77-E80 PolarHBondContact O-N 3.49Å; Y78-E80 PolarHBondContact O-N 3.29Å; E80-L82 VanDerWaalsContact C-N 3.33Å; E80-L82 PolarHBondContact O-N 3.32Å; E80-R83 WeakPolarHBondContact O-CB 3.38Å; E80-R83 PolarHBondContact O-N 3.02Å; E80-R83 IonicContact OE1-CZ 3.94Å; E80-R83 IonicContact OE1-NE 3.63Å; E80-R83 PolarHBondContact OE1-NE 2.74Å; E80-R83 IonicContact OE1-NH2 3.85Å; E80-R83 PolarHBondContact OE1-NH2 2.89Å; E80-R83 IonicContact OE2-CZ 3.73Å; E80-R83 IonicContact OE2-NE 2.81Å; E80-R83 PolarHBondContact OE2-NE 3.39Å; E80-R83 IonicContact OE2-NH2 3.7Å; E80-R84 WeakPolarHBondContact O-CB 3.35Å; E80-R84 VanDerWaalsContact O-CG 3.26Å; E80-R84 WeakPolarHBondContact O-CG 3.42Å; E80-R84 PolarHBondContact O-N 2.89Å; E80-R84 IonicContact OE1-CZ 3.69Å; E80-R84 IonicContact OE1-NE 2.93Å; E80-R84 PolarHBondContact OE1-NE 3.02Å; E80-R84 IonicContact OE1-NH2 3.73Å
81D86.4Confident86.1Confident36 Ų3679.7 Ų79.719%0.19340%0.399CS..Hα-helixtrans-61.7-42.5174.7-130.848.7000111.1M77 Y78 R84 R85M77-D81 WeakPolarHBondContact O-CB 3.48Å; M77-D81 PolarHBondContact O-N 3.11Å; Y78-D81 PolarHBondContact O-N 2.92Å; D81-R84 PolarHBondContact O-N 3.26Å; D81-R85 WeakPolarHBondContact O-CG 3.26Å; D81-R85 PolarHBondContact O-N 3.02Å; D81-R85 IonicContact OD2-NH2 3.84Å; D81-R85 PolarHBondContact OD2-NH2 2.86Å
82L87.5Confident84.7Confident69 Ų6985.9 Ų85.936%0.36142%0.417SS..Hα-helixtrans-64.8-43.8175.4-178.262.1000111.8Y78 N79 E80 R84 R85 L86Y78-L82 HydrophobicContact CE1-CD2 4.37Å; Y78-L82 WeakPolarHBondContact O-CB 3.49Å; Y78-L82 PolarHBondContact O-N 2.89Å; N79-L82 PolarHBondContact O-N 2.9Å; E80-L82 VanDerWaalsContact C-N 3.33Å; E80-L82 PolarHBondContact O-N 3.32Å; L82-R84 VanDerWaalsContact C-N 3.31Å; L82-R84 PolarHBondContact O-N 3.45Å; L82-R85 WeakPolarHBondContact O-CB 3.27Å; L82-R85 PolarHBondContact O-N 3.2Å; L82-L86 HydrophobicContact CD1-CD1 4.39Å; L82-L86 HydrophobicContact CD1-CG 4.42Å; L82-L86 HydrophobicContact CG-CD1 4.16Å; L82-L86 WeakPolarHBondContact O-CG 3.32Å; L82-L86 PolarHBondContact O-N 3.32Å
83R87.1Confident83.3Confident70 Ų7085.4 Ų85.426%0.26442%0.415SS..Hα-helixtrans-56.7-47.6174.8-173.5-158.867.474.50.7110.6M1 N79 E80 R85 L86 A87 E89M1-R83 HydrophobicContact CE-CG 4.49Å; N79-R83 WeakPolarHBondContact O-CB 3.44Å; N79-R83 PolarHBondContact O-N 3.33Å; E80-R83 WeakPolarHBondContact O-CB 3.38Å; E80-R83 PolarHBondContact O-N 3.02Å; E80-R83 IonicContact OE1-CZ 3.94Å; E80-R83 IonicContact OE1-NE 3.63Å; E80-R83 PolarHBondContact OE1-NE 2.74Å; E80-R83 IonicContact OE1-NH2 3.85Å; E80-R83 PolarHBondContact OE1-NH2 2.89Å; E80-R83 