A0A059QIM8_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 A0A059QIM8, Species HUMAN (Homo sapiens, Human), Gene ND3, Length 104 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
1L90.6Very high95.6Very high185 Ų185107.7 Ų107.797%0.96958%0.577SS**  0-55.40-156.6133.6000111.8A3 L4 L5L1-A3 PolarHBondContact O-N 2.99Å; L1-L4 PolarHBondContact O-N 3.45Å; L1-L4 VanDerWaalsContact O-N 3.16Å; L1-L5 PolarHBondContact O-N 3.36Å
2L96.1Very high95.4Very high127 Ų127115.3 Ų115.367%0.66559%0.592SS**Hα-helixtrans-55.3-47.4174.6-174.772.2000113.5L4 L5 L6L2-L4 VanDerWaalsContact C-N 3.26Å; L2-L4 PolarHBondContact O-N 3.47Å; L2-L5 WeakPolarHBondContact O-CB 3.34Å; L2-L5 PolarHBondContact O-N 3.31Å; L2-L6 HydrophobicContact CG-CD1 4.3Å; L2-L6 WeakPolarHBondContact O-CG 3.07Å; L2-L6 PolarHBondContact O-N 3.36Å
3A97.2Very high95.2Very high75 Ų75117.6 Ų117.662%0.6261%0.605SS**Hα-helixtrans-60-36.317800000113L1 L6 M7L1-A3 PolarHBondContact O-N 2.99Å; A3-L6 PolarHBondContact O-N 2.9Å; A3-M7 WeakPolarHBondContact O-CB 3.45Å; A3-M7 PolarHBondContact O-N 3.49Å
4L97.3Very high95Very high107 Ų107114.1 Ų114.156%0.5659%0.593SS**Hα-helixtrans-71.6-40.9178.8-149.4157.8000110.3L1 L2 M7 I8L1-L4 PolarHBondContact O-N 3.45Å; L1-L4 VanDerWaalsContact O-N 3.16Å; L2-L4 VanDerWaalsContact C-N 3.26Å; L2-L4 PolarHBondContact O-N 3.47Å; L4-M7 PolarHBondContact O-N 3.4Å; L4-I8 HydrophobicContact CD2-CD1 3.53Å; L4-I8 HydrophobicContact CD2-CG1 4.11Å; L4-I8 VanDerWaalsContact O-CG1 3.29Å; L4-I8 WeakPolarHBondContact O-CG1 3.49Å; L4-I8 PolarHBondContact O-N 2.99Å
5L97.4Very high94.3Very high84 Ų84118.7 Ų118.744%0.4461%0.611SS.*Hα-helixtrans-61.3-44.3173.3-179142.3000111.9L1 L2 I8 I9L1-L5 PolarHBondContact O-N 3.36Å; L2-L5 WeakPolarHBondContact O-CB 3.34Å; L2-L5 PolarHBondContact O-N 3.31Å; L5-I8 PolarHBondContact O-N 3.33Å; L5-I9 HydrophobicContact CD2-CD1 3.54Å; L5-I9 HydrophobicContact CG-CD1 4.23Å; L5-I9 WeakPolarHBondContact O-CG1 3.36Å; L5-I9 PolarHBondContact O-N 2.96Å
6L96.9Very high93.6Very high94 Ų94119.3 Ų119.349%0.49262%0.615SS.*Hα-helixtrans-64-41.9175.9-71173.4000112L2 A3 I8 I9 T10L2-L6 HydrophobicContact CG-CD1 4.3Å; L2-L6 WeakPolarHBondContact O-CG 3.07Å; L2-L6 PolarHBondContact O-N 3.36Å; A3-L6 PolarHBondContact O-N 2.9Å; L6-I8 VanDerWaalsContact C-N 3.32Å; L6-I8 PolarHBondContact O-N 3.45Å; L6-I9 PolarHBondContact O-N 3.4Å; L6-T10 VanDerWaalsContact O-CG2 3.23Å; L6-T10 WeakPolarHBondContact O-CG2 3.15Å; L6-T10 PolarHBondContact O-N 3.19Å; L6-T10 PolarHBondContact O-OG1 3.27Å
7M96.4Very high93Very high129 Ų129117.9 Ų117.964%0.63561%0.609SS**Hα-helixtrans-60.9-40175.3-176.1-164.8-74.200112A3 L4 T10 F11A3-M7 WeakPolarHBondContact O-CB 3.45Å; A3-M7 PolarHBondContact O-N 3.49Å; L4-M7 PolarHBondContact O-N 3.4Å; M7-T10 WeakPolarHBondContact CA-OG1 3.13Å; M7-T10 PolarHBondContact O-OG1 3.01Å; M7-F11 WeakPolarHBondContact O-CB 3.29Å; M7-F11 PolarHBondContact O-N 3.27Å; M7-F11 VanDerWaalsContact O-N 3.07Å
8I96.1Very high92.5Very high84 Ų84115.8 Ų115.843%0.43162%0.62SS.*Hα-helixtrans-64.5-49.1175.5-69.4165.4000109.6L4 L5 L6 T10 F11 W12L4-I8 HydrophobicContact CD2-CD1 3.53Å; L4-I8 HydrophobicContact CD2-CG1 4.11Å; L4-I8 VanDerWaalsContact O-CG1 3.29Å; L4-I8 WeakPolarHBondContact O-CG1 3.49Å; L4-I8 PolarHBondContact O-N 2.99Å; L5-I8 PolarHBondContact O-N 3.33Å; L6-I8 VanDerWaalsContact C-N 3.32Å; L6-I8 PolarHBondContact O-N 3.45Å; I8-T10 VanDerWaalsContact C-N 3.32Å; I8-T10 PolarHBondContact O-N 3.25Å; I8-F11 PolarHBondContact O-N 3.03Å; I8-W12 WeakPolarHBondContact O-CB 3.48Å; I8-W12 PolarHBondContact O-N 3.07Å
