A0A059QS00_HUMAN Loading...

NADH-ubiquinone oxidoreductase chain 3

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

AlphaFold DB , UniProt , Accession A0A059QS00, Species HUMAN (Homo sapiens, Human), Gene ND3, Length 115 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M77.5Confident95.2Very high188 Ų188110 Ų11093%0.92657%0.572SS**  0-49.60-155.4147.776.600112F3 A4 L5M1-F3 PolarHBondContact O-N 3.22Å; M1-A4 PolarHBondContact O-N 3.41Å; M1-L5 HydrophobicContact CG-CD1 4.22Å; M1-L5 WeakPolarHBondContact O-CG 3.44Å; M1-L5 PolarHBondContact O-N 2.7Å
2N94.8Very high95.4Very high124 Ų124110.5 Ų110.566%0.66358%0.575SS**Hα-helixtrans-58.6-42.8-178.2-59.63.7000114.5L5 I6N2-L5 WeakPolarHBondContact O-CB 3.45Å; N2-L5 PolarHBondContact O-N 3.22Å; N2-I6 WeakPolarHBondContact O-CG1 3.48Å; N2-I6 PolarHBondContact O-N 2.95Å
3F95.5Very high95.6Very high152 Ų152110 Ų11067%0.66757%0.572SS**Hα-helixtrans-62.7-44.8177-178.6-107.9000112.6M1 L5 I6 L7M1-F3 PolarHBondContact O-N 3.22Å; F3-L5 VanDerWaalsContact C-N 3.3Å; F3-L5 PolarHBondContact O-N 3.37Å; F3-I6 PolarHBondContact O-N 3.43Å; F3-L7 HydrophobicContact CD1-CD1 3.95Å; F3-L7 HydrophobicContact CE1-CD1 3.39Å; F3-L7 HydrophobicContact CE1-CG 4.13Å; F3-L7 HydrophobicContact CE2-CG 4.48Å; F3-L7 HydrophobicContact CZ-CD1 3.74Å; F3-L7 HydrophobicContact CZ-CD2 4.33Å; F3-L7 HydrophobicContact CZ-CG 4.1Å; F3-L7 PolarHBondContact O-N 2.97Å
4A96.3Very high95.8Very high54 Ų54106.4 Ų106.445%0.44657%0.567SS.*Hα-helixtrans-62.2-38.4175.500000111.7M1 L7 M8M1-A4 PolarHBondContact O-N 3.41Å; A4-L7 PolarHBondContact O-N 3.13Å; A4-M8 WeakPolarHBondContact O-CB 3.48Å; A4-M8 VanDerWaalsContact O-CG 3.23Å; A4-M8 WeakPolarHBondContact O-CG 3.26Å; A4-M8 PolarHBondContact O-N 2.95Å
5L96.9Very high95.9Very high91 Ų91105.5 Ų105.548%0.47656%0.562SS.*Hα-helixtrans-62.8-42.9174.4-71.2169.3000111.9M1 N2 F3 M8 I9M1-L5 HydrophobicContact CG-CD1 4.22Å; M1-L5 WeakPolarHBondContact O-CG 3.44Å; M1-L5 PolarHBondContact O-N 2.7Å; N2-L5 WeakPolarHBondContact O-CB 3.45Å; N2-L5 PolarHBondContact O-N 3.22Å; F3-L5 VanDerWaalsContact C-N 3.3Å; F3-L5 PolarHBondContact O-N 3.37Å; L5-M8 PolarHBondContact O-N 3.33Å; L5-I9 WeakPolarHBondContact O-CD1 3.06Å; L5-I9 VanDerWaalsContact O-CG1 3.24Å; L5-I9 WeakPolarHBondContact O-CG1 3.31Å; L5-I9 PolarHBondContact O-N 2.95Å
6I97.4Very high96Very high93 Ų93104.8 Ų104.848%0.47756%0.557SS.*Hα-helixtrans-61.8-47176.9-67.4163000110.9N2 F3 M8 I9 N10N2-I6 WeakPolarHBondContact O-CG1 3.48Å; N2-I6 PolarHBondContact O-N 2.95Å; F3-I6 PolarHBondContact O-N 3.43Å; I6-M8 VanDerWaalsContact C-N 3.31Å; I6-M8 PolarHBondContact O-N 3.38Å; I6-I9 PolarHBondContact O-N 3.33Å; I6-N10 VanDerWaalsContact O-CG 3.31Å; I6-N10 PolarHBondContact O-N 2.86Å
7L97.5Very high96.1Very high80 Ų80104.2 Ų104.242%0.41955%0.554SS.*Hα-helixtrans-60.7-41.7176.8-71.5178000112F3 A4 N10 N11F3-L7 HydrophobicContact CD1-CD1 3.95Å; F3-L7 HydrophobicContact CE1-CD1 3.39Å; F3-L7 HydrophobicContact CE1-CG 4.13Å; F3-L7 HydrophobicContact CE2-CG 4.48Å; F3-L7 HydrophobicContact CZ-CD1 3.74Å; F3-L7 HydrophobicContact CZ-CD2 4.33Å; F3-L7 HydrophobicContact CZ-CG 4.1Å; F3-L7 PolarHBondContact O-N 2.97Å; A4-L7 PolarHBondContact O-N 3.13Å; L7-N10 PolarHBondContact O-N 2.93Å; L7-N11 WeakPolarHBondContact O-CB 3.33Å; L7-N11 PolarHBondContact O-N 3.48Å; L7-N11 PolarHBondContact O-ND2 3.33Å
8M97.6Very high96.2Very high121 Ų121103.9 Ų103.960%0.59655%0.55SS*.Hα-helixtrans-63.2-45.4176.9-74.8-65.7-175.300111.9A4 L5 I6 N10 N11 L12A4-M8 WeakPolarHBondContact O-CB 3.48Å; A4-M8 VanDerWaalsContact O-CG 3.23Å; A4-M8 WeakPolarHBondContact O-CG 3.26Å; A4-M8 PolarHBondContact O-N 2.95Å; L5-M8 PolarHBondContact O-N 3.33Å; I6-M8 VanDerWaalsContact C-N 3.31Å; I6-M8 PolarHBondContact O-N 3.38Å; M8-N10 PolarHBondContact O-N 3.01Å; M8-N11 PolarHBondContact O-N 3.48Å; M8-L12 WeakPolarHBondContact O-CB 3.29Å; M8-L12 VanDerWaalsContact O-CG 3.26Å; M8-L12 WeakPolarHBondContact O-CG 3.42Å; M8-L12 PolarHBondContact O-N 3.31Å
9I97.7Very high96.2Very high107 Ų107102.6 Ų102.655%0.54954%0.542SS..Hα-helixtrans-61.5-44.6178.4-68.4163.3000110.6L5 I6 L12 L13L5-I9 WeakPolarHBondContact O-CD1 3.06Å; L5-I9 VanDerWaalsContact O-CG1 3.24Å; L5-I9 WeakPolarHBondContact O-CG1 3.31Å; L5-I9 PolarHBondContact O-N 2.95Å; I6-I9 PolarHBondContact O-N 3.33Å; I9-L12 PolarHBondContact O-N 3.39Å; I9-L13 WeakPolarHBondContact O-CB 3.46Å; I9-L13 PolarHBondContact O-N 3Å
10N97.9Very high96.2Very high91 Ų91101.3 Ų101.349%0.48754%0.535SS..Hα-helixtrans-62.9-45179.6-70.9-14000112.2I6 L7 M8 L13 A14I6-N10 VanDerWaalsContact O-CG 3.31Å; I6-N10 PolarHBondContact O-N 2.86Å; L7-N10 PolarHBondContact O-N 2.93Å; M8-N10 PolarHBondContact O-N 3.01Å; N10-L13 PolarHBondContact O-N 2.74Å; N10-A14 PolarHBondContact O-N 3.31Å
11N97.9Very high96.2Very high109 Ų109100.8 Ų100.858%0.58354%0.536SS*.Hα-helixtrans-66.1-40.9178.1-75.4-23.6000111.9L7 M8 L13 A14 L15L7-N11 WeakPolarHBondContact O-CB 3.33Å; L7-N11 PolarHBondContact O-N 3.48Å; L7-N11 PolarHBondContact O-ND2 3.33Å; M8-N11 PolarHBondContact O-N 3.48Å; N11-L13 VanDerWaalsContact C-N 3.35Å; N11-A14 PolarHBondContact O-N 3.2Å; N11-L15 WeakPolarHBondContact O-CB 3.05Å; N11-L15 PolarHBondContact O-N 2.93Å
12L98.1Very high96.9Very high116 Ų11697.9 Ų97.961%0.60752%0.518SS*.Hα-helixtrans-63.7-41175.8-75.7169000111.7M8 I9 L15 L16M8-L12 WeakPolarHBondContact O-CB 3.29Å; M8-L12 VanDerWaalsContact O-CG 3.26Å; M8-L12 WeakPolarHBondContact O-CG 3.42Å; M8-L12 PolarHBondContact O-N 3.31Å; I9-L12 PolarHBondContact O-N 3.39Å; L12-L15 PolarHBondContact O-N 3.17Å; L12-L16 VanDerWaalsContact O-CB 3.23Å; L12-L16 WeakPolarHBondContact O-CB 3.31Å; L12-L16 PolarHBondContact O-N 3.44Å
13L98.1Very high96.8Very high104 Ų104102 Ų10255%0.54553%0.525SS..Hα-helixtrans-62.6-47176.1-168.586.3000111.2I9 N10 N11 L15 L16 L17I9-L13 WeakPolarHBondContact O-CB 3.46Å; I9-L13 PolarHBondContact O-N 3Å; N10-L13 PolarHBondContact O-N 2.74Å; N11-L13 VanDerWaalsContact C-N 3.35Å; L13-L15 VanDerWaalsContact C-N 3.33Å; L13-L15 PolarHBondContact O-N 3.27Å; L13-L16 PolarHBondContact O-N 3.26Å; L13-L17 HydrophobicContact CG-CD1 4.48Å; L13-L17 WeakPolarHBondContact O-CG 3.29Å; L13-L17 PolarHBondContact O-N 3.49Å
14A98.1Very high96.6Very high60 Ų60101.4 Ų101.450%0.49653%0.527SS..Hα-helixtrans-60.4-42.9177.700000111.8N10 N11 L17 M18N10-A14 PolarHBondContact O-N 3.31Å; N11-A14 PolarHBondContact O-N 3.2Å; A14-L17 PolarHBondContact O-N 3.27Å; A14-M18 WeakPolarHBondContact O-CB 3.39Å; A14-M18 PolarHBondContact O-N 2.98Å
