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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 (D1GI42), UniProt , Accession A0A059RMI8, Species HUMAN (Homo sapiens, Human), Gene ND3, Length 115 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
1M74.7Confident94.8Very high187 Ų187107 Ų10792%0.92156%0.564SS**  0-50.90-156.4147.868.200111.8F3 A4 L5M1-F3 PolarHBondContact O-N 3.46Å; M1-A4 PolarHBondContact O-N 3.37Å; M1-L5 HydrophobicContact CG-CD1 4.19Å; M1-L5 WeakPolarHBondContact O-CG 3.48Å; M1-L5 PolarHBondContact O-N 3.08Å
2N93.9Very high95.1Very high125 Ų125105.8 Ų105.867%0.66856%0.558SS**Hα-helixtrans-59.5-42.6-178.3-60.43.4000114.4L5 I6N2-L5 WeakPolarHBondContact O-CB 3.33Å; N2-L5 PolarHBondContact O-N 3.1Å; N2-I6 WeakPolarHBondContact O-CG1 3.22Å; N2-I6 PolarHBondContact O-N 3.47Å
3F95.4Very high95.3Very high148 Ų148105.2 Ų105.265%0.64955%0.554SS**Hα-helixtrans-63.6-43.8176.9-177.8-108000112.6M1 L5 I6 L7M1-F3 PolarHBondContact O-N 3.46Å; F3-L5 VanDerWaalsContact C-N 3.3Å; F3-L5 PolarHBondContact O-N 3.19Å; F3-I6 PolarHBondContact O-N 3.27Å; F3-L7 HydrophobicContact CD1-CD1 3.9Å; F3-L7 HydrophobicContact CE1-CD1 3.37Å; F3-L7 HydrophobicContact CE1-CG 4.14Å; F3-L7 HydrophobicContact CZ-CD1 3.76Å; F3-L7 HydrophobicContact CZ-CD2 4.39Å; F3-L7 HydrophobicContact CZ-CG 4.13Å; F3-L7 PolarHBondContact O-N 3.18Å
4A96Very high95.5Very high62 Ų62102.1 Ų102.151%0.51255%0.551SS.*Hα-helixtrans-62.5-38.3175.800000111.7M1 L7 M8M1-A4 PolarHBondContact O-N 3.37Å; A4-L7 PolarHBondContact O-N 3.25Å; A4-M8 WeakPolarHBondContact O-CB 3.39Å; A4-M8 PolarHBondContact O-N 3.02Å
5L96.9Very high95.7Very high84 Ų84101.3 Ų101.344%0.4455%0.546SS..Hα-helixtrans-63.4-42.5174.3-72168000111.9M1 N2 F3 M8 I9M1-L5 HydrophobicContact CG-CD1 4.19Å; M1-L5 WeakPolarHBondContact O-CG 3.48Å; M1-L5 PolarHBondContact O-N 3.08Å; N2-L5 WeakPolarHBondContact O-CB 3.33Å; N2-L5 PolarHBondContact O-N 3.1Å; F3-L5 VanDerWaalsContact C-N 3.3Å; F3-L5 PolarHBondContact O-N 3.19Å; L5-M8 PolarHBondContact O-N 2.97Å; L5-I9 VanDerWaalsContact O-CG1 3.25Å; L5-I9 WeakPolarHBondContact O-CG1 3.44Å; L5-I9 PolarHBondContact O-N 3.21Å
6I97.4Very high95.8Very high93 Ų93100.8 Ų100.848%0.47754%0.542SS..Hα-helixtrans-62-46.7176.7-68163.9000110.9N2 F3 M8 I9 N10N2-I6 WeakPolarHBondContact O-CG1 3.22Å; N2-I6 PolarHBondContact O-N 3.47Å; F3-I6 PolarHBondContact O-N 3.27Å; I6-M8 VanDerWaalsContact C-N 3.31Å; I6-M8 PolarHBondContact O-N 2.93Å; I6-I9 PolarHBondContact O-N 2.94Å; I6-N10 PolarHBondContact O-N 2.76Å; I6-N10 PolarHBondContact O-ND2 3.16Å
7L97.5Very high95.9Very high87 Ų87100.6 Ų100.646%0.45554%0.54SS..Hα-helixtrans-61.1-41.2176.3-72.4175.7000111.8F3 A4 N10 T11F3-L7 HydrophobicContact CD1-CD1 3.9Å; F3-L7 HydrophobicContact CE1-CD1 3.37Å; F3-L7 HydrophobicContact CE1-CG 4.14Å; F3-L7 HydrophobicContact CZ-CD1 3.76Å; F3-L7 HydrophobicContact CZ-CD2 4.39Å; F3-L7 HydrophobicContact CZ-CG 4.13Å; F3-L7 PolarHBondContact O-N 3.18Å; A4-L7 PolarHBondContact O-N 3.25Å; L7-N10 PolarHBondContact O-N 3.17Å; L7-T11 WeakPolarHBondContact O-CB 3.39Å; L7-T11 WeakPolarHBondContact O-CG2 3.32Å; L7-T11 PolarHBondContact O-N 3.18Å; L7-T11 PolarHBondContact O-OG1 3.24Å
8M97.6Very high95.9Very high110 Ų110101.2 Ų101.254%0.54254%0.541SS..Hα-helixtrans-63.9-44.3177.6-172.6-179.7-17800111.7A4 L5 I6 T11 L12A4-M8 WeakPolarHBondContact O-CB 3.39Å; A4-M8 PolarHBondContact O-N 3.02Å; L5-M8 PolarHBondContact O-N 2.97Å; I6-M8 VanDerWaalsContact C-N 3.31Å; I6-M8 PolarHBondContact O-N 2.93Å; M8-T11 WeakPolarHBondContact CA-OG1 3.49Å; M8-T11 PolarHBondContact O-N 2.75Å; M8-T11 PolarHBondContact O-OG1 2.92Å; M8-L12 HydrophobicContact CE-CD1 4.08Å; M8-L12 HydrophobicContact CG-CD1 3.9Å; M8-L12 HydrophobicContact CG-CG 4.48Å; M8-L12 VanDerWaalsContact O-CB 3.32Å; M8-L12 WeakPolarHBondContact O-CB 3.34Å; M8-L12 VanDerWaalsContact O-CG 3.25Å; M8-L12 WeakPolarHBondContact O-CG 3.28Å; M8-L12 PolarHBondContact O-N 3.31Å
9I97.8Very high96Very high106 Ų106100.7 Ų100.754%0.54454%0.537SS..Hα-helixtrans-63.3-45.1178.2-68.9163.7000110.7L5 I6 T11 L12 L13L5-I9 VanDerWaalsContact O-CG1 3.25Å; L5-I9 WeakPolarHBondContact O-CG1 3.44Å; L5-I9 PolarHBondContact O-N 3.21Å; I6-I9 PolarHBondContact O-N 2.94Å; I9-T11 PolarHBondContact O-N 3Å; I9-L12 PolarHBondContact O-N 3.44Å; I9-L13 WeakPolarHBondContact O-CB 3.2Å; I9-L13 PolarHBondContact O-N 3.23Å
10N98Very high96Very high94 Ų9499.6 Ų99.650%0.50353%0.53SS..Hα-helixtrans-64-43.1-179.7-71.6-17.7000112.4I6 L7 L13 A14I6-N10 PolarHBondContact O-N 2.76Å; I6-N10 PolarHBondContact O-ND2 3.16Å; L7-N10 PolarHBondContact O-N 3.17Å; N10-L13 PolarHBondContact O-N 3.42Å; N10-A14 PolarHBondContact O-N 3.37Å
11T97.8Very high95.9Very high81 Ų8199.5 Ų99.550%0.49753%0.534SS..Hα-helixtrans-67.6-41.2178.249.40000111.7L7 M8 I9 A14 L15L7-T11 WeakPolarHBondContact O-CB 3.39Å; L7-T11 WeakPolarHBondContact O-CG2 3.32Å; L7-T11 PolarHBondContact O-N 3.18Å; L7-T11 PolarHBondContact O-OG1 3.24Å; M8-T11 WeakPolarHBondContact CA-OG1 3.49Å; M8-T11 PolarHBondContact O-N 2.75Å; M8-T11 PolarHBondContact O-OG1 2.92Å; I9-T11 PolarHBondContact O-N 3Å; T11-A14 PolarHBondContact O-N 3.02Å; T11-L15 WeakPolarHBondContact O-CB 3.33Å; T11-L15 WeakPolarHBondContact O-CG 3.16Å; T11-L15 PolarHBondContact O-N 3.04Å
12L98.1Very high96.7Very high93 Ų9396.8 Ų96.849%0.48752%0.517SS..Hα-helixtrans-63.3-40.4174.2-75.8170.1000112.2M8 I9 L15 L16M8-L12 HydrophobicContact CE-CD1 4.08Å; M8-L12 HydrophobicContact CG-CD1 3.9Å; M8-L12 HydrophobicContact CG-CG 4.48Å; M8-L12 VanDerWaalsContact O-CB 3.32Å; M8-L12 WeakPolarHBondContact O-CB 3.34Å; M8-L12 VanDerWaalsContact O-CG 3.25Å; M8-L12 WeakPolarHBondContact O-CG 3.28Å; M8-L12 PolarHBondContact O-N 3.31Å; I9-L12 PolarHBondContact O-N 3.44Å; L12-L15 PolarHBondContact O-N 3.09Å; L12-L16 VanDerWaalsContact O-CB 3.29Å; L12-L16 WeakPolarHBondContact O-CB 3.35Å; L12-L16 PolarHBondContact O-N 3.27Å
13L98Very high96.6Very high98 Ų98100.2 Ų100.251%0.51352%0.521SS..Hα-helixtrans-63.1-45.4176.6-174.370.8000111.3I9 N10 L15 L16 L17I9-L13 WeakPolarHBondContact O-CB 3.2Å; I9-L13 PolarHBondContact O-N 3.23Å; N10-L13 PolarHBondContact O-N 3.42Å; L13-L15 PolarHBondContact O-N 3.09Å; L13-L16 PolarHBondContact O-N 3.42Å; L13-L17 HydrophobicContact CG-CD1 4.47Å; L13-L17 WeakPolarHBondContact O-CG 3.44Å; L13-L17 PolarHBondContact O-N 2.97Å