9I96.1Very high92.2Very high80 Ų80117.1 Ų117.141%0.4162%0.617SS.*Hα-helixtrans-59.2-45.2179.7-66.7168000110.8L5 L6 F11 W12 L13L5-I9 HydrophobicContact CD2-CD1 3.54Å; L5-I9 HydrophobicContact CG-CD1 4.23Å; L5-I9 WeakPolarHBondContact O-CG1 3.36Å; L5-I9 PolarHBondContact O-N 2.96Å; L6-I9 PolarHBondContact O-N 3.4Å; I9-F11 VanDerWaalsContact C-N 3.31Å; I9-F11 PolarHBondContact O-N 2.91Å; I9-W12 PolarHBondContact O-N 2.95Å; I9-L13 HydrophobicContact CG2-CB 4.37Å; I9-L13 HydrophobicContact CG2-CD1 4.44Å; I9-L13 WeakPolarHBondContact O-CB 3.47Å; I9-L13 PolarHBondContact O-N 2.69Å
10T95Very high91.8Very high93 Ų93118.6 Ų118.657%0.57162%0.622SS**Hα-helixtrans-69.1-28.3-177.458.60000113.2L6 M7 I8 P14L6-T10 VanDerWaalsContact O-CG2 3.23Å; L6-T10 WeakPolarHBondContact O-CG2 3.15Å; L6-T10 PolarHBondContact O-N 3.19Å; L6-T10 PolarHBondContact O-OG1 3.27Å; M7-T10 WeakPolarHBondContact CA-OG1 3.13Å; M7-T10 PolarHBondContact O-OG1 3.01Å; I8-T10 VanDerWaalsContact C-N 3.32Å; I8-T10 PolarHBondContact O-N 3.25Å; T10-P14 WeakPolarHBondContact O-CD 3.4Å; T10-P14 WeakPolarHBondContact O-CG 3.47Å
11F92.9Very high91.3Very high127 Ų127120 Ų12056%0.55763%0.625SS**Hα-helixtrans-81.2-37.1177.4-167.6-96000112.8M7 I8 I9M7-F11 WeakPolarHBondContact O-CB 3.29Å; M7-F11 PolarHBondContact O-N 3.27Å; M7-F11 VanDerWaalsContact O-N 3.07Å; I8-F11 PolarHBondContact O-N 3.03Å; I9-F11 VanDerWaalsContact C-N 3.31Å; I9-F11 PolarHBondContact O-N 2.91Å
12W92.8Very high91.1Very high199 Ų199118 Ų11875%0.75461%0.609SS**Hα-helixtrans-99.6-21.8-169.9-68.196.7000115.3I8 I9I8-W12 WeakPolarHBondContact O-CB 3.48Å; I8-W12 PolarHBondContact O-N 3.07Å; I9-W12 PolarHBondContact O-N 2.95Å
13L93.2Very high90.7Very high145 Ų145116.1 Ų116.176%0.75961%0.606SS**SBendtrans-77.8-36.5-179.9-161.1109.3000114.7I9I9-L13 HydrophobicContact CG2-CB 4.37Å; I9-L13 HydrophobicContact CG2-CD1 4.44Å; I9-L13 WeakPolarHBondContact O-CB 3.47Å; I9-L13 PolarHBondContact O-N 2.69Å
14P91.8Very high90.2Very high68 Ų68115.6 Ų115.644%0.44260%0.595SS.*SBendtrans-76.8153.3-178.2-10.725.9000113.5T10 L16T10-P14 WeakPolarHBondContact O-CD 3.4Å; T10-P14 WeakPolarHBondContact O-CG 3.47Å; P14-L16 PolarHBondContact O-N 3.16Å
15Q84.9Confident89.8Confident183 Ų183114.7 Ų114.786%0.85560%0.596SS**  trans-77.3118.4167.9-69.2-178.8-16.100110.6N17Q15-N17 PolarHBondContact O-N 2.98Å
16L82.6Confident89.3Confident129 Ų129120.1 Ų120.168%0.67561%0.612SS**  trans-9398.7-179.4-63.3170.8000110.6P14P14-L16 PolarHBondContact O-N 3.16Å
17N83.8Confident88.9Confident96 Ų96119.2 Ų119.251%0.51361%0.605SS.*  trans-97.597.6168.8-74.7-15.2000109.8Q15 Y19 K22Q15-N17 PolarHBondContact O-N 2.98Å; N17-Y19 HydrophobicContact CB-CE2 3.81Å; N17-K22 PolarHBondContact O-NZ 3.16Å
18G83.4Confident88.4Confident79 Ų79117.8 Ų117.881%0.81461%0.607SS**  trans-81.9111.3179.700000112.3
19Y86.8Confident87.9Confident141 Ų141117 Ų11755%0.55362%0.619SS**  trans-116.7148.8169.3-57.7-75000108.4N17 E21 K22 S23N17-Y19 HydrophobicContact CB-CE2 3.81Å; Y19-E21 VanDerWaalsContact C-N 3.27Å; Y19-E21 PolarHBondContact O-N 3.49Å; Y19-K22 HydrophobicContact CD2-CD 3.97Å; Y19-K22 HydrophobicContact CD2-CG 4.5Å; Y19-K22 WeakPolarHBondContact O-CB 3.46Å; Y19-K22 PolarHBondContact O-N 3.19Å; Y19-S23 PolarHBondContact O-N 2.96Å
20M84Confident87.3Confident146 Ų146120.7 Ų120.772%0.71963%0.632SS**Hα-helixtrans-52.6-44.9-179.9-75.4-64-62.900112.1K22 S23 T24M20-K22 PolarHBondContact O-N 3.3Å; M20-S23 WeakPolarHBondContact O-CA 3.23Å; M20-S23 PolarHBondContact O-N 3.15Å; M20-S23 PolarHBondContact O-OG 3.03Å; M20-T24 PolarHBondContact O-N 3.42Å; M20-T24 VanDerWaalsContact O-N 3.16Å
21E82.9Confident86.9Confident149 Ų149122.6 Ų122.670%0.69664%0.639SS**Hα-helixtrans-63.8-20.1178.1-56.3-56.7155.400114.9Y19 T24Y19-E21 VanDerWaalsContact C-N 3.27Å; Y19-E21 PolarHBondContact O-N 3.49Å; E21-T24 PolarHBondContact O-OG1 2.89Å
