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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 , UniProt , Accession A0A059RBC5, Species HUMAN (Homo sapiens, Human), Gene ND3, Length 107 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
1M75.2Confident94.9Very high194 Ų194107.9 Ų107.996%0.95657%0.569SS**  0-54.20-150.3109.899.100112F3 A4 L5M1-F3 PolarHBondContact O-N 3.35Å; M1-A4 PolarHBondContact O-N 2.68Å; M1-L5 HydrophobicContact CG-CD1 4.14Å; M1-L5 HydrophobicContact CG-CG 4.47Å; M1-L5 WeakPolarHBondContact O-CG 3.49Å; M1-L5 PolarHBondContact O-N 3.22Å
2N94.1Very high95.2Very high126 Ų126106.5 Ų106.567%0.67456%0.562SS**Hα-helixtrans-59-42.1-174.5-60.43.2000114.5L5 I6N2-L5 WeakPolarHBondContact O-CB 3.47Å; N2-L5 PolarHBondContact O-N 2.95Å; N2-I6 WeakPolarHBondContact O-CG1 3.46Å; N2-I6 PolarHBondContact O-N 3.43Å
3F95.4Very high95.4Very high151 Ų151105.9 Ų105.966%0.66256%0.558SS**Hα-helixtrans-63.3-44.3176.7-178.7-107.6000112.6M1 L5 I6 L7M1-F3 PolarHBondContact O-N 3.35Å; F3-L5 VanDerWaalsContact C-N 3.3Å; F3-L5 PolarHBondContact O-N 3.21Å; F3-I6 PolarHBondContact O-N 2.95Å; F3-L7 HydrophobicContact CD1-CD1 3.93Å; F3-L7 HydrophobicContact CE1-CD1 3.37Å; F3-L7 HydrophobicContact CE1-CG 4.14Å; F3-L7 HydrophobicContact CZ-CD1 3.74Å; F3-L7 HydrophobicContact CZ-CD2 4.39Å; F3-L7 HydrophobicContact CZ-CG 4.12Å; F3-L7 PolarHBondContact O-N 3.4Å
4A96.3Very high95.6Very high64 Ų64102.6 Ų102.653%0.52955%0.553SS.*Hα-helixtrans-62.8-37.7175.700000111.7M1 L7 M8M1-A4 PolarHBondContact O-N 2.68Å; A4-L7 PolarHBondContact O-N 3.17Å; A4-M8 WeakPolarHBondContact O-CB 3.26Å; A4-M8 PolarHBondContact O-N 3.18Å
5L97Very high95.8Very high85 Ų85101.6 Ų101.645%0.44555%0.547SS..Hα-helixtrans-63.3-43174.1-71169.5000111.8M1 N2 F3 M8 I9M1-L5 HydrophobicContact CG-CD1 4.14Å; M1-L5 HydrophobicContact CG-CG 4.47Å; M1-L5 WeakPolarHBondContact O-CG 3.49Å; M1-L5 PolarHBondContact O-N 3.22Å; N2-L5 WeakPolarHBondContact O-CB 3.47Å; N2-L5 PolarHBondContact O-N 2.95Å; F3-L5 VanDerWaalsContact C-N 3.3Å; F3-L5 PolarHBondContact O-N 3.21Å; L5-M8 PolarHBondContact O-N 3.32Å; L5-I9 WeakPolarHBondContact O-CD1 3.26Å; L5-I9 VanDerWaalsContact O-CG1 3.24Å; L5-I9 WeakPolarHBondContact O-CG1 3.25Å; L5-I9 PolarHBondContact O-N 2.99Å
6I97.5Very high95.9Very high93 Ų93100.9 Ų100.948%0.47754%0.543SS..Hα-helixtrans-61.4-47.1176.5-67.7163.3000110.8N2 F3 M8 I9 N10N2-I6 WeakPolarHBondContact O-CG1 3.46Å; N2-I6 PolarHBondContact O-N 3.43Å; F3-I6 PolarHBondContact O-N 2.95Å; I6-M8 VanDerWaalsContact C-N 3.3Å; I6-M8 PolarHBondContact O-N 3.32Å; I6-I9 PolarHBondContact O-N 3.49Å; I6-N10 VanDerWaalsContact O-CG 3.3Å; I6-N10 PolarHBondContact O-N 3.39Å; I6-N10 PolarHBondContact O-ND2 2.98Å
7L97.6Very high96Very high85 Ų85100.6 Ų100.645%0.44554%0.54SS..Hα-helixtrans-61-40.5176.5-72.5176.9000112.1F3 A4 N10 T11F3-L7 HydrophobicContact CD1-CD1 3.93Å; F3-L7 HydrophobicContact CE1-CD1 3.37Å; F3-L7 HydrophobicContact CE1-CG 4.14Å; F3-L7 HydrophobicContact CZ-CD1 3.74Å; F3-L7 HydrophobicContact CZ-CD2 4.39Å; F3-L7 HydrophobicContact CZ-CG 4.12Å; F3-L7 PolarHBondContact O-N 3.4Å; A4-L7 PolarHBondContact O-N 3.17Å; L7-N10 PolarHBondContact O-N 2.84Å; L7-T11 WeakPolarHBondContact O-CG2 3.33Å; L7-T11 PolarHBondContact O-N 2.96Å; L7-T11 PolarHBondContact O-OG1 3.5Å
8M97.7Very high96.1Very high108 Ų10899.8 Ų99.853%0.53253%0.534SS..Hα-helixtrans-64.9-44.3177.3-174.7-180-176.800111.6A4 L5 I6 N10 T11 L12A4-M8 WeakPolarHBondContact O-CB 3.26Å; A4-M8 PolarHBondContact O-N 3.18Å; L5-M8 PolarHBondContact O-N 3.32Å; I6-M8 VanDerWaalsContact C-N 3.3Å; I6-M8 PolarHBondContact O-N 3.32Å; M8-N10 PolarHBondContact O-N 3.43Å; M8-T11 PolarHBondContact O-N 2.93Å; M8-T11 PolarHBondContact O-OG1 3.29Å; M8-L12 HydrophobicContact CE-CD1 4.04Å; M8-L12 HydrophobicContact CG-CD1 3.89Å; M8-L12 HydrophobicContact CG-CG 4.45Å; M8-L12 WeakPolarHBondContact O-CB 3.32Å; M8-L12 VanDerWaalsContact O-CG 3.25Å; M8-L12 WeakPolarHBondContact O-CG 3.34Å; M8-L12 PolarHBondContact O-N 3.33Å
9I97.8Very high96.1Very high107 Ų10799.4 Ų99.455%0.54953%0.53SS..Hα-helixtrans-63-44.2178.1-68.2163.1000110.5L5 I6 L12 L13L5-I9 WeakPolarHBondContact O-CD1 3.26Å; L5-I9 VanDerWaalsContact O-CG1 3.24Å; L5-I9 WeakPolarHBondContact O-CG1 3.25Å; L5-I9 PolarHBondContact O-N 2.99Å; I6-I9 PolarHBondContact O-N 3.49Å; I9-L12 PolarHBondContact O-N 3.5Å; I9-L13 WeakPolarHBondContact O-CB 3.48Å; I9-L13 PolarHBondContact O-N 2.91Å
10N98Very high96.1Very high93 Ų9398.3 Ų98.350%0.49752%0.523SS..Hα-helixtrans-64-43.7-179.9-71.7-15.2000112.4I6 L7 M8 L13 A14I6-N10 VanDerWaalsContact O-CG 3.3Å; I6-N10 PolarHBondContact O-N 3.39Å; I6-N10 PolarHBondContact O-ND2 2.98Å; L7-N10 PolarHBondContact O-N 2.84Å; M8-N10 PolarHBondContact O-N 3.43Å; N10-L13 PolarHBondContact O-N 2.97Å; N10-A14 PolarHBondContact O-N 2.88Å
11T97.8Very high96.1Very high81 Ų8198 Ų9850%0.49753%0.526SS..Hα-helixtrans-68.2-40.9178.650.70000111.6L7 M8 A14 L15L7-T11 WeakPolarHBondContact O-CG2 3.33Å; L7-T11 PolarHBondContact O-N 2.96Å; L7-T11 PolarHBondContact O-OG1 3.5Å; M8-T11 PolarHBondContact O-N 2.93Å; M8-T11 PolarHBondContact O-OG1 3.29Å; T11-A14 PolarHBondContact O-N 2.96Å; T11-L15 WeakPolarHBondContact O-CB 3.4Å; T11-L15 WeakPolarHBondContact O-CG 3.44Å; T11-L15 PolarHBondContact O-N 3.48Å
12L98.1Very high96.9Very high91 Ų9194.8 Ų94.848%0.47651%0.507SS..Hα-helixtrans-63.3-40.8174.3-75171.2000112.3M8 I9 L15 L16M8-L12 HydrophobicContact CE-CD1 4.04Å; M8-L12 HydrophobicContact CG-CD1 3.89Å; M8-L12 HydrophobicContact CG-CG 4.45Å; M8-L12 WeakPolarHBondContact O-CB 3.32Å; M8-L12 VanDerWaalsContact O-CG 3.25Å; M8-L12 WeakPolarHBondContact O-CG 3.34Å; M8-L12 PolarHBondContact O-N 3.33Å; I9-L12 PolarHBondContact O-N 3.5Å; L12-L15 PolarHBondContact O-N 2.93Å; L12-L16 VanDerWaalsContact O-CB 3.26Å; L12-L16 WeakPolarHBondContact O-CB 3.06Å; L12-L16 PolarHBondContact O-N 3.31Å
