A0A059R8S9_HUMAN Loading...

NADH-ubiquinone oxidoreductase chain 3

Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) which catalyzes electron transfer from NADH through the respiratory chain, using ubiquinone as an electron acceptor. Essential for the catalytic activity of complex I.

AlphaFold DB , UniProt , Accession A0A059R8S9, Species HUMAN (Homo sapiens, Human), Gene ND3, Length 111 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
1M76.9Confident95.1Very high189 Ų189106.7 Ų106.793%0.93156%0.562SS**  0-48.80-152147.778.600112F3 A4 L5M1-F3 PolarHBondContact O-N 3.3Å; M1-A4 PolarHBondContact O-N 3.39Å; M1-L5 HydrophobicContact CG-CD1 4.28Å; M1-L5 WeakPolarHBondContact O-CG 3.26Å; M1-L5 PolarHBondContact O-N 3.45Å
2N94.4Very high95.3Very high124 Ų124105.6 Ų105.666%0.66356%0.555SS**Hα-helixtrans-58.3-42.3-178.6-59.73.8000114.5L5 I6N2-L5 WeakPolarHBondContact O-CB 3.37Å; N2-L5 PolarHBondContact O-N 2.69Å; N2-I6 WeakPolarHBondContact O-CG1 3.35Å; N2-I6 PolarHBondContact O-N 2.94Å
3F95.4Very high95.5Very high152 Ų152105.2 Ų105.267%0.66755%0.553SS**Hα-helixtrans-63.3-44.2176.7-178.2-108.9000112.6M1 L5 I6 L7M1-F3 PolarHBondContact O-N 3.3Å; F3-L5 VanDerWaalsContact C-N 3.3Å; F3-L5 PolarHBondContact O-N 3.2Å; F3-I6 PolarHBondContact O-N 3.2Å; F3-L7 HydrophobicContact CD1-CD1 3.91Å; F3-L7 HydrophobicContact CE1-CD1 3.38Å; F3-L7 HydrophobicContact CE1-CG 4.14Å; F3-L7 HydrophobicContact CE2-CG 4.48Å; F3-L7 HydrophobicContact CZ-CD1 3.74Å; F3-L7 HydrophobicContact CZ-CD2 4.35Å; F3-L7 HydrophobicContact CZ-CG 4.11Å; F3-L7 PolarHBondContact O-N 3.4Å
4A96.1Very high95.7Very high59 Ų59102.1 Ų102.149%0.48855%0.55SS..Hα-helixtrans-63-37.7175.700000111.9M1 L7 M8M1-A4 PolarHBondContact O-N 3.39Å; A4-L7 PolarHBondContact O-N 3.15Å; A4-M8 WeakPolarHBondContact O-CB 3.1Å; A4-M8 PolarHBondContact O-N 3.37Å
5L96.8Very high95.8Very high84 Ų84101.1 Ų101.144%0.4454%0.544SS..Hα-helixtrans-63.4-43.4174-72168.4000111.9M1 N2 F3 M8 I9M1-L5 HydrophobicContact CG-CD1 4.28Å; M1-L5 WeakPolarHBondContact O-CG 3.26Å; M1-L5 PolarHBondContact O-N 3.45Å; N2-L5 WeakPolarHBondContact O-CB 3.37Å; N2-L5 PolarHBondContact O-N 2.69Å; F3-L5 VanDerWaalsContact C-N 3.3Å; F3-L5 PolarHBondContact O-N 3.2Å; L5-M8 PolarHBondContact O-N 2.97Å; L5-I9 WeakPolarHBondContact O-CD1 3.47Å; L5-I9 VanDerWaalsContact O-CG1 3.25Å; L5-I9 WeakPolarHBondContact O-CG1 2.99Å; L5-I9 PolarHBondContact O-N 3.47Å
6I97.5Very high96Very high94 Ų94100.7 Ų100.748%0.48254%0.541SS..Hα-helixtrans-61.5-47.2176.7-68163.5000110.7N2 F3 M8 I9 N10N2-I6 WeakPolarHBondContact O-CG1 3.35Å; N2-I6 PolarHBondContact O-N 2.94Å; F3-I6 PolarHBondContact O-N 3.2Å; I6-M8 VanDerWaalsContact C-N 3.31Å; I6-M8 PolarHBondContact O-N 3Å; I6-I9 PolarHBondContact O-N 3.3Å; I6-N10 VanDerWaalsContact O-CG 3.31Å; I6-N10 PolarHBondContact O-N 3.34Å; I6-N10 PolarHBondContact O-ND2 2.89Å
7L97.5Very high96.1Very high85 Ų85100.4 Ų100.445%0.44554%0.538SS..Hα-helixtrans-59.6-43.4176.6-72.8176.2000111.6F3 A4 N10 T11F3-L7 HydrophobicContact CD1-CD1 3.91Å; F3-L7 HydrophobicContact CE1-CD1 3.38Å; F3-L7 HydrophobicContact CE1-CG 4.14Å; F3-L7 HydrophobicContact CE2-CG 4.48Å; F3-L7 HydrophobicContact CZ-CD1 3.74Å; F3-L7 HydrophobicContact CZ-CD2 4.35Å; F3-L7 HydrophobicContact CZ-CG 4.11Å; F3-L7 PolarHBondContact O-N 3.4Å; A4-L7 PolarHBondContact O-N 3.15Å; L7-N10 PolarHBondContact O-N 2.94Å; L7-T11 WeakPolarHBondContact O-CG2 3.42Å; L7-T11 PolarHBondContact O-N 3.43Å; L7-T11 PolarHBondContact O-OG1 3.44Å
8M97.6Very high96.1Very high110 Ų110100.5 Ų100.554%0.54254%0.536SS..Hα-helixtrans-63.6-42.7178.3-173.5-178.3-177.100112.2A4 L5 I6 T11 L12A4-M8 WeakPolarHBondContact O-CB 3.1Å; A4-M8 PolarHBondContact O-N 3.37Å; L5-M8 PolarHBondContact O-N 2.97Å; I6-M8 VanDerWaalsContact C-N 3.31Å; I6-M8 PolarHBondContact O-N 3Å; M8-T11 PolarHBondContact O-OG1 2.9Å; M8-L12 HydrophobicContact CE-CD1 4.08Å; M8-L12 HydrophobicContact CG-CD1 3.92Å; M8-L12 HydrophobicContact CG-CG 4.47Å; M8-L12 VanDerWaalsContact O-CB 3.3Å; M8-L12 WeakPolarHBondContact O-CB 3.33Å; M8-L12 VanDerWaalsContact O-CG 3.23Å; M8-L12 WeakPolarHBondContact O-CG 3.23Å; M8-L12 PolarHBondContact O-N 2.98Å
9I97.8Very high96.1Very high107 Ų10799.8 Ų99.855%0.54953%0.532SS..Hα-helixtrans-63.9-43.7177.9-68.8163.3000110.3L5 I6 L12 L13L5-I9 WeakPolarHBondContact O-CD1 3.47Å; L5-I9 VanDerWaalsContact O-CG1 3.25Å; L5-I9 WeakPolarHBondContact O-CG1 2.99Å; L5-I9 PolarHBondContact O-N 3.47Å; I6-I9 PolarHBondContact O-N 3.3Å; I9-L12 PolarHBondContact O-N 3.43Å; I9-L13 WeakPolarHBondContact O-CB 3.06Å; I9-L13 PolarHBondContact O-N 3.04Å
10N97.9Very high96.2Very high91 Ų9198.8 Ų98.849%0.48753%0.525SS..Hα-helixtrans-64.1-43.7180-71.5-18.2000112.4I6 L7 L13 A14I6-N10 VanDerWaalsContact O-CG 3.31Å; I6-N10 PolarHBondContact O-N 3.34Å; I6-N10 PolarHBondContact O-ND2 2.89Å; L7-N10 PolarHBondContact O-N 2.94Å; N10-L13 PolarHBondContact O-N 3.14Å; N10-A14 PolarHBondContact O-N 2.96Å
11T97.8Very high96.1Very high79 Ų7998.7 Ų98.749%0.48553%0.529SS..Hα-helixtrans-68.3-40.2178.3550000111.7L7 M8 A14 L15L7-T11 WeakPolarHBondContact O-CG2 3.42Å; L7-T11 PolarHBondContact O-N 3.43Å; L7-T11 PolarHBondContact O-OG1 3.44Å; M8-T11 PolarHBondContact O-OG1 2.9Å; T11-A14 PolarHBondContact O-N 3.23Å; T11-L15 WeakPolarHBondContact O-CB 3.5Å; T11-L15 WeakPolarHBondContact O-CG 3.44Å; T11-L15 PolarHBondContact O-N 2.91Å
12L98.1Very high96.9Very high93 Ų9395.7 Ų95.749%0.48751%0.511SS..Hα-helixtrans-63.3-41.1174.8-76.1171.4000112.2M8 I9 L15 L16M8-L12 HydrophobicContact CE-CD1 4.08Å; M8-L12 HydrophobicContact CG-CD1 3.92Å; M8-L12 HydrophobicContact CG-CG 4.47Å; M8-L12 VanDerWaalsContact O-CB 3.3Å; M8-L12 WeakPolarHBondContact O-CB 3.33Å; M8-L12 VanDerWaalsContact O-CG 3.23Å; M8-L12 WeakPolarHBondContact O-CG 3.23Å; M8-L12 PolarHBondContact O-N 2.98Å; I9-L12 PolarHBondContact O-N 3.43Å; L12-L15 PolarHBondContact O-N 3.32Å; L12-L16 VanDerWaalsContact O-CB 3.26Å; L12-L16 WeakPolarHBondContact O-CB 3.47Å; L12-L16 PolarHBondContact O-N 3.49Å
13L98Very high96.8Very high101 Ų10199.3 Ų99.353%0.52952%0.515SS..Hα-helixtrans-62.1-45.9176.2-171.876.5000111.2I9 N10 L15 L16 L17I9-L13 WeakPolarHBondContact O-CB 3.06Å; I9-L13 PolarHBondContact O-N 3.04Å; N10-L13 PolarHBondContact O-N 3.14Å; L13-L15 PolarHBondContact O-N 2.85Å; L13-L16 PolarHBondContact O-N 3.39Å; L13-L17 HydrophobicContact CG-CD1 4.48Å; L13-L17 WeakPolarHBondContact O-CG 3.3Å; L13-L17 PolarHBondContact O-N 3.37Å