22K85.5Confident86.6Confident143 Ų143119.5 Ų119.562%0.62263%0.632SS**Hα-helixtrans-84.8-16173-69.2-174-179.9175.40112.5N17 Y19 M20N17-K22 PolarHBondContact O-NZ 3.16Å; Y19-K22 HydrophobicContact CD2-CD 3.97Å; Y19-K22 HydrophobicContact CD2-CG 4.5Å; Y19-K22 WeakPolarHBondContact O-CB 3.46Å; Y19-K22 PolarHBondContact O-N 3.19Å; M20-K22 PolarHBondContact O-N 3.3Å
23S87.5Confident86.1Confident87 Ų87118.1 Ų118.161%0.60864%0.636SS**Hα-helixtrans-101.1-8.4-179.663.40000113.4Y19 M20Y19-S23 PolarHBondContact O-N 2.96Å; M20-S23 WeakPolarHBondContact O-CA 3.23Å; M20-S23 PolarHBondContact O-N 3.15Å; M20-S23 PolarHBondContact O-OG 3.03Å
24T87.8Confident85.6Confident64 Ų64114.3 Ų114.339%0.39362%0.621SS.*SBendtrans-76.2149.8173.147.70000111.1M20 E21M20-T24 PolarHBondContact O-N 3.42Å; M20-T24 VanDerWaalsContact O-N 3.16Å; E21-T24 PolarHBondContact O-OG1 2.89Å
25P88.2Confident85.2Confident88 Ų88115.9 Ų115.957%0.57163%0.632SS**  trans-66.1138.6177.428.5-35.2000110.9P32P25-P32 HydrophobicContact CG-CB 4.49Å; P25-P32 HydrophobicContact CG-CG 3.85Å
26Y86.8Confident85Confident199 Ų199112.3 Ų112.378%0.7863%0.633SS**  trans-87.5114.9179.1179.8-97000111.2
27E88.3Confident85Confident75 Ų75117.5 Ų117.535%0.3564%0.644SS.*BIsolated β-bridgetrans-119.868.8171-166166.9145.300109.7G29 F30 P32 M33E27-G29 PolarHBondContact O-N 2.97Å; E27-G29 VanDerWaalsContact O-N 3.11Å; E27-F30 PolarHBondContact O-N 3.28Å; E27-P32 WeakPolarHBondContact OE2-CA 3.28Å; E27-P32 VanDerWaalsContact OE2-CB 3.28Å; E27-P32 WeakPolarHBondContact OE2-CB 3.06Å; E27-M33 PolarHBondContact OE2-N 3.11Å
28C86.6Confident84.8Confident98 Ų98117.8 Ų117.866%0.66265%0.649SS**THydrogen-bonded Turntrans5728.9178.9-62.60000114.6
29G85.1Confident84.7Confident67 Ų67120.1 Ų120.169%0.69165%0.65SS**THydrogen-bonded Turntrans87.87.9-17800000114.8E27E27-G29 PolarHBondContact O-N 2.97Å; E27-G29 VanDerWaalsContact O-N 3.11Å
30F84.6Confident84.3Confident158 Ų158120.3 Ų120.369%0.69365%0.653SS**BIsolated β-bridgetrans-111.3160.1173.7-62-83.4000111.5E27E27-F30 PolarHBondContact O-N 3.28Å
31D86.8Confident84.3Confident134 Ų134115.7 Ų115.772%0.71764%0.636SS**  trans-66.9142.2167.9-70.7-37.5000110M33D31-M33 PolarHBondContact O-N 3.41Å
32P85.3Confident84.4Confident61 Ų61115.3 Ų115.340%0.39664%0.636SS.*  trans-65.7125.9-173.227.1-36.4000112.1P25 E27 S34P25-P32 HydrophobicContact CG-CB 4.49Å; P25-P32 HydrophobicContact CG-CG 3.85Å; E27-P32 WeakPolarHBondContact OE2-CA 3.28Å; E27-P32 VanDerWaalsContact OE2-CB 3.28Å; E27-P32 WeakPolarHBondContact OE2-CB 3.06Å; P32-S34 VanDerWaalsContact C-N 3.34Å
33M82.5Confident84.4Confident171 Ų171113.6 Ų113.684%0.84263%0.628SS**SBendtrans-77.1-23.5-176.6-67.9-66.3-129.100112.7E27 D31E27-M33 PolarHBondContact OE2-N 3.11Å; D31-M33 PolarHBondContact O-N 3.41Å
34S82.4Confident84.3Confident64 Ų64114.3 Ų114.345%0.44862%0.621SS.*SBendtrans-149.1157.6-179.669.40000110.3P32 A36P32-S34 VanDerWaalsContact C-N 3.34Å; S34-A36 PolarHBondContact O-N 3.46Å
35P83.4Confident84.3Confident102 Ų102116.2 Ų116.266%0.66262%0.624SS**  trans-61.4139172.226.9-34.6000110.3R37P35-R37 PolarHBondContact O-N 2.96Å
36A81.9Confident84.4Confident107 Ų107116 Ų11688%0.88462%0.617SS**SBendtrans-59.6-14.8178.700000114.6S34 V38S34-A36 PolarHBondContact O-N 3.46Å; A36-V38 PolarHBondContact O-N 3.46Å
37R82.1Confident84.6Confident238 Ų238108.8 Ų108.890%0.89859%0.594SS**  trans-92.192175-65.3-172.2-176.1-174.21.9109.7P35P35-R37 PolarHBondContact O-N 2.96Å
38V80Confident84.9Confident102 Ų102107.9 Ų107.962%0.61860%0.599SS**PPolyproline II helixtrans-94.2154.6172.7-69.80000111A36 F40A36-V38 PolarHBondContact O-N 3.46Å; V38-F40 PolarHBondContact O-N 3.29Å