13L98.1Very high96.8Very high99 Ų9998.9 Ų98.952%0.51851%0.513SS..Hα-helixtrans-62.8-45.5176.5-173.873000111.2I9 N10 L15 L16 L17I9-L13 WeakPolarHBondContact O-CB 3.48Å; I9-L13 PolarHBondContact O-N 2.91Å; N10-L13 PolarHBondContact O-N 2.97Å; L13-L15 PolarHBondContact O-N 3.38Å; L13-L16 PolarHBondContact O-N 3.28Å; L13-L17 HydrophobicContact CG-CD1 4.44Å; L13-L17 WeakPolarHBondContact O-CG 3.3Å; L13-L17 PolarHBondContact O-N 2.72Å
14A98.1Very high96.8Very high59 Ų5998.4 Ų98.449%0.48852%0.517SS..Hα-helixtrans-61.4-43176.800000112N10 T11 L17 M18N10-A14 PolarHBondContact O-N 2.88Å; T11-A14 PolarHBondContact O-N 2.96Å; A14-L17 PolarHBondContact O-N 3.29Å; A14-M18 WeakPolarHBondContact O-CB 3.18Å; A14-M18 PolarHBondContact O-N 3.16Å
15L97.9Very high96.5Very high88 Ų8898.6 Ų98.646%0.46151%0.512SS..Hα-helixtrans-64.3-42.5175.6-74.8170.4000112.1T11 L12 L13 M18 I19T11-L15 WeakPolarHBondContact O-CB 3.4Å; T11-L15 WeakPolarHBondContact O-CG 3.44Å; T11-L15 PolarHBondContact O-N 3.48Å; L12-L15 PolarHBondContact O-N 2.93Å; L13-L15 PolarHBondContact O-N 3.38Å; L15-M18 HydrophobicContact CD2-CE 3.83Å; L15-M18 PolarHBondContact O-N 2.91Å; L15-I19 VanDerWaalsContact O-CG1 3.26Å; L15-I19 WeakPolarHBondContact O-CG1 3.1Å; L15-I19 PolarHBondContact O-N 3.44Å
16L97.9Very high96Very high91 Ų91102.8 Ų102.848%0.47653%0.53SS..Hα-helixtrans-62.7-45178.3179.9145000111.3L12 L13 M18 I19 I20L12-L16 VanDerWaalsContact O-CB 3.26Å; L12-L16 WeakPolarHBondContact O-CB 3.06Å; L12-L16 PolarHBondContact O-N 3.31Å; L13-L16 PolarHBondContact O-N 3.28Å; L16-M18 VanDerWaalsContact C-N 3.34Å; L16-M18 PolarHBondContact O-N 2.98Å; L16-I19 PolarHBondContact O-N 3.36Å; L16-I20 HydrophobicContact CD2-CD1 3.5Å; L16-I20 HydrophobicContact CD2-CG1 4.45Å; L16-I20 HydrophobicContact CG-CD1 4.27Å; L16-I20 VanDerWaalsContact O-CG1 3.32Å; L16-I20 WeakPolarHBondContact O-CG1 3.37Å; L16-I20 PolarHBondContact O-N 3Å
17L97.6Very high95.3Very high96 Ų96105.1 Ų105.150%0.50354%0.542SS..Hα-helixtrans-62.4-42.7175.2-70.9173.3000111.4L13 A14 I19 I20 T21L13-L17 HydrophobicContact CG-CD1 4.44Å; L13-L17 WeakPolarHBondContact O-CG 3.3Å; L13-L17 PolarHBondContact O-N 2.72Å; A14-L17 PolarHBondContact O-N 3.29Å; L17-I19 PolarHBondContact O-N 3.27Å; L17-I20 PolarHBondContact O-N 3.26Å; L17-T21 WeakPolarHBondContact O-CG2 3.41Å; L17-T21 PolarHBondContact O-N 3.34Å; L17-T21 PolarHBondContact O-OG1 3.19Å
18M96.9Very high94.6Very high86 Ų86104.6 Ų104.642%0.42454%0.54SS..Hα-helixtrans-59.1-47.4175.6-177.4-99.2-77.400111.3A14 L15 L16 I20 T21 F22A14-M18 WeakPolarHBondContact O-CB 3.18Å; A14-M18 PolarHBondContact O-N 3.16Å; L15-M18 HydrophobicContact CD2-CE 3.83Å; L15-M18 PolarHBondContact O-N 2.91Å; L16-M18 VanDerWaalsContact C-N 3.34Å; L16-M18 PolarHBondContact O-N 2.98Å; M18-I20 PolarHBondContact O-N 2.99Å; M18-T21 WeakPolarHBondContact CA-OG1 3.08Å; M18-T21 PolarHBondContact O-N 2.96Å; M18-T21 VanDerWaalsContact O-N 3.16Å; M18-T21 PolarHBondContact O-OG1 3.44Å; M18-F22 HydrophobicContact CG-CD2 3.74Å; M18-F22 HydrophobicContact CG-CE2 3.66Å; M18-F22 VanDerWaalsContact O-CD2 3.3Å; M18-F22 WeakPolarHBondContact O-CD2 3.33Å; M18-F22 PolarHBondContact O-N 3.03Å; M18-F22 HydrophobicContact SD-CD2 3.53Å; M18-F22 VanDerWaalsContact SD-CD2 3.53Å; M18-F22 HydrophobicContact SD-CE2 3.65Å
19I96.6Very high93.9Very high91 Ų91103.4 Ų103.447%0.46756%0.555SS.*Hα-helixtrans-58.3-48.3175.6-67.9162.9000110.5L15 L16 L17 T21 F22 W23L15-I19 VanDerWaalsContact O-CG1 3.26Å; L15-I19 WeakPolarHBondContact O-CG1 3.1Å; L15-I19 PolarHBondContact O-N 3.44Å; L16-I19 PolarHBondContact O-N 3.36Å; L17-I19 PolarHBondContact O-N 3.27Å; I19-T21 VanDerWaalsContact C-N 3.29Å; I19-T21 PolarHBondContact O-N 2.98Å; I19-F22 PolarHBondContact O-N 3.31Å; I19-W23 HydrophobicContact CG2-CG 4.47Å; I19-W23 WeakPolarHBondContact O-CB 3.48Å; I19-W23 PolarHBondContact O-N 3.28Å
20I96.7Very high93.4Very high77 Ų77105 Ų10540%0.39556%0.555SS.*Hα-helixtrans-57.4-45.3177.6-67.1169.1000110.6L16 L17 M18 F22 W23 L24L16-I20 HydrophobicContact CD2-CD1 3.5Å; L16-I20 HydrophobicContact CD2-CG1 4.45Å; L16-I20 HydrophobicContact CG-CD1 4.27Å; L16-I20 VanDerWaalsContact O-CG1 3.32Å; L16-I20 WeakPolarHBondContact O-CG1 3.37Å; L16-I20 PolarHBondContact O-N 3Å; L17-I20 PolarHBondContact O-N 3.26Å; M18-I20 PolarHBondContact O-N 2.99Å; I20-F22 VanDerWaalsContact C-N 3.31Å; I20-F22 PolarHBondContact O-N 3.42Å; I20-W23 PolarHBondContact O-N 2.92Å; I20-L24 HydrophobicContact CG2-CB 4.22Å; I20-L24 HydrophobicContact CG2-CD1 3.81Å; I20-L24 WeakPolarHBondContact O-CB 3.49Å; I20-L24 PolarHBondContact O-N 3.49Å
21T95.5Very high92.8Very high94 Ų94107.8 Ų107.858%0.57757%0.567SS**Hα-helixtrans-66.1-29.5-179.657.40000114L17 M18 I19 P25L17-T21 WeakPolarHBondContact O-CG2 3.41Å; L17-T21 PolarHBondContact O-N 3.34Å; L17-T21 PolarHBondContact O-OG1 3.19Å; M18-T21 WeakPolarHBondContact CA-OG1 3.08Å; M18-T21 PolarHBondContact O-N 2.96Å; M18-T21 VanDerWaalsContact O-N 3.16Å; M18-T21 PolarHBondContact O-OG1 3.44Å; I19-T21 VanDerWaalsContact C-N 3.29Å; I19-T21 PolarHBondContact O-N 2.98Å; T21-P25 WeakPolarHBondContact O-CD 3.33Å; T21-P25 WeakPolarHBondContact O-CG 3.24Å
22F92.4Very high92.1Very high126 Ų126111 Ų11155%0.55358%0.576SS**Hα-helixtrans-80.9-34.8176.6-85.8-72.5000113.4M18 I19 I20M18-F22 HydrophobicContact CG-CD2 3.74Å; M18-F22 HydrophobicContact CG-CE2 3.66Å; M18-F22 VanDerWaalsContact O-CD2 3.3Å; M18-F22 WeakPolarHBondContact O-CD2 3.33Å; M18-F22 PolarHBondContact O-N 3.03Å; M18-F22 HydrophobicContact SD-CD2 3.53Å; M18-F22 VanDerWaalsContact SD-CD2 3.53Å; M18-F22 HydrophobicContact SD-CE2 3.65Å; I19-F22 PolarHBondContact O-N 3.31Å; I20-F22 VanDerWaalsContact C-N 3.31Å; I20-F22 PolarHBondContact O-N 3.42Å
23W92.9Very high91.5Very high212 Ų212113.6 Ų113.680%0.80358%0.584SS**Hα-helixtrans-101.1-22.7-169.6-69.488.8000114.6I19 I20I19-W23 HydrophobicContact CG2-CG 4.47Å; I19-W23 WeakPolarHBondContact O-CB 3.48Å; I19-W23 PolarHBondContact O-N 3.28Å; I20-W23 PolarHBondContact O-N 2.92Å