14A98.1Very high96.7Very high61 Ų6198.8 Ų98.850%0.50452%0.519SS..Hα-helixtrans-61.8-43177.300000112.1N10 T11 L17 M18N10-A14 PolarHBondContact O-N 2.96Å; T11-A14 PolarHBondContact O-N 3.23Å; A14-L17 PolarHBondContact O-N 2.97Å; A14-M18 WeakPolarHBondContact O-CB 3.34Å; A14-M18 PolarHBondContact O-N 2.96Å
15L97.8Very high96.4Very high87 Ų8799.1 Ų99.146%0.45552%0.516SS..Hα-helixtrans-64.4-42.6175.7-75168.8000112T11 L12 L13 M18 I19T11-L15 WeakPolarHBondContact O-CB 3.5Å; T11-L15 WeakPolarHBondContact O-CG 3.44Å; T11-L15 PolarHBondContact O-N 2.91Å; L12-L15 PolarHBondContact O-N 3.32Å; L13-L15 PolarHBondContact O-N 2.85Å; L15-M18 HydrophobicContact CD2-CE 3.95Å; L15-M18 PolarHBondContact O-N 3.25Å; L15-I19 VanDerWaalsContact O-CG1 3.26Å; L15-I19 WeakPolarHBondContact O-CG1 3.31Å; L15-I19 PolarHBondContact O-N 3.48Å
16L97.9Very high95.8Very high95 Ų95103.5 Ų103.550%0.49753%0.534SS..Hα-helixtrans-62.6-44.4178.3-179.7141.2000111.3L12 L13 I19 I20L12-L16 VanDerWaalsContact O-CB 3.26Å; L12-L16 WeakPolarHBondContact O-CB 3.47Å; L12-L16 PolarHBondContact O-N 3.49Å; L13-L16 PolarHBondContact O-N 3.39Å; L16-I19 PolarHBondContact O-N 3.28Å; L16-I20 HydrophobicContact CD2-CD1 3.53Å; L16-I20 HydrophobicContact CG-CD1 4.24Å; L16-I20 VanDerWaalsContact O-CG1 3.31Å; L16-I20 WeakPolarHBondContact O-CG1 3.37Å; L16-I20 PolarHBondContact O-N 2.99Å
17L97.6Very high95.1Very high96 Ų96105 Ų10550%0.50354%0.542SS..Hα-helixtrans-62-43.1174.5-70.7173.4000111.5L13 A14 I19 I20 T21L13-L17 HydrophobicContact CG-CD1 4.48Å; L13-L17 WeakPolarHBondContact O-CG 3.3Å; L13-L17 PolarHBondContact O-N 3.37Å; A14-L17 PolarHBondContact O-N 2.97Å; L17-I19 PolarHBondContact O-N 2.92Å; L17-I20 PolarHBondContact O-N 2.77Å; L17-T21 WeakPolarHBondContact O-CG2 3.26Å; L17-T21 PolarHBondContact O-N 3.26Å; L17-T21 PolarHBondContact O-OG1 2.95Å
18M96.9Very high94.4Very high102 Ų102105.6 Ų105.650%0.50255%0.546SS..Hα-helixtrans-60-44.9176.2-176.9-94-76.200111.8A14 L15 I20 T21 F22A14-M18 WeakPolarHBondContact O-CB 3.34Å; A14-M18 PolarHBondContact O-N 2.96Å; L15-M18 HydrophobicContact CD2-CE 3.95Å; L15-M18 PolarHBondContact O-N 3.25Å; M18-I20 PolarHBondContact O-N 2.99Å; M18-T21 WeakPolarHBondContact CA-OG1 3.45Å; M18-T21 PolarHBondContact O-N 2.99Å; M18-T21 PolarHBondContact O-OG1 3.28Å; M18-F22 PolarHBondContact O-N 3.36Å
19I96.4Very high93.8Very high88 Ų88104.3 Ų104.345%0.45156%0.561SS.*Hα-helixtrans-60.2-47.6175.6-67.9162.8000110.4L15 L16 L17 T21 F22 W23L15-I19 VanDerWaalsContact O-CG1 3.26Å; L15-I19 WeakPolarHBondContact O-CG1 3.31Å; L15-I19 PolarHBondContact O-N 3.48Å; L16-I19 PolarHBondContact O-N 3.28Å; L17-I19 PolarHBondContact O-N 2.92Å; I19-T21 VanDerWaalsContact C-N 3.32Å; I19-T21 PolarHBondContact O-N 3.49Å; I19-F22 PolarHBondContact O-N 3.25Å; I19-W23 HydrophobicContact CG2-CG 4.45Å; I19-W23 WeakPolarHBondContact O-CB 3.39Å; I19-W23 PolarHBondContact O-N 3.32Å
20I96.6Very high93.2Very high78 Ų78105 Ų10540%0.456%0.558SS.*Hα-helixtrans-58.6-46.5177.9-67.1167.8000110.4L16 L17 M18 F22 W23 L24L16-I20 HydrophobicContact CD2-CD1 3.53Å; L16-I20 HydrophobicContact CG-CD1 4.24Å; L16-I20 VanDerWaalsContact O-CG1 3.31Å; L16-I20 WeakPolarHBondContact O-CG1 3.37Å; L16-I20 PolarHBondContact O-N 2.99Å; L17-I20 PolarHBondContact O-N 2.77Å; M18-I20 PolarHBondContact O-N 2.99Å; I20-F22 VanDerWaalsContact C-N 3.28Å; I20-F22 PolarHBondContact O-N 3.33Å; I20-W23 PolarHBondContact O-N 2.96Å; I20-L24 HydrophobicContact CG2-CB 4.25Å; I20-L24 HydrophobicContact CG2-CD1 3.87Å; I20-L24 WeakPolarHBondContact O-CB 3.2Å; I20-L24 PolarHBondContact O-N 3.21Å
21T95.4Very high92.6Very high97 Ų97107.9 Ų107.960%0.59557%0.57SS**Hα-helixtrans-65.3-28.7-179.457.80000113.9L17 M18 I19 P25L17-T21 WeakPolarHBondContact O-CG2 3.26Å; L17-T21 PolarHBondContact O-N 3.26Å; L17-T21 PolarHBondContact O-OG1 2.95Å; M18-T21 WeakPolarHBondContact CA-OG1 3.45Å; M18-T21 PolarHBondContact O-N 2.99Å; M18-T21 PolarHBondContact O-OG1 3.28Å; I19-T21 VanDerWaalsContact C-N 3.32Å; I19-T21 PolarHBondContact O-N 3.49Å; T21-P25 WeakPolarHBondContact O-CD 3.29Å; T21-P25 WeakPolarHBondContact O-CG 3.45Å
22F92.6Very high91.8Very high126 Ų126111.8 Ų111.855%0.55358%0.583SS**Hα-helixtrans-83.9-35.5179.5-166.7-95.5000112.6M18 I19 I20M18-F22 PolarHBondContact O-N 3.36Å; I19-F22 PolarHBondContact O-N 3.25Å; I20-F22 VanDerWaalsContact C-N 3.28Å; I20-F22 PolarHBondContact O-N 3.33Å
23W92.4Very high91.2Very high200 Ų200113.1 Ų113.176%0.75859%0.585SS**Hα-helixtrans-100.2-23.1-170.8-69.585.1000114.8I19 I20I19-W23 HydrophobicContact CG2-CG 4.45Å; I19-W23 WeakPolarHBondContact O-CB 3.39Å; I19-W23 PolarHBondContact O-N 3.32Å; I20-W23 PolarHBondContact O-N 2.96Å
24L92.9Very high90.7Very high141 Ų141112.6 Ų112.674%0.73859%0.589SS**SBendtrans-77.1-38.2-179-163.8146.3000113.7I20I20-L24 HydrophobicContact CG2-CB 4.25Å; I20-L24 HydrophobicContact CG2-CD1 3.87Å; I20-L24 WeakPolarHBondContact O-CB 3.2Å; I20-L24 PolarHBondContact O-N 3.21Å
25P91.3Very high90.3Very high67 Ų67113.2 Ų113.244%0.43559%0.587SS.*SBendtrans-73.8147177.9-17.732.9000113.1T21 L27T21-P25 WeakPolarHBondContact O-CD 3.29Å; T21-P25 WeakPolarHBondContact O-CG 3.45Å; P25-L27 PolarHBondContact O-N 2.9Å
26Q83.9Confident89.8Confident175 Ų175113.2 Ų113.282%0.81859%0.592SS**  trans-77.5111.3171.6-168.2170.1-3.700110.4N28Q26-N28 PolarHBondContact O-N 3.29Å
27L82.3Confident89.3Confident125 Ų125118 Ų11865%0.65461%0.605SS**  trans-87.3100.3-177.4-63.8170000111P25P25-L27 PolarHBondContact O-N 2.9Å
28N83.6Confident88.9Confident98 Ų98117.1 Ų117.152%0.52460%0.598SS.*  trans-95.697.5166.9-73-4.7000109.4Q26 K33Q26-N28 PolarHBondContact O-N 3.29Å; N28-K33 WeakPolarHBondContact O-CD 3.07Å; N28-K33 PolarHBondContact O-NZ 3.42Å
29G83.5Confident88.4Confident83 Ų83116.9 Ų116.986%0.85661%0.606SS**  trans-87.7110.1178.400000112