IonicContact OE2-CZ 3.73Å; E80-R83 IonicContact OE2-NE 2.81Å; E80-R83 PolarHBondContact OE2-NE 3.39Å; E80-R83 IonicContact OE2-NH2 3.7Å; R83-R85 VanDerWaalsContact C-N 3.33Å; R83-R85 PolarHBondContact O-N 2.81Å; R83-L86 PolarHBondContact O-N 2.83Å; R83-A87 VanDerWaalsContact O-CB 3.31Å; R83-A87 WeakPolarHBondContact O-CB 3.29Å; R83-A87 PolarHBondContact O-N 3.22Å; R83-E89 IonicContact CZ-OE1 2.88Å; R83-E89 IonicContact NH1-OE1 3.58Å; R83-E89 PolarHBondContact NH1-OE1 3.15Å; R83-E89 VanDerWaalsContact NH1-OE1 3.16Å; R83-E89 IonicContact NH2-OE1 3.34Å; R83-E89 IonicContact NH2-OE2 2.78Å; R83-E89 PolarHBondContact NH2-OE2 3.06Å
84R84.8Confident81.9Confident95 Ų9584.6 Ų84.636%0.35841%0.412SS..Hα-helixtrans-61.9-38.1178.6-71.7171.9179.4-141.32.8112.4E80 D81 L82 G88 E89 I93E80-R84 WeakPolarHBondContact O-CB 3.35Å; E80-R84 VanDerWaalsContact O-CG 3.26Å; E80-R84 WeakPolarHBondContact O-CG 3.42Å; E80-R84 PolarHBondContact O-N 2.89Å; E80-R84 IonicContact OE1-CZ 3.69Å; E80-R84 IonicContact OE1-NE 2.93Å; E80-R84 PolarHBondContact OE1-NE 3.02Å; E80-R84 IonicContact OE1-NH2 3.73Å; D81-R84 PolarHBondContact O-N 3.26Å; L82-R84 VanDerWaalsContact C-N 3.31Å; L82-R84 PolarHBondContact O-N 3.45Å; R84-G88 PolarHBondContact O-N 3.37Å; R84-E89 HydrophobicContact CB-CB 4.39Å; R84-E89 WeakPolarHBondContact O-CB 3.42Å; R84-E89 PolarHBondContact O-N 2.86Å; R84-I93 HydrophobicContact CB-CD1 3.64Å; R84-I93 HydrophobicContact CG-CD1 4.11Å
85R85.3Confident80.8Confident127 Ų12783.8 Ų83.848%0.47941%0.409SS..Hα-helixtrans-59.5-53.5171.9-72.9174.7-162.5-156.27111.3D81 L82 R83 A87 G88 W90D81-R85 WeakPolarHBondContact O-CG 3.26Å; D81-R85 PolarHBondContact O-N 3.02Å; D81-R85 IonicContact OD2-NH2 3.84Å; D81-R85 PolarHBondContact OD2-NH2 2.86Å; L82-R85 WeakPolarHBondContact O-CB 3.27Å; L82-R85 PolarHBondContact O-N 3.2Å; R83-R85 VanDerWaalsContact C-N 3.33Å; R83-R85 PolarHBondContact O-N 2.81Å; R85-A87 VanDerWaalsContact C-N 3.29Å; R85-A87 PolarHBondContact O-N 3.21Å; R85-G88 PolarHBondContact O-N 3.45Å; R85-W90 HydrophobicContact CB-CG 4.29Å; R85-W90 HydrophobicContact CG-CB 4.43Å; R85-W90 HydrophobicContact CG-CD2 3.81Å; R85-W90 HydrophobicContact CG-CG 3.49Å; R85-W90 VanDerWaalsContact CG-CG 3.49Å; R85-W90 HydrophobicContact CG-CZ2 4.43Å; R85-W90 VanDerWaalsContact NE-CZ2 3.27Å; R85-W90 VanDerWaalsContact NE-NE1 3.18Å
86L85.2Confident79.8Confident140 Ų14082.9 Ų82.973%0.73341%0.41SS*.Hα-helixtrans-64.7-34.3-177-69.5172.9000112.3L82 R83 G88L82-L86 HydrophobicContact CD1-CD1 4.39Å; L82-L86 HydrophobicContact CD1-CG 4.42Å; L82-L86 HydrophobicContact CG-CD1 4.16Å; L82-L86 WeakPolarHBondContact O-CG 3.32Å; L82-L86 PolarHBondContact O-N 3.32Å; R83-L86 PolarHBondContact O-N 2.83Å; L86-G88 PolarHBondContact O-N 2.97Å