24L93.4Very high91Very high141 Ų141113.1 Ų113.174%0.73859%0.589SS**SBendtrans-76.2-38.4-179.7-164.6148.9000113.6I20I20-L24 HydrophobicContact CG2-CB 4.22Å; I20-L24 HydrophobicContact CG2-CD1 3.81Å; I20-L24 WeakPolarHBondContact O-CB 3.49Å; I20-L24 PolarHBondContact O-N 3.49Å
25P91.4Very high90.5Very high68 Ų68113.3 Ų113.344%0.44258%0.584SS.*SBendtrans-73.1149.3177.7-17.332.4000113.1T21 L27T21-P25 WeakPolarHBondContact O-CD 3.33Å; T21-P25 WeakPolarHBondContact O-CG 3.24Å; P25-L27 PolarHBondContact O-N 2.99Å
26Q85.1Confident90.1Very high173 Ų173113.4 Ų113.481%0.80859%0.59SS**  trans-75.7115.3172.2-166.9171.4-0.900110.7N28Q26-N28 PolarHBondContact O-N 3.48Å
27L82.9Confident89.6Confident141 Ų141118.5 Ų118.574%0.73860%0.604SS**  trans-85.396.2-177.4-63.9169.4000111P25P25-L27 PolarHBondContact O-N 2.99Å
28N84Confident89.1Confident75 Ų75117.7 Ų117.740%0.40160%0.598SS.*  trans-10093.2169.1-70.4-3.4000109.7Q26 Y30 K33Q26-N28 PolarHBondContact O-N 3.48Å; N28-Y30 HydrophobicContact CB-CD2 4.44Å; N28-Y30 HydrophobicContact CB-CE2 3.8Å; N28-Y30 PolarHBondContact O-N 2.88Å; N28-K33 WeakPolarHBondContact O-CD 3.4Å
29G83.3Confident88.6Confident82 Ų82118.2 Ų118.285%0.84561%0.609SS**  trans-83.596.1-179.100000112.7
30Y87.4Confident88.1Confident141 Ų141117 Ų11755%0.55362%0.619SS**  trans-101150167.4-55.4-72.5000109.3N28 E32 K33 S34N28-Y30 HydrophobicContact CB-CD2 4.44Å; N28-Y30 HydrophobicContact CB-CE2 3.8Å; N28-Y30 PolarHBondContact O-N 2.88Å; Y30-E32 VanDerWaalsContact C-N 3.25Å; Y30-E32 PolarHBondContact O-N 2.88Å; Y30-K33 HydrophobicContact CD2-CD 4.08Å; Y30-K33 PolarHBondContact O-N 3.31Å; Y30-S34 PolarHBondContact O-N 3.47Å
31M84.4Confident87.6Confident151 Ų151121 Ų12174%0.74463%0.633SS**Hα-helixtrans-51.7-44.4180-72.7-62.4-6300112.2K33 S34 T35M31-K33 PolarHBondContact O-N 3Å; M31-S34 WeakPolarHBondContact O-CA 3.34Å; M31-S34 PolarHBondContact O-N 3.28Å; M31-S34 PolarHBondContact O-OG 3.49Å; M31-T35 PolarHBondContact O-N 3.42Å
32E83.6Confident87.2Confident149 Ų149122.7 Ų122.770%0.69664%0.639SS**Hα-helixtrans-65-19.7179-57.5-59.4164.200114.9Y30 T35Y30-E32 VanDerWaalsContact C-N 3.25Å; Y30-E32 PolarHBondContact O-N 2.88Å; E32-T35 PolarHBondContact O-OG1 3.44Å
33K85.7Confident86.9Confident146 Ų146119.7 Ų119.764%0.63563%0.632SS**Hα-helixtrans-85.4-15.9173.4-69.5-174.5178.5178.10112.4N28 Y30 M31N28-K33 WeakPolarHBondContact O-CD 3.4Å; Y30-K33 HydrophobicContact CD2-CD 4.08Å; Y30-K33 PolarHBondContact O-N 3.31Å; M31-K33 PolarHBondContact O-N 3Å
34S87.6Confident86.5Confident88 Ų88117.9 Ų117.962%0.61564%0.635SS**Hα-helixtrans-99.4-8.5179.264.60000113.3Y30 M31Y30-S34 PolarHBondContact O-N 3.47Å; M31-S34 WeakPolarHBondContact O-CA 3.34Å; M31-S34 PolarHBondContact O-N 3.28Å; M31-S34 PolarHBondContact O-OG 3.49Å
35T87.8Confident85.9Confident64 Ų64114.2 Ų114.239%0.39362%0.621SS.*SBendtrans-77.7151173.448.10000111M31 E32M31-T35 PolarHBondContact O-N 3.42Å; E32-T35 PolarHBondContact O-OG1 3.44Å
36P88.7Confident85.5Confident89 Ų89115.7 Ų115.758%0.57863%0.63SS**  trans-65.9140.2177.228.8-35.3000110.8P43P36-P43 HydrophobicContact CG-CB 4.5Å; P36-P43 HydrophobicContact CG-CG 3.85Å
37Y86.8Confident85.3Confident198 Ų198112.5 Ų112.578%0.77663%0.633SS**  trans-88112.7178.4179.5-97.3000111.2
38E88.1Confident85.3Confident79 Ų79117.1 Ų117.137%0.36964%0.641SS.*BIsolated β-bridgetrans-118.168.3170.8-165.6167.8150.700110.1G40 F41 P43E38-G40 PolarHBondContact O-N 3.03Å; E38-G40 VanDerWaalsContact O-N 3.14Å; E38-F41 PolarHBondContact O-N 3.04Å; E38-P43 WeakPolarHBondContact OE2-CA 3.35Å; E38-P43 WeakPolarHBondContact OE2-CB 3.35Å
39C86.9Confident85Confident98 Ų98118 Ų11866%0.66265%0.649SS**THydrogen-bonded Turntrans56.931178.3-61.70000114.5
40G86.1Confident84.8Confident65 Ų65120.4 Ų120.467%0.6765%0.65SS**THydrogen-bonded Turntrans86.47.2-178.200000115E38E38-G40 PolarHBondContact O-N 3.03Å; E38-G40 VanDerWaalsContact O-N 3.14Å
41F85.7Confident84.3Confident160 Ų160120.4 Ų120.470%0.70265%0.653SS**BIsolated β-bridgetrans-113.1159.9174.5-61.9-83.6000111.6E38E38-F41 PolarHBondContact O-N 3.04Å
42D87.7Confident84.4Confident131 Ų131115.7 Ų115.770%0.70163%0.634SS**  trans-67.9143.3169.6-71.5-36.9000110.5M44D42-M44 PolarHBondContact O-N 3.14Å
43P86.2Confident84.5Confident62 Ų62115 Ų11540%0.40363%0.633SS.*  trans-66.2124.7-174.727.3-36.1000112P36 E38 S45P36-P43 HydrophobicContact CG-CB 4.5Å; P36-P43 HydrophobicContact CG-CG 3.85Å; E38-P43 WeakPolarHBondContact OE2-CA 3.35Å; E38-P43 WeakPolarHBondContact OE2-CB 3.35Å; P43-S45 VanDerWaalsContact C-N 3.32Å; P43-S45 PolarHBondContact O-N 3.44Å
44M82.7Confident84.6Confident175 Ų175116 Ų11686%0.86264%0.637SS**SBendtrans-75.7-22.6-178-69.9-66.7-146.600112.9D42D42-M44 PolarHBondContact O-N 3.14Å
45S82.6Confident84.4Confident63 Ų63117.9 Ų117.944%0.44164%0.635SS.*SBendtrans-149.1157-179.4690000110.4P43P43-S45 VanDerWaalsContact C-N 3.32Å; P43-S45 PolarHBondContact O-N 3.44Å
46P83.1Confident84.5Confident99 Ų99120 Ų12064%0.64364%0.638SS**  trans-62.3140.6173.827-34.8000110.6R48P46-R48 PolarHBondContact O-N 3.22Å
47A80.9Confident84.6Confident106 Ų106120.7 Ų120.788%0.87664%0.637SS**SBendtrans-58.6-18.3178.200000114.2V49A47-V49 PolarHBondContact O-N 3.16Å
48R81.1Confident84.8Confident239 Ų239115.3 Ų115.390%0.90262%0.624SS**  trans-91.579.9174.9-63.5-172.3-174.7-167.52.6110.1P46P46-R48 PolarHBondContact O-N 3.22Å
49V79.3Confident85.1Confident94 Ų94114.2 Ų114.257%0.5763%0.629SS**PPolyproline II helixtrans-85152.6170.2-69.90000110.9A47 F51A47-V49 PolarHBondContact O-N 3.16Å; V49-F51 PolarHBondContact O-N 2.97Å; V49-F51 VanDerWaalsContact O-N 3.16Å
50P79Confident85.4Confident131 Ų131112.9 Ų112.985%0.85161%0.614SS**PPolyproline II helixtrans-55.3123.9172.422.7-32.8000109.8