30Y87Confident87.9Confident122 Ų122115.7 Ų115.748%0.47862%0.615SS.*  trans-122.1156.2168.448-102.3000109.5E32 K33 S34Y30-E32 VanDerWaalsContact C-N 3.31Å; Y30-E32 HydrophobicContact CD2-CB 4Å; Y30-E32 HydrophobicContact CE2-CB 4.17Å; Y30-E32 PolarHBondContact O-N 2.93Å; Y30-K33 HydrophobicContact CD1-CD 3.95Å; Y30-K33 HydrophobicContact CD2-CB 3.7Å; Y30-K33 HydrophobicContact CD2-CD 4.22Å; Y30-K33 HydrophobicContact CD2-CG 3.98Å; Y30-K33 HydrophobicContact CE1-CD 3.4Å; Y30-K33 VanDerWaalsContact CE1-CD 3.4Å; Y30-K33 HydrophobicContact CE1-CG 4.09Å; Y30-K33 HydrophobicContact CE2-CB 3.6Å; Y30-K33 HydrophobicContact CE2-CD 3.69Å; Y30-K33 HydrophobicContact CE2-CG 3.36Å; Y30-K33 HydrophobicContact CG-CB 4.26Å; Y30-K33 HydrophobicContact CG-CD 4.34Å; Y30-K33 VanDerWaalsContact CZ-CG 3.42Å; Y30-K33 WeakPolarHBondContact O-CB 3.4Å; Y30-K33 PolarHBondContact O-N 3.46Å; Y30-K33 WeakPolarHBondContact OH-CD 3.48Å; Y30-K33 WeakPolarHBondContact OH-CE 3.5Å; Y30-K33 PolarHBondContact OH-NZ 3.42Å; Y30-S34 PolarHBondContact O-N 3.01Å
31M83.6Confident87.5Confident152 Ų152119.5 Ų119.575%0.74963%0.629SS**Hα-helixtrans-52.2-45.6-171.2-73.8-63.1-68.200112.9K33 S34 T35M31-K33 PolarHBondContact O-N 3.32Å; M31-S34 WeakPolarHBondContact O-CA 3.25Å; M31-S34 PolarHBondContact O-N 3.03Å; M31-S34 PolarHBondContact O-OG 3.38Å; M31-T35 PolarHBondContact O-N 3.23Å; M31-T35 VanDerWaalsContact O-N 3.15Å
32E82.8Confident87.1Confident160 Ų160121.3 Ų121.375%0.74864%0.635SS**Hα-helixtrans-64.7-23.2179.8-58.8178.8179.300114.3Y30 S34 T35Y30-E32 VanDerWaalsContact C-N 3.31Å; Y30-E32 HydrophobicContact CD2-CB 4Å; Y30-E32 HydrophobicContact CE2-CB 4.17Å; Y30-E32 PolarHBondContact O-N 2.93Å; E32-S34 VanDerWaalsContact C-N 3.32Å; E32-T35 WeakPolarHBondContact CA-OG1 3.38Å; E32-T35 PolarHBondContact O-OG1 3.44Å
33K85.5Confident86.8Confident122 Ų122118.3 Ų118.353%0.5363%0.628SS.*Hα-helixtrans-78.8-21.2173.6-109.1177.1-175.6156.50112.5N28 Y30 M31N28-K33 WeakPolarHBondContact O-CD 3.07Å; N28-K33 PolarHBondContact O-NZ 3.42Å; Y30-K33 HydrophobicContact CD1-CD 3.95Å; Y30-K33 HydrophobicContact CD2-CB 3.7Å; Y30-K33 HydrophobicContact CD2-CD 4.22Å; Y30-K33 HydrophobicContact CD2-CG 3.98Å; Y30-K33 HydrophobicContact CE1-CD 3.4Å; Y30-K33 VanDerWaalsContact CE1-CD 3.4Å; Y30-K33 HydrophobicContact CE1-CG 4.09Å; Y30-K33 HydrophobicContact CE2-CB 3.6Å; Y30-K33 HydrophobicContact CE2-CD 3.69Å; Y30-K33 HydrophobicContact CE2-CG 3.36Å; Y30-K33 HydrophobicContact CG-CB 4.26Å; Y30-K33 HydrophobicContact CG-CD 4.34Å; Y30-K33 VanDerWaalsContact CZ-CG 3.42Å; Y30-K33 WeakPolarHBondContact O-CB 3.4Å; Y30-K33 PolarHBondContact O-N 3.46Å; Y30-K33 WeakPolarHBondContact OH-CD 3.48Å; Y30-K33 WeakPolarHBondContact OH-CE 3.5Å; Y30-K33 PolarHBondContact OH-NZ 3.42Å; M31-K33 PolarHBondContact O-N 3.32Å
34S87.7Confident86.4Confident89 Ų89117 Ų11762%0.62263%0.632SS**Hα-helixtrans-97.4-9.6-179.164.10000113.5Y30 M31 E32Y30-S34 PolarHBondContact O-N 3.01Å; M31-S34 WeakPolarHBondContact O-CA 3.25Å; M31-S34 PolarHBondContact O-N 3.03Å; M31-S34 PolarHBondContact O-OG 3.38Å; E32-S34 VanDerWaalsContact C-N 3.32Å
35T87.9Confident85.9Confident74 Ų74113.4 Ų113.445%0.45462%0.619SS.*SBendtrans-79.2149.7173.946.50000111.4M31 E32M31-T35 PolarHBondContact O-N 3.23Å; M31-T35 VanDerWaalsContact O-N 3.15Å; E32-T35 WeakPolarHBondContact CA-OG1 3.38Å; E32-T35 PolarHBondContact O-OG1 3.44Å
36P89Confident85.6Confident88 Ų88115 Ų11557%0.57163%0.63SS**  trans-62.9142.5177.528.5-35.6000111.1P43P36-P43 HydrophobicContact CG-CB 4.48Å; P36-P43 HydrophobicContact CG-CG 3.87Å
37Y87.1Confident85.5Confident194 Ų194111.8 Ų111.876%0.76163%0.633SS**  trans-90.4113178.3179.3-96.7000110.8
38E88.8Confident85.6Confident78 Ų78117.1 Ų117.136%0.36464%0.644SS.*BIsolated β-bridgetrans-117.368.2171.5-165.5166.714800109.9G40 F41 P43E38-G40 PolarHBondContact O-N 3.02Å; E38-G40 VanDerWaalsContact O-N 3.14Å; E38-F41 PolarHBondContact O-N 3.06Å; E38-P43 WeakPolarHBondContact OE2-CA 3.36Å; E38-P43 VanDerWaalsContact OE2-CB 3.29Å; E38-P43 WeakPolarHBondContact OE2-CB 3.34Å
39C86.9Confident85.5Confident98 Ų98116.9 Ų116.966%0.66265%0.646SS**THydrogen-bonded Turntrans56.531.5178.2-61.80000114.6F41C39-F41 WeakPolarHBondContact O-CD2 3.49Å
40G86.1Confident85.5Confident62 Ų62119.2 Ų119.264%0.63965%0.646SS**THydrogen-bonded Turntrans87.66.9-178.400000115E38E38-G40 PolarHBondContact O-N 3.02Å; E38-G40 VanDerWaalsContact O-N 3.14Å
41F86.3Confident85.1Confident158 Ų158120.3 Ų120.369%0.69365%0.653SS**BIsolated β-bridgetrans-114.6160.7175.4-62.2-84.1000111.7E38 C39E38-F41 PolarHBondContact O-N 3.06Å; C39-F41 WeakPolarHBondContact O-CD2 3.49Å
42D88.2Confident85.3Confident136 Ų136115.5 Ų115.573%0.72764%0.635SS**  trans-67.9143.5169.7-72.2-35.6000110.3M44D42-M44 PolarHBondContact O-N 3.14Å
43P86.8Confident85.4Confident62 Ų62114.2 Ų114.240%0.40363%0.631SS.*  trans-66.4126-173.927.2-36000112.2P36 E38 S45P36-P43 HydrophobicContact CG-CB 4.48Å; P36-P43 HydrophobicContact CG-CG 3.87Å; E38-P43 WeakPolarHBondContact OE2-CA 3.36Å; E38-P43 VanDerWaalsContact OE2-CB 3.29Å; E38-P43 WeakPolarHBondContact OE2-CB 3.34Å; P43-S45 VanDerWaalsContact C-N 3.34Å
44M83.3Confident85.5Confident173 Ų173115.5 Ų115.585%0.85264%0.636SS**SBendtrans-77.2-22.9-177.5-69.7-65.9-139.600112.8D42D42-M44 PolarHBondContact O-N 3.14Å
45S83.4Confident85.4Confident66 Ų66117.4 Ų117.446%0.46263%0.634SS.*SBendtrans-148.7157.4-179.169.10000110.4P43P43-S45 VanDerWaalsContact C-N 3.34Å
46P84.2Confident85.4Confident101 Ų101119 Ų11966%0.65663%0.634SS**  trans-62.6142.3173.427.3-35000110.6R48P46-R48 PolarHBondContact O-N 3.18Å
47A82.6Confident85.4Confident107 Ų107118.5 Ų118.588%0.88463%0.626SS**SBendtrans-59.4-17.4178.200000114.3V49A47-V49 PolarHBondContact O-N 3.28Å
48R82.8Confident85.6Confident237 Ų237112.2 Ų112.289%0.89461%0.608SS**  trans-91.185.1174.6-64.4-172.3-175.2-167.71.9109.8P46P46-R48 PolarHBondContact O-N 3.18Å
49V81.6Confident85.8Confident93 Ų93111.1 Ų111.156%0.56461%0.613SS**PPolyproline II helixtrans-91.1154.9172.9-68.90000111.1A47 F51A47-V49 PolarHBondContact O-N 3.28Å; V49-F51 PolarHBondContact O-N 2.96Å
50P83.1Confident86.1Confident131 Ų131109.9 Ų109.985%0.85160%0.599SS**PPolyproline II helixtrans-55.2124.4171.623-33.3000109.9
51F79.8Confident86.4Confident145 Ų145108.1 Ų108.164%0.63658%0.576SS**PPolyproline II helixtrans-81.6151.1-176.3-170.9-116.3000111V49 M53 F55V49-F51 PolarHBondContact O-N 2.96Å; F51-M53 PolarHBondContact O-N 3.13Å; F51-F55 HydrophobicContact CD1-CB 4.19Å; F51-F55 HydrophobicContact CE1-CB 3.15Å; F51-F55 HydrophobicContact CE1-CD2 4.03Å; F51-F55 HydrophobicContact CE1-CG 4.01Å; F51-F55 HydrophobicContact CE2-CB 4.3Å; F51-F55 AromaticContact CE2-CD2 3.7Å; F51-F55 HydrophobicContact CE2-CD2 3.7Å; F51-F55 HydrophobicContact CE2-CE2 4.46Å; F51-F55 HydrophobicContact CE2-CG 4.31Å; F51-F55 HydrophobicContact CZ-CB 3.21Å; F51-F55 AromaticContact CZ-CD2 3.43Å; F51-F55 HydrophobicContact CZ-CD2 3.43Å; F51-F55 VanDerWaalsContact CZ-CD2 3.43Å; F51-F55 HydrophobicContact CZ-CE2 4.5Å; F51-F55 AromaticContact CZ-CG 3.58Å; F51-F55 HydrophobicContact CZ-CG 3.58Å