87A85.3Confident78.9Confident55 Ų5589.7 Ų89.746%0.45544%0.436SS..THydrogen-bonded Turntrans-72.7-3.5174.700000113.6R83 R85 E89R83-A87 VanDerWaalsContact O-CB 3.31Å; R83-A87 WeakPolarHBondContact O-CB 3.29Å; R83-A87 PolarHBondContact O-N 3.22Å; R85-A87 VanDerWaalsContact C-N 3.29Å; R85-A87 PolarHBondContact O-N 3.21Å; A87-E89 HydrophobicContact CB-CG 4Å; A87-E89 PolarHBondContact O-N 2.91Å
88G80.6Confident78.1Confident53 Ų5392.2 Ų92.255%0.54644%0.444SS..THydrogen-bonded Turntrans746.7-177.700000114.2R84 R85 L86 W90R84-G88 PolarHBondContact O-N 3.37Å; R85-G88 PolarHBondContact O-N 3.45Å; L86-G88 PolarHBondContact O-N 2.97Å; G88-W90 PolarHBondContact O-N 3.37Å
89E80.4Confident77.1Confident77 Ų7787.6 Ų87.636%0.3643%0.434SS..THydrogen-bonded Turntrans-71.3-9.8178.3-63171.4-151.400112.1R83 R84 A87 K91 K92 I93R83-E89 IonicContact CZ-OE1 2.88Å; R83-E89 IonicContact NH1-OE1 3.58Å; R83-E89 PolarHBondContact NH1-OE1 3.15Å; R83-E89 VanDerWaalsContact NH1-OE1 3.16Å; R83-E89 IonicContact NH2-OE1 3.34Å; R83-E89 IonicContact NH2-OE2 2.78Å; R83-E89 PolarHBondContact NH2-OE2 3.06Å; R84-E89 HydrophobicContact CB-CB 4.39Å; R84-E89 WeakPolarHBondContact O-CB 3.42Å; R84-E89 PolarHBondContact O-N 2.86Å; A87-E89 HydrophobicContact CB-CG 4Å; A87-E89 PolarHBondContact O-N 2.91Å; E89-K91 VanDerWaalsContact C-N 3.27Å; E89-K91 PolarHBondContact O-N 3.41Å; E89-K92 PolarHBondContact O-N 3.04Å; E89-I93 PolarHBondContact O-N 3.45Å
90W68.1Low76.2Confident70 Ų7087.2 Ų87.227%0.26544%0.437SS..Hα-helixtrans-60.5-31.1-175.3-124.859.1000115R85 G88 K92 I93 D94R85-W90 HydrophobicContact CB-CG 4.29Å; R85-W90 HydrophobicContact CG-CB 4.43Å; R85-W90 HydrophobicContact CG-CD2 3.81Å; R85-W90 HydrophobicContact CG-CG 3.49Å; R85-W90 VanDerWaalsContact CG-CG 3.49Å; R85-W90 HydrophobicContact CG-CZ2 4.43Å; R85-W90 VanDerWaalsContact NE-CZ2 3.27Å; R85-W90 VanDerWaalsContact NE-NE1 3.18Å; G88-W90 PolarHBondContact O-N 3.37Å; W90-K92 VanDerWaalsContact C-N 3.26Å; W90-K92 PolarHBondContact O-N 2.89Å; W90-I93 PolarHBondContact O-N 2.93Å; W90-D94 PolarHBondContact O-N 3.25Å
91K66.7Low75.3Confident186 Ų18688.3 Ų88.381%0.80945%0.451SS*.Hα-helixtrans-64.2-31.3175.7-68.1-175179.6-179.60112.7E89E89-K91 VanDerWaalsContact C-N 3.27Å; E89-K91 PolarHBondContact O-N 3.41Å