51F76.3Confident85.8Confident142 Ų142111.1 Ų111.162%0.62359%0.591SS**PPolyproline II helixtrans-77.6150.3-173.6-171-118.3000111.2V49 M53 F55V49-F51 PolarHBondContact O-N 2.97Å; V49-F51 VanDerWaalsContact O-N 3.16Å; F51-M53 PolarHBondContact O-N 3.49Å; F51-F55 HydrophobicContact CD1-CB 4.12Å; F51-F55 HydrophobicContact CD2-CD2 4.48Å; F51-F55 HydrophobicContact CE1-CB 3.1Å; F51-F55 HydrophobicContact CE1-CD2 4.05Å; F51-F55 AromaticContact CE1-CG 4Å; F51-F55 HydrophobicContact CE1-CG 4Å; F51-F55 HydrophobicContact CE2-CB 4.23Å; F51-F55 AromaticContact CE2-CD2 3.67Å; F51-F55 HydrophobicContact CE2-CD2 3.67Å; F51-F55 HydrophobicContact CE2-CE2 4.46Å; F51-F55 HydrophobicContact CE2-CG 4.27Å; F51-F55 HydrophobicContact CZ-CB 3.16Å; F51-F55 AromaticContact CZ-CD2 3.43Å; F51-F55 HydrophobicContact CZ-CD2 3.43Å; F51-F55 VanDerWaalsContact CZ-CD2 3.43Å; F51-F55 AromaticContact CZ-CG 3.56Å; F51-F55 HydrophobicContact CZ-CG 3.56Å
52S86.3Confident86.2Confident51 Ų51110 Ų11036%0.35759%0.586SS.*PPolyproline II helixtrans-69.3133179.790.50000110.8K54 F55S52-K54 PolarHBondContact O-N 3.17Å; S52-K54 VanDerWaalsContact O-N 3.13Å; S52-F55 PolarHBondContact O-N 3.08Å; S52-F55 WeakPolarHBondContact OG-CD2 3.46Å; S52-F55 WeakPolarHBondContact OG-CE2 3.48Å
53M84.9Confident86.5Confident135 Ų135108.5 Ų108.567%0.66558%0.577SS**Hα-helixtrans-61.6-22.3179.4-65.7-62.6-77.900113F51 F56 L57F51-M53 PolarHBondContact O-N 3.49Å; M53-F56 HydrophobicContact CE-CD1 4.36Å; M53-F56 WeakPolarHBondContact O-CB 3.46Å; M53-F56 PolarHBondContact O-N 3.12Å; M53-L57 WeakPolarHBondContact O-CG 3.47Å; M53-L57 PolarHBondContact O-N 3.49Å
54K88.1Confident87Confident166 Ų166109.6 Ų109.672%0.72258%0.579SS**Hα-helixtrans-61.7-45.9178.6-64.4-175.9178.1-176.20111.9S52 F56 L57 V58S52-K54 PolarHBondContact O-N 3.17Å; S52-K54 VanDerWaalsContact O-N 3.13Å; K54-F56 VanDerWaalsContact C-N 3.29Å; K54-F56 PolarHBondContact O-N 3.32Å; K54-L57 PolarHBondContact O-N 3.01Å; K54-V58 WeakPolarHBondContact O-CG2 3.45Å; K54-V58 PolarHBondContact O-N 3.35Å
55F84.3Confident87.6Confident129 Ų129102.9 Ų102.957%0.56655%0.546SS*.Hα-helixtrans-70.6-28.7177.8-67.2-54.9000112.4F51 S52 V58 A59F51-F55 HydrophobicContact CD1-CB 4.12Å; F51-F55 HydrophobicContact CD2-CD2 4.48Å; F51-F55 HydrophobicContact CE1-CB 3.1Å; F51-F55 HydrophobicContact CE1-CD2 4.05Å; F51-F55 AromaticContact CE1-CG 4Å; F51-F55 HydrophobicContact CE1-CG 4Å; F51-F55 HydrophobicContact CE2-CB 4.23Å; F51-F55 AromaticContact CE2-CD2 3.67Å; F51-F55 HydrophobicContact CE2-CD2 3.67Å; F51-F55 HydrophobicContact CE2-CE2 4.46Å; F51-F55 HydrophobicContact CE2-CG 4.27Å; F51-F55 HydrophobicContact CZ-CB 3.16Å; F51-F55 AromaticContact CZ-CD2 3.43Å; F51-F55 HydrophobicContact CZ-CD2 3.43Å; F51-F55 VanDerWaalsContact CZ-CD2 3.43Å; F51-F55 AromaticContact CZ-CG 3.56Å; F51-F55 HydrophobicContact CZ-CG 3.56Å; S52-F55 PolarHBondContact O-N 3.08Å; S52-F55 WeakPolarHBondContact OG-CD2 3.46Å; S52-F55 WeakPolarHBondContact OG-CE2 3.48Å; F55-V58 PolarHBondContact O-N 3.21Å; F55-A59 PolarHBondContact O-N 3.46Å
56F89.1Confident88.2Confident107 Ų107104 Ų10447%0.46955%0.547SS..Hα-helixtrans-66.8-41.3173.6177.5-105.4000111.9M53 K54 V58 A59 I60M53-F56 HydrophobicContact CE-CD1 4.36Å; M53-F56 WeakPolarHBondContact O-CB 3.46Å; M53-F56 PolarHBondContact O-N 3.12Å; K54-F56 VanDerWaalsContact C-N 3.29Å; K54-F56 PolarHBondContact O-N 3.32Å; F56-V58 VanDerWaalsContact C-N 3.33Å; F56-V58 PolarHBondContact O-N 3.15Å; F56-A59 WeakPolarHBondContact O-CB 3.48Å; F56-A59 PolarHBondContact O-N 3.24Å; F56-A59 VanDerWaalsContact O-N 3.15Å; F56-I60 HydrophobicContact CD1-CD1 3.94Å; F56-I60 HydrophobicContact CE1-CD1 3.32Å; F56-I60 HydrophobicContact CE1-CG1 4.28Å; F56-I60 HydrophobicContact CE2-CD1 4.4Å; F56-I60 HydrophobicContact CZ-CD1 3.59Å; F56-I60 HydrophobicContact CZ-CG1 4.23Å; F56-I60 PolarHBondContact O-N 3.13Å
57L91.1Very high88.9Confident104 Ų104104.2 Ų104.255%0.54554%0.542SS..Hα-helixtrans-60.6-42.6175.1-72169.3000111.8M53 K54 A59 I60 T61M53-L57 WeakPolarHBondContact O-CG 3.47Å; M53-L57 PolarHBondContact O-N 3.49Å; K54-L57 PolarHBondContact O-N 3.01Å; L57-A59 VanDerWaalsContact C-N 3.26Å; L57-A59 PolarHBondContact O-N 3.46Å; L57-I60 PolarHBondContact O-N 3.31Å; L57-I60 VanDerWaalsContact O-N 3.12Å; L57-T61 WeakPolarHBondContact O-CG2 3.41Å; L57-T61 PolarHBondContact O-N 3.23Å; L57-T61 PolarHBondContact O-OG1 3.15Å
58V92.1Very high89.5Confident85 Ų85101.1 Ų101.152%0.51551%0.509SS..Hα-helixtrans-59.2-36.9174.9175.50000112K54 F55 F56 T61 F62K54-V58 WeakPolarHBondContact O-CG2 3.45Å; K54-V58 PolarHBondContact O-N 3.35Å; F55-V58 PolarHBondContact O-N 3.21Å; F56-V58 VanDerWaalsContact C-N 3.33Å; F56-V58 PolarHBondContact O-N 3.15Å; V58-T61 WeakPolarHBondContact CA-OG1 3.34Å; V58-T61 PolarHBondContact O-OG1 2.91Å; V58-F62 VanDerWaalsContact O-CB 3.24Å; V58-F62 WeakPolarHBondContact O-CB 3.24Å; V58-F62 PolarHBondContact O-N 3.26Å
59A93.3Very high90.2Very high56 Ų5694.2 Ų94.246%0.46349%0.489SS..Hα-helixtrans-68.4-36.7177.400000112.4F55 F56 L57 L63F55-A59 PolarHBondContact O-N 3.46Å; F56-A59 WeakPolarHBondContact O-CB 3.48Å; F56-A59 PolarHBondContact O-N 3.24Å; F56-A59 VanDerWaalsContact O-N 3.15Å; L57-A59 VanDerWaalsContact C-N 3.26Å; L57-A59 PolarHBondContact O-N 3.46Å; A59-L63 WeakPolarHBondContact O-CB 3.49Å; A59-L63 PolarHBondContact O-N 3.29Å; A59-L63 VanDerWaalsContact O-N 3.08Å
60I94Very high91Very high70 Ų7092.5 Ų92.536%0.35948%0.484SS..Hα-helixtrans-68.3-45.5175.4-67.9172.6000110.4F56 L57 F62 L63 L64F56-I60 HydrophobicContact CD1-CD1 3.94Å; F56-I60 HydrophobicContact CE1-CD1 3.32Å; F56-I60 HydrophobicContact CE1-CG1 4.28Å; F56-I60 HydrophobicContact CE2-CD1 4.4Å; F56-I60 HydrophobicContact CZ-CD1 3.59Å; F56-I60 HydrophobicContact CZ-CG1 4.23Å; F56-I60 PolarHBondContact O-N 3.13Å; L57-I60 PolarHBondContact O-N 3.31Å; L57-I60 VanDerWaalsContact O-N 3.12Å; I60-F62 VanDerWaalsContact C-N 3.34Å; I60-L63 WeakPolarHBondContact O-CB 3.45Å; I60-L63 PolarHBondContact O-N 3.47Å; I60-L63 VanDerWaalsContact O-N 3.15Å; I60-L64 HydrophobicContact CG2-CD1 4.21Å; I60-L64 WeakPolarHBondContact O-CG 3.2Å; I60-L64 PolarHBondContact O-N 3.42Å