14A98.1Very high96.4Very high62 Ų62100 Ų10051%0.51253%0.526SS..Hα-helixtrans-61.2-43.1176.800000112N10 T11 L17 M18N10-A14 PolarHBondContact O-N 3.37Å; T11-A14 PolarHBondContact O-N 3.02Å; A14-L17 PolarHBondContact O-N 3.25Å; A14-M18 WeakPolarHBondContact O-CB 3.38Å; A14-M18 PolarHBondContact O-N 3.22Å
15L97.8Very high96.2Very high89 Ų89100.2 Ų100.247%0.46652%0.522SS..Hα-helixtrans-64.1-43.5175.6-75.2167.2000112T11 L12 L13 L17 M18 I19T11-L15 WeakPolarHBondContact O-CB 3.33Å; T11-L15 WeakPolarHBondContact O-CG 3.16Å; T11-L15 PolarHBondContact O-N 3.04Å; L12-L15 PolarHBondContact O-N 3.09Å; L13-L15 PolarHBondContact O-N 3.09Å; L15-L17 PolarHBondContact O-N 3.03Å; L15-M18 HydrophobicContact CD2-CE 3.9Å; L15-M18 PolarHBondContact O-N 2.99Å; L15-I19 VanDerWaalsContact O-CG1 3.29Å; L15-I19 WeakPolarHBondContact O-CG1 3.49Å; L15-I19 PolarHBondContact O-N 3.48Å
16L97.8Very high95.5Very high94 Ų94104.6 Ų104.649%0.49254%0.54SS..Hα-helixtrans-61.5-44.4178.2179.3133.5000111.3L12 L13 M18 I19 I20L12-L16 VanDerWaalsContact O-CB 3.29Å; L12-L16 WeakPolarHBondContact O-CB 3.35Å; L12-L16 PolarHBondContact O-N 3.27Å; L13-L16 PolarHBondContact O-N 3.42Å; L16-M18 VanDerWaalsContact C-N 3.35Å; L16-M18 PolarHBondContact O-N 3.38Å; L16-I19 PolarHBondContact O-N 3.1Å; L16-I20 HydrophobicContact CD2-CD1 3.59Å; L16-I20 HydrophobicContact CG-CD1 4.14Å; L16-I20 VanDerWaalsContact O-CG1 3.31Å; L16-I20 WeakPolarHBondContact O-CG1 3.29Å; L16-I20 PolarHBondContact O-N 3.28Å
17L97.5Very high94.7Very high97 Ų97106 Ų10651%0.50855%0.548SS..Hα-helixtrans-62.6-41.7175.4-70.4173.6000111.7L13 A14 L15 I19 I20 T21L13-L17 HydrophobicContact CG-CD1 4.47Å; L13-L17 WeakPolarHBondContact O-CG 3.44Å; L13-L17 PolarHBondContact O-N 2.97Å; A14-L17 PolarHBondContact O-N 3.25Å; L15-L17 PolarHBondContact O-N 3.03Å; L17-I19 VanDerWaalsContact C-N 3.34Å; L17-I19 PolarHBondContact O-N 3.22Å; L17-I20 PolarHBondContact O-N 3.08Å; L17-T21 WeakPolarHBondContact O-CG2 3.45Å; L17-T21 PolarHBondContact O-N 3.35Å; L17-T21 PolarHBondContact O-OG1 3.01Å
18M96.7Very high93.9Very high111 Ų111105.9 Ų105.955%0.54755%0.548SS..Hα-helixtrans-63.5-38.2176-175.3-117.1-74.400112.5A14 L15 L16 T21 F22A14-M18 WeakPolarHBondContact O-CB 3.38Å; A14-M18 PolarHBondContact O-N 3.22Å; L15-M18 HydrophobicContact CD2-CE 3.9Å; L15-M18 PolarHBondContact O-N 2.99Å; L16-M18 VanDerWaalsContact C-N 3.35Å; L16-M18 PolarHBondContact O-N 3.38Å; M18-T21 WeakPolarHBondContact CA-OG1 3.42Å; M18-T21 PolarHBondContact O-N 2.93Å; M18-T21 PolarHBondContact O-OG1 3.12Å; M18-F22 WeakPolarHBondContact O-CB 3.42Å; M18-F22 PolarHBondContact O-N 3.31Å; M18-F22 VanDerWaalsContact O-N 3.08Å
19I96.3Very high93.2Very high93 Ų93104.4 Ų104.448%0.47756%0.561SS.*Hα-helixtrans-64.8-46.2174.3-68.4163.4000109.8L15 L16 L17 T21 F22 W23L15-I19 VanDerWaalsContact O-CG1 3.29Å; L15-I19 WeakPolarHBondContact O-CG1 3.49Å; L15-I19 PolarHBondContact O-N 3.48Å; L16-I19 PolarHBondContact O-N 3.1Å; L17-I19 VanDerWaalsContact C-N 3.34Å; L17-I19 PolarHBondContact O-N 3.22Å; I19-T21 VanDerWaalsContact C-N 3.33Å; I19-T21 PolarHBondContact O-N 3.44Å; I19-F22 PolarHBondContact O-N 3.27Å; I19-W23 HydrophobicContact CG2-CG 4.45Å; I19-W23 WeakPolarHBondContact O-CB 3.34Å; I19-W23 PolarHBondContact O-N 3.2Å
20I96.4Very high92.6Very high77 Ų77106.3 Ų106.340%0.39556%0.562SS.*Hα-helixtrans-60-45.2178.6-66.8165.3000110.5L16 L17 F22 W23 L24L16-I20 HydrophobicContact CD2-CD1 3.59Å; L16-I20 HydrophobicContact CG-CD1 4.14Å; L16-I20 VanDerWaalsContact O-CG1 3.31Å; L16-I20 WeakPolarHBondContact O-CG1 3.29Å; L16-I20 PolarHBondContact O-N 3.28Å; L17-I20 PolarHBondContact O-N 3.08Å; I20-F22 VanDerWaalsContact C-N 3.3Å; I20-F22 PolarHBondContact O-N 3.02Å; I20-W23 PolarHBondContact O-N 3.47Å; I20-L24 HydrophobicContact CG2-CB 4.24Å; I20-L24 HydrophobicContact CG2-CD2 4.46Å; I20-L24 WeakPolarHBondContact O-CB 3.36Å; I20-L24 PolarHBondContact O-N 3.44Å
21T94.7Very high91.9Very high99 Ų99109.3 Ų109.361%0.60758%0.575SS**Hα-helixtrans-67.6-28.5-179.256.70000113.5L17 M18 I19 P25L17-T21 WeakPolarHBondContact O-CG2 3.45Å; L17-T21 PolarHBondContact O-N 3.35Å; L17-T21 PolarHBondContact O-OG1 3.01Å; M18-T21 WeakPolarHBondContact CA-OG1 3.42Å; M18-T21 PolarHBondContact O-N 2.93Å; M18-T21 PolarHBondContact O-OG1 3.12Å; I19-T21 VanDerWaalsContact C-N 3.33Å; I19-T21 PolarHBondContact O-N 3.44Å; T21-P25 WeakPolarHBondContact O-CD 3.48Å; T21-P25 WeakPolarHBondContact O-CG 3.33Å
22F91.1Very high91.1Very high130 Ų130113.6 Ų113.657%0.5759%0.59SS**Hα-helixtrans-82.1-36.7177.9-165.6-96.6000112.9M18 I19 I20M18-F22 WeakPolarHBondContact O-CB 3.42Å; M18-F22 PolarHBondContact O-N 3.31Å; M18-F22 VanDerWaalsContact O-N 3.08Å; I19-F22 PolarHBondContact O-N 3.27Å; I20-F22 VanDerWaalsContact C-N 3.3Å; I20-F22 PolarHBondContact O-N 3.02Å
23W91.6Very high90.5Very high196 Ų196116.2 Ų116.274%0.74260%0.597SS**Hα-helixtrans-101.3-22.6-169.8-67.888.7000114.9I19 I20I19-W23 HydrophobicContact CG2-CG 4.45Å; I19-W23 WeakPolarHBondContact O-CB 3.34Å; I19-W23 PolarHBondContact O-N 3.2Å; I20-W23 PolarHBondContact O-N 3.47Å
24L92.1Very high90Very high145 Ų145115.7 Ų115.776%0.75961%0.607SS**SBendtrans-74.8-40.3178.8-163.492.8000113.5I20I20-L24 HydrophobicContact CG2-CB 4.24Å; I20-L24 HydrophobicContact CG2-CD2 4.46Å; I20-L24 WeakPolarHBondContact O-CB 3.36Å; I20-L24 PolarHBondContact O-N 3.44Å
25P90.4Very high89.6Confident66 Ų66115.8 Ų115.843%0.42960%0.601SS.*SBendtrans-72.7147.1-178.1-18.333.4000112.9T21 L27T21-P25 WeakPolarHBondContact O-CD 3.48Å; T21-P25 WeakPolarHBondContact O-CG 3.33Å; P25-L27 PolarHBondContact O-N 2.99Å
26Q82.9Confident89.1Confident175 Ų175116 Ų11682%0.81861%0.608SS**  trans-77.4105.3171.4-166.7172.7-0.100110.1N28Q26-N28 PolarHBondContact O-N 2.9Å
27L80.3Confident88.7Confident124 Ų124120 Ų12065%0.64962%0.618SS**  trans-85102.4-177.7-63.3171.7000110.9P25P25-L27 PolarHBondContact O-N 2.99Å
28N81.3Confident88.3Confident83 Ų83120.1 Ų120.144%0.44462%0.616SS.*  trans-97.595.7166.8-72.2-13.9000109.3Q26 Y30Q26-N28 PolarHBondContact O-N 2.9Å; N28-Y30 HydrophobicContact CB-CD2 4.42Å; N28-Y30 HydrophobicContact CB-CE2 3.8Å; N28-Y30 PolarHBondContact O-N 3.32Å
29G81.8Confident87.8Confident80 Ų80120.7 Ų120.783%0.82563%0.629SS**  trans-79.7103.9-179.600000112.2
30Y86.3Confident87.3Confident145 Ų145119.2 Ų119.257%0.56964%0.637SS**  trans-109.2147.8167.5-58.6-75.1000108.8N28 E32 K33 X34N28-Y30 HydrophobicContact CB-CD2 4.42Å; N28-Y30 HydrophobicContact CB-CE2 3.8Å; N28-Y30 PolarHBondContact O-N 3.32Å; Y30-E32 VanDerWaalsContact C-N 3.26Å; Y30-E32 PolarHBondContact O-N 3.49Å; Y30-K33 HydrophobicContact CD2-CD 4.07Å; Y30-K33 PolarHBondContact O-N 3Å; Y30-A34 PolarHBondContact O-N 2.97Å