15L97.8Very high96.4Very high93 Ų93102.1 Ų102.149%0.48753%0.528SS..Hα-helixtrans-69.5-38.5179.2-163.9142.2000111.8N11 L12 L13 M18 I19N11-L15 WeakPolarHBondContact O-CB 3.05Å; N11-L15 PolarHBondContact O-N 2.93Å; L12-L15 PolarHBondContact O-N 3.17Å; L13-L15 VanDerWaalsContact C-N 3.33Å; L13-L15 PolarHBondContact O-N 3.27Å; L15-M18 PolarHBondContact O-N 2.96Å; L15-I19 HydrophobicContact CD2-CD1 3.51Å; L15-I19 HydrophobicContact CD2-CG1 4.26Å; L15-I19 VanDerWaalsContact O-CG1 3.31Å; L15-I19 WeakPolarHBondContact O-CG1 3.42Å; L15-I19 PolarHBondContact O-N 3.25Å
16L97.8Very high95.8Very high94 Ų94105.9 Ų105.949%0.49254%0.543SS..Hα-helixtrans-63.2-45.3174.7179.6138.5000111.6L12 L13 M18 I19 I20L12-L16 VanDerWaalsContact O-CB 3.23Å; L12-L16 WeakPolarHBondContact O-CB 3.31Å; L12-L16 PolarHBondContact O-N 3.44Å; L13-L16 PolarHBondContact O-N 3.26Å; L16-M18 VanDerWaalsContact C-N 3.33Å; L16-M18 PolarHBondContact O-N 2.98Å; L16-I19 PolarHBondContact O-N 3.25Å; L16-I20 HydrophobicContact CD2-CD1 3.53Å; L16-I20 HydrophobicContact CG-CD1 4.17Å; L16-I20 VanDerWaalsContact O-CG1 3.31Å; L16-I20 WeakPolarHBondContact O-CG1 3.17Å; L16-I20 PolarHBondContact O-N 3.48Å
17L97.5Very high95Very high95 Ų95108.1 Ų108.150%0.49756%0.555SS.*Hα-helixtrans-62-42.4175.1-71.8172.8000111.4L13 A14 I19 I20 T21L13-L17 HydrophobicContact CG-CD1 4.48Å; L13-L17 WeakPolarHBondContact O-CG 3.29Å; L13-L17 PolarHBondContact O-N 3.49Å; A14-L17 PolarHBondContact O-N 3.27Å; L17-I19 PolarHBondContact O-N 3.44Å; L17-I20 PolarHBondContact O-N 2.95Å; L17-T21 WeakPolarHBondContact O-CG2 3.35Å; L17-T21 PolarHBondContact O-N 3.47Å; L17-T21 PolarHBondContact O-OG1 3.42Å
18M96.8Very high94.3Very high98 Ų98107.8 Ų107.848%0.48355%0.553SS.*Hα-helixtrans-58.9-47.6175.6-171.2-123.9-73.500111.4A14 L15 L16 I20 T21 F22A14-M18 WeakPolarHBondContact O-CB 3.39Å; A14-M18 PolarHBondContact O-N 2.98Å; L15-M18 PolarHBondContact O-N 2.96Å; L16-M18 VanDerWaalsContact C-N 3.33Å; L16-M18 PolarHBondContact O-N 2.98Å; M18-I20 PolarHBondContact O-N 3.31Å; M18-T21 WeakPolarHBondContact CA-OG1 3.07Å; M18-T21 PolarHBondContact O-N 3.41Å; M18-T21 PolarHBondContact O-OG1 3.3Å; M18-F22 HydrophobicContact CG-CD2 3.74Å; M18-F22 HydrophobicContact CG-CE2 3.64Å; M18-F22 VanDerWaalsContact O-CD2 3.29Å; M18-F22 WeakPolarHBondContact O-CD2 3.23Å; M18-F22 PolarHBondContact O-N 2.89Å; M18-F22 HydrophobicContact SD-CD2 3.9Å; M18-F22 HydrophobicContact SD-CE2 3.81Å
19I96.5Very high93.7Very high80 Ų80105.8 Ų105.841%0.4156%0.564SS.*Hα-helixtrans-58.5-48.2175.6-68.6168.6000110.5L15 L16 L17 T21 F22 W23L15-I19 HydrophobicContact CD2-CD1 3.51Å; L15-I19 HydrophobicContact CD2-CG1 4.26Å; L15-I19 VanDerWaalsContact O-CG1 3.31Å; L15-I19 WeakPolarHBondContact O-CG1 3.42Å; L15-I19 PolarHBondContact O-N 3.25Å; L16-I19 PolarHBondContact O-N 3.25Å; L17-I19 PolarHBondContact O-N 3.44Å; I19-T21 VanDerWaalsContact C-N 3.28Å; I19-T21 PolarHBondContact O-N 2.92Å; I19-F22 PolarHBondContact O-N 3.38Å; I19-W23 HydrophobicContact CG2-CG 4.37Å; I19-W23 WeakPolarHBondContact O-CB 3.38Å; I19-W23 PolarHBondContact O-N 3.37Å
20I96.5Very high93.2Very high76 Ų76107.4 Ų107.439%0.3957%0.565SS.*Hα-helixtrans-57.7-44.8178.7-67.2167.3000110.5L16 L17 M18 F22 W23 L24L16-I20 HydrophobicContact CD2-CD1 3.53Å; L16-I20 HydrophobicContact CG-CD1 4.17Å; L16-I20 VanDerWaalsContact O-CG1 3.31Å; L16-I20 WeakPolarHBondContact O-CG1 3.17Å; L16-I20 PolarHBondContact O-N 3.48Å; L17-I20 PolarHBondContact O-N 2.95Å; M18-I20 PolarHBondContact O-N 3.31Å; I20-F22 VanDerWaalsContact C-N 3.33Å; I20-F22 PolarHBondContact O-N 3.42Å; I20-W23 PolarHBondContact O-N 2.95Å; I20-L24 HydrophobicContact CG2-CB 4.28Å; I20-L24 HydrophobicContact CG2-CD1 3.75Å; I20-L24 WeakPolarHBondContact O-CB 3.23Å; I20-L24 PolarHBondContact O-N 2.91Å
21T95.3Very high92.5Very high91 Ų91110.2 Ų110.256%0.55858%0.576SS**Hα-helixtrans-66.5-30.6179.956.80000114.1L17 M18 I19 P25L17-T21 WeakPolarHBondContact O-CG2 3.35Å; L17-T21 PolarHBondContact O-N 3.47Å; L17-T21 PolarHBondContact O-OG1 3.42Å; M18-T21 WeakPolarHBondContact CA-OG1 3.07Å; M18-T21 PolarHBondContact O-N 3.41Å; M18-T21 PolarHBondContact O-OG1 3.3Å; I19-T21 VanDerWaalsContact C-N 3.28Å; I19-T21 PolarHBondContact O-N 2.92Å; T21-P25 WeakPolarHBondContact O-CD 3.48Å; T21-P25 WeakPolarHBondContact O-CG 3.4Å
22F92.3Very high91.9Very high126 Ų126112.1 Ų112.155%0.55358%0.582SS**Hα-helixtrans-80.6-33.8177.2-85.5-71.1000113.3M18 I19 I20M18-F22 HydrophobicContact CG-CD2 3.74Å; M18-F22 HydrophobicContact CG-CE2 3.64Å; M18-F22 VanDerWaalsContact O-CD2 3.29Å; M18-F22 WeakPolarHBondContact O-CD2 3.23Å; M18-F22 PolarHBondContact O-N 2.89Å; M18-F22 HydrophobicContact SD-CD2 3.9Å; M18-F22 HydrophobicContact SD-CE2 3.81Å; I19-F22 PolarHBondContact O-N 3.38Å; I20-F22 VanDerWaalsContact C-N 3.33Å; I20-F22 PolarHBondContact O-N 3.42Å
23W92.7Very high91.3Very high212 Ų212113.5 Ų113.580%0.80358%0.583SS**Hα-helixtrans-101.9-22.3-169.4-69.183.7000114.5I19 I20I19-W23 HydrophobicContact CG2-CG 4.37Å; I19-W23 WeakPolarHBondContact O-CB 3.38Å; I19-W23 PolarHBondContact O-N 3.37Å; I20-W23 PolarHBondContact O-N 2.95Å
24L92.8Very high90.8Very high138 Ų138112.8 Ų112.872%0.72359%0.587SS**SBendtrans-78.8-38.5-178.7-159.5151.3000113.4I20I20-L24 HydrophobicContact CG2-CB 4.28Å; I20-L24 HydrophobicContact CG2-CD1 3.75Å; I20-L24 WeakPolarHBondContact O-CB 3.23Å; I20-L24 PolarHBondContact O-N 2.91Å
25P90.8Very high90.3Very high69 Ų69113 Ų11345%0.44858%0.582SS.*SBendtrans-72.5149.7177.6-18.233.1000113.2T21 L27T21-P25 WeakPolarHBondContact O-CD 3.48Å; T21-P25 WeakPolarHBondContact O-CG 3.4Å; P25-L27 PolarHBondContact O-N 3.48Å
26Q84.1Confident89.9Confident170 Ų170112.7 Ų112.779%0.79459%0.586SS**  trans-76.3114.9172.3-169.6170.9-18.200110.8N28Q26-N28 PolarHBondContact O-N 3.44Å
27L81.9Confident89.3Confident140 Ų140117.6 Ų117.673%0.73360%0.599SS**  trans-89.495.8-178.1-63.4170.2000110.9P25P25-L27 PolarHBondContact O-N 3.48Å
28N83.4Confident88.9Confident73 Ų73116.7 Ų116.739%0.3959%0.592SS.*  trans-98.196.1167.9-70.60.4000109.5Q26 Y30 K33Q26-N28 PolarHBondContact O-N 3.44Å; N28-Y30 HydrophobicContact CB-CD2 4.43Å; N28-Y30 HydrophobicContact CB-CE2 3.77Å; N28-Y30 PolarHBondContact O-N 3.41Å; N28-K33 WeakPolarHBondContact O-CD 3.45Å
29G83.3Confident88.5Confident80 Ų80116.7 Ų116.783%0.82560%0.601SS**  trans-82.8102.2179.400000112.4