61T93.2Very high91.8Very high29 Ų2991.8 Ų91.818%0.17847%0.473CS..Hα-helixtrans-68.3-37-178.958.30000111.5L57 V58 L63 L64 F65 E105L57-T61 WeakPolarHBondContact O-CG2 3.41Å; L57-T61 PolarHBondContact O-N 3.23Å; L57-T61 PolarHBondContact O-OG1 3.15Å; V58-T61 WeakPolarHBondContact CA-OG1 3.34Å; V58-T61 PolarHBondContact O-OG1 2.91Å; T61-L63 PolarHBondContact O-N 3.27Å; T61-L64 PolarHBondContact O-N 3.45Å; T61-F65 WeakPolarHBondContact O-CD2 3.49Å; T61-F65 WeakPolarHBondContact O-CG 3.49Å; T61-F65 PolarHBondContact O-N 3.46Å; T61-E105 VanDerWaalsContact CB-CD 3.44Å; T61-E105 WeakPolarHBondContact CB-OE1 3.47Å; T61-E105 VanDerWaalsContact CB-OE2 3.27Å; T61-E105 WeakPolarHBondContact CB-OE2 3Å; T61-E105 HydrophobicContact CG2-CG 4Å; T61-E105 WeakPolarHBondContact CG2-OE1 3.46Å; T61-E105 WeakPolarHBondContact CG2-OE2 3.49Å; T61-E105 PolarHBondContact OG1-OE1 3.35Å
62F94.4Very high92.7Very high137 Ų13786.7 Ų86.760%0.60145%0.452SS*.Hα-helixtrans-55.4-47.3167.1172.7-101.9000112.4V58 I60 L64 F65 D66V58-F62 VanDerWaalsContact O-CB 3.24Å; V58-F62 WeakPolarHBondContact O-CB 3.24Å; V58-F62 PolarHBondContact O-N 3.26Å; I60-F62 VanDerWaalsContact C-N 3.34Å; F62-L64 PolarHBondContact O-N 3.15Å; F62-F65 PolarHBondContact O-N 3.21Å; F62-D66 WeakPolarHBondContact O-CB 3.27Å; F62-D66 PolarHBondContact O-N 2.89Å
63L95.4Very high93.2Very high98 Ų9889.9 Ų89.951%0.51347%0.465SS..Hα-helixtrans-62.4-43.6179.9-175.3155000112A59 I60 T61 D66 L67A59-L63 WeakPolarHBondContact O-CB 3.49Å; A59-L63 PolarHBondContact O-N 3.29Å; A59-L63 VanDerWaalsContact O-N 3.08Å; I60-L63 WeakPolarHBondContact O-CB 3.45Å; I60-L63 PolarHBondContact O-N 3.47Å; I60-L63 VanDerWaalsContact O-N 3.15Å; T61-L63 PolarHBondContact O-N 3.27Å; L63-D66 PolarHBondContact O-N 3.42Å; L63-L67 HydrophobicContact CD2-CD1 3.92Å; L63-L67 WeakPolarHBondContact O-CG 3.48Å; L63-L67 PolarHBondContact O-N 3.34Å
64L95.2Very high93.6Very high86 Ų8686.2 Ų86.245%0.4545%0.451SS..Hα-helixtrans-65.3-45.5178.5-68.6175.6000111.6I60 T61 F62 D66 L67 E68I60-L64 HydrophobicContact CG2-CD1 4.21Å; I60-L64 WeakPolarHBondContact O-CG 3.2Å; I60-L64 PolarHBondContact O-N 3.42Å; T61-L64 PolarHBondContact O-N 3.45Å; F62-L64 PolarHBondContact O-N 3.15Å; L64-D66 VanDerWaalsContact C-N 3.34Å; L64-D66 PolarHBondContact O-N 3.48Å; L64-L67 WeakPolarHBondContact O-CB 3.18Å; L64-L67 PolarHBondContact O-N 2.99Å; L64-E68 PolarHBondContact O-N 3.15Å; L64-E68 VanDerWaalsContact O-N 3.15Å
65F95.4Very high93.9Very high34 Ų3480.8 Ų80.815%0.14943%0.429CS..Hα-helixtrans-66.7-33.3177.2-68.2-41.1000112.9T61 F62 L67 E68 I69 L98 L102 E105T61-F65 WeakPolarHBondContact O-CD2 3.49Å; T61-F65 WeakPolarHBondContact O-CG 3.49Å; T61-F65 PolarHBondContact O-N 3.46Å; F62-F65 PolarHBondContact O-N 3.21Å; F65-L67 VanDerWaalsContact C-N 3.32Å; F65-L67 PolarHBondContact O-N 3.44Å; F65-E68 PolarHBondContact O-N 2.91Å; F65-I69 WeakPolarHBondContact O-CB 3.46Å; F65-I69 VanDerWaalsContact O-CG1 3.24Å; F65-I69 WeakPolarHBondContact O-CG1 3.16Å; F65-I69 PolarHBondContact O-N 2.72Å; F65-L98 HydrophobicContact CD1-CG 4.22Å; F65-L98 HydrophobicContact CE1-CG 4.47Å; F65-L102 HydrophobicContact CE1-CB 4.48Å; F65-L102 HydrophobicContact CE2-CD1 3.95Å; F65-L102 HydrophobicContact CZ-CB 3.96Å; F65-L102 HydrophobicContact CZ-CD1 4.01Å; F65-E105 WeakPolarHBondContact CE2-OE2 3.43Å
66D96.4Very high94.4Very high87 Ų8778.7 Ų78.747%0.46543%0.429SS..Hα-helixtrans-63.6-38.7175-165.833.8000111.5F62 L63 L64 I69 A70F62-D66 WeakPolarHBondContact O-CB 3.27Å; F62-D66 PolarHBondContact O-N 2.89Å; L63-D66 PolarHBondContact O-N 3.42Å; L64-D66 VanDerWaalsContact C-N 3.34Å; L64-D66 PolarHBondContact O-N 3.48Å; D66-I69 PolarHBondContact O-N 2.95Å; D66-A70 WeakPolarHBondContact O-CB 3.33Å; D66-A70 PolarHBondContact O-N 3.28Å
67L96.3Very high94.6Very high103 Ų10382.5 Ų82.554%0.53944%0.44SS..Hα-helixtrans-64-42.4173.3-69.6173000112.3L63 L64 F65 A70 L71L63-L67 HydrophobicContact CD2-CD1 3.92Å; L63-L67 WeakPolarHBondContact O-CG 3.48Å; L63-L67 PolarHBondContact O-N 3.34Å; L64-L67 WeakPolarHBondContact O-CB 3.18Å; L64-L67 PolarHBondContact O-N 2.99Å; F65-L67 VanDerWaalsContact C-N 3.32Å; F65-L67 PolarHBondContact O-N 3.44Å; L67-A70 WeakPolarHBondContact O-CB 3.48Å; L67-A70 PolarHBondContact O-N 3.2Å; L67-L71 WeakPolarHBondContact O-CG 3.49Å; L67-L71 PolarHBondContact O-N 2.95Å; L67-L71 VanDerWaalsContact O-N 3.15Å
68E94.6Very high94.7Very high41 Ų4178.8 Ų78.819%0.19243%0.425CS..Hα-helixtrans-68.1-37.2177.6-66.7-179.1175.900112.1L64 F65 L71 L72 L98L64-E68 PolarHBondContact O-N 3.15Å; L64-E68 VanDerWaalsContact O-N 3.15Å; F65-E68 PolarHBondContact O-N 2.91Å; E68-L71 WeakPolarHBondContact O-CB 3.31Å; E68-L71 PolarHBondContact O-N 3.26Å; E68-L72 PolarHBondContact O-N 3.22Å; E68-L72 VanDerWaalsContact O-N 3.16Å; E68-L98 HydrophobicContact CB-CD1 3.93Å; E68-L98 WeakPolarHBondContact OE2-CA 3.42Å; E68-L98 VanDerWaalsContact OE2-CB 3.31Å; E68-L98 WeakPolarHBondContact OE2-CB 3.04Å; E68-L98 VanDerWaalsContact OE2-CG 3.23Å; E68-L98 WeakPolarHBondContact OE2-CG 3.46Å
69I95.8Very high94.7Very high94 Ų9480 Ų8048%0.48243%0.428SS..Hα-helixtrans-65.1-40.7173.3-69.1165.4000110.7F65 D66 L71 L72 L73F65-I69 WeakPolarHBondContact O-CB 3.46Å; F65-I69 VanDerWaalsContact O-CG1 3.24Å; F65-I69 WeakPolarHBondContact O-CG1 3.16Å; F65-I69 PolarHBondContact O-N 2.72Å; D66-I69 PolarHBondContact O-N 2.95Å; I69-L71 PolarHBondContact O-N 3.11Å; I69-L72 CarbonylContact O-C 3.59Å; I69-L72 WeakPolarHBondContact O-CA 3.48Å; I69-L72 PolarHBondContact O-N 3Å; I69-L73 PolarHBondContact O-N 3.08Å
70A96.7Very high94.7Very high57 Ų5785.3 Ų85.347%0.47144%0.443SS..Hα-helixtrans-59.4-35.217500000112D66 L67 P74D66-A70 WeakPolarHBondContact O-CB 3.33Å; D66-A70 PolarHBondContact O-N 3.28Å; L67-A70 WeakPolarHBondContact O-CB 3.48Å; L67-A70 PolarHBondContact O-N 3.2Å; A70-P74 WeakPolarHBondContact O-CD 3.12Å