31M82.6Confident86.9Confident158 Ų158123 Ų12378%0.77865%0.651SS**Hα-helixtrans-54.1-42.5-179.3-72.6-63.2-65.300112.2K33 X34 T35M31-K33 VanDerWaalsContact C-N 3.27Å; M31-K33 PolarHBondContact O-N 2.84Å; M31-A34 CarbonylContact O-C 3.49Å; M31-A34 PolarHBondContact O-N 2.96Å; M31-T35 WeakPolarHBondContact O-CG2 3.47Å; M31-T35 PolarHBondContact O-N 3.43Å
32E82.4Confident86.6Confident170 Ų170124.4 Ų124.479%0.79466%0.655SS**Hα-helixtrans-65-25.6179-63.6-179.1179.900114.1Y30 X34 T35Y30-E32 VanDerWaalsContact C-N 3.26Å; Y30-E32 PolarHBondContact O-N 3.49Å; E32-A34 VanDerWaalsContact C-N 3.31Å; E32-T35 WeakPolarHBondContact CA-OG1 3.22Å; E32-T35 PolarHBondContact O-OG1 3.28Å
33K84.8Confident86.5Confident149 Ų149121 Ų12165%0.64865%0.646SS**Hα-helixtrans-78.7-19.5173.5-69.4-173.8-179.9178.20112.5Y30 M31Y30-K33 HydrophobicContact CD2-CD 4.07Å; Y30-K33 PolarHBondContact O-N 3Å; M31-K33 VanDerWaalsContact C-N 3.27Å; M31-K33 PolarHBondContact O-N 2.84Å
34X87.7Confident86.2Confident86 Ų86120.2 Ų120.271%0.71165%0.652SS**Hα-helixtrans-97.8-12.8-179.200000112.6Y30 M31 E32Y30-A34 PolarHBondContact O-N 2.97Å; M31-A34 CarbonylContact O-C 3.49Å; M31-A34 PolarHBondContact O-N 2.96Å; E32-A34 VanDerWaalsContact C-N 3.31Å
35T88.7Confident85.8Confident64 Ų64116.4 Ų116.439%0.39364%0.638SS.*SBendtrans-78.6141.4176.244.50000111.7M31 E32M31-T35 WeakPolarHBondContact O-CG2 3.47Å; M31-T35 PolarHBondContact O-N 3.43Å; E32-T35 WeakPolarHBondContact CA-OG1 3.22Å; E32-T35 PolarHBondContact O-OG1 3.28Å
36P88.8Confident85.4Confident93 Ų93118.1 Ų118.160%0.60465%0.649SS**  trans-65.7146.7172.429.9-34.6000110.2P43P36-P43 HydrophobicContact CG-CG 4.24Å; P36-P43 WeakPolarHBondContact O-CD 3.32Å
37Y87.6Confident85.4Confident180 Ų180114.8 Ų114.871%0.70665%0.651SS**  trans-136.1148176.261.8-90.5000110.7F41Y37-F41 CarbonylContact C-O 3.58Å; Y37-F41 VanDerWaalsContact CA-O 3.25Å; Y37-F41 WeakPolarHBondContact CA-O 3.25Å
38E89.5Confident85.5Confident99 Ų99120.3 Ų120.346%0.46366%0.663SS.*BIsolated β-bridgetrans-116.6105.2176.3-170.2172.3-173.100107.9G40 F41 M44E38-G40 PolarHBondContact O-N 3.01Å; E38-G40 VanDerWaalsContact O-N 3.13Å; E38-F41 PolarHBondContact N-O 3.33Å; E38-F41 PolarHBondContact O-N 3.46Å; E38-M44 PolarHBondContact OE2-N 3.46Å
39C86.8Confident85.4Confident123 Ų123121 Ų12183%0.83167%0.67SS**THydrogen-bonded Turntrans55.830.3-178.1-60.20000114.8F41C39-F41 WeakPolarHBondContact O-CD2 3.45Å
40G86.6Confident85.4Confident62 Ų62123.3 Ų123.364%0.63967%0.671SS**THydrogen-bonded Turntrans89.45.6-17900000114.5E38E38-G40 PolarHBondContact O-N 3.01Å; E38-G40 VanDerWaalsContact O-N 3.13Å
41F87.6Confident85.1Confident156 Ų156123.4 Ų123.468%0.68468%0.675SS**BIsolated β-bridgetrans-114.7166175.6-59.7-84.3000111.2Y37 E38 C39Y37-F41 CarbonylContact C-O 3.58Å; Y37-F41 VanDerWaalsContact CA-O 3.25Å; Y37-F41 WeakPolarHBondContact CA-O 3.25Å; E38-F41 PolarHBondContact N-O 3.33Å; E38-F41 PolarHBondContact O-N 3.46Å; C39-F41 WeakPolarHBondContact O-CD2 3.45Å
42D88.9Confident85.1Confident129 Ų129118.2 Ų118.269%0.6965%0.654SS**  trans-62.8142168.9-68.3-36.7000110.2M44D42-M44 PolarHBondContact O-N 3.01Å
43P88.6Confident85.1Confident59 Ų59116.5 Ų116.538%0.38365%0.648SS.*  trans-61.7130.4-176.625.7-34.7000111P36 S45P36-P43 HydrophobicContact CG-CG 4.24Å; P36-P43 WeakPolarHBondContact O-CD 3.32Å; P43-S45 VanDerWaalsContact C-N 3.29Å; P43-S45 PolarHBondContact O-N 2.89Å
44M84.3Confident85.1Confident178 Ų178114 Ų11488%0.87764%0.637SS**SBendtrans-73.8-23.7-178.1-69.9-65.9-144.900112.9E38 D42E38-M44 PolarHBondContact OE2-N 3.46Å; D42-M44 PolarHBondContact O-N 3.01Å
45S83.5Confident84.9Confident66 Ų66115.3 Ų115.346%0.46263%0.627SS.*SBendtrans-145.3156.8179.169.10000110.1P43 A47P43-S45 VanDerWaalsContact C-N 3.29Å; P43-S45 PolarHBondContact O-N 2.89Å; S45-A47 PolarHBondContact O-N 3.25Å
46P83.5Confident84.9Confident101 Ų101117.1 Ų117.166%0.65663%0.629SS**  trans-61.8138.8173.126.5-34.5000110.5R48P46-R48 PolarHBondContact O-N 3.47Å
47A81.6Confident84.9Confident106 Ų106116.7 Ų116.788%0.87662%0.621SS**SBendtrans-60.3-16.6178.900000114.3S45 V49S45-A47 PolarHBondContact O-N 3.25Å; A47-V49 PolarHBondContact O-N 3.27Å
48R82.2Confident85Confident239 Ų239110.7 Ų110.790%0.90260%0.604SS**  trans-91.585.9174.8-65.2-172.7-176.4-174.42109.7P46P46-R48 PolarHBondContact O-N 3.47Å
49V80.6Confident85.1Confident97 Ų97108.6 Ų108.659%0.58860%0.603SS**PPolyproline II helixtrans-92.8155173.4-68.70000111.1A47 F51A47-V49 PolarHBondContact O-N 3.27Å; V49-F51 PolarHBondContact O-N 2.92Å
50P81.6Confident85.4Confident129 Ų129106 Ų10684%0.83858%0.58SS**PPolyproline II helixtrans-56130172.123.4-33.4000110.3
51F78.4Confident85.7Confident147 Ų147104.3 Ų104.365%0.64556%0.557SS**PPolyproline II helixtrans-78.2146.7-176.3-173.5-109.8000111.3V49 F55 F56V49-F51 PolarHBondContact O-N 2.92Å; F51-F55 HydrophobicContact CE1-CB 3.45Å; F51-F55 VanDerWaalsContact CE1-CB 3.45Å; F51-F55 HydrophobicContact CE2-CB 4.02Å; F51-F55 AromaticContact CE2-CD2 3.96Å; F51-F55 HydrophobicContact CE2-CD2 3.96Å; F51-F55 HydrophobicContact CE2-CG 4.34Å; F51-F55 HydrophobicContact CZ-CB 3.16Å; F51-F55 AromaticContact CZ-CD2 3.97Å; F51-F55 HydrophobicContact CZ-CD2 3.97Å; F51-F55 AromaticContact CZ-CG 3.92Å; F51-F55 HydrophobicContact CZ-CG 3.92Å; F51-F56 HydrophobicContact CE1-CB 4.3Å
52S83.4Confident86Confident49 Ų49103.5 Ų103.534%0.34355%0.554SS.*PPolyproline II helixtrans-73.2132.7178.489.40000110.6K54 F55S52-K54 PolarHBondContact O-N 3.41Å; S52-F55 PolarHBondContact O-N 2.89Å; S52-F55 WeakPolarHBondContact OG-CD2 3.34Å; S52-F55 WeakPolarHBondContact OG-CE2 3.48Å
53M83.3Confident86.3Confident135 Ų135102.7 Ų102.767%0.66555%0.549SS*.Hα-helixtrans-63.7-21.7177.5-70.3-62.8-71.700112.7F56 L57M53-F56 HydrophobicContact CE-CD1 4.14Å; M53-F56 WeakPolarHBondContact O-CB 3.49Å; M53-F56 PolarHBondContact O-N 3.45Å; M53-L57 PolarHBondContact O-N 3.27Å
54K83.5Confident86.6Confident96 Ų96104.4 Ų104.442%0.41755%0.554SS.*Hα-helixtrans-63.9-46.1178.1-64.8-176-178.4178.70111.6S52 F56 L57 V58 A114S52-K54 PolarHBondContact O-N 3.41Å; K54-F56 PolarHBondContact O-N 2.87Å; K54-L57 PolarHBondContact O-N 3.03Å; K54-V58 WeakPolarHBondContact O-CG2 3.32Å; K54-V58 PolarHBondContact O-N 3.49Å; K54-V58 VanDerWaalsContact O-N 3.12Å; K54-A114 PolarHBondContact NZ-O 3.13Å; K54-A114 VanDerWaalsContact NZ-O 3.08Å