52S87.2Confident86.7Confident51 Ų51107.2 Ų107.236%0.35757%0.572SS.*PPolyproline II helixtrans-70.4134.3-179.493.40000110.8K54 F55S52-K54 PolarHBondContact O-N 3.17Å; S52-F55 PolarHBondContact O-N 3.49Å; S52-F55 WeakPolarHBondContact OG-CD2 3.46Å; S52-F55 WeakPolarHBondContact OG-CE2 3.5Å
53M85.3Confident87.1Confident134 Ų134105.7 Ų105.766%0.6656%0.563SS**Hα-helixtrans-64.3-21179.2-67.9-61.8-72.900113F51 F56 L57F51-M53 PolarHBondContact O-N 3.13Å; M53-F56 HydrophobicContact CE-CD1 4.18Å; M53-F56 WeakPolarHBondContact O-CB 2.95Å; M53-F56 PolarHBondContact O-N 3.27Å; M53-L57 PolarHBondContact O-N 3.19Å
54K86.9Confident87.4Confident149 Ų149107.2 Ų107.265%0.64857%0.567SS**Hα-helixtrans-63.3-47.1178.5-64.7-171.1176.5-168.70111.7S52 F56 L57 V58S52-K54 PolarHBondContact O-N 3.17Å; K54-F56 PolarHBondContact O-N 3.17Å; K54-L57 PolarHBondContact O-N 3.19Å; K54-V58 WeakPolarHBondContact O-CG2 3.44Å; K54-V58 PolarHBondContact O-N 3.3Å; K54-V58 VanDerWaalsContact O-N 3.14Å
55F85.3Confident88Confident129 Ų129101 Ų10157%0.56654%0.535SS*.Hα-helixtrans-66.7-28.9177.4-66.7-54.3000112.6F51 S52 A59F51-F55 HydrophobicContact CD1-CB 4.19Å; F51-F55 HydrophobicContact CE1-CB 3.15Å; F51-F55 HydrophobicContact CE1-CD2 4.03Å; F51-F55 HydrophobicContact CE1-CG 4.01Å; F51-F55 HydrophobicContact CE2-CB 4.3Å; F51-F55 AromaticContact CE2-CD2 3.7Å; F51-F55 HydrophobicContact CE2-CD2 3.7Å; F51-F55 HydrophobicContact CE2-CE2 4.46Å; F51-F55 HydrophobicContact CE2-CG 4.31Å; F51-F55 HydrophobicContact CZ-CB 3.21Å; F51-F55 AromaticContact CZ-CD2 3.43Å; F51-F55 HydrophobicContact CZ-CD2 3.43Å; F51-F55 VanDerWaalsContact CZ-CD2 3.43Å; F51-F55 HydrophobicContact CZ-CE2 4.5Å; F51-F55 AromaticContact CZ-CG 3.58Å; F51-F55 HydrophobicContact CZ-CG 3.58Å; S52-F55 PolarHBondContact O-N 3.49Å; S52-F55 WeakPolarHBondContact OG-CD2 3.46Å; S52-F55 WeakPolarHBondContact OG-CE2 3.5Å; F55-A59 PolarHBondContact O-N 3.34Å
56F88.6Confident88.6Confident106 Ų106102 Ų10247%0.46554%0.535SS..Hα-helixtrans-67.7-42173.5177.1-104.2000112.1M53 K54 V58 A59 I60M53-F56 HydrophobicContact CE-CD1 4.18Å; M53-F56 WeakPolarHBondContact O-CB 2.95Å; M53-F56 PolarHBondContact O-N 3.27Å; K54-F56 PolarHBondContact O-N 3.17Å; F56-V58 VanDerWaalsContact C-N 3.34Å; F56-V58 PolarHBondContact O-N 3.03Å; F56-A59 WeakPolarHBondContact O-CB 3.46Å; F56-A59 PolarHBondContact O-N 3.49Å; F56-I60 HydrophobicContact CD1-CD1 3.96Å; F56-I60 HydrophobicContact CE1-CD1 3.32Å; F56-I60 HydrophobicContact CE1-CG1 4.32Å; F56-I60 HydrophobicContact CE2-CD1 4.32Å; F56-I60 HydrophobicContact CZ-CD1 3.54Å; F56-I60 HydrophobicContact CZ-CG1 4.24Å; F56-I60 PolarHBondContact O-N 3.17Å; F56-I60 VanDerWaalsContact O-N 3.17Å
57L89.9Confident89.2Confident78 Ų78102.2 Ų102.241%0.40853%0.53SS..Hα-helixtrans-60.4-44.4175-72.8168.2000111.4M53 K54 A59 I60 T61M53-L57 PolarHBondContact O-N 3.19Å; K54-L57 PolarHBondContact O-N 3.19Å; L57-A59 VanDerWaalsContact C-N 3.27Å; L57-A59 PolarHBondContact O-N 3.2Å; L57-I60 PolarHBondContact O-N 2.91Å; L57-I60 VanDerWaalsContact O-N 3.13Å; L57-T61 WeakPolarHBondContact O-CG2 3.39Å; L57-T61 PolarHBondContact O-N 3.35Å; L57-T61 PolarHBondContact O-OG1 3.13Å
58V91.4Very high89.8Confident62 Ų6299.1 Ų99.138%0.37650%0.498SS..Hα-helixtrans-58.5-37.7175.4175.40000112.1K54 F56 T61 F62K54-V58 WeakPolarHBondContact O-CG2 3.44Å; K54-V58 PolarHBondContact O-N 3.3Å; K54-V58 VanDerWaalsContact O-N 3.14Å; F56-V58 VanDerWaalsContact C-N 3.34Å; F56-V58 PolarHBondContact O-N 3.03Å; V58-T61 PolarHBondContact O-N 3.41Å; V58-T61 PolarHBondContact O-OG1 3.25Å; V58-F62 VanDerWaalsContact O-CB 3.28Å; V58-F62 WeakPolarHBondContact O-CB 2.95Å; V58-F62 PolarHBondContact O-N 3.22Å
59A92.6Very high90.4Very high56 Ų5692.3 Ų92.346%0.46348%0.478SS..Hα-helixtrans-67.7-37.6177.700000112.6F55 F56 L57 L63F55-A59 PolarHBondContact O-N 3.34Å; F56-A59 WeakPolarHBondContact O-CB 3.46Å; F56-A59 PolarHBondContact O-N 3.49Å; L57-A59 VanDerWaalsContact C-N 3.27Å; L57-A59 PolarHBondContact O-N 3.2Å; A59-L63 PolarHBondContact O-N 3.46Å; A59-L63 VanDerWaalsContact O-N 3.08Å
60I92.7Very high91.1Very high72 Ų7290.6 Ų90.637%0.36947%0.474SS..Hα-helixtrans-67.5-44.2175.6-68.6172000110.3F56 L57 L63 L64F56-I60 HydrophobicContact CD1-CD1 3.96Å; F56-I60 HydrophobicContact CE1-CD1 3.32Å; F56-I60 HydrophobicContact CE1-CG1 4.32Å; F56-I60 HydrophobicContact CE2-CD1 4.32Å; F56-I60 HydrophobicContact CZ-CD1 3.54Å; F56-I60 HydrophobicContact CZ-CG1 4.24Å; F56-I60 PolarHBondContact O-N 3.17Å; F56-I60 VanDerWaalsContact O-N 3.17Å; L57-I60 PolarHBondContact O-N 2.91Å; L57-I60 VanDerWaalsContact O-N 3.13Å; I60-L63 WeakPolarHBondContact O-CB 3.45Å; I60-L63 PolarHBondContact O-N 3.48Å; I60-L63 VanDerWaalsContact O-N 3.15Å; I60-L64 HydrophobicContact CG2-CD1 4.29Å; I60-L64 PolarHBondContact O-N 2.96Å
61T92.2Very high91.7Very high25 Ų2589.8 Ų89.815%0.15346%0.462CS..Hα-helixtrans-70.9-34.8-177.758.70000111.6L57 V58 L63 L64 F65 E105L57-T61 WeakPolarHBondContact O-CG2 3.39Å; L57-T61 PolarHBondContact O-N 3.35Å; L57-T61 PolarHBondContact O-OG1 3.13Å; V58-T61 PolarHBondContact O-N 3.41Å; V58-T61 PolarHBondContact O-OG1 3.25Å; T61-L63 PolarHBondContact O-N 2.88Å; T61-L64 PolarHBondContact O-N 3.36Å; T61-F65 WeakPolarHBondContact O-CD2 3.45Å; T61-F65 WeakPolarHBondContact O-CG 3.15Å; T61-F65 PolarHBondContact O-N 3.46Å; T61-E105 VanDerWaalsContact CB-OE1 3.28Å; T61-E105 WeakPolarHBondContact CB-OE1 3.49Å; T61-E105 VanDerWaalsContact CB-OE2 3.3Å; T61-E105 WeakPolarHBondContact CB-OE2 3.43Å; T61-E105 HydrophobicContact CG2-CG 4.32Å; T61-E105 WeakPolarHBondContact CG2-OE1 3.28Å; T61-E105 VanDerWaalsContact CG2-OE2 3.3Å; T61-E105 WeakPolarHBondContact CG2-OE2 3.3Å; T61-E105 PolarHBondContact OG1-OE1 3.3Å
62F94.3Very high92.4Very high139 Ų13984.5 Ų84.561%0.6144%0.44SS*.Hα-helixtrans-55.7-47.2165.3172.9-103.1000112.6V58 L64 F65 D66V58-F62 VanDerWaalsContact O-CB 3.28Å; V58-F62 WeakPolarHBondContact O-CB 2.95Å; V58-F62 PolarHBondContact O-N 3.22Å; F62-L64 PolarHBondContact O-N 3.48Å; F62-F65 PolarHBondContact O-N 3.15Å; F62-D66 WeakPolarHBondContact O-CB 3.3Å; F62-D66 PolarHBondContact O-N 3.08Å