92K65.5Low74.4Confident159 Ų15989.2 Ų89.269%0.69146%0.463SS*.Hα-helixtrans-75.5-38.5174.1-73.1-176.5175-178.20111.1E89 W90 A95 D96E89-K92 PolarHBondContact O-N 3.04Å; W90-K92 VanDerWaalsContact C-N 3.26Å; W90-K92 PolarHBondContact O-N 2.89Å; K92-A95 WeakPolarHBondContact O-CB 3.48Å; K92-A95 PolarHBondContact O-N 3.4Å; K92-D96 WeakPolarHBondContact O-CB 3.38Å; K92-D96 VanDerWaalsContact O-CG 3.22Å; K92-D96 PolarHBondContact O-N 3.5Å
93I64.7Low73.2Confident20 Ų2092.3 Ų92.310%0.10348%0.476CS..Hα-helixtrans-65.5-41.9-179.7-62.4168000112.3R84 E89 W90 A95 D96 R97R84-I93 HydrophobicContact CB-CD1 3.64Å; R84-I93 HydrophobicContact CG-CD1 4.11Å; E89-I93 PolarHBondContact O-N 3.45Å; W90-I93 PolarHBondContact O-N 2.93Å; I93-A95 VanDerWaalsContact C-N 3.3Å; I93-A95 PolarHBondContact O-N 3.49Å; I93-D96 PolarHBondContact O-N 3.16Å; I93-R97 WeakPolarHBondContact O-CB 3.31Å; I93-R97 WeakPolarHBondContact O-CG 3.29Å; I93-R97 PolarHBondContact O-N 2.93Å
94D64.9Low72.1Confident65 Ų6592.4 Ų92.435%0.34849%0.487SS..Hα-helixtrans-65.9-34.8175.5-86.6-17.1000112W90 K98W90-D94 PolarHBondContact O-N 3.25Å; D94-K98 WeakPolarHBondContact O-CB 3.47Å; D94-K98 VanDerWaalsContact O-CG 3.29Å; D94-K98 WeakPolarHBondContact O-CG 3.26Å; D94-K98 PolarHBondContact O-N 2.78Å; D94-K98 VanDerWaalsContact O-N 3.11Å
95A68.2Low70.9Confident54 Ų5494.9 Ų94.945%0.44650%0.503SS..Hα-helixtrans-68.2-46174.700000111.1K92 I93 K98 S99K92-A95 WeakPolarHBondContact O-CB 3.48Å; K92-A95 PolarHBondContact O-N 3.4Å; I93-A95 VanDerWaalsContact C-N 3.3Å; I93-A95 PolarHBondContact O-N 3.49Å; A95-K98 PolarHBondContact O-N 3.37Å; A95-S99 PolarHBondContact O-N 3.04Å; A95-S99 PolarHBondContact O-OG 3.34Å
96D72.1Confident69.7Low102 Ų10291.9 Ų91.955%0.54551%0.505SS..Hα-helixtrans-64-43178.8-67.2-13.9000111.2K92 I93 K98 S99 S100K92-D96 WeakPolarHBondContact O-CB 3.38Å; K92-D96 VanDerWaalsContact O-CG 3.22Å; K92-D96 PolarHBondContact O-N 3.5Å; I93-D96 PolarHBondContact O-N 3.16Å; D96-K98 PolarHBondContact O-N 3.43Å; D96-S99 WeakPolarHBondContact CA-OG 3.49Å; D96-S99 PolarHBondContact O-N 3.4Å; D96-S99 PolarHBondContact O-OG 3.3Å; D96-S100 WeakPolarHBondContact O-CB 3.49Å; D96-S100 PolarHBondContact O-N 3.46Å
97R71.5Confident68.5Low146 Ų14689.1 Ų89.155%0.55150%0.497SS*.Hα-helixtrans-62.8-41.5175.4-82.7-175.7169.9173.40.9112.9I93 A101I93-R97 WeakPolarHBondContact O-CB 3.31Å; I93-R97 WeakPolarHBondContact O-CG 3.29Å; I93-R97 PolarHBondContact O-N 2.93Å; R97-A101 WeakPolarHBondContact O-CB 3.42Å; R97-A101 PolarHBondContact O-N 3.33Å