71L94.9Very high94.7Very high117 Ų11784.9 Ų84.961%0.61344%0.444SS*.Hα-helixtrans-69.7-28.5173.1-67.3171.3000113.3L67 E68 I69 P74 L94L67-L71 WeakPolarHBondContact O-CG 3.49Å; L67-L71 PolarHBondContact O-N 2.95Å; L67-L71 VanDerWaalsContact O-N 3.15Å; E68-L71 WeakPolarHBondContact O-CB 3.31Å; E68-L71 PolarHBondContact O-N 3.26Å; I69-L71 PolarHBondContact O-N 3.11Å; L71-P74 WeakPolarHBondContact O-CD 3.45Å; L71-L94 HydrophobicContact CB-CD1 3.94Å; L71-L94 HydrophobicContact CD1-CD1 4.48Å
72L95.3Very high94.7Very high35 Ų3590.1 Ų90.118%0.18348%0.476CS..Hα-helixtrans-82.9-22.6176.5-71170.8000113.7E68 I69 P74 L75 L94 I95 L98E68-L72 PolarHBondContact O-N 3.22Å; E68-L72 VanDerWaalsContact O-N 3.16Å; I69-L72 CarbonylContact O-C 3.59Å; I69-L72 WeakPolarHBondContact O-CA 3.48Å; I69-L72 PolarHBondContact O-N 3Å; L72-P74 VanDerWaalsContact C-CD 3.41Å; L72-L75 HydrophobicContact CB-CD1 4.24Å; L72-L75 HydrophobicContact CD2-CD1 3.63Å; L72-L75 HydrophobicContact CD2-CG 4.43Å; L72-L75 VanDerWaalsContact O-CB 3.31Å; L72-L75 WeakPolarHBondContact O-CB 3.43Å; L72-L75 WeakPolarHBondContact O-CD1 3.23Å; L72-L75 WeakPolarHBondContact O-CG 3.24Å; L72-L75 PolarHBondContact O-N 3.16Å; L72-L75 VanDerWaalsContact O-N 3.11Å; L72-L94 HydrophobicContact CD1-CD2 4.04Å; L72-L94 HydrophobicContact CD2-CB 4.38Å; L72-L94 HydrophobicContact CD2-CD1 4.4Å; L72-L94 HydrophobicContact CD2-CD2 3.84Å; L72-L94 HydrophobicContact CD2-CG 4.42Å; L72-L94 HydrophobicContact CG-CD2 3.73Å; L72-I95 HydrophobicContact CD1-CG1 4.36Å; L72-I95 HydrophobicContact CD2-CG1 4.03Å; L72-L98 HydrophobicContact CD1-CD1 4.23Å
73L96.4Very high94.7Very high118 Ų11888.4 Ų88.462%0.61847%0.473SS*.THydrogen-bonded Turntrans-53.2-39.1-179.3-159151.6000115.2I69 L75 P76I69-L73 PolarHBondContact O-N 3.08Å; L73-L75 PolarHBondContact O-N 2.88Å; L73-P76 WeakPolarHBondContact O-CD 3.31Å
74P94.3Very high94.6Very high57 Ų5787.8 Ų87.837%0.3747%0.47SS..THydrogen-bonded Turntrans-74.90.9179.229.5-36.3000115.2A70 L71 L72 P76 W77 A78A70-P74 WeakPolarHBondContact O-CD 3.12Å; L71-P74 WeakPolarHBondContact O-CD 3.45Å; L72-P74 VanDerWaalsContact C-CD 3.41Å; P74-P76 VanDerWaalsContact C-CD 3.45Å; P74-W77 HydrophobicContact CB-CE3 4.17Å; P74-W77 PolarHBondContact O-N 2.95Å; P74-W77 VanDerWaalsContact O-N 3.08Å; P74-A78 PolarHBondContact O-N 2.99Å
75L94.1Very high94.5Very high52 Ų5288.3 Ų88.327%0.27248%0.478SS..Hα-helixtrans-54.4-40.8-178.8-75.1175.8000115.2L72 L73 W77 A78 L79 S91L72-L75 HydrophobicContact CB-CD1 4.24Å; L72-L75 HydrophobicContact CD2-CD1 3.63Å; L72-L75 HydrophobicContact CD2-CG 4.43Å; L72-L75 VanDerWaalsContact O-CB 3.31Å; L72-L75 WeakPolarHBondContact O-CB 3.43Å; L72-L75 WeakPolarHBondContact O-CD1 3.23Å; L72-L75 WeakPolarHBondContact O-CG 3.24Å; L72-L75 PolarHBondContact O-N 3.16Å; L72-L75 VanDerWaalsContact O-N 3.11Å; L73-L75 PolarHBondContact O-N 2.88Å; L75-W77 PolarHBondContact O-N 3.01Å; L75-A78 WeakPolarHBondContact O-CB 3.4Å; L75-A78 PolarHBondContact O-N 3.28Å; L75-L79 PolarHBondContact O-N 3.47Å; L75-L79 VanDerWaalsContact O-N 3.17Å; L75-S91 VanDerWaalsContact CD2-CB 3.45Å
76P94Very high94.5Very high86 Ų8692.5 Ų92.556%0.55850%0.501SS*.Hα-helixtrans-59-34.1177.2-25.536.3000113.2L73 P74L73-P76 WeakPolarHBondContact O-CD 3.31Å; P74-P76 VanDerWaalsContact C-CD 3.45Å
77W93.9Very high94.4Very high186 Ų18689.2 Ų89.271%0.70548%0.484SS*.Hα-helixtrans-78.6-34.7175-58.1-37.9000111.7P74 L75 L79 Q80P74-W77 HydrophobicContact CB-CE3 4.17Å; P74-W77 PolarHBondContact O-N 2.95Å; P74-W77 VanDerWaalsContact O-N 3.08Å; L75-W77 PolarHBondContact O-N 3.01Å; W77-L79 PolarHBondContact O-N 3.32Å; W77-Q80 PolarHBondContact O-N 2.75Å; W77-Q80 VanDerWaalsContact O-N 3.09Å
78A93.1Very high94.3Very high27 Ų2787.2 Ų87.222%0.22348%0.475CS..Hα-helixtrans-63.7-21177.600000113.5P74 L75 Q80 T81 M87P74-A78 PolarHBondContact O-N 2.99Å; L75-A78 WeakPolarHBondContact O-CB 3.4Å; L75-A78 PolarHBondContact O-N 3.28Å; A78-Q80 PolarHBondContact O-N 3.16Å; A78-T81 WeakPolarHBondContact O-CB 3.19Å; A78-T81 WeakPolarHBondContact O-CG2 3.37Å; A78-T81 PolarHBondContact O-N 3.19Å; A78-T81 VanDerWaalsContact O-N 3.16Å; A78-T81 PolarHBondContact O-OG1 3.09Å; A78-M87 HydrophobicContact CB-CG 3.84Å; A78-M87 WeakPolarHBondContact O-CE 3.43Å
79L92.4Very high94.4Very high111 Ų11191.2 Ų91.258%0.58150%0.495SS*.THydrogen-bonded Turntrans-61.6-17.5171.9-71.8166.5000114.1L75 W77 T81 L84 M87L75-L79 PolarHBondContact O-N 3.47Å; L75-L79 VanDerWaalsContact O-N 3.17Å; W77-L79 PolarHBondContact O-N 3.32Å; L79-T81 VanDerWaalsContact C-N 3.31Å; L79-L84 WeakPolarHBondContact O-CD2 3.48Å; L79-M87 VanDerWaalsContact CA-CE 3.49Å; L79-M87 HydrophobicContact CB-CE 4.33Å; L79-M87 HydrophobicContact CD2-CE 3.57Å; L79-M87 HydrophobicContact CG-CE 4.04Å
80Q93.2Very high94.3Very high166 Ų16690 Ų9078%0.77650%0.495SS*.THydrogen-bonded Turntrans-90.14.3178.4-59.8176.61.100112.9W77 A78W77-Q80 PolarHBondContact O-N 2.75Å; W77-Q80 VanDerWaalsContact O-N 3.09Å; A78-Q80 PolarHBondContact O-N 3.16Å
81T94Very high94.2Very high62 Ų6288.1 Ų88.138%0.3848%0.479SS..  trans-72.8151.3-178.757.60000112.4A78 L79 N83A78-T81 WeakPolarHBondContact O-CB 3.19Å; A78-T81 WeakPolarHBondContact O-CG2 3.37Å; A78-T81 PolarHBondContact O-N 3.19Å; A78-T81 VanDerWaalsContact O-N 3.16Å; A78-T81 PolarHBondContact O-OG1 3.09Å; L79-T81 VanDerWaalsContact C-N 3.31Å; T81-N83 VanDerWaalsContact C-N 3.3Å; T81-N83 PolarHBondContact O-N 3.2Å
82T91.8Very high94.3Very high138 Ų13886.5 Ų86.585%0.84747%0.47SS*.SBendtrans-67.9-31177.3530000112.5
83N94.3Very high94.3Very high102 Ų10289.9 Ų89.955%0.54549%0.488SS..  trans-102.465.7-179.6-70.1-32.9000111.8T81 P85 L86 M87T81-N83 VanDerWaalsContact C-N 3.3Å; T81-N83 PolarHBondContact O-N 3.2Å; N83-P85 VanDerWaalsContact C-CD 3.43Å; N83-L86 HydrophobicContact CB-CB 4.25Å; N83-L86 PolarHBondContact O-N 3.17Å; N83-M87 PolarHBondContact O-N 3.28Å
84L93.6Very high94.3Very high85 Ų8586.3 Ų86.345%0.44547%0.469SS..Hα-helixtrans-49.6-45.4174.2-70.6176.3000115.4L79 L86 M87 V88L79-L84 WeakPolarHBondContact O-CD2 3.48Å; L84-L86 VanDerWaalsContact C-N 3.32Å; L84-L86 PolarHBondContact O-N 3.07Å; L84-M87 HydrophobicContact CD2-CE 3.9Å; L84-M87 PolarHBondContact O-N 3.19Å; L84-V88 WeakPolarHBondContact O-CG2 3.32Å; L84-V88 PolarHBondContact O-N 2.77Å