55F84Confident87.1Confident114 Ų11497.8 Ų97.850%0.552%0.52SS..Hα-helixtrans-65.3-30.3176.5-68.2-55.1000112.3F51 S52 A59F51-F55 HydrophobicContact CE1-CB 3.45Å; F51-F55 VanDerWaalsContact CE1-CB 3.45Å; F51-F55 HydrophobicContact CE2-CB 4.02Å; F51-F55 AromaticContact CE2-CD2 3.96Å; F51-F55 HydrophobicContact CE2-CD2 3.96Å; F51-F55 HydrophobicContact CE2-CG 4.34Å; F51-F55 HydrophobicContact CZ-CB 3.16Å; F51-F55 AromaticContact CZ-CD2 3.97Å; F51-F55 HydrophobicContact CZ-CD2 3.97Å; F51-F55 AromaticContact CZ-CG 3.92Å; F51-F55 HydrophobicContact CZ-CG 3.92Å; S52-F55 PolarHBondContact O-N 2.89Å; S52-F55 WeakPolarHBondContact OG-CD2 3.34Å; S52-F55 WeakPolarHBondContact OG-CE2 3.48Å; F55-A59 PolarHBondContact O-N 3.41Å; F55-A59 VanDerWaalsContact O-N 3.07Å
56F87.6Confident87.7Confident101 Ų10198.9 Ų98.944%0.44352%0.521SS..Hα-helixtrans-66.9-41.7174.1176.7-104.9000112.1F51 M53 K54 A59 I60F51-F56 HydrophobicContact CE1-CB 4.3Å; M53-F56 HydrophobicContact CE-CD1 4.14Å; M53-F56 WeakPolarHBondContact O-CB 3.49Å; M53-F56 PolarHBondContact O-N 3.45Å; K54-F56 PolarHBondContact O-N 2.87Å; F56-A59 WeakPolarHBondContact O-CB 3.25Å; F56-A59 PolarHBondContact O-N 3.23Å; F56-I60 HydrophobicContact CD1-CD1 3.96Å; F56-I60 HydrophobicContact CE1-CD1 3.33Å; F56-I60 HydrophobicContact CE1-CG1 4.35Å; F56-I60 HydrophobicContact CE2-CD1 4.25Å; F56-I60 HydrophobicContact CZ-CD1 3.52Å; F56-I60 HydrophobicContact CZ-CG1 4.23Å; F56-I60 PolarHBondContact O-N 3.48Å; F56-I60 VanDerWaalsContact O-N 3.12Å
57L88.8Confident88.4Confident84 Ų8499 Ų9944%0.4452%0.516SS..Hα-helixtrans-61.1-44.9175-71171.3000111.6M53 K54 A59 I60 T61M53-L57 PolarHBondContact O-N 3.27Å; K54-L57 PolarHBondContact O-N 3.03Å; L57-A59 VanDerWaalsContact C-N 3.27Å; L57-A59 PolarHBondContact O-N 2.88Å; L57-I60 PolarHBondContact O-N 3.23Å; L57-I60 VanDerWaalsContact O-N 3.15Å; L57-T61 WeakPolarHBondContact O-CG2 3.12Å; L57-T61 PolarHBondContact O-N 3.3Å; L57-T61 PolarHBondContact O-OG1 3.38Å
58V90.2Very high89Confident55 Ų5595.8 Ų95.833%0.33348%0.483SS..Hα-helixtrans-59.5-38.2175.4175.60000111.8K54 T61 F62K54-V58 WeakPolarHBondContact O-CG2 3.32Å; K54-V58 PolarHBondContact O-N 3.49Å; K54-V58 VanDerWaalsContact O-N 3.12Å; V58-T61 PolarHBondContact O-N 2.85Å; V58-T61 PolarHBondContact O-OG1 3.39Å; V58-F62 VanDerWaalsContact O-CB 3.29Å; V58-F62 WeakPolarHBondContact O-CB 3.47Å; V58-F62 PolarHBondContact O-N 3.41Å
59A92Very high89.6Confident54 Ų5488.9 Ų88.945%0.44646%0.463SS..Hα-helixtrans-66.2-37.9177.500000112.5F55 F56 L57 L63F55-A59 PolarHBondContact O-N 3.41Å; F55-A59 VanDerWaalsContact O-N 3.07Å; F56-A59 WeakPolarHBondContact O-CB 3.25Å; F56-A59 PolarHBondContact O-N 3.23Å; L57-A59 VanDerWaalsContact C-N 3.27Å; L57-A59 PolarHBondContact O-N 2.88Å; A59-L63 WeakPolarHBondContact O-CB 3.19Å; A59-L63 PolarHBondContact O-N 3.23Å; A59-L63 VanDerWaalsContact O-N 3.07Å
60I93Very high90.4Very high70 Ų7087 Ų8736%0.35946%0.458SS..Hα-helixtrans-67-44.4175.3-68.6171.9000110.5F56 L57 F62 L63 L64F56-I60 HydrophobicContact CD1-CD1 3.96Å; F56-I60 HydrophobicContact CE1-CD1 3.33Å; F56-I60 HydrophobicContact CE1-CG1 4.35Å; F56-I60 HydrophobicContact CE2-CD1 4.25Å; F56-I60 HydrophobicContact CZ-CD1 3.52Å; F56-I60 HydrophobicContact CZ-CG1 4.23Å; F56-I60 PolarHBondContact O-N 3.48Å; F56-I60 VanDerWaalsContact O-N 3.12Å; L57-I60 PolarHBondContact O-N 3.23Å; L57-I60 VanDerWaalsContact O-N 3.15Å; I60-F62 VanDerWaalsContact C-N 3.35Å; I60-L63 WeakPolarHBondContact O-CB 3.26Å; I60-L63 PolarHBondContact O-N 2.9Å; I60-L63 VanDerWaalsContact O-N 3.14Å; I60-L64 HydrophobicContact CG2-CD1 4.23Å; I60-L64 WeakPolarHBondContact O-CG 3.47Å; I60-L64 PolarHBondContact O-N 3.5Å
61T92.6Very high91Very high25 Ų2585.7 Ų85.715%0.15344%0.443CS..Hα-helixtrans-70.9-34.8-177.1590000111.7L57 V58 L63 L64 F65 E105L57-T61 WeakPolarHBondContact O-CG2 3.12Å; L57-T61 PolarHBondContact O-N 3.3Å; L57-T61 PolarHBondContact O-OG1 3.38Å; V58-T61 PolarHBondContact O-N 2.85Å; V58-T61 PolarHBondContact O-OG1 3.39Å; T61-L63 PolarHBondContact O-N 3.38Å; T61-L64 PolarHBondContact O-N 3.03Å; T61-F65 WeakPolarHBondContact O-CD2 3.29Å; T61-F65 WeakPolarHBondContact O-CG 3.43Å; T61-F65 PolarHBondContact O-N 2.89Å; T61-E105 VanDerWaalsContact CB-OE1 3.32Å; T61-E105 WeakPolarHBondContact CB-OE1 3.16Å; T61-E105 VanDerWaalsContact CB-OE2 3.3Å; T61-E105 WeakPolarHBondContact CB-OE2 3.4Å; T61-E105 HydrophobicContact CG2-CG 4.35Å; T61-E105 WeakPolarHBondContact CG2-OE1 3.36Å; T61-E105 VanDerWaalsContact CG2-OE2 3.28Å; T61-E105 WeakPolarHBondContact CG2-OE2 3.25Å; T61-E105 PolarHBondContact OG1-OE1 3.25Å
62F94.1Very high91.8Very high139 Ų13980.4 Ų80.461%0.6142%0.421SS*.Hα-helixtrans-55.9-47.9165.3172.7-102.1000112.5V58 I60 L64 F65 D66V58-F62 VanDerWaalsContact O-CB 3.29Å; V58-F62 WeakPolarHBondContact O-CB 3.47Å; V58-F62 PolarHBondContact O-N 3.41Å; I60-F62 VanDerWaalsContact C-N 3.35Å; F62-L64 VanDerWaalsContact C-N 3.35Å; F62-L64 PolarHBondContact O-N 3.42Å; F62-F65 PolarHBondContact O-N 2.98Å; F62-D66 WeakPolarHBondContact O-CB 3.35Å; F62-D66 PolarHBondContact O-N 3.44Å
63L95.4Very high92.5Very high113 Ų11383.5 Ų83.559%0.59243%0.433SS*.Hα-helixtrans-62.8-40.4-179.5-178.1148.4000112.4A59 I60 T61 L67A59-L63 WeakPolarHBondContact O-CB 3.19Å; A59-L63 PolarHBondContact O-N 3.23Å; A59-L63 VanDerWaalsContact O-N 3.07Å; I60-L63 WeakPolarHBondContact O-CB 3.26Å; I60-L63 PolarHBondContact O-N 2.9Å; I60-L63 VanDerWaalsContact O-N 3.14Å; T61-L63 PolarHBondContact O-N 3.38Å; L63-L67 PolarHBondContact O-N 3.14Å
64L94.9Very high93Very high94 Ų9479.9 Ų79.949%0.49242%0.42SS..Hα-helixtrans-66.5-45.5176.7-68.5175.4000111.5I60 T61 F62 D66 L67 E68I60-L64 HydrophobicContact CG2-CD1 4.23Å; I60-L64 WeakPolarHBondContact O-CG 3.47Å; I60-L64 PolarHBondContact O-N 3.5Å; T61-L64 PolarHBondContact O-N 3.03Å; F62-L64 VanDerWaalsContact C-N 3.35Å; F62-L64 PolarHBondContact O-N 3.42Å; L64-D66 VanDerWaalsContact C-N 3.33Å; L64-D66 PolarHBondContact O-N 3.39Å; L64-L67 WeakPolarHBondContact O-CB 3.48Å; L64-L67 PolarHBondContact O-N 3.07Å; L64-E68 PolarHBondContact O-N 3.11Å; L64-E68 VanDerWaalsContact O-N 3.13Å