30Y87.8Confident88Confident141 Ų141116 Ų11655%0.55361%0.613SS**  trans-107.5151.3167.5-56.1-72.8000108.9N28 E32 K33 S34N28-Y30 HydrophobicContact CB-CD2 4.43Å; N28-Y30 HydrophobicContact CB-CE2 3.77Å; N28-Y30 PolarHBondContact O-N 3.41Å; Y30-E32 PolarHBondContact O-N 3.12Å; Y30-K33 HydrophobicContact CD2-CD 4.07Å; Y30-K33 PolarHBondContact O-N 3.04Å; Y30-S34 PolarHBondContact O-N 2.96Å
31M84.3Confident87.5Confident149 Ų149119.8 Ų119.873%0.73463%0.627SS**Hα-helixtrans-51.5-44.6179.4-72.2-62.5-63.700112.1K33 S34 T35M31-K33 VanDerWaalsContact C-N 3.25Å; M31-K33 PolarHBondContact O-N 3.4Å; M31-S34 WeakPolarHBondContact CA-OG 3.47Å; M31-S34 CarbonylContact O-C 3.59Å; M31-S34 WeakPolarHBondContact O-CA 3.39Å; M31-S34 PolarHBondContact O-N 3Å; M31-S34 PolarHBondContact O-OG 3.37Å; M31-T35 PolarHBondContact O-N 2.98Å; M31-T35 VanDerWaalsContact O-N 3.13Å
32E83.6Confident87.1Confident149 Ų149121.7 Ų121.770%0.69663%0.634SS**Hα-helixtrans-64.9-20.6178.8-56.8-58.816300115.1Y30 T35Y30-E32 PolarHBondContact O-N 3.12Å; E32-T35 PolarHBondContact O-OG1 3.48Å
33K85.8Confident86.8Confident145 Ų145118.6 Ų118.663%0.6363%0.626SS**Hα-helixtrans-85.8-15.1173.2-69.7-174.3179.2178.70112.4N28 Y30 M31N28-K33 WeakPolarHBondContact O-CD 3.45Å; Y30-K33 HydrophobicContact CD2-CD 4.07Å; Y30-K33 PolarHBondContact O-N 3.04Å; M31-K33 VanDerWaalsContact C-N 3.25Å; M31-K33 PolarHBondContact O-N 3.4Å
34S87.6Confident86.3Confident89 Ų89116.6 Ų116.662%0.62263%0.628SS**Hα-helixtrans-101.3-7.6179.863.30000113.4Y30 M31Y30-S34 PolarHBondContact O-N 2.96Å; M31-S34 WeakPolarHBondContact CA-OG 3.47Å; M31-S34 CarbonylContact O-C 3.59Å; M31-S34 WeakPolarHBondContact O-CA 3.39Å; M31-S34 PolarHBondContact O-N 3Å; M31-S34 PolarHBondContact O-OG 3.37Å
35T87.7Confident85.9Confident65 Ų65113.2 Ų113.240%0.39962%0.616SS.*SBendtrans-76.2150.2173.246.60000111M31 E32M31-T35 PolarHBondContact O-N 2.98Å; M31-T35 VanDerWaalsContact O-N 3.13Å; E32-T35 PolarHBondContact O-OG1 3.48Å
36P88.6Confident85.5Confident87 Ų87114.8 Ų114.857%0.56563%0.626SS**  trans-65.7140.317729.1-35.5000110.7P43P36-P43 HydrophobicContact CG-CB 4.41Å; P36-P43 HydrophobicContact CG-CG 3.84Å
37Y86.8Confident85.3Confident196 Ų196111.7 Ų111.777%0.76963%0.629SS**  trans-87.2113.5178.8179.4-97.3000111.1
38E88.6Confident85.3Confident77 Ų77116.4 Ų116.436%0.3664%0.637SS.*BIsolated β-bridgetrans-118.268.2171.6-165.3168146.600110G40 F41 P43 M44E38-G40 PolarHBondContact O-N 3.23Å; E38-G40 VanDerWaalsContact O-N 3.12Å; E38-F41 PolarHBondContact O-N 3.03Å; E38-P43 WeakPolarHBondContact OE2-CA 3.49Å; E38-P43 VanDerWaalsContact OE2-CB 3.29Å; E38-P43 WeakPolarHBondContact OE2-CB 3.24Å; E38-M44 PolarHBondContact OE2-N 2.97Å
39C87.4Confident85Confident98 Ų98117.5 Ų117.566%0.66265%0.647SS**THydrogen-bonded Turntrans57.128.9178.9-61.90000114.6
40G86.3Confident84.8Confident64 Ų64119.8 Ų119.866%0.6665%0.647SS**THydrogen-bonded Turntrans87.16.7-17800000114.9E38E38-G40 PolarHBondContact O-N 3.23Å; E38-G40 VanDerWaalsContact O-N 3.12Å
41F85.8Confident84.2Confident156 Ų156119.9 Ų119.968%0.68465%0.65SS**BIsolated β-bridgetrans-109.3159173.1-61.8-82.9000111.4E38E38-F41 PolarHBondContact O-N 3.03Å
42D87.8Confident84.2Confident131 Ų131115.1 Ų115.170%0.70163%0.632SS**  trans-66.6142168.5-70.7-35.7000110M44D42-M44 PolarHBondContact O-N 3.21Å
43P86.3Confident84.2Confident61 Ų61114.9 Ų114.940%0.39663%0.633SS.*  trans-65.3126.2-173.727.1-36.7000112.1P36 E38 S45P36-P43 HydrophobicContact CG-CB 4.41Å; P36-P43 HydrophobicContact CG-CG 3.84Å; E38-P43 WeakPolarHBondContact OE2-CA 3.49Å; E38-P43 VanDerWaalsContact OE2-CB 3.29Å; E38-P43 WeakPolarHBondContact OE2-CB 3.24Å; P43-S45 VanDerWaalsContact C-N 3.33Å
44M82.6Confident84.1Confident170 Ų170112.2 Ų112.284%0.83762%0.621SS**SBendtrans-76.5-24.1-177.3-70.4-67.6-154.400112.6E38 D42E38-M44 PolarHBondContact OE2-N 2.97Å; D42-M44 PolarHBondContact O-N 3.21Å
45S82.4Confident83.9Confident68 Ų68113.4 Ų113.448%0.47662%0.615SS.*SBendtrans-149.6157.2-179.869.20000110.4P43 A47P43-S45 VanDerWaalsContact C-N 3.33Å; S45-A47 PolarHBondContact O-N 2.97Å
46P82.6Confident83.9Confident102 Ų102115.5 Ų115.566%0.66262%0.619SS**  trans-62.6138.6173.327-34.7000110.5R48P46-R48 PolarHBondContact O-N 3.25Å
47A80.8Confident84Confident104 Ų104114.6 Ų114.686%0.8661%0.609SS**SBendtrans-59.6-15.7177.300000114.2S45 V49S45-A47 PolarHBondContact O-N 2.97Å; A47-V49 PolarHBondContact O-N 3.41Å
48R81Confident84.2Confident239 Ų239107.7 Ų107.790%0.90259%0.587SS**  trans-87.485.3173.2-65.2-171.5-175.8-169.62.3109.7P46P46-R48 PolarHBondContact O-N 3.25Å
49V78.4Confident84.4Confident97 Ų97106.6 Ų106.659%0.58859%0.591SS**PPolyproline II helixtrans-90.5154.7173-69.60000111.2A47 F51A47-V49 PolarHBondContact O-N 3.41Å; V49-F51 PolarHBondContact O-N 3Å
50P78.8Confident84.6Confident128 Ų128105.5 Ų105.583%0.83158%0.578SS**PPolyproline II helixtrans-54.8128171.722.9-33.1000110.1
51F75.9Confident84.9Confident142 Ų142103.5 Ų103.562%0.62355%0.553SS**PPolyproline II helixtrans-76.7146.7-175.6-172.3-109.9000111.1V49 M53 F55 F56V49-F51 PolarHBondContact O-N 3Å; F51-M53 PolarHBondContact O-N 3.44Å; F51-F55 HydrophobicContact CD1-CB 4.44Å; F51-F55 HydrophobicContact CE1-CB 3.39Å; F51-F55 HydrophobicContact CE1-CG 4.44Å; F51-F55 HydrophobicContact CE2-CB 4.11Å; F51-F55 HydrophobicContact CE2-CD2 4.02Å; F51-F55 HydrophobicContact CE2-CG 4.43Å; F51-F55 HydrophobicContact CZ-CB 3.19Å; F51-F55 AromaticContact CZ-CD2 3.95Å; F51-F55 HydrophobicContact CZ-CD2 3.95Å; F51-F55 AromaticContact CZ-CG 3.92Å; F51-F55 HydrophobicContact CZ-CG 3.92Å; F51-F56 HydrophobicContact CE1-CB 4.34Å
52S83.2Confident85.4Confident49 Ų49102.8 Ų102.834%0.34355%0.55SS..PPolyproline II helixtrans-71.5132.7178.788.40000110.4K54 F55S52-K54 PolarHBondContact O-N 3.15Å; S52-F55 PolarHBondContact O-N 3.5Å; S52-F55 WeakPolarHBondContact OG-CD2 3.5Å; S52-F55 WeakPolarHBondContact OG-CE2 3.35Å
53M82.9Confident85.7Confident145 Ų145101.4 Ų101.471%0.71454%0.542SS*.Hα-helixtrans-63.5-22.3178.1-68.1-63.6-74.900112.6F51 F56 L57F51-M53 PolarHBondContact O-N 3.44Å; M53-F56 HydrophobicContact CE-CD1 4.43Å; M53-F56 WeakPolarHBondContact O-CB 3.47Å; M53-F56 PolarHBondContact O-N 3.13Å; M53-L57 PolarHBondContact O-N 3.2Å
54K83.9Confident86.2Confident89 Ų89102.8 Ų102.839%0.38755%0.545SS..Hα-helixtrans-64.5-46.2178.6-63.1-171.3-179.5-170.90111.6S52 F56 L57 V58 D112 T114S52-K54 PolarHBondContact O-N 3.15Å; K54-F56 PolarHBondContact O-N 3.08Å; K54-L57 PolarHBondContact O-N 3.36Å; K54-V58 WeakPolarHBondContact O-CG2 3.48Å; K54-V58 PolarHBondContact O-N 3.07Å; K54-V58 VanDerWaalsContact O-N 3.13Å; K54-D112 PolarHBondContact NZ-O 3.49Å; K54-T114 PolarHBondContact NZ-O 3Å; K54-T114 PolarHBondContact NZ-OG1 3.17Å