63L94.9Very high92.8Very high104 Ų10487.7 Ų87.755%0.54545%0.452SS..Hα-helixtrans-62.5-42.1-179.9-176.1153.8000112.2A59 I60 T61 D66 L67A59-L63 PolarHBondContact O-N 3.46Å; A59-L63 VanDerWaalsContact O-N 3.08Å; I60-L63 WeakPolarHBondContact O-CB 3.45Å; I60-L63 PolarHBondContact O-N 3.48Å; I60-L63 VanDerWaalsContact O-N 3.15Å; T61-L63 PolarHBondContact O-N 2.88Å; L63-D66 PolarHBondContact O-N 3.46Å; L63-L67 HydrophobicContact CD2-CD1 4.14Å; L63-L67 PolarHBondContact O-N 2.91Å
64L94.3Very high93.3Very high94 Ų9484 Ų8449%0.49244%0.439SS..Hα-helixtrans-65.7-44.8177.2-68.2176.1000111.5I60 T61 F62 D66 L67 E68I60-L64 HydrophobicContact CG2-CD1 4.29Å; I60-L64 PolarHBondContact O-N 2.96Å; T61-L64 PolarHBondContact O-N 3.36Å; F62-L64 PolarHBondContact O-N 3.48Å; L64-D66 VanDerWaalsContact C-N 3.34Å; L64-D66 PolarHBondContact O-N 3.37Å; L64-L67 PolarHBondContact O-N 3.47Å; L64-E68 PolarHBondContact O-N 3.26Å; L64-E68 VanDerWaalsContact O-N 3.13Å
65F95.1Very high93.6Very high42 Ų4279.5 Ų79.518%0.18442%0.421CS..Hα-helixtrans-65.8-34.7176.9-70.6-43.7000112.9T61 F62 L67 E68 I69 L98 S101 L102T61-F65 WeakPolarHBondContact O-CD2 3.45Å; T61-F65 WeakPolarHBondContact O-CG 3.15Å; T61-F65 PolarHBondContact O-N 3.46Å; F62-F65 PolarHBondContact O-N 3.15Å; F65-L67 VanDerWaalsContact C-N 3.33Å; F65-L67 PolarHBondContact O-N 2.98Å; F65-E68 PolarHBondContact O-N 3.26Å; F65-I69 WeakPolarHBondContact O-CB 3.43Å; F65-I69 VanDerWaalsContact O-CG1 3.25Å; F65-I69 WeakPolarHBondContact O-CG1 3.16Å; F65-I69 PolarHBondContact O-N 2.91Å; F65-L98 HydrophobicContact CD1-CD1 4.47Å; F65-L98 HydrophobicContact CD1-CD2 4.47Å; F65-L98 HydrophobicContact CD1-CG 4.03Å; F65-L98 HydrophobicContact CE1-CD2 4.39Å; F65-L98 HydrophobicContact CE1-CG 4.13Å; F65-S101 WeakPolarHBondContact CE1-OG 3.35Å; F65-L102 HydrophobicContact CE1-CB 4.38Å; F65-L102 HydrophobicContact CE2-CD1 3.89Å; F65-L102 HydrophobicContact CZ-CB 3.83Å; F65-L102 HydrophobicContact CZ-CD1 3.81Å; F65-L102 HydrophobicContact CZ-CG 4.42Å
66D96.5Very high94Very high87 Ų8777.5 Ų77.547%0.46542%0.421SS..Hα-helixtrans-63.6-39.2175.8-165.434.6000111.5F62 L63 L64 I69 A70F62-D66 WeakPolarHBondContact O-CB 3.3Å; F62-D66 PolarHBondContact O-N 3.08Å; L63-D66 PolarHBondContact O-N 3.46Å; L64-D66 VanDerWaalsContact C-N 3.34Å; L64-D66 PolarHBondContact O-N 3.37Å; D66-I69 PolarHBondContact O-N 3.01Å; D66-A70 WeakPolarHBondContact O-CB 3.5Å; D66-A70 PolarHBondContact O-N 3.31Å
67L96.2Very high94.3Very high105 Ų10581.2 Ų81.255%0.5543%0.432SS..Hα-helixtrans-63.3-42.8172.4-80.8171.5000112.5L63 L64 F65 A70 L71L63-L67 HydrophobicContact CD2-CD1 4.14Å; L63-L67 PolarHBondContact O-N 2.91Å; L64-L67 PolarHBondContact O-N 3.47Å; F65-L67 VanDerWaalsContact C-N 3.33Å; F65-L67 PolarHBondContact O-N 2.98Å; L67-A70 WeakPolarHBondContact O-CB 3.33Å; L67-A70 PolarHBondContact O-N 3.14Å; L67-L71 WeakPolarHBondContact O-CG 3.25Å; L67-L71 PolarHBondContact O-N 3.38Å; L67-L71 VanDerWaalsContact O-N 3.17Å
68E94.8Very high94.5Very high42 Ų4278.7 Ų78.720%0.19642%0.423CS..Hα-helixtrans-67.3-37.8177.4-67.7-178.6174.100112L64 F65 L71 L72 L94 L98L64-E68 PolarHBondContact O-N 3.26Å; L64-E68 VanDerWaalsContact O-N 3.13Å; F65-E68 PolarHBondContact O-N 3.26Å; E68-L71 WeakPolarHBondContact O-CB 3.11Å; E68-L71 PolarHBondContact O-N 3.22Å; E68-L72 PolarHBondContact O-N 3.22Å; E68-L72 VanDerWaalsContact O-N 3.12Å; E68-L94 HydrophobicContact CB-CD2 4.46Å; E68-L98 HydrophobicContact CB-CD1 3.95Å; E68-L98 WeakPolarHBondContact OE2-CA 3.28Å; E68-L98 VanDerWaalsContact OE2-CB 3.26Å; E68-L98 WeakPolarHBondContact OE2-CB 3.46Å; E68-L98 WeakPolarHBondContact OE2-CD1 3.4Å; E68-L98 WeakPolarHBondContact OE2-CG 3.43Å
69I95.7Very high94.5Very high94 Ų9481 Ų8148%0.48243%0.432SS..Hα-helixtrans-64.4-41173.5-69.3166.1000110.8F65 D66 L71 L72 L73F65-I69 WeakPolarHBondContact O-CB 3.43Å; F65-I69 VanDerWaalsContact O-CG1 3.25Å; F65-I69 WeakPolarHBondContact O-CG1 3.16Å; F65-I69 PolarHBondContact O-N 2.91Å; D66-I69 PolarHBondContact O-N 3.01Å; I69-L71 PolarHBondContact O-N 3.12Å; I69-L72 CarbonylContact O-C 3.58Å; I69-L72 PolarHBondContact O-N 3Å; I69-L73 PolarHBondContact O-N 3.07Å
70A96.6Very high94.6Very high58 Ų5886.3 Ų86.348%0.47945%0.447SS..Hα-helixtrans-59.3-34.917500000112D66 L67 P74D66-A70 WeakPolarHBondContact O-CB 3.5Å; D66-A70 PolarHBondContact O-N 3.31Å; L67-A70 WeakPolarHBondContact O-CB 3.33Å; L67-A70 PolarHBondContact O-N 3.14Å; A70-P74 WeakPolarHBondContact O-CD 3.45Å
71L94.9Very high94.6Very high114 Ų11485.9 Ų85.960%0.59745%0.448SS*.Hα-helixtrans-71.5-28.1173.6-66.3168.4000113.1L67 E68 I69 P74 L94L67-L71 WeakPolarHBondContact O-CG 3.25Å; L67-L71 PolarHBondContact O-N 3.38Å; L67-L71 VanDerWaalsContact O-N 3.17Å; E68-L71 WeakPolarHBondContact O-CB 3.11Å; E68-L71 PolarHBondContact O-N 3.22Å; I69-L71 PolarHBondContact O-N 3.12Å; L71-P74 WeakPolarHBondContact O-CD 3.42Å; L71-P74 WeakPolarHBondContact O-CG 3.45Å; L71-L94 HydrophobicContact CB-CD1 4Å
72L95.2Very high94.6Very high33 Ų3391.2 Ų91.217%0.17348%0.481CS..Hα-helixtrans-83-22.6175.9-68.7172.1000113.6E68 I69 P74 L75 L94 I95 L98E68-L72 PolarHBondContact O-N 3.22Å; E68-L72 VanDerWaalsContact O-N 3.12Å; I69-L72 CarbonylContact O-C 3.58Å; I69-L72 PolarHBondContact O-N 3Å; L72-P74 VanDerWaalsContact C-CD 3.42Å; L72-L75 HydrophobicContact CB-CD1 4.22Å; L72-L75 HydrophobicContact CD2-CD1 3.73Å; L72-L75 VanDerWaalsContact O-CB 3.31Å; L72-L75 WeakPolarHBondContact O-CB 3.26Å; L72-L75 WeakPolarHBondContact O-CD1 3.44Å; L72-L75 WeakPolarHBondContact O-CG 3.48Å; L72-L75 PolarHBondContact O-N 3.12Å; L72-L75 VanDerWaalsContact O-N 3.12Å; L72-L94 HydrophobicContact CD1-CD2 4.3Å; L72-L94 HydrophobicContact CD2-CB 4.36Å; L72-L94 HydrophobicContact CD2-CD1 4.45Å; L72-L94 HydrophobicContact CD2-CD2 3.94Å; L72-L94 HydrophobicContact CD2-CG 4.47Å; L72-L94 HydrophobicContact CG-CD2 3.93Å; L72-I95 HydrophobicContact CD1-CG1 4.36Å; L72-I95 HydrophobicContact CD2-CG1 4.05Å; L72-L98 HydrophobicContact CD1-CD1 4.36Å
73L96.4Very high94.6Very high118 Ų11889.4 Ų89.462%0.61848%0.478SS*.THydrogen-bonded Turntrans-53.6-39.1-179.7-158.6151.8000115.1I69 L75 P76I69-L73 PolarHBondContact O-N 3.07Å; L73-L75 PolarHBondContact O-N 2.87Å; L73-P76 WeakPolarHBondContact O-CD 3.42Å