65F95.1Very high93.5Very high39 Ų3977.7 Ų77.717%0.17141%0.413CS..Hα-helixtrans-65.8-34177.3-69.7-40.5000112.9T61 F62 L67 E68 I69 L98 S101 L102T61-F65 WeakPolarHBondContact O-CD2 3.29Å; T61-F65 WeakPolarHBondContact O-CG 3.43Å; T61-F65 PolarHBondContact O-N 2.89Å; F62-F65 PolarHBondContact O-N 2.98Å; F65-L67 VanDerWaalsContact C-N 3.32Å; F65-L67 PolarHBondContact O-N 3.48Å; F65-E68 PolarHBondContact O-N 2.86Å; F65-I69 WeakPolarHBondContact O-CB 3.47Å; F65-I69 VanDerWaalsContact O-CG1 3.25Å; F65-I69 WeakPolarHBondContact O-CG1 3.44Å; F65-I69 PolarHBondContact O-N 3Å; F65-L98 HydrophobicContact CD1-CG 4.07Å; F65-L98 HydrophobicContact CE1-CD2 4.46Å; F65-L98 HydrophobicContact CE1-CG 4.21Å; F65-S101 WeakPolarHBondContact CE1-OG 3.42Å; F65-L102 HydrophobicContact CE1-CB 4.41Å; F65-L102 HydrophobicContact CE2-CD1 3.86Å; F65-L102 HydrophobicContact CZ-CB 3.82Å; F65-L102 HydrophobicContact CZ-CD1 3.82Å; F65-L102 HydrophobicContact CZ-CG 4.43Å
66D96.6Very high93.9Very high90 Ų9076.4 Ų76.448%0.48142%0.415SS..Hα-helixtrans-63.5-38.9175.5-166.335.6000111.5F62 L64 I69 A70F62-D66 WeakPolarHBondContact O-CB 3.35Å; F62-D66 PolarHBondContact O-N 3.44Å; L64-D66 VanDerWaalsContact C-N 3.33Å; L64-D66 PolarHBondContact O-N 3.39Å; D66-I69 PolarHBondContact O-N 2.99Å; D66-A70 WeakPolarHBondContact O-CB 3.29Å; D66-A70 PolarHBondContact O-N 3.41Å
67L96.3Very high94.3Very high102 Ų10280.3 Ų80.353%0.53443%0.427SS..Hα-helixtrans-62.8-46.2173.2-168.6164000111.3L63 L64 F65 I69 A70 L71L63-L67 PolarHBondContact O-N 3.14Å; L64-L67 WeakPolarHBondContact O-CB 3.48Å; L64-L67 PolarHBondContact O-N 3.07Å; F65-L67 VanDerWaalsContact C-N 3.32Å; F65-L67 PolarHBondContact O-N 3.48Å; L67-I69 VanDerWaalsContact C-N 3.35Å; L67-I69 PolarHBondContact O-N 3.35Å; L67-A70 WeakPolarHBondContact O-CB 3.36Å; L67-A70 PolarHBondContact O-N 2.9Å; L67-L71 HydrophobicContact CD2-CD1 3.81Å; L67-L71 HydrophobicContact CD2-CG 4.2Å; L67-L71 PolarHBondContact O-N 2.98Å; L67-L71 VanDerWaalsContact O-N 3.1Å
68E94.6Very high94.5Very high40 Ų4077.6 Ų77.619%0.18742%0.417CS..Hα-helixtrans-65.1-37.4178.6-66.8-177.8176.100112.3L64 F65 L71 L72 L98L64-E68 PolarHBondContact O-N 3.11Å; L64-E68 VanDerWaalsContact O-N 3.13Å; F65-E68 PolarHBondContact O-N 2.86Å; E68-L71 WeakPolarHBondContact O-CB 3.48Å; E68-L71 PolarHBondContact O-N 3.45Å; E68-L72 PolarHBondContact O-N 2.9Å; E68-L72 VanDerWaalsContact O-N 3.12Å; E68-L98 HydrophobicContact CB-CD1 3.98Å; E68-L98 WeakPolarHBondContact OE2-CA 3.48Å; E68-L98 VanDerWaalsContact OE2-CB 3.26Å; E68-L98 WeakPolarHBondContact OE2-CB 3.49Å; E68-L98 WeakPolarHBondContact OE2-CD1 3.49Å; E68-L98 WeakPolarHBondContact OE2-CG 3.46Å
69I95.9Very high94.6Very high93 Ų9380.2 Ų80.248%0.47743%0.429SS..Hα-helixtrans-64.7-40.5173.1-70164.1000110.8F65 D66 L67 L71 L72 L73F65-I69 WeakPolarHBondContact O-CB 3.47Å; F65-I69 VanDerWaalsContact O-CG1 3.25Å; F65-I69 WeakPolarHBondContact O-CG1 3.44Å; F65-I69 PolarHBondContact O-N 3Å; D66-I69 PolarHBondContact O-N 2.99Å; L67-I69 VanDerWaalsContact C-N 3.35Å; L67-I69 PolarHBondContact O-N 3.35Å; I69-L71 PolarHBondContact O-N 3.46Å; I69-L72 CarbonylContact O-C 3.59Å; I69-L72 PolarHBondContact O-N 3.38Å; I69-L73 PolarHBondContact O-N 2.96Å
70A96.9Very high94.6Very high59 Ų5985.5 Ų85.549%0.48844%0.444SS..Hα-helixtrans-60.1-34.4174.800000112D66 L67 P74D66-A70 WeakPolarHBondContact O-CB 3.29Å; D66-A70 PolarHBondContact O-N 3.41Å; L67-A70 WeakPolarHBondContact O-CB 3.36Å; L67-A70 PolarHBondContact O-N 2.9Å; A70-P74 WeakPolarHBondContact O-CD 3.29Å
71L95Very high94.6Very high100 Ų10085.3 Ų85.352%0.52445%0.446SS..Hα-helixtrans-70.7-28.6172.9-66.6173.3000113.3L67 E68 I69 P74 L94L67-L71 HydrophobicContact CD2-CD1 3.81Å; L67-L71 HydrophobicContact CD2-CG 4.2Å; L67-L71 PolarHBondContact O-N 2.98Å; L67-L71 VanDerWaalsContact O-N 3.1Å; E68-L71 WeakPolarHBondContact O-CB 3.48Å; E68-L71 PolarHBondContact O-N 3.45Å; I69-L71 PolarHBondContact O-N 3.46Å; L71-P74 WeakPolarHBondContact O-CD 3.48Å; L71-L94 HydrophobicContact CB-CD1 3.97Å; L71-L94 HydrophobicContact CD1-CD1 4.3Å
72L95.4Very high94.6Very high36 Ų3690.7 Ų90.719%0.18848%0.479CS..Hα-helixtrans-81.6-23.5175.4-69.3171.2000113.5E68 I69 P74 L75 L94 I95 L98E68-L72 PolarHBondContact O-N 2.9Å; E68-L72 VanDerWaalsContact O-N 3.12Å; I69-L72 CarbonylContact O-C 3.59Å; I69-L72 PolarHBondContact O-N 3.38Å; L72-P74 VanDerWaalsContact C-CD 3.43Å; L72-L75 HydrophobicContact CB-CD1 4.22Å; L72-L75 HydrophobicContact CD2-CD1 3.63Å; L72-L75 HydrophobicContact CD2-CG 4.46Å; L72-L75 VanDerWaalsContact O-CB 3.29Å; L72-L75 WeakPolarHBondContact O-CB 3.21Å; L72-L75 WeakPolarHBondContact O-CD1 3.49Å; L72-L75 WeakPolarHBondContact O-CG 3.48Å; L72-L75 PolarHBondContact O-N 2.93Å; L72-L75 VanDerWaalsContact O-N 3.09Å; L72-L94 HydrophobicContact CD1-CD2 4.13Å; L72-L94 HydrophobicContact CD2-CB 4.5Å; L72-L94 HydrophobicContact CD2-CD2 3.75Å; L72-L94 HydrophobicContact CG-CD2 3.74Å; L72-I95 HydrophobicContact CD1-CG1 4.39Å; L72-I95 HydrophobicContact CD2-CG1 4.01Å; L72-L98 HydrophobicContact CD1-CD1 4.38Å
73L96.4Very high94.5Very high114 Ų11488.9 Ų88.960%0.59748%0.476SS*.THydrogen-bonded Turntrans-52.7-40.3-178.9-162.2152.3000114.9I69 L75 P76 W77I69-L73 PolarHBondContact O-N 2.96Å; L73-L75 PolarHBondContact O-N 3.29Å; L73-P76 WeakPolarHBondContact O-CD 3.43Å; L73-W77 HydrophobicContact CD2-CZ3 4.37Å
74P94.2Very high94.5Very high60 Ų6087.5 Ų87.539%0.3947%0.469SS..THydrogen-bonded Turntrans-75.30.8179.729.7-36.8000115.2A70 L71 L72 P76 W77 A78A70-P74 WeakPolarHBondContact O-CD 3.29Å; L71-P74 WeakPolarHBondContact O-CD 3.48Å; L72-P74 VanDerWaalsContact C-CD 3.43Å; P74-P76 VanDerWaalsContact C-CD 3.44Å; P74-W77 HydrophobicContact CB-CE3 4.12Å; P74-W77 PolarHBondContact O-N 2.89Å; P74-W77 VanDerWaalsContact O-N 3.09Å; P74-A78 PolarHBondContact O-N 3.02Å
75L94.1Very high94.4Very high50 Ų5087.7 Ų87.726%0.26248%0.476SS..Hα-helixtrans-54.4-40.5-178.7-74.4176.4000115.1L72 L73 W77 A78 L79 M87 S91L72-L75 HydrophobicContact CB-CD1 4.22Å; L72-L75 HydrophobicContact CD2-CD1 3.63Å; L72-L75 HydrophobicContact CD2-CG 4.46Å; L72-L75 VanDerWaalsContact O-CB 3.29Å; L72-L75 WeakPolarHBondContact O-CB 3.21Å; L72-L75 WeakPolarHBondContact O-CD1 3.49Å; L72-L75 WeakPolarHBondContact O-CG 3.48Å; L72-L75 PolarHBondContact O-N 2.93Å; L72-L75 VanDerWaalsContact O-N 3.09Å; L73-L75 PolarHBondContact O-N 3.29Å; L75-W77 PolarHBondContact O-N 3.48Å; L75-A78 WeakPolarHBondContact O-CB 3.3Å; L75-A78 PolarHBondContact O-N 3.48Å; L75-A78 VanDerWaalsContact O-N 3.08Å; L75-L79 PolarHBondContact O-N 2.98Å; L75-M87 HydrophobicContact CD2-SD 4.4Å; L75-S91 VanDerWaalsContact CD2-CB 3.45Å
76P93.8Very high94.4Very high86 Ų8691.5 Ų91.556%0.55850%0.497SS*.Hα-helixtrans-59.3-34.8177.4-25.436.3000113.2L73 P74L73-P76 WeakPolarHBondContact O-CD 3.43Å; P74-P76 VanDerWaalsContact C-CD 3.44Å