55F84.6Confident86.8Confident114 Ų11496.7 Ų96.750%0.551%0.514SS..Hα-helixtrans-65.7-31.4176.7-68.1-53.2000112.3F51 S52 A59F51-F55 HydrophobicContact CD1-CB 4.44Å; F51-F55 HydrophobicContact CE1-CB 3.39Å; F51-F55 HydrophobicContact CE1-CG 4.44Å; F51-F55 HydrophobicContact CE2-CB 4.11Å; F51-F55 HydrophobicContact CE2-CD2 4.02Å; F51-F55 HydrophobicContact CE2-CG 4.43Å; F51-F55 HydrophobicContact CZ-CB 3.19Å; F51-F55 AromaticContact CZ-CD2 3.95Å; F51-F55 HydrophobicContact CZ-CD2 3.95Å; F51-F55 AromaticContact CZ-CG 3.92Å; F51-F55 HydrophobicContact CZ-CG 3.92Å; S52-F55 PolarHBondContact O-N 3.5Å; S52-F55 WeakPolarHBondContact OG-CD2 3.5Å; S52-F55 WeakPolarHBondContact OG-CE2 3.35Å; F55-A59 PolarHBondContact O-N 3.02Å; F55-A59 VanDerWaalsContact O-N 3.08Å
56F87.9Confident87.5Confident108 Ų10897.7 Ų97.747%0.47451%0.514SS..Hα-helixtrans-66.3-41.3174.2176.8-105.2000112F51 M53 K54 A59 I60F51-F56 HydrophobicContact CE1-CB 4.34Å; M53-F56 HydrophobicContact CE-CD1 4.43Å; M53-F56 WeakPolarHBondContact O-CB 3.47Å; M53-F56 PolarHBondContact O-N 3.13Å; K54-F56 PolarHBondContact O-N 3.08Å; F56-A59 WeakPolarHBondContact O-CB 3.48Å; F56-A59 PolarHBondContact O-N 3.36Å; F56-I60 HydrophobicContact CD1-CD1 3.96Å; F56-I60 HydrophobicContact CE1-CD1 3.33Å; F56-I60 HydrophobicContact CE1-CG1 4.34Å; F56-I60 HydrophobicContact CE2-CD1 4.25Å; F56-I60 HydrophobicContact CZ-CD1 3.51Å; F56-I60 HydrophobicContact CZ-CG1 4.22Å; F56-I60 PolarHBondContact O-N 3.13Å; F56-I60 VanDerWaalsContact O-N 3.13Å
57L89.3Confident88.1Confident68 Ų6897.8 Ų97.836%0.35651%0.509SS..Hα-helixtrans-61.5-45.1176.4-166.5152.8000111.2M53 K54 A59 I60 T61 E105M53-L57 PolarHBondContact O-N 3.2Å; K54-L57 PolarHBondContact O-N 3.36Å; L57-A59 VanDerWaalsContact C-N 3.29Å; L57-A59 PolarHBondContact O-N 3.31Å; L57-I60 PolarHBondContact O-N 3.36Å; L57-I60 VanDerWaalsContact O-N 3.17Å; L57-T61 HydrophobicContact CD2-CG2 4.14Å; L57-T61 WeakPolarHBondContact O-CG2 3.48Å; L57-T61 PolarHBondContact O-N 3.35Å; L57-T61 PolarHBondContact O-OG1 3.32Å; L57-E105 HydrophobicContact CD2-CG 4.43Å; L57-E105 WeakPolarHBondContact CD2-OE1 3.44Å
58V90.9Very high88.8Confident52 Ų5294.9 Ų94.932%0.31548%0.477SS..Hα-helixtrans-59.6-38.4174.8175.30000112K54 I60 T61 F62K54-V58 WeakPolarHBondContact O-CG2 3.48Å; K54-V58 PolarHBondContact O-N 3.07Å; K54-V58 VanDerWaalsContact O-N 3.13Å; V58-I60 PolarHBondContact O-N 3.19Å; V58-T61 PolarHBondContact O-N 3.14Å; V58-T61 PolarHBondContact O-OG1 3.2Å; V58-F62 VanDerWaalsContact O-CB 3.29Å; V58-F62 WeakPolarHBondContact O-CB 3.45Å; V58-F62 PolarHBondContact O-N 3.19Å
59A92.6Very high89.5Confident53 Ų5387.9 Ų87.944%0.43846%0.457SS..Hα-helixtrans-65.7-37.6177.700000112.5F55 F56 L57 L63F55-A59 PolarHBondContact O-N 3.02Å; F55-A59 VanDerWaalsContact O-N 3.08Å; F56-A59 WeakPolarHBondContact O-CB 3.48Å; F56-A59 PolarHBondContact O-N 3.36Å; L57-A59 VanDerWaalsContact C-N 3.29Å; L57-A59 PolarHBondContact O-N 3.31Å; A59-L63 WeakPolarHBondContact O-CB 3.48Å; A59-L63 PolarHBondContact O-N 3.46Å
60I93.3Very high90.4Very high75 Ų7586.1 Ų86.139%0.38545%0.452SS..Hα-helixtrans-67.3-44.5175.3-68.1171.9000110.5F56 L57 V58 L63 L64F56-I60 HydrophobicContact CD1-CD1 3.96Å; F56-I60 HydrophobicContact CE1-CD1 3.33Å; F56-I60 HydrophobicContact CE1-CG1 4.34Å; F56-I60 HydrophobicContact CE2-CD1 4.25Å; F56-I60 HydrophobicContact CZ-CD1 3.51Å; F56-I60 HydrophobicContact CZ-CG1 4.22Å; F56-I60 PolarHBondContact O-N 3.13Å; F56-I60 VanDerWaalsContact O-N 3.13Å; L57-I60 PolarHBondContact O-N 3.36Å; L57-I60 VanDerWaalsContact O-N 3.17Å; V58-I60 PolarHBondContact O-N 3.19Å; I60-L63 WeakPolarHBondContact O-CB 3.42Å; I60-L63 PolarHBondContact O-N 3.29Å; I60-L63 VanDerWaalsContact O-N 3.15Å; I60-L64 HydrophobicContact CG2-CD1 4.26Å; I60-L64 WeakPolarHBondContact O-CG 3.46Å; I60-L64 PolarHBondContact O-N 2.91Å
61T92.8Very high91.2Very high23 Ų2385.5 Ų85.514%0.14144%0.441CS..Hα-helixtrans-70.9-34.4-177.658.10000112L57 V58 L63 L64 F65 E105L57-T61 HydrophobicContact CD2-CG2 4.14Å; L57-T61 WeakPolarHBondContact O-CG2 3.48Å; L57-T61 PolarHBondContact O-N 3.35Å; L57-T61 PolarHBondContact O-OG1 3.32Å; V58-T61 PolarHBondContact O-N 3.14Å; V58-T61 PolarHBondContact O-OG1 3.2Å; T61-L63 PolarHBondContact O-N 3.23Å; T61-L64 PolarHBondContact O-N 3.42Å; T61-F65 WeakPolarHBondContact O-CD2 2.88Å; T61-F65 WeakPolarHBondContact O-CG 3.49Å; T61-F65 PolarHBondContact O-N 3.45Å; T61-E105 WeakPolarHBondContact CB-OE1 3.34Å; T61-E105 WeakPolarHBondContact CB-OE2 3.5Å; T61-E105 HydrophobicContact CG2-CG 4.38Å; T61-E105 WeakPolarHBondContact CG2-OE1 3.39Å; T61-E105 VanDerWaalsContact CG2-OE2 3.3Å; T61-E105 WeakPolarHBondContact CG2-OE2 3.41Å; T61-E105 PolarHBondContact OG1-OE1 2.95Å
62F94.7Very high92.1Very high141 Ų14180.4 Ų80.462%0.61842%0.421SS*.Hα-helixtrans-56.1-47.8165.2172.4-102.3000112.5V58 L64 F65 D66V58-F62 VanDerWaalsContact O-CB 3.29Å; V58-F62 WeakPolarHBondContact O-CB 3.45Å; V58-F62 PolarHBondContact O-N 3.19Å; F62-L64 PolarHBondContact O-N 3.16Å; F62-F65 PolarHBondContact O-N 3.25Å; F62-D66 WeakPolarHBondContact O-CB 3.47Å; F62-D66 PolarHBondContact O-N 2.89Å
63L95.8Very high92.8Very high101 Ų10183.5 Ų83.553%0.52943%0.433SS..Hα-helixtrans-61.9-42.6-179.8-176.2153.2000112A59 I60 T61 D66 L67A59-L63 WeakPolarHBondContact O-CB 3.48Å; A59-L63 PolarHBondContact O-N 3.46Å; I60-L63 WeakPolarHBondContact O-CB 3.42Å; I60-L63 PolarHBondContact O-N 3.29Å; I60-L63 VanDerWaalsContact O-N 3.15Å; T61-L63 PolarHBondContact O-N 3.23Å; L63-D66 PolarHBondContact O-N 2.85Å; L63-L67 HydrophobicContact CD2-CD1 4.01Å; L63-L67 WeakPolarHBondContact O-CG 3.37Å; L63-L67 PolarHBondContact O-N 2.98Å
64L95.3Very high93.3Very high90 Ų9079.4 Ų79.447%0.47142%0.417SS..Hα-helixtrans-65.3-44.9177.7-68.2175.4000111.5I60 T61 F62 D66 L67 E68I60-L64 HydrophobicContact CG2-CD1 4.26Å; I60-L64 WeakPolarHBondContact O-CG 3.46Å; I60-L64 PolarHBondContact O-N 2.91Å; T61-L64 PolarHBondContact O-N 3.42Å; F62-L64 PolarHBondContact O-N 3.16Å; L64-D66 VanDerWaalsContact C-N 3.33Å; L64-D66 PolarHBondContact O-N 3.35Å; L64-L67 WeakPolarHBondContact O-CB 3.29Å; L64-L67 PolarHBondContact O-N 3.39Å; L64-E68 PolarHBondContact O-N 3.02Å; L64-E68 VanDerWaalsContact O-N 3.16Å