39P80.6Confident85.2Confident129 Ų129106.6 Ų106.684%0.83859%0.585SS**PPolyproline II helixtrans-55.6130173.123.1-33.1000110.4
40F78.6Confident85.6Confident144 Ų144104.6 Ų104.663%0.63256%0.559SS**PPolyproline II helixtrans-77.1147.1-176.1-172.1-109.7000111.2V38 F44 F45V38-F40 PolarHBondContact O-N 3.29Å; F40-F44 HydrophobicContact CD1-CB 4.46Å; F40-F44 HydrophobicContact CE1-CB 3.41Å; F40-F44 VanDerWaalsContact CE1-CB 3.41Å; F40-F44 HydrophobicContact CE1-CG 4.48Å; F40-F44 HydrophobicContact CE2-CB 4.1Å; F40-F44 HydrophobicContact CE2-CD2 4.09Å; F40-F44 HydrophobicContact CE2-CG 4.45Å; F40-F44 HydrophobicContact CZ-CB 3.19Å; F40-F44 HydrophobicContact CZ-CD2 4.03Å; F40-F44 AromaticContact CZ-CG 3.96Å; F40-F44 HydrophobicContact CZ-CG 3.96Å; F40-F45 HydrophobicContact CD1-CB 4.49Å; F40-F45 HydrophobicContact CE1-CB 4.25Å
41S84.5Confident86Confident50 Ų50103.7 Ų103.735%0.3556%0.555SS.*PPolyproline II helixtrans-72.3133.2178.391.90000110.4K43 F44S41-K43 PolarHBondContact O-N 3.25Å; S41-F44 PolarHBondContact O-N 3.13Å; S41-F44 WeakPolarHBondContact OG-CD2 3.41Å; S41-F44 WeakPolarHBondContact OG-CE2 3.38Å
42M84.4Confident86.4Confident141 Ų141102.6 Ų102.670%0.69555%0.549SS*.Hα-helixtrans-64.4-23.9179-66.6-64.8-84.300112.5F45 L46M42-F45 WeakPolarHBondContact O-CB 3.39Å; M42-F45 PolarHBondContact O-N 3.14Å; M42-L46 WeakPolarHBondContact O-CG 3.4Å; M42-L46 PolarHBondContact O-N 3.23Å
43K85.3Confident86.9Confident106 Ų106104.1 Ų104.146%0.46155%0.553SS.*Hα-helixtrans-63.1-45.7178.4-65.9-169.5179.2-171.50111.7S41 F45 L46 V47 D101 T103S41-K43 PolarHBondContact O-N 3.25Å; K43-F45 PolarHBondContact O-N 3.09Å; K43-L46 PolarHBondContact O-N 3.33Å; K43-V47 WeakPolarHBondContact O-CG2 2.87Å; K43-V47 PolarHBondContact O-N 3.09Å; K43-V47 VanDerWaalsContact O-N 3.15Å; K43-D101 PolarHBondContact NZ-O 3.05Å; K43-T103 PolarHBondContact NZ-O 3.01Å
44F85.4Confident87.6Confident103 Ų10397.9 Ų97.945%0.45252%0.522SS..Hα-helixtrans-65.5-31.1176.9-68.2-54.9000112.4F40 S41 A48 W102F40-F44 HydrophobicContact CD1-CB 4.46Å; F40-F44 HydrophobicContact CE1-CB 3.41Å; F40-F44 VanDerWaalsContact CE1-CB 3.41Å; F40-F44 HydrophobicContact CE1-CG 4.48Å; F40-F44 HydrophobicContact CE2-CB 4.1Å; F40-F44 HydrophobicContact CE2-CD2 4.09Å; F40-F44 HydrophobicContact CE2-CG 4.45Å; F40-F44 HydrophobicContact CZ-CB 3.19Å; F40-F44 HydrophobicContact CZ-CD2 4.03Å; F40-F44 AromaticContact CZ-CG 3.96Å; F40-F44 HydrophobicContact CZ-CG 3.96Å; S41-F44 PolarHBondContact O-N 3.13Å; S41-F44 WeakPolarHBondContact OG-CD2 3.41Å; S41-F44 WeakPolarHBondContact OG-CE2 3.38Å; F44-A48 PolarHBondContact O-N 3.34Å; F44-A48 VanDerWaalsContact O-N 3.09Å; F44-W102 HydrophobicContact CD1-CH2 4.41Å; F44-W102 AromaticContact CE1-CH2 3.79Å; F44-W102 HydrophobicContact CE1-CH2 3.79Å; F44-W102 AromaticContact CE1-CZ3 3.97Å; F44-W102 HydrophobicContact CE1-CZ3 3.97Å
45F88.4Confident88.3Confident104 Ų10499.2 Ų99.246%0.45652%0.523SS..Hα-helixtrans-67.4-41.9175.4177.6-106.1000112.1F40 M42 K43 A48 I49F40-F45 HydrophobicContact CD1-CB 4.49Å; F40-F45 HydrophobicContact CE1-CB 4.25Å; M42-F45 WeakPolarHBondContact O-CB 3.39Å; M42-F45 PolarHBondContact O-N 3.14Å; K43-F45 PolarHBondContact O-N 3.09Å; F45-A48 WeakPolarHBondContact O-CB 3.47Å; F45-A48 PolarHBondContact O-N 3.24Å; F45-I49 HydrophobicContact CD1-CD1 3.87Å; F45-I49 HydrophobicContact CE1-CD1 3.29Å; F45-I49 HydrophobicContact CE1-CG1 4.37Å; F45-I49 HydrophobicContact CE2-CD1 4.21Å; F45-I49 HydrophobicContact CZ-CD1 3.5Å; F45-I49 VanDerWaalsContact CZ-CD1 3.5Å; F45-I49 HydrophobicContact CZ-CG1 4.25Å; F45-I49 PolarHBondContact O-N 3.23Å; F45-I49 VanDerWaalsContact O-N 3.13Å