85P94.4Very high94.4Very high96 Ų9687.5 Ų87.562%0.62347%0.472SS*.Hα-helixtrans-64.8-37.4-176.824.1-33.8000112.3N83 M89N83-P85 VanDerWaalsContact C-CD 3.43Å; P85-M89 WeakPolarHBondContact O-CB 3.49Å; P85-M89 VanDerWaalsContact O-CG 3.22Å; P85-M89 WeakPolarHBondContact O-CG 3.35Å; P85-M89 PolarHBondContact O-N 3.24Å
86L94.6Very high94.5Very high122 Ų12289.7 Ų89.764%0.63948%0.483SS*.Hα-helixtrans-66.2-44.1177.1-177.368.1000111N83 L84 M89 S90N83-L86 HydrophobicContact CB-CB 4.25Å; N83-L86 PolarHBondContact O-N 3.17Å; L84-L86 VanDerWaalsContact C-N 3.32Å; L84-L86 PolarHBondContact O-N 3.07Å; L86-M89 PolarHBondContact O-N 3.25Å; L86-S90 WeakPolarHBondContact O-CB 3.32Å; L86-S90 PolarHBondContact O-N 2.95Å; L86-S90 PolarHBondContact O-OG 3.47Å
87M94.9Very high94.6Very high19 Ų1989.8 Ų89.89%0.09448%0.478CS..Hα-helixtrans-60.7-48.3178176-85.2-8100111.3A78 L79 N83 L84 M89 S90 S91A78-M87 HydrophobicContact CB-CG 3.84Å; A78-M87 WeakPolarHBondContact O-CE 3.43Å; L79-M87 VanDerWaalsContact CA-CE 3.49Å; L79-M87 HydrophobicContact CB-CE 4.33Å; L79-M87 HydrophobicContact CD2-CE 3.57Å; L79-M87 HydrophobicContact CG-CE 4.04Å; N83-M87 PolarHBondContact O-N 3.28Å; L84-M87 HydrophobicContact CD2-CE 3.9Å; L84-M87 PolarHBondContact O-N 3.19Å; M87-M89 VanDerWaalsContact C-N 3.34Å; M87-M89 PolarHBondContact O-N 3.19Å; M87-S90 PolarHBondContact O-N 3.04Å; M87-S90 PolarHBondContact O-OG 2.95Å; M87-S91 PolarHBondContact O-N 3.42Å; M87-S91 PolarHBondContact O-OG 3.28Å
88V94.7Very high94.7Very high60 Ų6082.8 Ų82.836%0.36445%0.454SS..Hα-helixtrans-62-40.7178.8172.80000111.6L84 S91 L92L84-V88 WeakPolarHBondContact O-CG2 3.32Å; L84-V88 PolarHBondContact O-N 2.77Å; V88-S91 PolarHBondContact O-OG 3.47Å; V88-L92 HydrophobicContact CG1-CD1 3.81Å; V88-L92 HydrophobicContact CG1-CG 4.41Å; V88-L92 WeakPolarHBondContact O-CB 3.48Å; V88-L92 VanDerWaalsContact O-CG 3.3Å; V88-L92 WeakPolarHBondContact O-CG 3.45Å; V88-L92 PolarHBondContact O-N 3.45Å
89M95.8Very high94.8Very high125 Ų12584.1 Ų84.162%0.61647%0.465SS*.Hα-helixtrans-63.7-44.9176-72.7-66.8132.400111.9P85 L86 M87 L93P85-M89 WeakPolarHBondContact O-CB 3.49Å; P85-M89 VanDerWaalsContact O-CG 3.22Å; P85-M89 WeakPolarHBondContact O-CG 3.35Å; P85-M89 PolarHBondContact O-N 3.24Å; L86-M89 PolarHBondContact O-N 3.25Å; M87-M89 VanDerWaalsContact C-N 3.34Å; M87-M89 PolarHBondContact O-N 3.19Å; M89-L93 WeakPolarHBondContact O-CB 3.31Å; M89-L93 PolarHBondContact O-N 3.29Å
90S93.9Very high95Very high69 Ų6984.2 Ų84.248%0.48347%0.465SS..Hα-helixtrans-65.6-38.8179.766.80000113L86 M87 L93 L94L86-S90 WeakPolarHBondContact O-CB 3.32Å; L86-S90 PolarHBondContact O-N 2.95Å; L86-S90 PolarHBondContact O-OG 3.47Å; M87-S90 PolarHBondContact O-N 3.04Å; M87-S90 PolarHBondContact O-OG 2.95Å; S90-L93 PolarHBondContact O-N 3.37Å; S90-L94 PolarHBondContact O-N 3.11Å; S90-L94 VanDerWaalsContact O-N 3.11Å
91S94.9Very high95Very high17 Ų1778.4 Ų78.412%0.11944%0.443CS..Hα-helixtrans-72.2-41.1179.862.90000112.2L75 M87 V88 L93 L94 I95L75-S91 VanDerWaalsContact CD2-CB 3.45Å; M87-S91 PolarHBondContact O-N 3.42Å; M87-S91 PolarHBondContact O-OG 3.28Å; V88-S91 PolarHBondContact O-OG 3.47Å; S91-L93 VanDerWaalsContact C-N 3.32Å; S91-L93 PolarHBondContact O-N 3.01Å; S91-L94 PolarHBondContact O-N 3.31Å; S91-I95 VanDerWaalsContact O-CG1 3.31Å; S91-I95 WeakPolarHBondContact O-CG1 3.34Å; S91-I95 PolarHBondContact O-N 3.01Å
92L95.9Very high95.1Very high83 Ų8379.7 Ų79.744%0.43545%0.447SS..Hα-helixtrans-60.9-42.4172.8-77.1169.8000111.6V88 L94 I95 I96V88-L92 HydrophobicContact CG1-CD1 3.81Å; V88-L92 HydrophobicContact CG1-CG 4.41Å; V88-L92 WeakPolarHBondContact O-CB 3.48Å; V88-L92 VanDerWaalsContact O-CG 3.3Å; V88-L92 WeakPolarHBondContact O-CG 3.45Å; V88-L92 PolarHBondContact O-N 3.45Å; L92-L94 VanDerWaalsContact C-N 3.32Å; L92-L94 PolarHBondContact O-N 3.39Å; L92-I95 PolarHBondContact O-N 3.26Å; L92-I96 WeakPolarHBondContact O-CD1 3.38Å; L92-I96 VanDerWaalsContact O-CG1 3.24Å; L92-I96 WeakPolarHBondContact O-CG1 3.35Å; L92-I96 PolarHBondContact O-N 2.91Å
93L96.3Very high95.3Very high107 Ų10775.4 Ų75.456%0.5643%0.426SS*.Hα-helixtrans-60.3-43.2176.9-176.9145000111.5M89 S90 S91 I96 I97M89-L93 WeakPolarHBondContact O-CB 3.31Å; M89-L93 PolarHBondContact O-N 3.29Å; S90-L93 PolarHBondContact O-N 3.37Å; S91-L93 VanDerWaalsContact C-N 3.32Å; S91-L93 PolarHBondContact O-N 3.01Å; L93-I96 PolarHBondContact O-N 3.31Å; L93-I97 HydrophobicContact CD2-CD1 3.52Å; L93-I97 HydrophobicContact CD2-CG1 4.46Å; L93-I97 HydrophobicContact CG-CD1 4.34Å; L93-I97 WeakPolarHBondContact O-CG1 3.22Å; L93-I97 PolarHBondContact O-N 2.95Å
94L95.6Very high95.3Very high43 Ų4379.7 Ų79.723%0.22544%0.435CS..Hα-helixtrans-64.1-43.7177.5-157.7162.6000111.5L71 L72 S90 S91 L92 I96 I97 L98L71-L94 HydrophobicContact CB-CD1 3.94Å; L71-L94 HydrophobicContact CD1-CD1 4.48Å; L72-L94 HydrophobicContact CD1-CD2 4.04Å; L72-L94 HydrophobicContact CD2-CB 4.38Å; L72-L94 HydrophobicContact CD2-CD1 4.4Å; L72-L94 HydrophobicContact CD2-CD2 3.84Å; L72-L94 HydrophobicContact CD2-CG 4.42Å; L72-L94 HydrophobicContact CG-CD2 3.73Å; S90-L94 PolarHBondContact O-N 3.11Å; S90-L94 VanDerWaalsContact O-N 3.11Å; S91-L94 PolarHBondContact O-N 3.31Å; L92-L94 VanDerWaalsContact C-N 3.32Å; L92-L94 PolarHBondContact O-N 3.39Å; L94-I96 VanDerWaalsContact C-N 3.33Å; L94-I96 PolarHBondContact O-N 3.43Å; L94-I97 PolarHBondContact O-N 3.45Å; L94-L98 PolarHBondContact O-N 2.99Å
95I96.4Very high95.2Very high82 Ų8279.5 Ų79.542%0.42143%0.432SS..Hα-helixtrans-62.6-40176.5-66.1163.9000111.6L72 S91 L92 L98 A99L72-I95 HydrophobicContact CD1-CG1 4.36Å; L72-I95 HydrophobicContact CD2-CG1 4.03Å; S91-I95 VanDerWaalsContact O-CG1 3.31Å; S91-I95 WeakPolarHBondContact O-CG1 3.34Å; S91-I95 PolarHBondContact O-N 3.01Å; L92-I95 PolarHBondContact O-N 3.26Å; I95-L98 PolarHBondContact O-N 3.31Å; I95-A99 WeakPolarHBondContact O-CB 3.44Å; I95-A99 PolarHBondContact O-N 3.02Å