65F95.6Very high93.8Very high43 Ų4377.6 Ų77.619%0.18941%0.411CS..Hα-helixtrans-65.6-34.2176.6-67.7-28.8000113.2T61 F62 L67 E68 I69 L98 S101 L102T61-F65 WeakPolarHBondContact O-CD2 2.88Å; T61-F65 WeakPolarHBondContact O-CG 3.49Å; T61-F65 PolarHBondContact O-N 3.45Å; F62-F65 PolarHBondContact O-N 3.25Å; F65-L67 VanDerWaalsContact C-N 3.32Å; F65-L67 PolarHBondContact O-N 2.89Å; F65-E68 PolarHBondContact O-N 3.39Å; F65-I69 WeakPolarHBondContact O-CB 3.5Å; F65-I69 VanDerWaalsContact O-CG1 3.25Å; F65-I69 WeakPolarHBondContact O-CG1 3.41Å; F65-I69 PolarHBondContact O-N 3.45Å; F65-L98 HydrophobicContact CD1-CG 4.21Å; F65-L98 HydrophobicContact CE1-CG 4.4Å; F65-S101 WeakPolarHBondContact CE1-OG 3.25Å; F65-L102 HydrophobicContact CE2-CD1 3.83Å; F65-L102 HydrophobicContact CZ-CB 3.93Å; F65-L102 HydrophobicContact CZ-CD1 3.88Å
66D96.9Very high94.3Very high88 Ų8876.2 Ų76.247%0.47141%0.414SS..Hα-helixtrans-64-38.4176.1-165.134000111.5F62 L63 L64 I69 A70F62-D66 WeakPolarHBondContact O-CB 3.47Å; F62-D66 PolarHBondContact O-N 2.89Å; L63-D66 PolarHBondContact O-N 2.85Å; L64-D66 VanDerWaalsContact C-N 3.33Å; L64-D66 PolarHBondContact O-N 3.35Å; D66-I69 PolarHBondContact O-N 3.45Å; D66-A70 WeakPolarHBondContact O-CB 3.38Å; D66-A70 PolarHBondContact O-N 3.45Å
67L96.4Very high94.6Very high105 Ų10579.8 Ų79.855%0.5542%0.424SS..Hα-helixtrans-63.7-42.3172.9-69.2173.9000112.3L63 L64 F65 A70 L71L63-L67 HydrophobicContact CD2-CD1 4.01Å; L63-L67 WeakPolarHBondContact O-CG 3.37Å; L63-L67 PolarHBondContact O-N 2.98Å; L64-L67 WeakPolarHBondContact O-CB 3.29Å; L64-L67 PolarHBondContact O-N 3.39Å; F65-L67 VanDerWaalsContact C-N 3.32Å; F65-L67 PolarHBondContact O-N 2.89Å; L67-A70 WeakPolarHBondContact O-CB 2.98Å; L67-A70 PolarHBondContact O-N 3.18Å; L67-L71 WeakPolarHBondContact O-CG 3.21Å; L67-L71 PolarHBondContact O-N 2.93Å; L67-L71 VanDerWaalsContact O-N 3.14Å
68E94.9Very high94.8Very high43 Ų4377.7 Ų77.720%0.20142%0.417CS..Hα-helixtrans-68.6-37.3177.6-67.6-176.3171.900112.2L64 F65 A70 L71 L72 L94 L98L64-E68 PolarHBondContact O-N 3.02Å; L64-E68 VanDerWaalsContact O-N 3.16Å; F65-E68 PolarHBondContact O-N 3.39Å; E68-A70 VanDerWaalsContact C-N 3.34Å; E68-L71 WeakPolarHBondContact O-CB 3.45Å; E68-L71 PolarHBondContact O-N 3.03Å; E68-L72 PolarHBondContact O-N 3.1Å; E68-L72 VanDerWaalsContact O-N 3.09Å; E68-L94 HydrophobicContact CB-CD2 4.38Å; E68-L98 HydrophobicContact CB-CD1 4Å; E68-L98 WeakPolarHBondContact OE2-CA 3.47Å; E68-L98 WeakPolarHBondContact OE2-CB 3.32Å; E68-L98 WeakPolarHBondContact OE2-CD1 3.34Å; E68-L98 WeakPolarHBondContact OE2-CG 3.35Å
69I96.1Very high94.9Very high92 Ų9280.5 Ų80.547%0.47243%0.429SS..Hα-helixtrans-63.9-41172.8-70162.9000110.6F65 D66 L71 L72 L73F65-I69 WeakPolarHBondContact O-CB 3.5Å; F65-I69 VanDerWaalsContact O-CG1 3.25Å; F65-I69 WeakPolarHBondContact O-CG1 3.41Å; F65-I69 PolarHBondContact O-N 3.45Å; D66-I69 PolarHBondContact O-N 3.45Å; I69-L71 PolarHBondContact O-N 3.25Å; I69-L72 CarbonylContact O-C 3.57Å; I69-L72 PolarHBondContact O-N 3Å; I69-L73 PolarHBondContact O-N 2.91Å
70A96.9Very high94.9Very high59 Ų5985.9 Ų85.949%0.48845%0.445SS..Hα-helixtrans-59.8-35174.700000112.1D66 L67 E68 P74D66-A70 WeakPolarHBondContact O-CB 3.38Å; D66-A70 PolarHBondContact O-N 3.45Å; L67-A70 WeakPolarHBondContact O-CB 2.98Å; L67-A70 PolarHBondContact O-N 3.18Å; E68-A70 VanDerWaalsContact C-N 3.34Å; A70-P74 WeakPolarHBondContact O-CD 3.36Å
71L95.2Very high94.9Very high116 Ų11685.3 Ų85.361%0.60745%0.446SS*.Hα-helixtrans-70.6-28.9173.1-66.9172.4000113.3L67 E68 I69 P74 L94L67-L71 WeakPolarHBondContact O-CG 3.21Å; L67-L71 PolarHBondContact O-N 2.93Å; L67-L71 VanDerWaalsContact O-N 3.14Å; E68-L71 WeakPolarHBondContact O-CB 3.45Å; E68-L71 PolarHBondContact O-N 3.03Å; I69-L71 PolarHBondContact O-N 3.25Å; L71-P74 WeakPolarHBondContact O-CD 3.47Å; L71-L94 HydrophobicContact CB-CD1 3.87Å; L71-L94 HydrophobicContact CD1-CD1 4.47Å
72L95.7Very high94.9Very high35 Ų3590.8 Ų90.818%0.18348%0.479CS..Hα-helixtrans-82.4-22.7175.8-70170.9000113.5E68 I69 P74 L75 L94 I95 L98E68-L72 PolarHBondContact O-N 3.1Å; E68-L72 VanDerWaalsContact O-N 3.09Å; I69-L72 CarbonylContact O-C 3.57Å; I69-L72 PolarHBondContact O-N 3Å; L72-P74 VanDerWaalsContact C-CD 3.43Å; L72-L75 HydrophobicContact CB-CD1 4.21Å; L72-L75 HydrophobicContact CD2-CD1 3.62Å; L72-L75 HydrophobicContact CD2-CG 4.45Å; L72-L75 VanDerWaalsContact O-CB 3.29Å; L72-L75 WeakPolarHBondContact O-CB 3.3Å; L72-L75 WeakPolarHBondContact O-CD1 3.16Å; L72-L75 WeakPolarHBondContact O-CG 3.34Å; L72-L75 PolarHBondContact O-N 3.23Å; L72-L75 VanDerWaalsContact O-N 3.11Å; L72-L94 HydrophobicContact CD1-CD2 4.05Å; L72-L94 HydrophobicContact CD2-CB 4.32Å; L72-L94 HydrophobicContact CD2-CD1 4.22Å; L72-L94 HydrophobicContact CD2-CD2 3.89Å; L72-L94 HydrophobicContact CD2-CG 4.36Å; L72-L94 HydrophobicContact CG-CD1 4.47Å; L72-L94 HydrophobicContact CG-CD2 3.77Å; L72-I95 HydrophobicContact CD1-CG1 4.3Å; L72-I95 HydrophobicContact CD2-CG1 4.05Å; L72-L98 HydrophobicContact CD1-CD1 4.46Å
73L96.6Very high94.9Very high114 Ų11488.8 Ų88.860%0.59748%0.475SS*.THydrogen-bonded Turntrans-53.2-39.6-179.6-161.8151000115.2I69 L75 P76 W77I69-L73 PolarHBondContact O-N 2.91Å; L73-L75 PolarHBondContact O-N 3.11Å; L73-P76 WeakPolarHBondContact O-CD 3.33Å; L73-W77 HydrophobicContact CD2-CZ3 4.46Å
74P94.6Very high94.8Very high58 Ų5888 Ų8838%0.37747%0.471SS..THydrogen-bonded Turntrans-75.10.7179.329.7-36.6000115.2A70 L71 L72 P76 W77 A78A70-P74 WeakPolarHBondContact O-CD 3.36Å; L71-P74 WeakPolarHBondContact O-CD 3.47Å; L72-P74 VanDerWaalsContact C-CD 3.43Å; P74-P76 VanDerWaalsContact C-CD 3.45Å; P74-W77 HydrophobicContact CB-CE3 4.06Å; P74-W77 PolarHBondContact O-N 3.01Å; P74-W77 VanDerWaalsContact O-N 3.1Å; P74-A78 PolarHBondContact O-N 3.32Å
75L94.4Very high94.7Very high51 Ų5188.5 Ų88.527%0.26748%0.479SS..Hα-helixtrans-54.6-40.5-178.8-74.8176000115.1L72 L73 W77 A78 L79 M87 S91L72-L75 HydrophobicContact CB-CD1 4.21Å; L72-L75 HydrophobicContact CD2-CD1 3.62Å; L72-L75 HydrophobicContact CD2-CG 4.45Å; L72-L75 VanDerWaalsContact O-CB 3.29Å; L72-L75 WeakPolarHBondContact O-CB 3.3Å; L72-L75 WeakPolarHBondContact O-CD1 3.16Å; L72-L75 WeakPolarHBondContact O-CG 3.34Å; L72-L75 PolarHBondContact O-N 3.23Å; L72-L75 VanDerWaalsContact O-N 3.11Å; L73-L75 PolarHBondContact O-N 3.11Å; L75-W77 PolarHBondContact O-N 3.09Å; L75-A78 WeakPolarHBondContact O-CB 3.12Å; L75-A78 PolarHBondContact O-N 3.01Å; L75-L79 PolarHBondContact O-N 3.4Å; L75-L79 VanDerWaalsContact O-N 3.15Å; L75-M87 HydrophobicContact CD2-SD 4.49Å; L75-S91 VanDerWaalsContact CD2-CB 3.46Å