77W94Very high94.3Very high183 Ų18388.2 Ų88.269%0.69348%0.479SS*.Hα-helixtrans-77.9-34.8174.8-60.5-47.5000111.8L73 P74 L75 L79 Q80L73-W77 HydrophobicContact CD2-CZ3 4.37Å; P74-W77 HydrophobicContact CB-CE3 4.12Å; P74-W77 PolarHBondContact O-N 2.89Å; P74-W77 VanDerWaalsContact O-N 3.09Å; L75-W77 PolarHBondContact O-N 3.48Å; W77-L79 PolarHBondContact O-N 3.49Å; W77-Q80 PolarHBondContact O-N 3.23Å; W77-Q80 VanDerWaalsContact O-N 3.1Å
78A93.1Very high94.2Very high27 Ų2786.2 Ų86.222%0.22347%0.471CS..Hα-helixtrans-63.2-21.6177.900000113.3P74 L75 Q80 T81 M87P74-A78 PolarHBondContact O-N 3.02Å; L75-A78 WeakPolarHBondContact O-CB 3.3Å; L75-A78 PolarHBondContact O-N 3.48Å; L75-A78 VanDerWaalsContact O-N 3.08Å; A78-Q80 PolarHBondContact O-N 3.48Å; A78-T81 WeakPolarHBondContact O-CB 3.31Å; A78-T81 VanDerWaalsContact O-CG2 3.22Å; A78-T81 WeakPolarHBondContact O-CG2 3.4Å; A78-T81 PolarHBondContact O-N 2.95Å; A78-T81 VanDerWaalsContact O-N 3.16Å; A78-T81 PolarHBondContact O-OG1 3.32Å; A78-M87 HydrophobicContact CB-CE 4.41Å; A78-M87 HydrophobicContact CB-CG 3.8Å; A78-M87 HydrophobicContact CB-SD 4.34Å; A78-M87 WeakPolarHBondContact O-CE 3.29Å
79L92.6Very high94.3Very high110 Ų11090.1 Ų90.158%0.57649%0.491SS*.THydrogen-bonded Turntrans-61.8-17.5172.9-72166.5000114L75 W77 T81 L84 M87L75-L79 PolarHBondContact O-N 2.98Å; W77-L79 PolarHBondContact O-N 3.49Å; L79-T81 VanDerWaalsContact C-N 3.32Å; L79-L84 WeakPolarHBondContact O-CD2 3.49Å; L79-M87 VanDerWaalsContact CA-CE 3.41Å; L79-M87 HydrophobicContact CB-CE 4.21Å; L79-M87 HydrophobicContact CD2-CE 3.49Å; L79-M87 VanDerWaalsContact CD2-CE 3.49Å; L79-M87 HydrophobicContact CG-CE 3.88Å
80Q92.6Very high94.2Very high165 Ų16588.9 Ų88.977%0.77149%0.491SS*.THydrogen-bonded Turntrans-89.62.9178.8-60.6175.75.200113W77 A78W77-Q80 PolarHBondContact O-N 3.23Å; W77-Q80 VanDerWaalsContact O-N 3.1Å; A78-Q80 PolarHBondContact O-N 3.48Å
81T93.4Very high94.1Very high66 Ų6687 Ų8741%0.40547%0.473SS..SBendtrans-73.1152.9-178.658.50000112.5A78 L79 N83A78-T81 WeakPolarHBondContact O-CB 3.31Å; A78-T81 VanDerWaalsContact O-CG2 3.22Å; A78-T81 WeakPolarHBondContact O-CG2 3.4Å; A78-T81 PolarHBondContact O-N 2.95Å; A78-T81 VanDerWaalsContact O-N 3.16Å; A78-T81 PolarHBondContact O-OG1 3.32Å; L79-T81 VanDerWaalsContact C-N 3.32Å; T81-N83 VanDerWaalsContact C-N 3.31Å; T81-N83 PolarHBondContact O-N 3.15Å
82T91.2Very high94.1Very high138 Ų13886.1 Ų86.185%0.84747%0.469SS*.SBendtrans-67.9-31.7178.754.10000112.6L84T82-L84 PolarHBondContact O-N 3.48Å
83N93.8Very high94.1Very high101 Ų10189.5 Ų89.554%0.5449%0.487SS..  trans-101.865.1-178.9-70.7-33000111.7T81 P85 L86 M87T81-N83 VanDerWaalsContact C-N 3.31Å; T81-N83 PolarHBondContact O-N 3.15Å; N83-P85 VanDerWaalsContact C-CD 3.44Å; N83-L86 HydrophobicContact CB-CB 4.22Å; N83-L86 PolarHBondContact O-N 3.34Å; N83-M87 PolarHBondContact O-N 3.07Å
84L93.5Very high94.1Very high85 Ų8586.1 Ų86.145%0.44547%0.469SS..Hα-helixtrans-48.3-46.6173.9-72.5176.2000115.2L79 T82 L86 M87 V88L79-L84 WeakPolarHBondContact O-CD2 3.49Å; T82-L84 PolarHBondContact O-N 3.48Å; L84-L86 VanDerWaalsContact C-N 3.32Å; L84-L86 PolarHBondContact O-N 3.21Å; L84-M87 HydrophobicContact CD2-CE 4.15Å; L84-M87 PolarHBondContact O-N 3.12Å; L84-V88 WeakPolarHBondContact O-CG2 3.41Å; L84-V88 PolarHBondContact O-N 3.12Å
85P94.1Very high94.2Very high97 Ų9787.1 Ų87.163%0.6347%0.47SS*.Hα-helixtrans-63.9-38.1-177.323.3-33.4000112.2N83 M89N83-P85 VanDerWaalsContact C-CD 3.44Å; P85-M89 WeakPolarHBondContact O-CB 2.96Å; P85-M89 WeakPolarHBondContact O-CG 3.32Å; P85-M89 PolarHBondContact O-N 3.24Å
86L94.5Very high94.3Very high120 Ų12089.5 Ų89.563%0.62848%0.482SS*.Hα-helixtrans-65.7-44177.4-17964.6000111.1N83 L84 M89 S90N83-L86 HydrophobicContact CB-CB 4.22Å; N83-L86 PolarHBondContact O-N 3.34Å; L84-L86 VanDerWaalsContact C-N 3.32Å; L84-L86 PolarHBondContact O-N 3.21Å; L86-M89 PolarHBondContact O-N 3.02Å; L86-S90 WeakPolarHBondContact O-CB 3.44Å; L86-S90 PolarHBondContact O-N 3.34Å; L86-S90 PolarHBondContact O-OG 3.26Å
87M94.7Very high94.4Very high20 Ų2089.5 Ų89.510%0.09948%0.477CS..Hα-helixtrans-60.8-48.8178.1-180-85.2-82.600111.2L75 A78 L79 N83 L84 M89 S90 S91L75-M87 HydrophobicContact CD2-SD 4.4Å; A78-M87 HydrophobicContact CB-CE 4.41Å; A78-M87 HydrophobicContact CB-CG 3.8Å; A78-M87 HydrophobicContact CB-SD 4.34Å; A78-M87 WeakPolarHBondContact O-CE 3.29Å; L79-M87 VanDerWaalsContact CA-CE 3.41Å; L79-M87 HydrophobicContact CB-CE 4.21Å; L79-M87 HydrophobicContact CD2-CE 3.49Å; L79-M87 VanDerWaalsContact CD2-CE 3.49Å; L79-M87 HydrophobicContact CG-CE 3.88Å; N83-M87 PolarHBondContact O-N 3.07Å; L84-M87 HydrophobicContact CD2-CE 4.15Å; L84-M87 PolarHBondContact O-N 3.12Å; M87-M89 VanDerWaalsContact C-N 3.34Å; M87-M89 PolarHBondContact O-N 3.28Å; M87-S90 PolarHBondContact O-N 3.03Å; M87-S90 PolarHBondContact O-OG 3.4Å; M87-S91 PolarHBondContact O-N 2.95Å; M87-S91 PolarHBondContact O-OG 3.31Å
88V94.5Very high94.5Very high60 Ų6082.7 Ų82.736%0.36445%0.454SS..Hα-helixtrans-61.8-40.9178.4173.40000111.6L84 S91 L92L84-V88 WeakPolarHBondContact O-CG2 3.41Å; L84-V88 PolarHBondContact O-N 3.12Å; V88-S91 PolarHBondContact O-OG 3.19Å; V88-S91 VanDerWaalsContact O-OG 3.04Å; V88-L92 HydrophobicContact CG1-CD1 3.8Å; V88-L92 HydrophobicContact CG1-CG 4.37Å; V88-L92 WeakPolarHBondContact O-CB 3.49Å; V88-L92 VanDerWaalsContact O-CG 3.28Å; V88-L92 WeakPolarHBondContact O-CG 3.44Å; V88-L92 PolarHBondContact O-N 2.99Å
89M95.8Very high94.6Very high122 Ų12284 Ų8460%0.60147%0.465SS*.Hα-helixtrans-63.1-44.3175.6-71.8-64.6115.300111.8P85 L86 M87 L92 L93P85-M89 WeakPolarHBondContact O-CB 2.96Å; P85-M89 WeakPolarHBondContact O-CG 3.32Å; P85-M89 PolarHBondContact O-N 3.24Å; L86-M89 PolarHBondContact O-N 3.02Å; M87-M89 VanDerWaalsContact C-N 3.34Å; M87-M89 PolarHBondContact O-N 3.28Å; M89-L92 HydrophobicContact CE-CD1 4.29Å; M89-L93 WeakPolarHBondContact O-CB 3.44Å; M89-L93 PolarHBondContact O-N 2.95Å
90S93.6Very high94.8Very high68 Ų6884.2 Ų84.248%0.47647%0.465SS..Hα-helixtrans-66.5-38.8179.867.50000113L86 M87 L93 L94L86-S90 WeakPolarHBondContact O-CB 3.44Å; L86-S90 PolarHBondContact O-N 3.34Å; L86-S90 PolarHBondContact O-OG 3.26Å; M87-S90 PolarHBondContact O-N 3.03Å; M87-S90 PolarHBondContact O-OG 3.4Å; S90-L93 PolarHBondContact O-N 3.37Å; S90-L94 PolarHBondContact O-N 2.98Å; S90-L94 VanDerWaalsContact O-N 3.08Å