98K69.9Low67.2Low158 Ų15890.8 Ų90.869%0.68751%0.506SS*.Hα-helixtrans-66.4-39.1175.6-77.6176.6-179.9179.60111.8D94 A95 D96 A102D94-K98 WeakPolarHBondContact O-CB 3.47Å; D94-K98 VanDerWaalsContact O-CG 3.29Å; D94-K98 WeakPolarHBondContact O-CG 3.26Å; D94-K98 PolarHBondContact O-N 2.78Å; D94-K98 VanDerWaalsContact O-N 3.11Å; A95-K98 PolarHBondContact O-N 3.37Å; D96-K98 PolarHBondContact O-N 3.43Å; K98-A102 WeakPolarHBondContact O-CB 3.4Å; K98-A102 PolarHBondContact O-N 3.08Å; K98-A102 VanDerWaalsContact O-N 3.07Å
99S69Low65.9Low59 Ų5993 Ų9341%0.41351%0.512SS..Hα-helixtrans-65.9-44.9176.170.60000112.3A95 D96 A101 A102 E103A95-S99 PolarHBondContact O-N 3.04Å; A95-S99 PolarHBondContact O-OG 3.34Å; D96-S99 WeakPolarHBondContact CA-OG 3.49Å; D96-S99 PolarHBondContact O-N 3.4Å; D96-S99 PolarHBondContact O-OG 3.3Å; S99-A101 PolarHBondContact O-N 2.88Å; S99-A102 PolarHBondContact O-N 2.87Å; S99-E103 WeakPolarHBondContact O-CG 3.38Å; S99-E103 PolarHBondContact O-N 3.43Å
100S71.2Confident64.6Low66 Ų6697.6 Ų97.646%0.46254%0.536SS..Hα-helixtrans-65.5-37.3178.21640000113D96 S104D96-S100 WeakPolarHBondContact O-CB 3.49Å; D96-S100 PolarHBondContact O-N 3.46Å; S100-S104 WeakPolarHBondContact O-CB 3.41Å; S100-S104 PolarHBondContact O-N 2.68Å; S100-S104 PolarHBondContact O-OG 3.49Å
101A67.8Low63.9Low48 Ų48101.4 Ų101.440%0.39756%0.56SS.*Hα-helixtrans-66.7-42.8174.200000111.5R97 S99 E103 S104 E105R97-A101 WeakPolarHBondContact O-CB 3.42Å; R97-A101 PolarHBondContact O-N 3.33Å; S99-A101 PolarHBondContact O-N 2.88Å; A101-E103 PolarHBondContact O-N 3.29Å; A101-S104 PolarHBondContact O-N 3.24Å; A101-E105 WeakPolarHBondContact O-CG 3.42Å; A101-E105 PolarHBondContact O-N 3.02Å
102A66.7Low63.1Low55 Ų5595.3 Ų95.346%0.45555%0.55SS.*Hα-helixtrans-64.8-37.6177.200000112.7K98 S99 A106K98-A102 WeakPolarHBondContact O-CB 3.4Å; K98-A102 PolarHBondContact O-N 3.08Å; K98-A102 VanDerWaalsContact O-N 3.07Å; S99-A102 PolarHBondContact O-N 2.87Å; A102-A106 VanDerWaalsContact O-CB 3.3Å; A102-A106 WeakPolarHBondContact O-CB 3.4Å; A102-A106 PolarHBondContact O-N 3.42Å
103E62.1Low62.4Low134 Ų13496 Ų9663%0.62656%0.561SS**Hα-helixtrans-68.9-35.3174.4-75179.9168.500112.7S99 A101 S107S99-E103 WeakPolarHBondContact O-CG 3.38Å; S99-E103 PolarHBondContact O-N 3.43Å; A101-E103 PolarHBondContact O-N 3.29Å; E103-S107 WeakPolarHBondContact O-CB 3.31Å; E103-S107 PolarHBondContact O-N 3.21Å; E103-S107 PolarHBondContact O-OG 2.96Å
104S64.1Low61.7Low72 Ų72102.2 Ų102.250%0.50360%0.595SS.*Hα-helixtrans-69.5-40.1176.6-57.50000111.8S100 A101 S107 S108S100-S104 WeakPolarHBondContact O-CB 3.41Å; S100-S104 PolarHBondContact O-N 2.68Å; S100-S104 PolarHBondContact O-OG 3.49Å; A101-S104 PolarHBondContact O-N 3.24Å; S104-S107 PolarHBondContact O-N 2.91Å; S104-S108 WeakPolarHBondContact O-CB 3.4Å; S104-S108 PolarHBondContact O-N 2.99Å