76P94.3Very high94.7Very high86 Ų8692.1 Ų92.156%0.55850%0.5SS*.Hα-helixtrans-59-34.7177.3-25.736.5000113.2L73 P74L73-P76 WeakPolarHBondContact O-CD 3.33Å; P74-P76 VanDerWaalsContact C-CD 3.45Å
77W94.3Very high94.6Very high182 Ų18288.8 Ų88.869%0.68948%0.482SS*.Hα-helixtrans-77.4-35.1174.4-59.3-45.9000111.8L73 P74 L75 L79 Q80L73-W77 HydrophobicContact CD2-CZ3 4.46Å; P74-W77 HydrophobicContact CB-CE3 4.06Å; P74-W77 PolarHBondContact O-N 3.01Å; P74-W77 VanDerWaalsContact O-N 3.1Å; L75-W77 PolarHBondContact O-N 3.09Å; W77-L79 PolarHBondContact O-N 3.41Å; W77-Q80 PolarHBondContact O-N 2.89Å; W77-Q80 VanDerWaalsContact O-N 3.1Å
78A93.6Very high94.5Very high25 Ų2586.7 Ų86.721%0.20747%0.473CS..Hα-helixtrans-63.8-21.1177.900000113.5P74 L75 Q80 T81 M87P74-A78 PolarHBondContact O-N 3.32Å; L75-A78 WeakPolarHBondContact O-CB 3.12Å; L75-A78 PolarHBondContact O-N 3.01Å; A78-Q80 PolarHBondContact O-N 3.07Å; A78-T81 WeakPolarHBondContact O-CB 3.41Å; A78-T81 VanDerWaalsContact O-CG2 3.22Å; A78-T81 WeakPolarHBondContact O-CG2 3.17Å; A78-T81 PolarHBondContact O-N 2.72Å; A78-T81 VanDerWaalsContact O-N 3.14Å; A78-T81 PolarHBondContact O-OG1 3.2Å; A78-M87 HydrophobicContact CB-CG 3.82Å; A78-M87 HydrophobicContact CB-SD 4.48Å; A78-M87 WeakPolarHBondContact O-CE 3.29Å
79L92.8Very high94.6Very high110 Ų11090.5 Ų90.558%0.57649%0.492SS*.THydrogen-bonded Turntrans-61.5-17.8172.1-72.1166.1000114L75 W77 T81 L84 M87L75-L79 PolarHBondContact O-N 3.4Å; L75-L79 VanDerWaalsContact O-N 3.15Å; W77-L79 PolarHBondContact O-N 3.41Å; L79-T81 VanDerWaalsContact C-N 3.31Å; L79-L84 WeakPolarHBondContact O-CD2 3.42Å; L79-M87 VanDerWaalsContact CA-CE 3.48Å; L79-M87 HydrophobicContact CB-CE 4.31Å; L79-M87 HydrophobicContact CD2-CE 3.57Å; L79-M87 HydrophobicContact CG-CE 4.01Å
80Q93.1Very high94.5Very high166 Ų16689.2 Ų89.278%0.77649%0.492SS*.THydrogen-bonded Turntrans-89.22.2178.4-59.6177.1200112.9W77 A78W77-Q80 PolarHBondContact O-N 2.89Å; W77-Q80 VanDerWaalsContact O-N 3.1Å; A78-Q80 PolarHBondContact O-N 3.07Å
81T93.9Very high94.4Very high64 Ų6487.2 Ų87.239%0.39347%0.474SS..SBendtrans-72.6152.1-178.458.40000112.5A78 L79 N83A78-T81 WeakPolarHBondContact O-CB 3.41Å; A78-T81 VanDerWaalsContact O-CG2 3.22Å; A78-T81 WeakPolarHBondContact O-CG2 3.17Å; A78-T81 PolarHBondContact O-N 2.72Å; A78-T81 VanDerWaalsContact O-N 3.14Å; A78-T81 PolarHBondContact O-OG1 3.2Å; L79-T81 VanDerWaalsContact C-N 3.31Å; T81-N83 VanDerWaalsContact C-N 3.31Å; T81-N83 PolarHBondContact O-N 3.33Å
82T91.5Very high94.4Very high137 Ų13785.6 Ų85.684%0.8447%0.466SS*.SBendtrans-68.1-31.1178.852.70000112.6
83N94.1Very high94.4Very high100 Ų10089.1 Ų89.154%0.53548%0.484SS..  trans-102.466-179.1-70.4-29.5000111.9T81 P85 L86 M87T81-N83 VanDerWaalsContact C-N 3.31Å; T81-N83 PolarHBondContact O-N 3.33Å; N83-P85 VanDerWaalsContact C-CD 3.43Å; N83-L86 HydrophobicContact CB-CB 4.28Å; N83-L86 PolarHBondContact O-N 3Å; N83-M87 PolarHBondContact O-N 3.27Å
84L93.7Very high94.4Very high85 Ų8585.6 Ų85.645%0.44547%0.466SS..Hα-helixtrans-49.8-45.5174.5-69.4176000115.4L79 L86 M87 V88L79-L84 WeakPolarHBondContact O-CD2 3.42Å; L84-L86 VanDerWaalsContact C-N 3.31Å; L84-L86 PolarHBondContact O-N 3.35Å; L84-M87 HydrophobicContact CD2-CE 3.98Å; L84-M87 PolarHBondContact O-N 2.94Å; L84-V88 WeakPolarHBondContact O-CG2 3.21Å; L84-V88 PolarHBondContact O-N 3.29Å
85P94.4Very high94.5Very high99 Ų9986.6 Ų86.664%0.64347%0.467SS*.Hα-helixtrans-64.7-36.9-176.624.1-33.9000112.2N83 M89N83-P85 VanDerWaalsContact C-CD 3.43Å; P85-M89 WeakPolarHBondContact O-CB 3.44Å; P85-M89 WeakPolarHBondContact O-CG 3.35Å; P85-M89 PolarHBondContact O-N 3.5Å
86L94.8Very high94.6Very high119 Ų11988.9 Ų88.962%0.62348%0.478SS*.Hα-helixtrans-66.6-44.1177.3-178.466000111.1N83 L84 M89 S90N83-L86 HydrophobicContact CB-CB 4.28Å; N83-L86 PolarHBondContact O-N 3Å; L84-L86 VanDerWaalsContact C-N 3.31Å; L84-L86 PolarHBondContact O-N 3.35Å; L86-M89 PolarHBondContact O-N 3.39Å; L86-S90 WeakPolarHBondContact O-CB 3.38Å; L86-S90 PolarHBondContact O-N 3.41Å; L86-S90 PolarHBondContact O-OG 3.08Å
87M94.9Very high94.7Very high19 Ų1989 Ų899%0.09447%0.473CS..Hα-helixtrans-61-48.2178176.7-85.9-80.200111.2L75 A78 L79 N83 L84 M89 S90 S91L75-M87 HydrophobicContact CD2-SD 4.49Å; A78-M87 HydrophobicContact CB-CG 3.82Å; A78-M87 HydrophobicContact CB-SD 4.48Å; A78-M87 WeakPolarHBondContact O-CE 3.29Å; L79-M87 VanDerWaalsContact CA-CE 3.48Å; L79-M87 HydrophobicContact CB-CE 4.31Å; L79-M87 HydrophobicContact CD2-CE 3.57Å; L79-M87 HydrophobicContact CG-CE 4.01Å; N83-M87 PolarHBondContact O-N 3.27Å; L84-M87 HydrophobicContact CD2-CE 3.98Å; L84-M87 PolarHBondContact O-N 2.94Å; M87-M89 PolarHBondContact O-N 3.28Å; M87-S90 PolarHBondContact O-N 3.44Å; M87-S90 PolarHBondContact O-OG 3.27Å; M87-S91 PolarHBondContact O-N 2.87Å; M87-S91 PolarHBondContact O-OG 3.4Å
88V94.9Very high94.8Very high61 Ų6182.2 Ų82.237%0.3745%0.45SS..Hα-helixtrans-62.2-41.5178.4173.10000111.6L84 S91 L92L84-V88 WeakPolarHBondContact O-CG2 3.21Å; L84-V88 PolarHBondContact O-N 3.29Å; V88-S91 PolarHBondContact O-OG 3.14Å; V88-S91 VanDerWaalsContact O-OG 3.05Å; V88-L92 HydrophobicContact CG1-CD1 3.79Å; V88-L92 HydrophobicContact CG1-CG 4.38Å; V88-L92 WeakPolarHBondContact O-CB 3.42Å; V88-L92 VanDerWaalsContact O-CG 3.27Å; V88-L92 WeakPolarHBondContact O-CG 3.22Å; V88-L92 PolarHBondContact O-N 2.99Å
89M95.9Very high94.9Very high122 Ų12283.6 Ų83.660%0.60146%0.462SS*.Hα-helixtrans-61.9-45.6175.4-73.8-72.6110.400111.8P85 L86 M87 L92 L93P85-M89 WeakPolarHBondContact O-CB 3.44Å; P85-M89 WeakPolarHBondContact O-CG 3.35Å; P85-M89 PolarHBondContact O-N 3.5Å; L86-M89 PolarHBondContact O-N 3.39Å; M87-M89 PolarHBondContact O-N 3.28Å; M89-L92 HydrophobicContact CE-CD1 4.28Å; M89-L93 WeakPolarHBondContact O-CB 3.37Å; M89-L93 PolarHBondContact O-N 3.28Å
90S94.1Very high95.1Very high66 Ų6683.7 Ų83.746%0.46246%0.463SS..Hα-helixtrans-66.1-39-179.866.80000113.1L86 M87 L93 L94L86-S90 WeakPolarHBondContact O-CB 3.38Å; L86-S90 PolarHBondContact O-N 3.41Å; L86-S90 PolarHBondContact O-OG 3.08Å; M87-S90 PolarHBondContact O-N 3.44Å; M87-S90 PolarHBondContact O-OG 3.27Å; S90-L93 PolarHBondContact O-N 3.26Å; S90-L94 PolarHBondContact O-N 3.18Å