74P94.3Very high94.5Very high58 Ų5888.5 Ų88.538%0.37747%0.473SS..THydrogen-bonded Turntrans-74.7117929.3-36.4000115.2A70 L71 L72 P76 W77 A78A70-P74 WeakPolarHBondContact O-CD 3.45Å; L71-P74 WeakPolarHBondContact O-CD 3.42Å; L71-P74 WeakPolarHBondContact O-CG 3.45Å; L72-P74 VanDerWaalsContact C-CD 3.42Å; P74-P76 VanDerWaalsContact C-CD 3.45Å; P74-W77 HydrophobicContact CB-CE3 4.22Å; P74-W77 PolarHBondContact O-N 2.93Å; P74-W77 VanDerWaalsContact O-N 3.07Å; P74-A78 PolarHBondContact O-N 3Å
75L94.1Very high94.5Very high54 Ų5488.7 Ų88.728%0.28348%0.48SS..Hα-helixtrans-54.5-40.7-178.9-74.4175.1000115.1L72 L73 W77 A78 L79 S91L72-L75 HydrophobicContact CB-CD1 4.22Å; L72-L75 HydrophobicContact CD2-CD1 3.73Å; L72-L75 VanDerWaalsContact O-CB 3.31Å; L72-L75 WeakPolarHBondContact O-CB 3.26Å; L72-L75 WeakPolarHBondContact O-CD1 3.44Å; L72-L75 WeakPolarHBondContact O-CG 3.48Å; L72-L75 PolarHBondContact O-N 3.12Å; L72-L75 VanDerWaalsContact O-N 3.12Å; L73-L75 PolarHBondContact O-N 2.87Å; L75-W77 PolarHBondContact O-N 2.86Å; L75-A78 WeakPolarHBondContact O-CB 3.49Å; L75-A78 PolarHBondContact O-N 3.32Å; L75-A78 VanDerWaalsContact O-N 3.08Å; L75-L79 PolarHBondContact O-N 3.03Å; L75-L79 VanDerWaalsContact O-N 3.16Å; L75-S91 VanDerWaalsContact CD2-CB 3.46Å
76P94Very high94.5Very high86 Ų8692.4 Ų92.456%0.55850%0.501SS*.Hα-helixtrans-59.1-33.8177.1-25.536.4000113.2L73 P74L73-P76 WeakPolarHBondContact O-CD 3.42Å; P74-P76 VanDerWaalsContact C-CD 3.45Å
77W94.2Very high94.4Very high185 Ų18589.2 Ų89.270%0.70148%0.483SS*.Hα-helixtrans-79-35.1175.1-58.4-35.5000111.7P74 L75 L79 Q80P74-W77 HydrophobicContact CB-CE3 4.22Å; P74-W77 PolarHBondContact O-N 2.93Å; P74-W77 VanDerWaalsContact O-N 3.07Å; L75-W77 PolarHBondContact O-N 2.86Å; W77-L79 PolarHBondContact O-N 3.31Å; W77-Q80 PolarHBondContact O-N 2.75Å; W77-Q80 VanDerWaalsContact O-N 3.1Å
78A93.4Very high94.3Very high25 Ų2587.4 Ų87.421%0.20748%0.477CS..Hα-helixtrans-63.4-21.4177.400000113.4P74 L75 Q80 T81 M87P74-A78 PolarHBondContact O-N 3Å; L75-A78 WeakPolarHBondContact O-CB 3.49Å; L75-A78 PolarHBondContact O-N 3.32Å; L75-A78 VanDerWaalsContact O-N 3.08Å; A78-Q80 PolarHBondContact O-N 3.17Å; A78-T81 WeakPolarHBondContact O-CB 3.24Å; A78-T81 VanDerWaalsContact O-CG2 3.24Å; A78-T81 WeakPolarHBondContact O-CG2 3.4Å; A78-T81 PolarHBondContact O-N 3.2Å; A78-T81 PolarHBondContact O-OG1 3.2Å; A78-M87 HydrophobicContact CB-CG 3.82Å; A78-M87 HydrophobicContact CB-SD 4.49Å; A78-M87 WeakPolarHBondContact O-CE 3.41Å
79L92.8Very high94.4Very high110 Ų11091.4 Ų91.458%0.57650%0.497SS*.THydrogen-bonded Turntrans-61.5-19172.4-72.3166.2000114L75 W77 T81 L84 M87L75-L79 PolarHBondContact O-N 3.03Å; L75-L79 VanDerWaalsContact O-N 3.16Å; W77-L79 PolarHBondContact O-N 3.31Å; L79-T81 VanDerWaalsContact C-N 3.3Å; L79-L84 WeakPolarHBondContact O-CD2 3.5Å; L79-M87 VanDerWaalsContact CA-CE 3.47Å; L79-M87 HydrophobicContact CB-CE 4.27Å; L79-M87 HydrophobicContact CD2-CE 3.5Å; L79-M87 HydrophobicContact CG-CE 3.94Å
80Q93.3Very high94.3Very high167 Ų16790.1 Ų90.178%0.7850%0.497SS*.THydrogen-bonded Turntrans-88.63.4179.3-59.6177.11.600113W77 A78W77-Q80 PolarHBondContact O-N 2.75Å; W77-Q80 VanDerWaalsContact O-N 3.1Å; A78-Q80 PolarHBondContact O-N 3.17Å
81T93.8Very high94.2Very high63 Ų6388.2 Ų88.239%0.38748%0.479SS..SBendtrans-73.4152.3-178.957.90000112.5A78 L79 N83A78-T81 WeakPolarHBondContact O-CB 3.24Å; A78-T81 VanDerWaalsContact O-CG2 3.24Å; A78-T81 WeakPolarHBondContact O-CG2 3.4Å; A78-T81 PolarHBondContact O-N 3.2Å; A78-T81 PolarHBondContact O-OG1 3.2Å; L79-T81 VanDerWaalsContact C-N 3.3Å; T81-N83 VanDerWaalsContact C-N 3.3Å; T81-N83 PolarHBondContact O-N 3.1Å
82T91.9Very high94.2Very high138 Ų13886.5 Ų86.585%0.84747%0.471SS*.SBendtrans-67.7-31.3177.952.80000112.6
83N94.3Very high94.3Very high100 Ų10090.1 Ų90.154%0.53549%0.489SS..  trans-102.467.5-178.9-70.5-32000111.8T81 P85 L86 M87T81-N83 VanDerWaalsContact C-N 3.3Å; T81-N83 PolarHBondContact O-N 3.1Å; N83-P85 VanDerWaalsContact C-CD 3.45Å; N83-L86 HydrophobicContact CB-CB 4.24Å; N83-L86 PolarHBondContact O-N 3.16Å; N83-M87 PolarHBondContact O-N 3.08Å
84L93.4Very high94.2Very high85 Ų8586.5 Ų86.545%0.44547%0.471SS..Hα-helixtrans-50.2-45.6174.2-70.5175.3000115.4L79 L86 M87 V88L79-L84 WeakPolarHBondContact O-CD2 3.5Å; L84-L86 VanDerWaalsContact C-N 3.31Å; L84-L86 PolarHBondContact O-N 3.25Å; L84-M87 HydrophobicContact CD2-CE 4.06Å; L84-M87 PolarHBondContact O-N 3.22Å; L84-V88 WeakPolarHBondContact O-CG2 3.4Å; L84-V88 PolarHBondContact O-N 3.45Å
85P94.1Very high94.3Very high98 Ų9887.6 Ų87.664%0.63647%0.472SS*.Hα-helixtrans-65.2-35.6-176.623.7-33.7000112.6N83 M89N83-P85 VanDerWaalsContact C-CD 3.45Å; P85-M89 WeakPolarHBondContact O-CB 3.31Å; P85-M89 WeakPolarHBondContact O-CG 3.31Å; P85-M89 PolarHBondContact O-N 3.1Å
86L94.6Very high94.5Very high120 Ų12089.8 Ų89.863%0.62848%0.483SS*.Hα-helixtrans-67.5-44.1176.7-178.765.9000111N83 L84 M89 S90N83-L86 HydrophobicContact CB-CB 4.24Å; N83-L86 PolarHBondContact O-N 3.16Å; L84-L86 VanDerWaalsContact C-N 3.31Å; L84-L86 PolarHBondContact O-N 3.25Å; L86-M89 PolarHBondContact O-N 3.19Å; L86-S90 WeakPolarHBondContact O-CB 3.39Å; L86-S90 PolarHBondContact O-N 2.94Å; L86-S90 PolarHBondContact O-OG 3.28Å
87M94.8Very high94.6Very high20 Ų2089.8 Ų89.810%0.09948%0.478CS..Hα-helixtrans-60.4-48.8177.5177.8-85.6-82.600111.2A78 L79 N83 L84 M89 S90 S91A78-M87 HydrophobicContact CB-CG 3.82Å; A78-M87 HydrophobicContact CB-SD 4.49Å; A78-M87 WeakPolarHBondContact O-CE 3.41Å; L79-M87 VanDerWaalsContact CA-CE 3.47Å; L79-M87 HydrophobicContact CB-CE 4.27Å; L79-M87 HydrophobicContact CD2-CE 3.5Å; L79-M87 HydrophobicContact CG-CE 3.94Å; N83-M87 PolarHBondContact O-N 3.08Å; L84-M87 HydrophobicContact CD2-CE 4.06Å; L84-M87 PolarHBondContact O-N 3.22Å; M87-M89 PolarHBondContact O-N 3.44Å; M87-S90 PolarHBondContact O-N 2.76Å; M87-S90 PolarHBondContact O-OG 3.29Å; M87-S91 PolarHBondContact O-N 3.39Å; M87-S91 PolarHBondContact O-OG 2.95Å
88V94.5Very high94.6Very high67 Ų6782.9 Ų82.941%0.40645%0.454SS..Hα-helixtrans-62-41.7178.7173.10000111.7L84 S91 L92L84-V88 WeakPolarHBondContact O-CG2 3.4Å; L84-V88 PolarHBondContact O-N 3.45Å; V88-S91 PolarHBondContact O-OG 3.48Å; V88-S91 VanDerWaalsContact O-OG 3.06Å; V88-L92 HydrophobicContact CG1-CD1 3.78Å; V88-L92 HydrophobicContact CG1-CG 4.36Å; V88-L92 WeakPolarHBondContact O-CB 3.17Å; V88-L92 VanDerWaalsContact O-CG 3.28Å; V88-L92 WeakPolarHBondContact O-CG 3.44Å; V88-L92 PolarHBondContact O-N 3.24Å