105E60.2Low61.3Low147 Ų147106.7 Ų106.769%0.68762%0.619SS**Hα-helixtrans-68.2-40.5174.1-74.1-178.8170.400112A101 S107 S108 S109A101-E105 WeakPolarHBondContact O-CG 3.42Å; A101-E105 PolarHBondContact O-N 3.02Å; E105-S107 VanDerWaalsContact C-N 3.33Å; E105-S107 PolarHBondContact O-N 3.34Å; E105-S108 PolarHBondContact O-N 3.41Å; E105-S109 VanDerWaalsContact O-CB 3.26Å; E105-S109 WeakPolarHBondContact O-CB 3.4Å; E105-S109 PolarHBondContact O-N 3.3Å
106A59.8Low60.4Low63 Ų63110.3 Ų110.352%0.52164%0.635SS.*Hα-helixtrans-63.7-38.2174.700000112.3A102 S109 M110A102-A106 VanDerWaalsContact O-CB 3.3Å; A102-A106 WeakPolarHBondContact O-CB 3.4Å; A102-A106 PolarHBondContact O-N 3.42Å; A106-S109 PolarHBondContact O-N 3.02Å; A106-M110 PolarHBondContact O-N 3.41Å
107S59.2Low59Low82 Ų82111.1 Ų111.157%0.57365%0.646SS**Hα-helixtrans-71.8-36177-58.20000112.5E103 S104 E105 S109 M110E103-S107 WeakPolarHBondContact O-CB 3.31Å; E103-S107 PolarHBondContact O-N 3.21Å; E103-S107 PolarHBondContact O-OG 2.96Å; S104-S107 PolarHBondContact O-N 2.91Å; E105-S107 VanDerWaalsContact C-N 3.33Å; E105-S107 PolarHBondContact O-N 3.34Å; S107-S109 VanDerWaalsContact C-N 3.34Å; S107-M110 PolarHBondContact O-N 2.86Å
108S57.8Low57.9Low90 Ų90109.9 Ų109.963%0.62966%0.66SS**Hα-helixtrans-73.1-25.4175.3-167.50000113.2S104 E105 M110S104-S108 WeakPolarHBondContact O-CB 3.4Å; S104-S108 PolarHBondContact O-N 2.99Å; E105-S108 PolarHBondContact O-N 3.41Å; S108-M110 VanDerWaalsContact C-N 3.34Å
109S53.7Low56.5Low99 Ų99108.6 Ų108.669%0.69267%0.666SS**Hα-helixtrans-75.6-18.71761730000113.4E105 A106 S107E105-S109 VanDerWaalsContact O-CB 3.26Å; E105-S109 WeakPolarHBondContact O-CB 3.4Å; E105-S109 PolarHBondContact O-N 3.3Å; A106-S109 PolarHBondContact O-N 3.02Å; S107-S109 VanDerWaalsContact C-N 3.34Å
110M53.3Low55.3Low175 Ų175111.3 Ų111.386%0.86269%0.685SS**THydrogen-bonded Turntrans-90.6-6.7-179.2-99.7-159.2165.300115.3A106 S107 S108 G112A106-M110 PolarHBondContact O-N 3.41Å; S107-M110 PolarHBondContact O-N 2.86Å; S108-M110 VanDerWaalsContact C-N 3.34Å; M110-G112 VanDerWaalsContact C-N 3.27Å; M110-G112 PolarHBondContact O-N 3.25Å; M110-G112 VanDerWaalsContact O-N 3.08Å
111I54Low53.8Low150 Ų150113.6 Ų113.677%0.76970%0.7SS**SBendtrans-84.781.8170.6-69.8161.4000106.8
112G48.4Very low52.7Low58 Ų58119.1 Ų119.160%0.59872%0.723SS**  trans-73.4139.6175.600000112M110 D114M110-G112 VanDerWaalsContact C-N 3.27Å; M110-G112 PolarHBondContact O-N 3.25Å; M110-G112 VanDerWaalsContact O-N 3.08Å; G112-D114 PolarHBondContact O-N 3.44Å