91S95.1Very high95.1Very high17 Ų1777.7 Ų77.712%0.11944%0.439CS..Hα-helixtrans-71.7-41179.664.10000112L75 M87 V88 L93 L94 I95L75-S91 VanDerWaalsContact CD2-CB 3.46Å; M87-S91 PolarHBondContact O-N 2.87Å; M87-S91 PolarHBondContact O-OG 3.4Å; V88-S91 PolarHBondContact O-OG 3.14Å; V88-S91 VanDerWaalsContact O-OG 3.05Å; S91-L93 VanDerWaalsContact C-N 3.32Å; S91-L93 PolarHBondContact O-N 3.02Å; S91-L94 PolarHBondContact O-N 3.27Å; S91-I95 VanDerWaalsContact O-CG1 3.32Å; S91-I95 WeakPolarHBondContact O-CG1 3.33Å; S91-I95 PolarHBondContact O-N 3.15Å
92L96Very high95.2Very high81 Ų8178 Ų7842%0.42444%0.438SS..Hα-helixtrans-61-42.2172-75.1170.4000111.6V88 M89 L94 I95 I96V88-L92 HydrophobicContact CG1-CD1 3.79Å; V88-L92 HydrophobicContact CG1-CG 4.38Å; V88-L92 WeakPolarHBondContact O-CB 3.42Å; V88-L92 VanDerWaalsContact O-CG 3.27Å; V88-L92 WeakPolarHBondContact O-CG 3.22Å; V88-L92 PolarHBondContact O-N 2.99Å; M89-L92 HydrophobicContact CE-CD1 4.28Å; L92-L94 VanDerWaalsContact C-N 3.32Å; L92-L94 PolarHBondContact O-N 3.1Å; L92-I95 PolarHBondContact O-N 3.2Å; L92-I96 WeakPolarHBondContact O-CB 3.33Å; L92-I96 WeakPolarHBondContact O-CD1 3.33Å; L92-I96 WeakPolarHBondContact O-CG1 3.16Å; L92-I96 PolarHBondContact O-N 3.06Å
93L96.4Very high95.4Very high109 Ų10973.6 Ų73.657%0.57142%0.416SS*.Hα-helixtrans-60.6-42.6176.8-177.5143.3000111.6M89 S90 S91 I96 I97M89-L93 WeakPolarHBondContact O-CB 3.37Å; M89-L93 PolarHBondContact O-N 3.28Å; S90-L93 PolarHBondContact O-N 3.26Å; S91-L93 VanDerWaalsContact C-N 3.32Å; S91-L93 PolarHBondContact O-N 3.02Å; L93-I96 PolarHBondContact O-N 3.33Å; L93-I97 HydrophobicContact CD2-CD1 3.54Å; L93-I97 HydrophobicContact CD2-CG1 4.48Å; L93-I97 HydrophobicContact CG-CD1 4.33Å; L93-I97 WeakPolarHBondContact O-CG1 3.35Å; L93-I97 PolarHBondContact O-N 3.14Å
94L95.8Very high95.4Very high41 Ų4176 Ų7622%0.21542%0.418CS..Hα-helixtrans-63.4-45.7176.8-158.1164.5000111.4E68 L71 L72 S90 S91 L92 I96 I97 L98E68-L94 HydrophobicContact CB-CD2 4.38Å; L71-L94 HydrophobicContact CB-CD1 3.87Å; L71-L94 HydrophobicContact CD1-CD1 4.47Å; L72-L94 HydrophobicContact CD1-CD2 4.05Å; L72-L94 HydrophobicContact CD2-CB 4.32Å; L72-L94 HydrophobicContact CD2-CD1 4.22Å; L72-L94 HydrophobicContact CD2-CD2 3.89Å; L72-L94 HydrophobicContact CD2-CG 4.36Å; L72-L94 HydrophobicContact CG-CD1 4.47Å; L72-L94 HydrophobicContact CG-CD2 3.77Å; S90-L94 PolarHBondContact O-N 3.18Å; S91-L94 PolarHBondContact O-N 3.27Å; L92-L94 VanDerWaalsContact C-N 3.32Å; L92-L94 PolarHBondContact O-N 3.1Å; L94-I96 VanDerWaalsContact C-N 3.31Å; L94-I96 PolarHBondContact O-N 3.26Å; L94-I97 PolarHBondContact O-N 2.74Å; L94-L98 PolarHBondContact O-N 3.44Å
95I96.4Very high95.4Very high79 Ų7972.9 Ų72.941%0.40540%0.402SS..Hα-helixtrans-61.9-39.3177.1-65.9164.6000111.4L72 S91 L92 L98 A99L72-I95 HydrophobicContact CD1-CG1 4.3Å; L72-I95 HydrophobicContact CD2-CG1 4.05Å; S91-I95 VanDerWaalsContact O-CG1 3.32Å; S91-I95 WeakPolarHBondContact O-CG1 3.33Å; S91-I95 PolarHBondContact O-N 3.15Å; L92-I95 PolarHBondContact O-N 3.2Å; I95-L98 PolarHBondContact O-N 3.21Å; I95-A99 WeakPolarHBondContact O-CB 3.47Å; I95-A99 PolarHBondContact O-N 3.15Å
96I97.1Very high95.3Very high98 Ų9876.2 Ų76.250%0.50340%0.401SS..Hα-helixtrans-64.6-42.5176.9-70.8163.5000110.8L92 L93 L94 A99 L100L92-I96 WeakPolarHBondContact O-CB 3.33Å; L92-I96 WeakPolarHBondContact O-CD1 3.33Å; L92-I96 WeakPolarHBondContact O-CG1 3.16Å; L92-I96 PolarHBondContact O-N 3.06Å; L93-I96 PolarHBondContact O-N 3.33Å; L94-I96 VanDerWaalsContact C-N 3.31Å; L94-I96 PolarHBondContact O-N 3.26Å; I96-A99 PolarHBondContact O-N 3.38Å; I96-L100 HydrophobicContact CG2-CD1 3.89Å; I96-L100 HydrophobicContact CG2-CG 4.32Å; I96-L100 WeakPolarHBondContact O-CB 3.22Å; I96-L100 VanDerWaalsContact O-CG 3.29Å; I96-L100 WeakPolarHBondContact O-CG 3.47Å; I96-L100 PolarHBondContact O-N 2.76Å
97I95.9Very high95.3Very high88 Ų8877.2 Ų77.245%0.45141%0.407SS..Hα-helixtrans-61.4-45.6176.7-69.8169.1000110.6L93 L94 A99 L100 S101L93-I97 HydrophobicContact CD2-CD1 3.54Å; L93-I97 HydrophobicContact CD2-CG1 4.48Å; L93-I97 HydrophobicContact CG-CD1 4.33Å; L93-I97 WeakPolarHBondContact O-CG1 3.35Å; L93-I97 PolarHBondContact O-N 3.14Å; L94-I97 PolarHBondContact O-N 2.74Å; I97-A99 PolarHBondContact O-N 3.29Å; I97-L100 PolarHBondContact O-N 3.27Å; I97-S101 PolarHBondContact O-N 3.23Å; I97-S101 PolarHBondContact O-OG 2.94Å
98L95.8Very high95.1Very high40 Ų4082 Ų8221%0.20943%0.429CS..Hα-helixtrans-58-49.1175.7-170.5157.4000110.7F65 E68 L72 L94 I95 L100 S101 L102F65-L98 HydrophobicContact CD1-CG 4.21Å; F65-L98 HydrophobicContact CE1-CG 4.4Å; E68-L98 HydrophobicContact CB-CD1 4Å; E68-L98 WeakPolarHBondContact OE2-CA 3.47Å; E68-L98 WeakPolarHBondContact OE2-CB 3.32Å; E68-L98 WeakPolarHBondContact OE2-CD1 3.34Å; E68-L98 WeakPolarHBondContact OE2-CG 3.35Å; L72-L98 HydrophobicContact CD1-CD1 4.46Å; L94-L98 PolarHBondContact O-N 3.44Å; I95-L98 PolarHBondContact O-N 3.21Å; L98-L100 VanDerWaalsContact C-N 3.32Å; L98-L100 PolarHBondContact O-N 2.93Å; L98-S101 PolarHBondContact O-N 3.01Å; L98-S101 PolarHBondContact O-OG 3.01Å; L98-L102 PolarHBondContact O-N 3.34Å; L98-L102 VanDerWaalsContact O-N 3.07Å
99A96.1Very high94.8Very high55 Ų5586.2 Ų86.246%0.45544%0.442SS..Hα-helixtrans-60.9-38.8177.500000112.8I95 I96 I97 A103I95-A99 WeakPolarHBondContact O-CB 3.47Å; I95-A99 PolarHBondContact O-N 3.15Å; I96-A99 PolarHBondContact O-N 3.38Å; I97-A99 PolarHBondContact O-N 3.29Å; A99-A103 WeakPolarHBondContact O-CB 3.44Å; A99-A103 PolarHBondContact O-N 3.48Å
100L96.7Very high94.2Very high111 Ų11181.3 Ų81.358%0.58142%0.423SS*.Hα-helixtrans-68-40.7177.2-75.8171.7000112.3I96 I97 L98 A103 Y104I96-L100 HydrophobicContact CG2-CD1 3.89Å; I96-L100 HydrophobicContact CG2-CG 4.32Å; I96-L100 WeakPolarHBondContact O-CB 3.22Å; I96-L100 VanDerWaalsContact O-CG 3.29Å; I96-L100 WeakPolarHBondContact O-CG 3.47Å; I96-L100 PolarHBondContact O-N 2.76Å; I97-L100 PolarHBondContact O-N 3.27Å; L98-L100 VanDerWaalsContact C-N 3.32Å; L98-L100 PolarHBondContact O-N 2.93Å; L100-A103 PolarHBondContact O-N 2.9Å; L100-Y104 WeakPolarHBondContact O-CB 3.32Å; L100-Y104 PolarHBondContact O-N 2.93Å
101S94.3Very high93.9Very high41 Ų4180.6 Ų80.629%0.28741%0.414SS..Hα-helixtrans-64-42.1177660000111.9F65 I97 L98 Y104 E105F65-S101 WeakPolarHBondContact CE1-OG 3.25Å; I97-S101 PolarHBondContact O-N 3.23Å; I97-S101 PolarHBondContact O-OG 2.94Å; L98-S101 PolarHBondContact O-N 3.01Å; L98-S101 PolarHBondContact O-OG 3.01Å; S101-Y104 PolarHBondContact O-N 3.07Å; S101-E105 PolarHBondContact O-N 3.45Å