89M95.8Very high94.7Very high126 Ų12684.3 Ų84.362%0.62147%0.466SS*.Hα-helixtrans-60.6-46.7174.6-85-83.8103.300111.9P85 L86 M87 L92 L93P85-M89 WeakPolarHBondContact O-CB 3.31Å; P85-M89 WeakPolarHBondContact O-CG 3.31Å; P85-M89 PolarHBondContact O-N 3.1Å; L86-M89 PolarHBondContact O-N 3.19Å; M87-M89 PolarHBondContact O-N 3.44Å; M89-L92 HydrophobicContact CE-CD1 4.46Å; M89-L93 WeakPolarHBondContact O-CB 3.46Å; M89-L93 PolarHBondContact O-N 3.42Å
90S93.8Very high94.8Very high68 Ų6884.4 Ų84.448%0.47647%0.467SS..Hα-helixtrans-65.9-39.4-178.9680000112.9L86 M87 L93 L94L86-S90 WeakPolarHBondContact O-CB 3.39Å; L86-S90 PolarHBondContact O-N 2.94Å; L86-S90 PolarHBondContact O-OG 3.28Å; M87-S90 PolarHBondContact O-N 2.76Å; M87-S90 PolarHBondContact O-OG 3.29Å; S90-L93 PolarHBondContact O-N 3.01Å; S90-L94 PolarHBondContact O-N 3.31Å; S90-L94 VanDerWaalsContact O-N 3.1Å
91S94.8Very high94.8Very high17 Ų1778.5 Ų78.512%0.11944%0.444CS..Hα-helixtrans-71.8-41.1179.6630000112.1L75 M87 V88 L93 L94 I95L75-S91 VanDerWaalsContact CD2-CB 3.46Å; M87-S91 PolarHBondContact O-N 3.39Å; M87-S91 PolarHBondContact O-OG 2.95Å; V88-S91 PolarHBondContact O-OG 3.48Å; V88-S91 VanDerWaalsContact O-OG 3.06Å; S91-L93 VanDerWaalsContact C-N 3.33Å; S91-L93 PolarHBondContact O-N 3.43Å; S91-L94 PolarHBondContact O-N 3.35Å; S91-I95 VanDerWaalsContact O-CG1 3.31Å; S91-I95 WeakPolarHBondContact O-CG1 3.4Å; S91-I95 PolarHBondContact O-N 2.97Å
92L95.8Very high94.8Very high79 Ų7978.9 Ų78.941%0.41444%0.443SS..Hα-helixtrans-60.9-42.7172.5-76.9170.6000111.6V88 M89 L94 I95 I96V88-L92 HydrophobicContact CG1-CD1 3.78Å; V88-L92 HydrophobicContact CG1-CG 4.36Å; V88-L92 WeakPolarHBondContact O-CB 3.17Å; V88-L92 VanDerWaalsContact O-CG 3.28Å; V88-L92 WeakPolarHBondContact O-CG 3.44Å; V88-L92 PolarHBondContact O-N 3.24Å; M89-L92 HydrophobicContact CE-CD1 4.46Å; L92-L94 VanDerWaalsContact C-N 3.31Å; L92-L94 PolarHBondContact O-N 3.47Å; L92-I95 PolarHBondContact O-N 3.47Å; L92-I96 WeakPolarHBondContact O-CB 3.34Å; L92-I96 WeakPolarHBondContact O-CD1 3.3Å; L92-I96 VanDerWaalsContact O-CG1 3.23Å; L92-I96 WeakPolarHBondContact O-CG1 3.3Å; L92-I96 PolarHBondContact O-N 3.02Å
93L96.1Very high95Very high108 Ų10874.6 Ų74.657%0.56542%0.421SS*.Hα-helixtrans-60.5-42.3177.2-176.7142.6000111.5M89 S90 S91 I96 I97M89-L93 WeakPolarHBondContact O-CB 3.46Å; M89-L93 PolarHBondContact O-N 3.42Å; S90-L93 PolarHBondContact O-N 3.01Å; S91-L93 VanDerWaalsContact C-N 3.33Å; S91-L93 PolarHBondContact O-N 3.43Å; L93-I96 PolarHBondContact O-N 3.03Å; L93-I97 HydrophobicContact CD2-CD1 3.54Å; L93-I97 HydrophobicContact CD2-CG1 4.5Å; L93-I97 HydrophobicContact CG-CD1 4.33Å; L93-I97 WeakPolarHBondContact O-CG1 3.39Å; L93-I97 PolarHBondContact O-N 3.3Å
94L95.6Very high95Very high43 Ų4377.1 Ų77.123%0.22543%0.425CS..Hα-helixtrans-64.3-44.4177.4-153.4161.4000111.5E68 L71 L72 S90 S91 L92 I96 I97 L98E68-L94 HydrophobicContact CB-CD2 4.46Å; L71-L94 HydrophobicContact CB-CD1 4Å; L72-L94 HydrophobicContact CD1-CD2 4.3Å; L72-L94 HydrophobicContact CD2-CB 4.36Å; L72-L94 HydrophobicContact CD2-CD1 4.45Å; L72-L94 HydrophobicContact CD2-CD2 3.94Å; L72-L94 HydrophobicContact CD2-CG 4.47Å; L72-L94 HydrophobicContact CG-CD2 3.93Å; S90-L94 PolarHBondContact O-N 3.31Å; S90-L94 VanDerWaalsContact O-N 3.1Å; S91-L94 PolarHBondContact O-N 3.35Å; L92-L94 VanDerWaalsContact C-N 3.31Å; L92-L94 PolarHBondContact O-N 3.47Å; L94-I96 VanDerWaalsContact C-N 3.33Å; L94-I96 PolarHBondContact O-N 3.21Å; L94-I97 PolarHBondContact O-N 2.93Å; L94-L98 PolarHBondContact O-N 2.91Å
95I96.3Very high94.9Very high81 Ų8174.1 Ų74.142%0.41541%0.408SS..Hα-helixtrans-62.9-39.2176.6-65.5164.2000111.4L72 S91 L92 L98 A99L72-I95 HydrophobicContact CD1-CG1 4.36Å; L72-I95 HydrophobicContact CD2-CG1 4.05Å; S91-I95 VanDerWaalsContact O-CG1 3.31Å; S91-I95 WeakPolarHBondContact O-CG1 3.4Å; S91-I95 PolarHBondContact O-N 2.97Å; L92-I95 PolarHBondContact O-N 3.47Å; I95-L98 PolarHBondContact O-N 3.12Å; I95-A99 WeakPolarHBondContact O-CB 3.47Å; I95-A99 PolarHBondContact O-N 2.91Å
96I97Very high94.8Very high99 Ų9978.5 Ų78.551%0.50841%0.412SS..Hα-helixtrans-64.1-42.8176.8-71163.2000110.7L92 L93 L94 L98 A99 L100L92-I96 WeakPolarHBondContact O-CB 3.34Å; L92-I96 WeakPolarHBondContact O-CD1 3.3Å; L92-I96 VanDerWaalsContact O-CG1 3.23Å; L92-I96 WeakPolarHBondContact O-CG1 3.3Å; L92-I96 PolarHBondContact O-N 3.02Å; L93-I96 PolarHBondContact O-N 3.03Å; L94-I96 VanDerWaalsContact C-N 3.33Å; L94-I96 PolarHBondContact O-N 3.21Å; I96-L98 VanDerWaalsContact C-N 3.34Å; I96-L98 PolarHBondContact O-N 3.49Å; I96-A99 PolarHBondContact O-N 3.36Å; I96-L100 HydrophobicContact CG2-CD1 3.9Å; I96-L100 HydrophobicContact CG2-CG 4.35Å; I96-L100 WeakPolarHBondContact O-CB 3.3Å; I96-L100 VanDerWaalsContact O-CG 3.3Å; I96-L100 WeakPolarHBondContact O-CG 3.36Å; I96-L100 PolarHBondContact O-N 3.4Å
97I95.7Very high94.9Very high86 Ų8679.3 Ų79.344%0.44142%0.416SS..Hα-helixtrans-61-44.9176.7-69.6168.7000110.5L93 L94 A99 L100 S101L93-I97 HydrophobicContact CD2-CD1 3.54Å; L93-I97 HydrophobicContact CD2-CG1 4.5Å; L93-I97 HydrophobicContact CG-CD1 4.33Å; L93-I97 WeakPolarHBondContact O-CG1 3.39Å; L93-I97 PolarHBondContact O-N 3.3Å; L94-I97 PolarHBondContact O-N 2.93Å; I97-A99 PolarHBondContact O-N 3.31Å; I97-L100 PolarHBondContact O-N 3.35Å; I97-S101 PolarHBondContact O-N 3.46Å; I97-S101 PolarHBondContact O-OG 3.03Å
98L95.3Very high94.7Very high41 Ų4184.3 Ų84.322%0.21544%0.439CS..Hα-helixtrans-60.7-43176.3-171.9156.6000112F65 E68 L72 L94 I95 I96 L100 S101 L102F65-L98 HydrophobicContact CD1-CD1 4.47Å; F65-L98 HydrophobicContact CD1-CD2 4.47Å; F65-L98 HydrophobicContact CD1-CG 4.03Å; F65-L98 HydrophobicContact CE1-CD2 4.39Å; F65-L98 HydrophobicContact CE1-CG 4.13Å; E68-L98 HydrophobicContact CB-CD1 3.95Å; E68-L98 WeakPolarHBondContact OE2-CA 3.28Å; E68-L98 VanDerWaalsContact OE2-CB 3.26Å; E68-L98 WeakPolarHBondContact OE2-CB 3.46Å; E68-L98 WeakPolarHBondContact OE2-CD1 3.4Å; E68-L98 WeakPolarHBondContact OE2-CG 3.43Å; L72-L98 HydrophobicContact CD1-CD1 4.36Å; L94-L98 PolarHBondContact O-N 2.91Å; I95-L98 PolarHBondContact O-N 3.12Å; I96-L98 VanDerWaalsContact C-N 3.34Å; I96-L98 PolarHBondContact O-N 3.49Å; L98-L100 VanDerWaalsContact C-N 3.33Å; L98-L100 PolarHBondContact O-N 3.05Å; L98-S101 WeakPolarHBondContact CA-OG 3.46Å; L98-S101 PolarHBondContact O-N 3.37Å; L98-S101 PolarHBondContact O-OG 3.28Å; L98-L102 PolarHBondContact O-N 2.87Å; L98-L102 VanDerWaalsContact O-N 3.12Å