91S94.8Very high94.9Very high18 Ų1878.3 Ų78.313%0.12644%0.442CS..Hα-helixtrans-71.6-41.6179.263.90000112L75 M87 V88 L93 L94 I95L75-S91 VanDerWaalsContact CD2-CB 3.45Å; M87-S91 PolarHBondContact O-N 2.95Å; M87-S91 PolarHBondContact O-OG 3.31Å; V88-S91 PolarHBondContact O-OG 3.19Å; V88-S91 VanDerWaalsContact O-OG 3.04Å; S91-L93 VanDerWaalsContact C-N 3.32Å; S91-L93 PolarHBondContact O-N 3.25Å; S91-L94 PolarHBondContact O-N 3.3Å; S91-I95 VanDerWaalsContact O-CG1 3.32Å; S91-I95 WeakPolarHBondContact O-CG1 3.28Å; S91-I95 PolarHBondContact O-N 3.37Å
92L95.9Very high94.9Very high83 Ų8378.5 Ų78.544%0.43544%0.441SS..Hα-helixtrans-60.9-42.1172.5-75.5170.7000111.6V88 M89 L94 I95 I96V88-L92 HydrophobicContact CG1-CD1 3.8Å; V88-L92 HydrophobicContact CG1-CG 4.37Å; V88-L92 WeakPolarHBondContact O-CB 3.49Å; V88-L92 VanDerWaalsContact O-CG 3.28Å; V88-L92 WeakPolarHBondContact O-CG 3.44Å; V88-L92 PolarHBondContact O-N 2.99Å; M89-L92 HydrophobicContact CE-CD1 4.29Å; L92-L94 VanDerWaalsContact C-N 3.32Å; L92-L94 PolarHBondContact O-N 3.47Å; L92-I95 PolarHBondContact O-N 2.93Å; L92-I96 WeakPolarHBondContact O-CB 3.3Å; L92-I96 WeakPolarHBondContact O-CD1 3.4Å; L92-I96 VanDerWaalsContact O-CG1 3.22Å; L92-I96 WeakPolarHBondContact O-CG1 3.35Å; L92-I96 PolarHBondContact O-N 3.47Å
93L96.3Very high95.1Very high106 Ų10674.1 Ų74.156%0.55542%0.418SS*.Hα-helixtrans-60.5-42.5176.8-177.7138.7000111.6M89 S90 S91 I96 I97M89-L93 WeakPolarHBondContact O-CB 3.44Å; M89-L93 PolarHBondContact O-N 2.95Å; S90-L93 PolarHBondContact O-N 3.37Å; S91-L93 VanDerWaalsContact C-N 3.32Å; S91-L93 PolarHBondContact O-N 3.25Å; L93-I96 PolarHBondContact O-N 3.39Å; L93-I97 HydrophobicContact CD2-CD1 3.58Å; L93-I97 HydrophobicContact CG-CD1 4.28Å; L93-I97 WeakPolarHBondContact O-CG1 3.25Å; L93-I97 PolarHBondContact O-N 3.08Å
94L95.6Very high95.2Very high44 Ų4476.6 Ų76.623%0.2342%0.421CS..Hα-helixtrans-65-44177.5-159.2154.3000111.6L71 L72 S90 S91 L92 I96 I97 L98L71-L94 HydrophobicContact CB-CD1 3.97Å; L71-L94 HydrophobicContact CD1-CD1 4.3Å; L72-L94 HydrophobicContact CD1-CD2 4.13Å; L72-L94 HydrophobicContact CD2-CB 4.5Å; L72-L94 HydrophobicContact CD2-CD2 3.75Å; L72-L94 HydrophobicContact CG-CD2 3.74Å; S90-L94 PolarHBondContact O-N 2.98Å; S90-L94 VanDerWaalsContact O-N 3.08Å; S91-L94 PolarHBondContact O-N 3.3Å; L92-L94 VanDerWaalsContact C-N 3.32Å; L92-L94 PolarHBondContact O-N 3.47Å; L94-I96 VanDerWaalsContact C-N 3.32Å; L94-I96 PolarHBondContact O-N 2.94Å; L94-I97 PolarHBondContact O-N 3.27Å; L94-L98 PolarHBondContact O-N 3.15Å
95I96.3Very high95.1Very high81 Ų8173.6 Ų73.642%0.41541%0.405SS..Hα-helixtrans-62.2-39.5176.3-65.8165000111.4L72 S91 L92 L98 A99L72-I95 HydrophobicContact CD1-CG1 4.39Å; L72-I95 HydrophobicContact CD2-CG1 4.01Å; S91-I95 VanDerWaalsContact O-CG1 3.32Å; S91-I95 WeakPolarHBondContact O-CG1 3.28Å; S91-I95 PolarHBondContact O-N 3.37Å; L92-I95 PolarHBondContact O-N 2.93Å; I95-L98 PolarHBondContact O-N 3.09Å; I95-A99 WeakPolarHBondContact O-CB 3.45Å; I95-A99 PolarHBondContact O-N 3.33Å
96I97.1Very high95Very high99 Ų9977 Ų7751%0.50841%0.405SS..Hα-helixtrans-64.3-42.5176.8-70.9163.7000110.7L92 L93 L94 L98 A99 L100L92-I96 WeakPolarHBondContact O-CB 3.3Å; L92-I96 WeakPolarHBondContact O-CD1 3.4Å; L92-I96 VanDerWaalsContact O-CG1 3.22Å; L92-I96 WeakPolarHBondContact O-CG1 3.35Å; L92-I96 PolarHBondContact O-N 3.47Å; L93-I96 PolarHBondContact O-N 3.39Å; L94-I96 VanDerWaalsContact C-N 3.32Å; L94-I96 PolarHBondContact O-N 2.94Å; I96-L98 VanDerWaalsContact C-N 3.34Å; I96-L98 PolarHBondContact O-N 3.16Å; I96-A99 PolarHBondContact O-N 3.35Å; I96-L100 HydrophobicContact CG2-CD1 3.87Å; I96-L100 HydrophobicContact CG2-CG 4.31Å; I96-L100 WeakPolarHBondContact O-CB 3.4Å; I96-L100 VanDerWaalsContact O-CG 3.29Å; I96-L100 WeakPolarHBondContact O-CG 3.03Å; I96-L100 PolarHBondContact O-N 3.19Å
97I95.8Very high95Very high86 Ų8677.8 Ų77.844%0.44141%0.41SS..Hα-helixtrans-61.2-44.4176.8-69.4167.2000110.6L93 L94 A99 L100 S101L93-I97 HydrophobicContact CD2-CD1 3.58Å; L93-I97 HydrophobicContact CG-CD1 4.28Å; L93-I97 WeakPolarHBondContact O-CG1 3.25Å; L93-I97 PolarHBondContact O-N 3.08Å; L94-I97 PolarHBondContact O-N 3.27Å; I97-A99 PolarHBondContact O-N 3.26Å; I97-L100 PolarHBondContact O-N 3.03Å; I97-S101 PolarHBondContact O-N 3.33Å; I97-S101 PolarHBondContact O-OG 3.3Å
98L95.4Very high94.8Very high41 Ų4182.7 Ų82.722%0.21543%0.432CS..Hα-helixtrans-60.6-44.1176-171.2157000111.8F65 E68 L72 L94 I95 I96 L100 S101 L102F65-L98 HydrophobicContact CD1-CG 4.07Å; F65-L98 HydrophobicContact CE1-CD2 4.46Å; F65-L98 HydrophobicContact CE1-CG 4.21Å; E68-L98 HydrophobicContact CB-CD1 3.98Å; E68-L98 WeakPolarHBondContact OE2-CA 3.48Å; E68-L98 VanDerWaalsContact OE2-CB 3.26Å; E68-L98 WeakPolarHBondContact OE2-CB 3.49Å; E68-L98 WeakPolarHBondContact OE2-CD1 3.49Å; E68-L98 WeakPolarHBondContact OE2-CG 3.46Å; L72-L98 HydrophobicContact CD1-CD1 4.38Å; L94-L98 PolarHBondContact O-N 3.15Å; I95-L98 PolarHBondContact O-N 3.09Å; I96-L98 VanDerWaalsContact C-N 3.34Å; I96-L98 PolarHBondContact O-N 3.16Å; L98-L100 VanDerWaalsContact C-N 3.33Å; L98-L100 PolarHBondContact O-N 3.44Å; L98-S101 WeakPolarHBondContact CA-OG 3.4Å; L98-S101 PolarHBondContact O-N 3Å; L98-S101 PolarHBondContact O-OG 3.34Å; L98-L102 PolarHBondContact O-N 3Å; L98-L102 VanDerWaalsContact O-N 3.11Å
99A95.9Very high94.4Very high55 Ų5586.8 Ų86.846%0.45545%0.445SS..Hα-helixtrans-64.6-38.5177.100000112I95 I96 I97 A103I95-A99 WeakPolarHBondContact O-CB 3.45Å; I95-A99 PolarHBondContact O-N 3.33Å; I96-A99 PolarHBondContact O-N 3.35Å; I97-A99 PolarHBondContact O-N 3.26Å; A99-A103 VanDerWaalsContact O-CB 3.3Å; A99-A103 WeakPolarHBondContact O-CB 3.1Å; A99-A103 PolarHBondContact O-N 3.37Å
100L96.4Very high93.8Very high113 Ų11382.1 Ų82.159%0.59243%0.428SS*.Hα-helixtrans-69.8-39.7177.8-74.5172.7000112.3I96 I97 L98 A103 Y104I96-L100 HydrophobicContact CG2-CD1 3.87Å; I96-L100 HydrophobicContact CG2-CG 4.31Å; I96-L100 WeakPolarHBondContact O-CB 3.4Å; I96-L100 VanDerWaalsContact O-CG 3.29Å; I96-L100 WeakPolarHBondContact O-CG 3.03Å; I96-L100 PolarHBondContact O-N 3.19Å; I97-L100 PolarHBondContact O-N 3.03Å; L98-L100 VanDerWaalsContact C-N 3.33Å; L98-L100 PolarHBondContact O-N 3.44Å; L100-A103 PolarHBondContact O-N 3.29Å; L100-Y104 WeakPolarHBondContact O-CB 2.89Å; L100-Y104 PolarHBondContact O-N 2.99Å
101S94Very high93.4Very high41 Ų4181.3 Ų81.329%0.28742%0.418SS..Hα-helixtrans-65-43177.557.60000111.1F65 I97 L98 Y104 E105F65-S101 WeakPolarHBondContact CE1-OG 3.42Å; I97-S101 PolarHBondContact O-N 3.33Å; I97-S101 PolarHBondContact O-OG 3.3Å; L98-S101 WeakPolarHBondContact CA-OG 3.4Å; L98-S101 PolarHBondContact O-N 3Å; L98-S101 PolarHBondContact O-OG 3.34Å; S101-Y104 PolarHBondContact O-N 3.48Å; S101-E105 PolarHBondContact O-N 3.23Å