96I97.2Very high95.1Very high98 Ų9885.5 Ų85.550%0.50344%0.443SS..Hα-helixtrans-64.1-43177.1-70.2163.2000110.7L92 L93 L94 L98 A99 L100L92-I96 WeakPolarHBondContact O-CD1 3.38Å; L92-I96 VanDerWaalsContact O-CG1 3.24Å; L92-I96 WeakPolarHBondContact O-CG1 3.35Å; L92-I96 PolarHBondContact O-N 2.91Å; L93-I96 PolarHBondContact O-N 3.31Å; L94-I96 VanDerWaalsContact C-N 3.33Å; L94-I96 PolarHBondContact O-N 3.43Å; I96-L98 VanDerWaalsContact C-N 3.35Å; I96-A99 PolarHBondContact O-N 3.34Å; I96-L100 HydrophobicContact CG2-CD1 3.96Å; I96-L100 HydrophobicContact CG2-CG 4.39Å; I96-L100 WeakPolarHBondContact O-CB 3.41Å; I96-L100 WeakPolarHBondContact O-CG 3.37Å; I96-L100 PolarHBondContact O-N 2.92Å
97I95.7Very high94.9Very high88 Ų8889.2 Ų89.245%0.45146%0.462SS..Hα-helixtrans-61.5-45177-69.5170.3000110.6L93 L94 A99 L100 S101L93-I97 HydrophobicContact CD2-CD1 3.52Å; L93-I97 HydrophobicContact CD2-CG1 4.46Å; L93-I97 HydrophobicContact CG-CD1 4.34Å; L93-I97 WeakPolarHBondContact O-CG1 3.22Å; L93-I97 PolarHBondContact O-N 2.95Å; L94-I97 PolarHBondContact O-N 3.45Å; I97-A99 VanDerWaalsContact C-N 3.34Å; I97-A99 PolarHBondContact O-N 3.3Å; I97-L100 PolarHBondContact O-N 2.94Å; I97-S101 WeakPolarHBondContact O-CB 3.36Å; I97-S101 PolarHBondContact O-N 3.44Å
98L95.4Very high94.9Very high39 Ų3992.7 Ų92.720%0.20448%0.48CS..Hα-helixtrans-59.7-45.3176.6-172.3156.3000111.2F65 E68 L72 L94 I95 I96 L100 S101 L102F65-L98 HydrophobicContact CD1-CG 4.22Å; F65-L98 HydrophobicContact CE1-CG 4.47Å; E68-L98 HydrophobicContact CB-CD1 3.93Å; E68-L98 WeakPolarHBondContact OE2-CA 3.42Å; E68-L98 VanDerWaalsContact OE2-CB 3.31Å; E68-L98 WeakPolarHBondContact OE2-CB 3.04Å; E68-L98 VanDerWaalsContact OE2-CG 3.23Å; E68-L98 WeakPolarHBondContact OE2-CG 3.46Å; L72-L98 HydrophobicContact CD1-CD1 4.23Å; L94-L98 PolarHBondContact O-N 2.99Å; I95-L98 PolarHBondContact O-N 3.31Å; I96-L98 VanDerWaalsContact C-N 3.35Å; L98-L100 VanDerWaalsContact C-N 3.34Å; L98-L100 PolarHBondContact O-N 3.45Å; L98-S101 PolarHBondContact O-N 2.86Å; L98-L102 PolarHBondContact O-N 2.9Å
99A95.6Very high94.9Very high54 Ų5494.4 Ų94.445%0.44649%0.486SS..Hα-helixtrans-63.5-38177.100000112.7I95 I96 I97 A103I95-A99 WeakPolarHBondContact O-CB 3.44Å; I95-A99 PolarHBondContact O-N 3.02Å; I96-A99 PolarHBondContact O-N 3.34Å; I97-A99 VanDerWaalsContact C-N 3.34Å; I97-A99 PolarHBondContact O-N 3.3Å; A99-A103 WeakPolarHBondContact O-CB 3.3Å; A99-A103 PolarHBondContact O-N 3.22Å
100L96.3Very high94.8Very high113 Ų11392.7 Ų92.759%0.59248%0.479SS*.Hα-helixtrans-68.5-40.3175.3-73.9171.3000112.1I96 I97 L98 A103 Y104I96-L100 HydrophobicContact CG2-CD1 3.96Å; I96-L100 HydrophobicContact CG2-CG 4.39Å; I96-L100 WeakPolarHBondContact O-CB 3.41Å; I96-L100 WeakPolarHBondContact O-CG 3.37Å; I96-L100 PolarHBondContact O-N 2.92Å; I97-L100 PolarHBondContact O-N 2.94Å; L98-L100 VanDerWaalsContact C-N 3.34Å; L98-L100 PolarHBondContact O-N 3.45Å; L100-A103 PolarHBondContact O-N 3.02Å; L100-Y104 WeakPolarHBondContact O-CB 3.36Å; L100-Y104 PolarHBondContact O-N 3.49Å
101S94.3Very high94.9Very high44 Ų4494.1 Ų94.131%0.30848%0.479SS..Hα-helixtrans-60.1-46.1175.4-178.90000111I97 L98 Y104 E105I97-S101 WeakPolarHBondContact O-CB 3.36Å; I97-S101 PolarHBondContact O-N 3.44Å; L98-S101 PolarHBondContact O-N 2.86Å; S101-Y104 PolarHBondContact O-N 3.39Å; S101-E105 PolarHBondContact O-N 3.29Å
102L94.5Very high94.9Very high90 Ų9098.9 Ų98.947%0.47150%0.502SS..Hα-helixtrans-63.6-43.5174.6-176.368.3000112.4F65 L98 Y104 E105 W106F65-L102 HydrophobicContact CE1-CB 4.48Å; F65-L102 HydrophobicContact CE2-CD1 3.95Å; F65-L102 HydrophobicContact CZ-CB 3.96Å; F65-L102 HydrophobicContact CZ-CD1 4.01Å; L98-L102 PolarHBondContact O-N 2.9Å; L102-Y104 VanDerWaalsContact C-N 3.26Å; L102-Y104 PolarHBondContact O-N 3.29Å; L102-E105 PolarHBondContact O-N 2.97Å; L102-W106 WeakPolarHBondContact O-CB 3.47Å; L102-W106 PolarHBondContact O-N 3.38Å
103A96.4Very high94.8Very high48 Ų48100 Ų10040%0.39751%0.506SS..Hα-helixtrans-62.7-35.3177.200000112.1A99 L100 W106 L107A99-A103 WeakPolarHBondContact O-CB 3.3Å; A99-A103 PolarHBondContact O-N 3.22Å; L100-A103 PolarHBondContact O-N 3.02Å; A103-W106 PolarHBondContact O-N 3.04Å; A103-L107 WeakPolarHBondContact O-CG 3.24Å; A103-L107 PolarHBondContact O-N 3.03Å
104Y94.4Very high94.7Very high191 Ų19199.5 Ų99.575%0.74950%0.502SS*.Hα-helixtrans-70-40.7175.7179.2-100.9000112.5L100 S101 L102 W106L100-Y104 WeakPolarHBondContact O-CB 3.36Å; L100-Y104 PolarHBondContact O-N 3.49Å; S101-Y104 PolarHBondContact O-N 3.39Å; L102-Y104 VanDerWaalsContact C-N 3.26Å; L102-Y104 PolarHBondContact O-N 3.29Å; Y104-W106 VanDerWaalsContact C-N 3.26Å; Y104-W106 PolarHBondContact O-N 3.04Å
105E91.8Very high94.6Very high81 Ų81103.8 Ų103.838%0.37952%0.524SS..Hα-helixtrans-66.1-31.3175.1-169.3-170.4176.800112.1T61 F65 S101 L102T61-E105 VanDerWaalsContact CB-CD 3.44Å; T61-E105 WeakPolarHBondContact CB-OE1 3.47Å; T61-E105 VanDerWaalsContact CB-OE2 3.27Å; T61-E105 WeakPolarHBondContact CB-OE2 3Å; T61-E105 HydrophobicContact CG2-CG 4Å; T61-E105 WeakPolarHBondContact CG2-OE1 3.46Å; T61-E105 WeakPolarHBondContact CG2-OE2 3.49Å; T61-E105 PolarHBondContact OG1-OE1 3.35Å; F65-E105 WeakPolarHBondContact CE2-OE2 3.43Å; S101-E105 PolarHBondContact O-N 3.29Å; L102-E105 PolarHBondContact O-N 2.97Å
106W91.9Very high94.5Very high223 Ų223105.7 Ų105.785%0.84553%0.532SS*.Hα-helixtrans-73.9-31.9-179.1-173.8-81.4000114L102 A103 Y104L102-W106 WeakPolarHBondContact O-CB 3.47Å; L102-W106 PolarHBondContact O-N 3.38Å; A103-W106 PolarHBondContact O-N 3.04Å; Y104-W106 VanDerWaalsContact C-N 3.26Å; Y104-W106 PolarHBondContact O-N 3.04Å
107L90.3Very high94.2Very high199 Ų199106.4 Ų106.4100%1.04254%0.535SS*.  trans-800-177.6-76.4169.3000112.2A103A103-L107 WeakPolarHBondContact O-CG 3.24Å; A103-L107 PolarHBondContact O-N 3.03Å

Retrieved 107 of 107 residues in 56.1 ms (Link to these results)

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