46L89.8Confident88.9Confident84 Ų8499 Ų9944%0.4452%0.517SS..Hα-helixtrans-61-45.7175.6-70.8170.1000111.5M42 K43 A48 I49 T50M42-L46 WeakPolarHBondContact O-CG 3.4Å; M42-L46 PolarHBondContact O-N 3.23Å; K43-L46 PolarHBondContact O-N 3.33Å; L46-A48 VanDerWaalsContact C-N 3.27Å; L46-A48 PolarHBondContact O-N 3.23Å; L46-I49 PolarHBondContact O-N 2.95Å; L46-I49 VanDerWaalsContact O-N 3.14Å; L46-T50 WeakPolarHBondContact O-CG2 3.49Å; L46-T50 PolarHBondContact O-N 3.2Å; L46-T50 PolarHBondContact O-OG1 3.27Å
47V91.4Very high89.6Confident47 Ų4795.9 Ų95.929%0.28548%0.484SS..Hα-helixtrans-59.6-37.8176.1175.80000111.8K43 T50 F51K43-V47 WeakPolarHBondContact O-CG2 2.87Å; K43-V47 PolarHBondContact O-N 3.09Å; K43-V47 VanDerWaalsContact O-N 3.15Å; V47-T50 PolarHBondContact O-N 2.93Å; V47-T50 PolarHBondContact O-OG1 3.23Å; V47-F51 VanDerWaalsContact O-CB 3.27Å; V47-F51 WeakPolarHBondContact O-CB 3.44Å; V47-F51 PolarHBondContact O-N 3.18Å
48A92.9Very high90.2Very high56 Ų5688.6 Ų88.646%0.46346%0.462SS..Hα-helixtrans-65.9-38.3177.300000112.5F44 F45 L46 L52F44-A48 PolarHBondContact O-N 3.34Å; F44-A48 VanDerWaalsContact O-N 3.09Å; F45-A48 WeakPolarHBondContact O-CB 3.47Å; F45-A48 PolarHBondContact O-N 3.24Å; L46-A48 VanDerWaalsContact C-N 3.27Å; L46-A48 PolarHBondContact O-N 3.23Å; A48-L52 WeakPolarHBondContact O-CB 3.26Å; A48-L52 PolarHBondContact O-N 3.37Å; A48-L52 VanDerWaalsContact O-N 3.09Å
49I93.3Very high91.1Very high70 Ų7086.3 Ų86.336%0.35945%0.453SS..Hα-helixtrans-67.6-44.2175.7-68.3166.9000110.5F45 L46 L52 L53F45-I49 HydrophobicContact CD1-CD1 3.87Å; F45-I49 HydrophobicContact CE1-CD1 3.29Å; F45-I49 HydrophobicContact CE1-CG1 4.37Å; F45-I49 HydrophobicContact CE2-CD1 4.21Å; F45-I49 HydrophobicContact CZ-CD1 3.5Å; F45-I49 VanDerWaalsContact CZ-CD1 3.5Å; F45-I49 HydrophobicContact CZ-CG1 4.25Å; F45-I49 PolarHBondContact O-N 3.23Å; F45-I49 VanDerWaalsContact O-N 3.13Å; L46-I49 PolarHBondContact O-N 2.95Å; L46-I49 VanDerWaalsContact O-N 3.14Å; I49-L52 WeakPolarHBondContact O-CB 3.47Å; I49-L52 PolarHBondContact O-N 3.46Å; I49-L52 VanDerWaalsContact O-N 3.15Å; I49-L53 HydrophobicContact CG2-CD1 4.23Å; I49-L53 WeakPolarHBondContact O-CG 3.49Å; I49-L53 PolarHBondContact O-N 2.89Å
50T93Very high91.8Very high26 Ų2685 Ų8516%0.1644%0.438CS..Hα-helixtrans-71-35.1-17759.60000111.6L46 V47 L52 L53 F54 E94L46-T50 WeakPolarHBondContact O-CG2 3.49Å; L46-T50 PolarHBondContact O-N 3.2Å; L46-T50 PolarHBondContact O-OG1 3.27Å; V47-T50 PolarHBondContact O-N 2.93Å; V47-T50 PolarHBondContact O-OG1 3.23Å; T50-L52 PolarHBondContact O-N 2.87Å; T50-L53 PolarHBondContact O-N 3.27Å; T50-F54 WeakPolarHBondContact O-CD2 3.32Å; T50-F54 WeakPolarHBondContact O-CG 3.16Å; T50-F54 PolarHBondContact O-N 3.46Å; T50-E94 WeakPolarHBondContact CB-OE1 3.49Å; T50-E94 VanDerWaalsContact CB-OE2 3.29Å; T50-E94 WeakPolarHBondContact CB-OE2 3.43Å; T50-E94 HydrophobicContact CG2-CG 4.42Å; T50-E94 WeakPolarHBondContact CG2-OE1 3.5Å; T50-E94 VanDerWaalsContact CG2-OE2 3.24Å; T50-E94 WeakPolarHBondContact CG2-OE2 3.49Å; T50-E94 PolarHBondContact OG1-OE1 3.09Å; T50-E94 VanDerWaalsContact OG1-OE1 3.05Å
51F94.4Very high92.6Very high138 Ų13879.8 Ų79.861%0.60542%0.417SS*.Hα-helixtrans-56-47.6165.4173.1-102.4000112.6V47 L53 F54 D55V47-F51 VanDerWaalsContact O-CB 3.27Å; V47-F51 WeakPolarHBondContact O-CB 3.44Å; V47-F51 PolarHBondContact O-N 3.18Å; F51-L53 PolarHBondContact O-N 2.89Å; F51-F54 PolarHBondContact O-N 3.46Å; F51-D55 WeakPolarHBondContact O-CB 3.27Å; F51-D55 PolarHBondContact O-N 3.09Å