102L94.3Very high92.9Very high70 Ų7083.9 Ų83.937%0.36643%0.431SS..Hα-helixtrans-62.4-45.8172.5-176.668.2000112.4F65 L98 Y104 E105 W106 L111F65-L102 HydrophobicContact CE1-CB 4.41Å; F65-L102 HydrophobicContact CE2-CD1 3.86Å; F65-L102 HydrophobicContact CZ-CB 3.82Å; F65-L102 HydrophobicContact CZ-CD1 3.82Å; F65-L102 HydrophobicContact CZ-CG 4.43Å; L98-L102 PolarHBondContact O-N 3Å; L98-L102 VanDerWaalsContact O-N 3.11Å; L102-Y104 VanDerWaalsContact C-N 3.27Å; L102-Y104 PolarHBondContact O-N 3.3Å; L102-E105 PolarHBondContact O-N 3.36Å; L102-W106 WeakPolarHBondContact O-CB 3.16Å; L102-W106 PolarHBondContact O-N 2.96Å; L102-L111 HydrophobicContact CD1-CD1 4.12Å
103A95.6Very high92.1Very high46 Ų4689.8 Ų89.838%0.3845%0.447SS..Hα-helixtrans-61-38.617800000111.7A99 L100 L107A99-A103 VanDerWaalsContact O-CB 3.3Å; A99-A103 WeakPolarHBondContact O-CB 3.1Å; A99-A103 PolarHBondContact O-N 3.37Å; L100-A103 PolarHBondContact O-N 3.29Å; A103-L107 WeakPolarHBondContact O-CB 3.49Å; A103-L107 VanDerWaalsContact O-CG 3.25Å; A103-L107 WeakPolarHBondContact O-CG 3.42Å; A103-L107 PolarHBondContact O-N 3.06Å
104Y94.4Very high90.4Very high153 Ų15387.9 Ų87.960%0.645%0.447SS*.Hα-helixtrans-64.1-47.8175.5178-97.6000111.9L100 S101 L102 W106 L107 Q108L100-Y104 WeakPolarHBondContact O-CB 2.89Å; L100-Y104 PolarHBondContact O-N 2.99Å; S101-Y104 PolarHBondContact O-N 3.48Å; L102-Y104 VanDerWaalsContact C-N 3.27Å; L102-Y104 PolarHBondContact O-N 3.3Å; Y104-W106 VanDerWaalsContact C-N 3.3Å; Y104-W106 PolarHBondContact O-N 3.2Å; Y104-L107 PolarHBondContact O-N 3.08Å; Y104-Q108 HydrophobicContact CD1-CG 4.36Å; Y104-Q108 HydrophobicContact CD2-CG 4.49Å; Y104-Q108 HydrophobicContact CE1-CG 3.95Å; Y104-Q108 HydrophobicContact CE2-CG 4.1Å; Y104-Q108 WeakPolarHBondContact O-CG 3.32Å; Y104-Q108 PolarHBondContact O-N 3.37Å
105E92.8Very high88.5Confident22 Ų2298.5 Ų98.510%0.10350%0.495CS..Hα-helixtrans-61-40.4178.3-168.6-175175.200112T61 S101 L102 Q108 K109 G110 L111T61-E105 VanDerWaalsContact CB-OE1 3.32Å; T61-E105 WeakPolarHBondContact CB-OE1 3.16Å; T61-E105 VanDerWaalsContact CB-OE2 3.3Å; T61-E105 WeakPolarHBondContact CB-OE2 3.4Å; T61-E105 HydrophobicContact CG2-CG 4.35Å; T61-E105 WeakPolarHBondContact CG2-OE1 3.36Å; T61-E105 VanDerWaalsContact CG2-OE2 3.28Å; T61-E105 WeakPolarHBondContact CG2-OE2 3.25Å; T61-E105 PolarHBondContact OG1-OE1 3.25Å; S101-E105 PolarHBondContact O-N 3.23Å; L102-E105 PolarHBondContact O-N 3.36Å; E105-Q108 PolarHBondContact O-N 3.2Å; E105-K109 PolarHBondContact O-N 3.29Å; E105-G110 PolarHBondContact O-N 2.79Å; E105-G110 VanDerWaalsContact O-N 3.09Å; E105-L111 HydrophobicContact CG-CG 4.18Å; E105-L111 WeakPolarHBondContact OE1-CD2 3.39Å
106W91.5Very high88.1Confident168 Ų16899.4 Ų99.464%0.63650%0.499SS*.Hα-helixtrans-61.5-49.4175-168.9-61.6000111.6L102 Y104 Q108 K109 L111L102-W106 WeakPolarHBondContact O-CB 3.16Å; L102-W106 PolarHBondContact O-N 2.96Å; Y104-W106 VanDerWaalsContact C-N 3.3Å; Y104-W106 PolarHBondContact O-N 3.2Å; W106-Q108 PolarHBondContact O-N 2.99Å; W106-K109 PolarHBondContact O-N 3.36Å; W106-L111 HydrophobicContact CB-CD1 4.49Å; W106-L111 HydrophobicContact CE3-CD1 4Å
107L93.9Very high87.6Confident138 Ų13899.4 Ų99.472%0.72350%0.499SS*.Hα-helixtrans-62.1-32.2179.9-74.6169.9000112.5A103 Y104 K109A103-L107 WeakPolarHBondContact O-CB 3.49Å; A103-L107 VanDerWaalsContact O-CG 3.25Å; A103-L107 WeakPolarHBondContact O-CG 3.42Å; A103-L107 PolarHBondContact O-N 3.06Å; Y104-L107 PolarHBondContact O-N 3.08Å; L107-K109 PolarHBondContact O-N 3.01Å
108Q90.6Very high87.2Confident122 Ų122100.1 Ų100.157%0.5750%0.502SS*.THydrogen-bonded Turntrans-79.85.9176.2-65.2-61.7-13.400113.8Y104 E105 W106 G110Y104-Q108 HydrophobicContact CD1-CG 4.36Å; Y104-Q108 HydrophobicContact CD2-CG 4.49Å; Y104-Q108 HydrophobicContact CE1-CG 3.95Å; Y104-Q108 HydrophobicContact CE2-CG 4.1Å; Y104-Q108 WeakPolarHBondContact O-CG 3.32Å; Y104-Q108 PolarHBondContact O-N 3.37Å; E105-Q108 PolarHBondContact O-N 3.2Å; W106-Q108 PolarHBondContact O-N 2.99Å; Q108-G110 PolarHBondContact O-N 3.35Å; Q108-G110 VanDerWaalsContact O-N 3.15Å
109K87.5Confident86.7Confident147 Ų147103.6 Ų103.664%0.63952%0.519SS*.THydrogen-bonded Turntrans59.222.5-178.4-53.2-169.9172.4-175.70113.3E105 W106 L107 L111 D112E105-K109 PolarHBondContact O-N 3.29Å; W106-K109 PolarHBondContact O-N 3.36Å; L107-K109 PolarHBondContact O-N 3.01Å; K109-L111 PolarHBondContact O-N 3.34Å; K109-D112 HydrophobicContact CB-CB 3.91Å; K109-D112 WeakPolarHBondContact CB-OD2 3.49Å; K109-D112 WeakPolarHBondContact CD-OD2 3.45Å; K109-D112 WeakPolarHBondContact CG-OD2 3.25Å; K109-D112 PolarHBondContact O-N 3.44Å; K109-D112 VanDerWaalsContact O-N 3.16Å
110G83.1Confident86.1Confident23 Ų23106.6 Ų106.624%0.23752%0.523CS..THydrogen-bonded Turntrans-63.3-28.5175.700000112.1E105 Q108E105-G110 PolarHBondContact O-N 2.79Å; E105-G110 VanDerWaalsContact O-N 3.09Å; Q108-G110 PolarHBondContact O-N 3.35Å; Q108-G110 VanDerWaalsContact O-N 3.15Å
111L84.9Confident85.4Confident51 Ų51106.2 Ų106.227%0.26752%0.518SS..THydrogen-bonded Turntrans-97.4-3.8177.9-57.9175.4000113.4L102 E105 W106 K109 W113L102-L111 HydrophobicContact CD1-CD1 4.12Å; E105-L111 HydrophobicContact CG-CG 4.18Å; E105-L111 WeakPolarHBondContact OE1-CD2 3.39Å; W106-L111 HydrophobicContact CB-CD1 4.49Å; W106-L111 HydrophobicContact CE3-CD1 4Å; K109-L111 PolarHBondContact O-N 3.34Å; L111-W113 PolarHBondContact O-N 3.13Å
112D83.9Confident84.8Confident73 Ų73110.9 Ų110.939%0.3954%0.535SS..  trans-74.5115.6-179.8-82.8-8.8000110.1K109 A114K109-D112 HydrophobicContact CB-CB 3.91Å; K109-D112 WeakPolarHBondContact CB-OD2 3.49Å; K109-D112 WeakPolarHBondContact CD-OD2 3.45Å; K109-D112 WeakPolarHBondContact CG-OD2 3.25Å; K109-D112 PolarHBondContact O-N 3.44Å; K109-D112 VanDerWaalsContact O-N 3.16Å; D112-A114 PolarHBondContact O-N 2.99Å
113W77.9Confident84.1Confident206 Ų206114 Ų11478%0.7855%0.548SS*.  trans-87.587.5170.9-65.715.8000107.7L111L111-W113 PolarHBondContact O-N 3.13Å
114A61.6Low83.1Confident66 Ų66119.7 Ų119.755%0.54556%0.562SS.*  trans-70.6125.7156.800000108.4K54 D112K54-A114 PolarHBondContact NZ-O 3.13Å; K54-A114 VanDerWaalsContact NZ-O 3.08Å; D112-A114 PolarHBondContact O-N 2.99Å
115E55.1Low82.1Confident267 Ų267116.6 Ų116.6100%1.24856%0.558SS**  trans-450157.8-66.7179.9173.700111

Retrieved 115 of 115 residues in 61.1 ms (Link to these results)

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