113D52.6Low51.6Low172 Ų172119.5 Ų119.592%0.9273%0.733SS**  trans-23.9110.9169.4-58.8-63.9000115.2
114D50.2Low50.6Low152 Ų152122.2 Ų122.281%0.81375%0.745SS**  trans-99.9124161.5-161.418.7000108.3G112 T116G112-D114 PolarHBondContact O-N 3.44Å; D114-T116 PolarHBondContact O-N 3.26Å
115D54.9Low50.2Low159 Ų159127 Ų12785%0.8576%0.757SS**  trans-51.1113-169.5-83-53.5000113.1
116T50.2Low49.6Very low129 Ų129126.1 Ų126.179%0.79176%0.764SS**  trans-107.3126160.4540000109.3D114 S118D114-T116 PolarHBondContact O-N 3.26Å; T116-S118 PolarHBondContact O-N 3.02Å
117P42.4Very low49Very low119 Ų119133.9 Ų133.977%0.77378%0.781SS**  trans-71.1128.3-175.526.2-29.3000110.5T119P117-T119 PolarHBondContact O-N 2.98Å
118S49.4Very low48.4Very low120 Ų120140.5 Ų140.584%0.83979%0.794SS**  trans-62.6116.8175.9-153.80000110.8T116T116-S118 PolarHBondContact O-N 3.02Å
119T39.8Very low48Very low132 Ų132145.4 Ų145.481%0.8181%0.807SS**  trans-111.3111162.766.40000109.1P117P117-T119 PolarHBondContact O-N 2.98Å
120S42.6Very low47.7Very low115 Ų115146.2 Ų146.280%0.80481%0.807SS**  trans-60.2136.8172.2-47.50000111.6
121S40.4Very low47.3Very low114 Ų114143.2 Ų143.280%0.79780%0.804SS**  trans-166.893.4156.1172.10000110.9
122D43.9Very low46.5Very low164 Ų164149 Ų14988%0.87783%0.831SS**  trans40.5116.5134.2-117.1-13.5000121.6
123G44.8Very low46.4Very low63 Ų63153.5 Ų153.565%0.64984%0.842SS**  79.488.5122.100000120.3
124H40.9Very low46Very low191 Ų191152.5 Ų152.588%0.88484%0.838SS**  trans-157.2119.6133.8-124.648.5000113
125K55.9Low45.8Very low173 Ų173152.6 Ų152.675%0.75284%0.84SS**PPolyproline II helixtrans-79.7148.7173.2-70.2179.9177.8178.50110.3
126P46.8Very low45.3Very low129 Ų129152.2 Ų152.284%0.83884%0.839SS**PPolyproline II helixtrans-82.5124.7175.432-30.7000110.6
127Y47.3Very low45Very low225 Ų225153.6 Ų153.688%0.88284%0.842SS**PPolyproline II helixtrans-86.9116.1165.9-74.3-86000109.5
128R46.2Very low45.1Very low221 Ų221155.9 Ų155.983%0.83485%0.847SS**  trans-115.5112.3165.9178.3-171.5-174.5176.92.9106.5
129E49.6Very low44.8Very low194 Ų194158.5 Ų158.591%0.90785%0.847SS**  trans-137.6133.5156-75.8-166.6157.900110.5
130T47.8Very low45.2Very low115 Ų115160.5 Ų160.571%0.70685%0.85SS**  trans-86.5157.5173.8400000111
131S44.8Very low45.4Very low113 Ų113164.3 Ų164.379%0.7985%0.854SS**  trans99.6108.3156.3-55.90000117.5
132M36.6Very low45.9Very low270 Ų270168.9 Ų168.9100%1.3386%0.859SS**  -132.80108.9-80.1-167.2178.400109

Retrieved 132 of 132 residues in 66.7 ms (Link to these results)

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