52L95.9Very high93.1Very high111 Ų11183.2 Ų83.258%0.58143%0.431SS*.Hα-helixtrans-62.4-41.5-179.5-176.6152.2000112.3A48 I49 T50 L56A48-L52 WeakPolarHBondContact O-CB 3.26Å; A48-L52 PolarHBondContact O-N 3.37Å; A48-L52 VanDerWaalsContact O-N 3.09Å; I49-L52 WeakPolarHBondContact O-CB 3.47Å; I49-L52 PolarHBondContact O-N 3.46Å; I49-L52 VanDerWaalsContact O-N 3.15Å; T50-L52 PolarHBondContact O-N 2.87Å; L52-L56 PolarHBondContact O-N 3.47Å
53L95.6Very high93.6Very high93 Ų9379.3 Ų79.349%0.48742%0.416SS..Hα-helixtrans-66.4-45.1177.4-68.3175.3000111.5I49 T50 F51 D55 L56 E57I49-L53 HydrophobicContact CG2-CD1 4.23Å; I49-L53 WeakPolarHBondContact O-CG 3.49Å; I49-L53 PolarHBondContact O-N 2.89Å; T50-L53 PolarHBondContact O-N 3.27Å; F51-L53 PolarHBondContact O-N 2.89Å; L53-D55 VanDerWaalsContact C-N 3.35Å; L53-D55 PolarHBondContact O-N 3.28Å; L53-L56 WeakPolarHBondContact O-CB 3.47Å; L53-L56 PolarHBondContact O-N 2.98Å; L53-E57 PolarHBondContact O-N 3.39Å; L53-E57 VanDerWaalsContact O-N 3.09Å
54F95.9Very high94Very high41 Ų4176.6 Ų76.618%0.1841%0.406CS..Hα-helixtrans-66-35.1177.4-71.5-44.8000113T50 F51 L56 E57 I58 L87 S90 L91T50-F54 WeakPolarHBondContact O-CD2 3.32Å; T50-F54 WeakPolarHBondContact O-CG 3.16Å; T50-F54 PolarHBondContact O-N 3.46Å; F51-F54 PolarHBondContact O-N 3.46Å; F54-L56 VanDerWaalsContact C-N 3.31Å; F54-L56 PolarHBondContact O-N 3.44Å; F54-E57 PolarHBondContact O-N 3.36Å; F54-I58 WeakPolarHBondContact O-CB 3.42Å; F54-I58 VanDerWaalsContact O-CG1 3.26Å; F54-I58 WeakPolarHBondContact O-CG1 3.29Å; F54-I58 PolarHBondContact O-N 3.01Å; F54-L87 HydrophobicContact CD1-CD1 4.43Å; F54-L87 HydrophobicContact CD1-CD2 4.46Å; F54-L87 HydrophobicContact CD1-CG 3.97Å; F54-L87 HydrophobicContact CE1-CD2 4.37Å; F54-L87 HydrophobicContact CE1-CG 4.08Å; F54-S90 WeakPolarHBondContact CE1-OG 3.19Å; F54-L91 HydrophobicContact CE1-CB 4.36Å; F54-L91 HydrophobicContact CE2-CD1 3.9Å; F54-L91 HydrophobicContact CZ-CB 3.78Å; F54-L91 HydrophobicContact CZ-CD1 3.85Å; F54-L91 HydrophobicContact CZ-CG 4.42Å
55D97.1Very high94.4Very high91 Ų9175.8 Ų75.849%0.48741%0.412SS..Hα-helixtrans-63.2-38.7175.6-166.136000111.4F51 L53 I58 A59F51-D55 WeakPolarHBondContact O-CB 3.27Å; F51-D55 PolarHBondContact O-N 3.09Å; L53-D55 VanDerWaalsContact C-N 3.35Å; L53-D55 PolarHBondContact O-N 3.28Å; D55-I58 PolarHBondContact O-N 3.48Å; D55-A59 WeakPolarHBondContact O-CB 3.39Å; D55-A59 PolarHBondContact O-N 2.91Å
56L96.8Very high94.7Very high99 Ų9980 Ų8052%0.51843%0.425SS..Hα-helixtrans-63.6-46.9173.1-169.7164.7000111.5L52 L53 F54 I58 A59 L60L52-L56 PolarHBondContact O-N 3.47Å; L53-L56 WeakPolarHBondContact O-CB 3.47Å; L53-L56 PolarHBondContact O-N 2.98Å; F54-L56 VanDerWaalsContact C-N 3.31Å; F54-L56 PolarHBondContact O-N 3.44Å; L56-I58 VanDerWaalsContact C-N 3.34Å; L56-I58 PolarHBondContact O-N 3.15Å; L56-A59 WeakPolarHBondContact O-CB 3.46Å; L56-A59 PolarHBondContact O-N 3.25Å; L56-L60 HydrophobicContact CD2-CD1 3.77Å; L56-L60 HydrophobicContact CD2-CG 4.19Å; L56-L60 PolarHBondContact O-N 3.3Å; L56-L60 VanDerWaalsContact O-N 3.09Å
57E95.6Very high94.8Very high41 Ų4177.3 Ų77.319%0.19241%0.414CS..Hα-helixtrans-63.7-38.6178.5-68.3-178.5173.900112.2L53 F54 L60 L61 L83 L87L53-E57 PolarHBondContact O-N 3.39Å; L53-E57 VanDerWaalsContact O-N 3.09Å; F54-E57 PolarHBondContact O-N 3.36Å; E57-L60 WeakPolarHBondContact O-CB 3.14Å; E57-L60 PolarHBondContact O-N 3.05Å; E57-L61 PolarHBondContact O-N 2.99Å; E57-L83 HydrophobicContact CB-CD2 4.42Å; E57-L87 HydrophobicContact CB-CD1 3.97Å; E57-L87 WeakPolarHBondContact OE2-CA 3.45Å; E57-L87 VanDerWaalsContact OE2-CB 3.24Å; E57-L87 WeakPolarHBondContact OE2-CB 3.49Å; E57-L87 WeakPolarHBondContact OE2-CD1 3.25Å; E57-L87 WeakPolarHBondContact OE2-CG 3.43Å