102L94.8Very high93.4Very high69 Ų6983 Ų8336%0.36143%0.425SS..Hα-helixtrans-63.5-45.4173.2-176.770.2000111.7F65 L98 Y104 E105 W106 L111F65-L102 HydrophobicContact CE2-CD1 3.83Å; F65-L102 HydrophobicContact CZ-CB 3.93Å; F65-L102 HydrophobicContact CZ-CD1 3.88Å; L98-L102 PolarHBondContact O-N 3.34Å; L98-L102 VanDerWaalsContact O-N 3.07Å; L102-Y104 VanDerWaalsContact C-N 3.28Å; L102-Y104 PolarHBondContact O-N 3.42Å; L102-E105 PolarHBondContact O-N 2.99Å; L102-W106 WeakPolarHBondContact O-CB 3.46Å; L102-W106 PolarHBondContact O-N 3.39Å; L102-L111 HydrophobicContact CD1-CD1 4.22Å
103A95.9Very high92.7Very high46 Ų4688.4 Ų88.438%0.3844%0.44SS..Hα-helixtrans-60.7-39.4177.300000111.6A99 L100 W106 L107A99-A103 WeakPolarHBondContact O-CB 3.44Å; A99-A103 PolarHBondContact O-N 3.48Å; L100-A103 PolarHBondContact O-N 2.9Å; A103-W106 PolarHBondContact O-N 3.36Å; A103-L107 WeakPolarHBondContact O-CB 3.29Å; A103-L107 VanDerWaalsContact O-CG 3.25Å; A103-L107 WeakPolarHBondContact O-CG 3.42Å; A103-L107 PolarHBondContact O-N 3.22Å
104Y94.9Very high91.2Very high150 Ų15088 Ų8859%0.58844%0.442SS*.Hα-helixtrans-63.8-47.9175.7178.7-98000111.7L100 S101 L102 W106 L107 Q108L100-Y104 WeakPolarHBondContact O-CB 3.32Å; L100-Y104 PolarHBondContact O-N 2.93Å; S101-Y104 PolarHBondContact O-N 3.07Å; L102-Y104 VanDerWaalsContact C-N 3.28Å; L102-Y104 PolarHBondContact O-N 3.42Å; Y104-W106 VanDerWaalsContact C-N 3.3Å; Y104-W106 PolarHBondContact O-N 2.96Å; Y104-L107 PolarHBondContact O-N 3.31Å; Y104-Q108 HydrophobicContact CD1-CG 4.36Å; Y104-Q108 HydrophobicContact CD2-CG 4.47Å; Y104-Q108 HydrophobicContact CE1-CG 3.94Å; Y104-Q108 HydrophobicContact CE2-CG 4.07Å; Y104-Q108 WeakPolarHBondContact O-CG 3.25Å; Y104-Q108 PolarHBondContact O-N 3.21Å
105E93.4Very high89.4Confident20 Ų2098.6 Ų98.69%0.09349%0.49CS..Hα-helixtrans-61.2-40.1178.4-168.2-175.5176.600112L57 T61 S101 L102 Q108 K109 G110 L111L57-E105 HydrophobicContact CD2-CG 4.43Å; L57-E105 WeakPolarHBondContact CD2-OE1 3.44Å; T61-E105 WeakPolarHBondContact CB-OE1 3.34Å; T61-E105 WeakPolarHBondContact CB-OE2 3.5Å; T61-E105 HydrophobicContact CG2-CG 4.38Å; T61-E105 WeakPolarHBondContact CG2-OE1 3.39Å; T61-E105 VanDerWaalsContact CG2-OE2 3.3Å; T61-E105 WeakPolarHBondContact CG2-OE2 3.41Å; T61-E105 PolarHBondContact OG1-OE1 2.95Å; S101-E105 PolarHBondContact O-N 3.45Å; L102-E105 PolarHBondContact O-N 2.99Å; E105-Q108 PolarHBondContact O-N 3.33Å; E105-K109 PolarHBondContact O-N 3.47Å; E105-G110 PolarHBondContact O-N 2.88Å; E105-G110 VanDerWaalsContact O-N 3.08Å; E105-L111 HydrophobicContact CG-CD2 4.47Å; E105-L111 HydrophobicContact CG-CG 4.17Å; E105-L111 WeakPolarHBondContact OE1-CD2 3.19Å
106W92.3Very high89.1Confident169 Ų16999.6 Ų99.664%0.6450%0.495SS*.Hα-helixtrans-62-50174.7-168.1-56.4000111.5L102 A103 Y104 Q108 K109 L111L102-W106 WeakPolarHBondContact O-CB 3.46Å; L102-W106 PolarHBondContact O-N 3.39Å; A103-W106 PolarHBondContact O-N 3.36Å; Y104-W106 VanDerWaalsContact C-N 3.3Å; Y104-W106 PolarHBondContact O-N 2.96Å; W106-Q108 PolarHBondContact O-N 3.46Å; W106-K109 PolarHBondContact O-N 3.29Å; W106-L111 HydrophobicContact CE3-CD1 4.23Å
107L94.5Very high88.6Confident140 Ų14099.6 Ų99.673%0.73349%0.494SS*.Hα-helixtrans-61.4-32.8-179.8-74.8169.5000112.4A103 Y104 K109A103-L107 WeakPolarHBondContact O-CB 3.29Å; A103-L107 VanDerWaalsContact O-CG 3.25Å; A103-L107 WeakPolarHBondContact O-CG 3.42Å; A103-L107 PolarHBondContact O-N 3.22Å; Y104-L107 PolarHBondContact O-N 3.31Å; L107-K109 PolarHBondContact O-N 2.98Å
108Q91.3Very high88.2Confident120 Ų120100.3 Ų100.356%0.56150%0.497SS*.THydrogen-bonded Turntrans-79.95.9176.5-64.9-63.3-5.600113.9Y104 E105 W106 G110Y104-Q108 HydrophobicContact CD1-CG 4.36Å; Y104-Q108 HydrophobicContact CD2-CG 4.47Å; Y104-Q108 HydrophobicContact CE1-CG 3.94Å; Y104-Q108 HydrophobicContact CE2-CG 4.07Å; Y104-Q108 WeakPolarHBondContact O-CG 3.25Å; Y104-Q108 PolarHBondContact O-N 3.21Å; E105-Q108 PolarHBondContact O-N 3.33Å; W106-Q108 PolarHBondContact O-N 3.46Å; Q108-G110 PolarHBondContact O-N 3.36Å; Q108-G110 VanDerWaalsContact O-N 3.15Å
109K88.4Confident87.8Confident148 Ų148103.8 Ų103.864%0.64351%0.514SS*.THydrogen-bonded Turntrans59.222.7-178.7-52.9-171173.4-1760113.2E105 W106 L107 L111 D112E105-K109 PolarHBondContact O-N 3.47Å; W106-K109 PolarHBondContact O-N 3.29Å; L107-K109 PolarHBondContact O-N 2.98Å; K109-L111 PolarHBondContact O-N 3Å; K109-D112 HydrophobicContact CB-CB 3.94Å; K109-D112 WeakPolarHBondContact CB-OD2 3.41Å; K109-D112 WeakPolarHBondContact CD-OD2 3.35Å; K109-D112 WeakPolarHBondContact CG-OD2 3.27Å; K109-D112 PolarHBondContact O-N 3.28Å; K109-D112 VanDerWaalsContact O-N 3.14Å
110G84.1Confident87.3Confident19 Ų19106.9 Ų106.920%0.19652%0.517CS..THydrogen-bonded Turntrans-62.9-27.2175.800000112.1E105 Q108E105-G110 PolarHBondContact O-N 2.88Å; E105-G110 VanDerWaalsContact O-N 3.08Å; Q108-G110 PolarHBondContact O-N 3.36Å; Q108-G110 VanDerWaalsContact O-N 3.15Å
111L86.1Confident86.6Confident52 Ų52106.6 Ų106.627%0.27251%0.513SS..THydrogen-bonded Turntrans-98.2-2178.4-57.6175.1000113.4L102 E105 W106 K109 W113L102-L111 HydrophobicContact CD1-CD1 4.22Å; E105-L111 HydrophobicContact CG-CD2 4.47Å; E105-L111 HydrophobicContact CG-CG 4.17Å; E105-L111 WeakPolarHBondContact OE1-CD2 3.19Å; W106-L111 HydrophobicContact CE3-CD1 4.23Å; K109-L111 PolarHBondContact O-N 3Å; L111-W113 PolarHBondContact O-N 3.03Å
112D85.4Confident86.1Confident66 Ų66111.3 Ų111.335%0.35353%0.529SS..  trans-76.4116.7-178.3-81.3-8.3000110.9K54 K109 T114K54-D112 PolarHBondContact NZ-O 3.49Å; K109-D112 HydrophobicContact CB-CB 3.94Å; K109-D112 WeakPolarHBondContact CB-OD2 3.41Å; K109-D112 WeakPolarHBondContact CD-OD2 3.35Å; K109-D112 WeakPolarHBondContact CG-OD2 3.27Å; K109-D112 PolarHBondContact O-N 3.28Å; K109-D112 VanDerWaalsContact O-N 3.14Å; D112-T114 PolarHBondContact O-N 3.05Å
113W80.8Confident85.4Confident195 Ų195114.5 Ų114.574%0.73954%0.542SS*.  trans-9381.9173.4-64.314.3000108L111L111-W113 PolarHBondContact O-N 3.03Å
114T65.9Low84.6Confident100 Ų100120.3 Ų120.361%0.61356%0.555SS**  trans-75.2124.3155.4650000107.3K54 D112K54-T114 PolarHBondContact NZ-O 3Å; K54-T114 PolarHBondContact NZ-OG1 3.17Å; D112-T114 PolarHBondContact O-N 3.05Å
115E57.9Low83.6Confident264 Ų264117.5 Ų117.5100%1.23455%0.553SS**  trans-50.80157.7-64.3-170.5174.800110.6

Retrieved 115 of 115 residues in 54 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).