99A95.3Very high94.3Very high55 Ų5589.8 Ų89.846%0.45546%0.458SS..Hα-helixtrans-65.1-38.4176.800000112I95 I96 I97 A103I95-A99 WeakPolarHBondContact O-CB 3.47Å; I95-A99 PolarHBondContact O-N 2.91Å; I96-A99 PolarHBondContact O-N 3.36Å; I97-A99 PolarHBondContact O-N 3.31Å; A99-A103 VanDerWaalsContact O-CB 3.3Å; A99-A103 WeakPolarHBondContact O-CB 3.28Å; A99-A103 PolarHBondContact O-N 3.06Å
100L96Very high93.4Very high112 Ų11284.6 Ų84.659%0.58644%0.436SS*.Hα-helixtrans-69.8-39.9177.5-74.4172.4000112.3I96 I97 L98 A103 Y104I96-L100 HydrophobicContact CG2-CD1 3.9Å; I96-L100 HydrophobicContact CG2-CG 4.35Å; I96-L100 WeakPolarHBondContact O-CB 3.3Å; I96-L100 VanDerWaalsContact O-CG 3.3Å; I96-L100 WeakPolarHBondContact O-CG 3.36Å; I96-L100 PolarHBondContact O-N 3.4Å; I97-L100 PolarHBondContact O-N 3.35Å; L98-L100 VanDerWaalsContact C-N 3.33Å; L98-L100 PolarHBondContact O-N 3.05Å; L100-A103 PolarHBondContact O-N 3Å; L100-Y104 WeakPolarHBondContact O-CB 3.32Å; L100-Y104 PolarHBondContact O-N 3.29Å
101S93.1Very high92.5Very high42 Ų4287.3 Ų87.329%0.29445%0.445SS..Hα-helixtrans-63.8-43.3177610000111.1F65 I97 L98 Y104 E105F65-S101 WeakPolarHBondContact CE1-OG 3.35Å; I97-S101 PolarHBondContact O-N 3.46Å; I97-S101 PolarHBondContact O-OG 3.03Å; L98-S101 WeakPolarHBondContact CA-OG 3.46Å; L98-S101 PolarHBondContact O-N 3.37Å; L98-S101 PolarHBondContact O-OG 3.28Å; S101-Y104 PolarHBondContact O-N 3.42Å; S101-E105 PolarHBondContact O-N 3.46Å
102L93.6Very high92.4Very high72 Ų7290.8 Ų90.838%0.37746%0.461SS..Hα-helixtrans-63-45.1173.6-176.368.8000112.3F65 L98 Y104 E105 W106 L111F65-L102 HydrophobicContact CE1-CB 4.38Å; F65-L102 HydrophobicContact CE2-CD1 3.89Å; F65-L102 HydrophobicContact CZ-CB 3.83Å; F65-L102 HydrophobicContact CZ-CD1 3.81Å; F65-L102 HydrophobicContact CZ-CG 4.42Å; L98-L102 PolarHBondContact O-N 2.87Å; L98-L102 VanDerWaalsContact O-N 3.12Å; L102-Y104 VanDerWaalsContact C-N 3.28Å; L102-Y104 PolarHBondContact O-N 3.08Å; L102-E105 PolarHBondContact O-N 3.31Å; L102-W106 PolarHBondContact O-N 3.43Å; L102-L111 HydrophobicContact CD1-CD1 4.38Å
103A95.2Very high92.2Very high47 Ų4791.4 Ų91.439%0.38846%0.464SS..Hα-helixtrans-61.5-39.1178.400000111.8A99 L100 L107A99-A103 VanDerWaalsContact O-CB 3.3Å; A99-A103 WeakPolarHBondContact O-CB 3.28Å; A99-A103 PolarHBondContact O-N 3.06Å; L100-A103 PolarHBondContact O-N 3Å; A103-L107 VanDerWaalsContact O-CG 3.3Å; A103-L107 WeakPolarHBondContact O-CG 3.23Å; A103-L107 PolarHBondContact O-N 3.35Å
104Y94.1Very high92Very high154 Ų15490.5 Ų90.560%0.60446%0.458SS*.Hα-helixtrans-63.7-47.1175.8178.6-98.1000112L100 S101 L102 W106 L107 Q108L100-Y104 WeakPolarHBondContact O-CB 3.32Å; L100-Y104 PolarHBondContact O-N 3.29Å; S101-Y104 PolarHBondContact O-N 3.42Å; L102-Y104 VanDerWaalsContact C-N 3.28Å; L102-Y104 PolarHBondContact O-N 3.08Å; Y104-W106 VanDerWaalsContact C-N 3.33Å; Y104-W106 PolarHBondContact O-N 3.27Å; Y104-L107 PolarHBondContact O-N 3.02Å; Y104-Q108 HydrophobicContact CD1-CG 4.49Å; Y104-Q108 HydrophobicContact CD2-CG 4.47Å; Y104-Q108 HydrophobicContact CE1-CG 4.08Å; Y104-Q108 HydrophobicContact CE2-CG 4.06Å; Y104-Q108 WeakPolarHBondContact O-CG 3.49Å; Y104-Q108 PolarHBondContact O-N 3.41Å; Y104-Q108 VanDerWaalsContact O-N 3.08Å
105E92.6Very high91.8Very high21 Ų2193.3 Ų93.310%0.09847%0.472CS..Hα-helixtrans-61.4-41.3178.5-169.1-175.4176.800112T61 S101 L102 Q108 K109 G110 L111T61-E105 VanDerWaalsContact CB-OE1 3.28Å; T61-E105 WeakPolarHBondContact CB-OE1 3.49Å; T61-E105 VanDerWaalsContact CB-OE2 3.3Å; T61-E105 WeakPolarHBondContact CB-OE2 3.43Å; T61-E105 HydrophobicContact CG2-CG 4.32Å; T61-E105 WeakPolarHBondContact CG2-OE1 3.28Å; T61-E105 VanDerWaalsContact CG2-OE2 3.3Å; T61-E105 WeakPolarHBondContact CG2-OE2 3.3Å; T61-E105 PolarHBondContact OG1-OE1 3.3Å; S101-E105 PolarHBondContact O-N 3.46Å; L102-E105 PolarHBondContact O-N 3.31Å; E105-Q108 PolarHBondContact O-N 3.21Å; E105-K109 PolarHBondContact O-N 2.98Å; E105-G110 PolarHBondContact O-N 3.01Å; E105-L111 HydrophobicContact CG-CD1 4.38Å; E105-L111 HydrophobicContact CG-CG 4.15Å
106W92.3Very high91.5Very high190 Ų19094.1 Ų94.172%0.7248%0.475SS*.Hα-helixtrans-59.8-51.6174.9-172-45.8000111.1L102 Y104 Q108 K109 L111L102-W106 PolarHBondContact O-N 3.43Å; Y104-W106 VanDerWaalsContact C-N 3.33Å; Y104-W106 PolarHBondContact O-N 3.27Å; W106-Q108 PolarHBondContact O-N 3.36Å; W106-K109 PolarHBondContact O-N 3.06Å; W106-L111 HydrophobicContact CB-CD1 4.44Å
107L94.8Very high91.1Very high137 Ų13793.7 Ų93.772%0.71747%0.473SS*.Hα-helixtrans-61-34.4-177.3-74.5168.9000112.4A103 Y104 K109A103-L107 VanDerWaalsContact O-CG 3.3Å; A103-L107 WeakPolarHBondContact O-CG 3.23Å; A103-L107 PolarHBondContact O-N 3.35Å; Y104-L107 PolarHBondContact O-N 3.02Å; L107-K109 VanDerWaalsContact C-N 3.26Å; L107-K109 PolarHBondContact O-N 3Å
108Q91.4Very high90.8Very high125 Ų12594.3 Ų94.358%0.58448%0.475SS*.THydrogen-bonded Turntrans-81.93.3178-64.1-63.4-7.800114.2Y104 E105 W106 G110Y104-Q108 HydrophobicContact CD1-CG 4.49Å; Y104-Q108 HydrophobicContact CD2-CG 4.47Å; Y104-Q108 HydrophobicContact CE1-CG 4.08Å; Y104-Q108 HydrophobicContact CE2-CG 4.06Å; Y104-Q108 WeakPolarHBondContact O-CG 3.49Å; Y104-Q108 PolarHBondContact O-N 3.41Å; Y104-Q108 VanDerWaalsContact O-N 3.08Å; E105-Q108 PolarHBondContact O-N 3.21Å; W106-Q108 PolarHBondContact O-N 3.36Å; Q108-G110 PolarHBondContact O-N 2.9Å
109K85.8Confident90.4Very high183 Ų18398.4 Ų98.480%0.79650%0.495SS*.THydrogen-bonded Turntrans55.735.9-176-52.5178.3-178.7176.40112.5E105 W106 L107E105-K109 PolarHBondContact O-N 2.98Å; W106-K109 PolarHBondContact O-N 3.06Å; L107-K109 VanDerWaalsContact C-N 3.26Å; L107-K109 PolarHBondContact O-N 3Å
110G77.6Confident90Very high16 Ų16102 Ų10217%0.16550%0.499CS..  trans-71-23.517200000112.7E105 Q108E105-G110 PolarHBondContact O-N 3.01Å; Q108-G110 PolarHBondContact O-N 2.9Å
111L74.1Confident89.5Confident125 Ų125101.1 Ų101.165%0.65449%0.491SS*.  trans-92.70173.8-67.2159.3000111.7L102 E105 W106L102-L111 HydrophobicContact CD1-CD1 4.38Å; E105-L111 HydrophobicContact CG-CD1 4.38Å; E105-L111 HydrophobicContact CG-CG 4.15Å; W106-L111 HydrophobicContact CB-CD1 4.44Å

Retrieved 111 of 111 residues in 156.1 ms (Link to these results)

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