58I96.3Very high94.9Very high85 Ų8580.4 Ų80.444%0.43643%0.428SS..Hα-helixtrans-64.7-41173.1-69166.3000110.6F54 D55 L56 L60 L61 L62F54-I58 WeakPolarHBondContact O-CB 3.42Å; F54-I58 VanDerWaalsContact O-CG1 3.26Å; F54-I58 WeakPolarHBondContact O-CG1 3.29Å; F54-I58 PolarHBondContact O-N 3.01Å; D55-I58 PolarHBondContact O-N 3.48Å; L56-I58 VanDerWaalsContact C-N 3.34Å; L56-I58 PolarHBondContact O-N 3.15Å; I58-L60 PolarHBondContact O-N 3.42Å; I58-L61 CarbonylContact O-C 3.56Å; I58-L61 WeakPolarHBondContact O-CA 3.24Å; I58-L61 WeakPolarHBondContact O-CB 2.98Å; I58-L61 PolarHBondContact O-N 3.15Å; I58-L62 PolarHBondContact O-N 3.25Å
59A97.3Very high94.8Very high54 Ų5485.7 Ų85.745%0.44644%0.443SS..Hα-helixtrans-59.4-33.6175.700000112.2D55 L56 P63D55-A59 WeakPolarHBondContact O-CB 3.39Å; D55-A59 PolarHBondContact O-N 2.91Å; L56-A59 WeakPolarHBondContact O-CB 3.46Å; L56-A59 PolarHBondContact O-N 3.25Å; A59-P63 WeakPolarHBondContact O-CD 3.29Å
60L95.3Very high94.8Very high100 Ų10085.4 Ų85.452%0.52445%0.445SS..Hα-helixtrans-71.5-26.3172.6-65.8171.8000113.3L56 E57 I58 P63 L83L56-L60 HydrophobicContact CD2-CD1 3.77Å; L56-L60 HydrophobicContact CD2-CG 4.19Å; L56-L60 PolarHBondContact O-N 3.3Å; L56-L60 VanDerWaalsContact O-N 3.09Å; E57-L60 WeakPolarHBondContact O-CB 3.14Å; E57-L60 PolarHBondContact O-N 3.05Å; I58-L60 PolarHBondContact O-N 3.42Å; L60-P63 WeakPolarHBondContact O-CD 3.22Å; L60-P63 WeakPolarHBondContact O-CG 3.44Å; L60-L83 HydrophobicContact CB-CD1 3.9Å; L60-L83 HydrophobicContact CD1-CD1 4.44Å
61L95.5Very high94.7Very high35 Ų3590.7 Ų90.718%0.18348%0.477CS..Hα-helixtrans-84.5-22.7176.1-68.7171.1000113.5E57 I58 P63 L64 L83 I84 L87E57-L61 PolarHBondContact O-N 2.99Å; I58-L61 CarbonylContact O-C 3.56Å; I58-L61 WeakPolarHBondContact O-CA 3.24Å; I58-L61 WeakPolarHBondContact O-CB 2.98Å; I58-L61 PolarHBondContact O-N 3.15Å; L61-P63 VanDerWaalsContact C-CD 3.41Å; L61-L64 HydrophobicContact CB-CD1 4.18Å; L61-L64 HydrophobicContact CD2-CD1 3.63Å; L61-L64 HydrophobicContact CD2-CG 4.46Å; L61-L64 VanDerWaalsContact O-CB 3.29Å; L61-L64 WeakPolarHBondContact O-CB 3.39Å; L61-L64 WeakPolarHBondContact O-CD1 3.44Å; L61-L64 WeakPolarHBondContact O-CG 3.13Å; L61-L64 PolarHBondContact O-N 3.13Å; L61-L64 VanDerWaalsContact O-N 3.12Å; L61-L83 HydrophobicContact CD1-CD2 4.14Å; L61-L83 HydrophobicContact CD2-CB 4.37Å; L61-L83 HydrophobicContact CD2-CD1 4.31Å; L61-L83 HydrophobicContact CD2-CD2 3.94Å; L61-L83 HydrophobicContact CD2-CG 4.43Å; L61-L83 HydrophobicContact CG-CD2 3.86Å; L61-I84 HydrophobicContact CD1-CG1 4.32Å; L61-I84 HydrophobicContact CD2-CG1 4.09Å; L61-L87 HydrophobicContact CD1-CD1 4.43Å
62L96.3Very high94.7Very high122 Ų12288.8 Ų88.864%0.63947%0.474SS*.THydrogen-bonded Turntrans-52.3-38.9178-76.8175.3000115.9I58 L64 P65I58-L62 PolarHBondContact O-N 3.25Å; L62-L64 PolarHBondContact O-N 3.04Å; L62-P65 WeakPolarHBondContact O-CD 3.48Å
63P94.2Very high94.6Very high59 Ų5987.6 Ų87.638%0.38347%0.467SS..THydrogen-bonded Turntrans-75.30.6-179.929.2-36000114.7A59 L60 L61 P65 W66 A67A59-P63 WeakPolarHBondContact O-CD 3.29Å; L60-P63 WeakPolarHBondContact O-CD 3.22Å; L60-P63 WeakPolarHBondContact O-CG 3.44Å; L61-P63 VanDerWaalsContact C-CD 3.41Å; P63-P65 VanDerWaalsContact C-CD 3.46Å; P63-W66 HydrophobicContact CB-CE3 4.06Å; P63-W66 PolarHBondContact O-N 3.16Å; P63-W66 VanDerWaalsContact O-N 3.1Å; P63-A67 PolarHBondContact O-N 3.17Å
64L94.1Very high94.5Very high50 Ų5087.8 Ų87.826%0.26247%0.474SS..Hα-helixtrans-55.2-41-178.4-74.5175.6000115L61 L62 W66 A67 L68L61-L64 HydrophobicContact CB-CD1 4.18Å; L61-L64 HydrophobicContact CD2-CD1 3.63Å; L61-L64 HydrophobicContact CD2-CG 4.46Å; L61-L64 VanDerWaalsContact O-CB 3.29Å; L61-L64 WeakPolarHBondContact O-CB 3.39Å; L61-L64 WeakPolarHBondContact O-CD1 3.44Å; L61-L64 WeakPolarHBondContact O-CG 3.13Å; L61-L64 PolarHBondContact O-N 3.13Å; L61-L64 VanDerWaalsContact O-N 3.12Å; L62-L64 PolarHBondContact O-N 3.04Å; L64-W66 PolarHBondContact O-N 3.22Å; L64-A67 WeakPolarHBondContact O-CB 3.46Å; L64-A67 PolarHBondContact O-N 3.03Å; L64-L68 PolarHBondContact O-N 3.24Å; L64-L68 VanDerWaalsContact O-N 3.17Å
65P93.5Very high94.4Very high86 Ų8691.6 Ų91.656%0.55850%0.496SS*.Hα-helixtrans-59.1-33.8177.4-25.136.2000113.1L62 P63L62-P65 WeakPolarHBondContact O-CD 3.48Å; P63-P65 VanDerWaalsContact C-CD 3.46Å
66W93.9Very high94.3Very high193 Ų19388.2 Ų88.273%0.73148%0.477SS*.Hα-helixtrans-77.3-34.6174.2-59.3-45.3000111.8P63 L64 L68 Q69P63-W66 HydrophobicContact CB-CE3 4.06Å; P63-W66 PolarHBondContact O-N 3.16Å; P63-W66 VanDerWaalsContact O-N 3.1Å; L64-W66 PolarHBondContact O-N 3.22Å; W66-L68 PolarHBondContact O-N 3.1Å; W66-Q69 PolarHBondContact O-N 3.16Å; W66-Q69 VanDerWaalsContact O-N 3.13Å
67A93.1Very high94.2Very high26 Ų2686.6 Ų86.622%0.21547%0.472CS..Hα-helixtrans-64.1-21.2177.900000113.5P63 L64 Q69 T70 M76P63-A67 PolarHBondContact O-N 3.17Å; L64-A67 WeakPolarHBondContact O-CB 3.46Å; L64-A67 PolarHBondContact O-N 3.03Å; A67-Q69 PolarHBondContact O-N 2.75Å; A67-Q69 VanDerWaalsContact O-N 3.16Å; A67-T70 WeakPolarHBondContact O-CB 3.46Å; A67-T70 VanDerWaalsContact O-CG2 3.22Å; A67-T70 WeakPolarHBondContact O-CG2 3.2Å; A67-T70 PolarHBondContact O-N 3.12Å; A67-T70 VanDerWaalsContact O-N 3.16Å; A67-T70 PolarHBondContact O-OG1 3.03Å; A67-M76 HydrophobicContact CB-CG 3.83Å
68L92.1Very high94.2Very high112 Ų11290.5 Ų90.559%0.58649%0.491SS*.THydrogen-bonded Turntrans-60-20172.5-68.7175.3000113.7L64 W66 T70 L73 M76L64-L68 PolarHBondContact O-N 3.24Å; L64-L68 VanDerWaalsContact O-N 3.17Å; W66-L68 PolarHBondContact O-N 3.1Å; L68-T70 VanDerWaalsContact C-N 3.31Å; L68-L73 WeakPolarHBondContact O-CD2 3.43Å; L68-M76 HydrophobicContact CD2-CE 3.82Å; L68-M76 HydrophobicContact CD2-SD 4.49Å
69Q92.6Very high94.1Very high167 Ų16789.8 Ų89.878%0.7849%0.494SS*.THydrogen-bonded Turntrans-88.93.2-179.8-59.91771.600113.1W66 A67W66-Q69 PolarHBondContact O-N 3.16Å; W66-Q69 VanDerWaalsContact O-N 3.13Å; A67-Q69 PolarHBondContact O-N 2.75Å; A67-Q69 VanDerWaalsContact O-N 3.16Å
70T93.1Very high94Very high64 Ų6488 Ų8839%0.39348%0.478SS..SBendtrans-73.5153.2-178580000112.5A67 L68 N72A67-T70 WeakPolarHBondContact O-CB 3.46Å; A67-T70 VanDerWaalsContact O-CG2 3.22Å; A67-T70 WeakPolarHBondContact O-CG2 3.2Å; A67-T70 PolarHBondContact O-N 3.12Å; A67-T70 VanDerWaalsContact O-N 3.16Å; A67-T70 PolarHBondContact O-OG1 3.03Å; L68-T70 VanDerWaalsContact C-N 3.31Å; T70-N72 VanDerWaalsContact C-N 3.3Å; T70-N72 PolarHBondContact O-N 3.47Å
71T90.3Very high94Very high137 Ų13787 Ų8784%0.8447%0.473SS*.SBendtrans-68-30.717852.50000112.6
72N93.7Very high94.1Very high98 Ų9890.4 Ų90.452%0.52449%0.49SS..  trans-104.267.7-178.3-71.1-36.2000112T70 P74 L75 M76T70-N72 VanDerWaalsContact C-N 3.3Å; T70-N72 PolarHBondContact O-N 3.47Å; N72-P74 VanDerWaalsContact C-CD 3.46Å; N72-L75 HydrophobicContact CB-CB 4.25Å; N72-L75 PolarHBondContact O-N 2.86Å; N72-M76 PolarHBondContact O-N 3.29Å
73L93.4Very high94.1Very high86 Ų8686.6 Ų86.645%0.4547%0.471SS..Hα-helixtrans-50.7-46.1175-69.5176.3000115.4L68 L75 M76 V77L68-L73 WeakPolarHBondContact O-CD2 3.43Å; L73-L75 VanDerWaalsContact C-N 3.31Å; L73-L75 PolarHBondContact O-N 3.25Å; L73-M76 HydrophobicContact CD2-CE 3.56Å; L73-M76 PolarHBondContact O-N 3.13Å; L73-V77 WeakPolarHBondContact O-CG2 3.24Å; L73-V77 PolarHBondContact O-N 3.13Å
74P94.3Very high94.2Very high97 Ų9787.6 Ų87.663%0.6347%0.472SS*.Hα-helixtrans-65.2-35.7-176.523.9-33.6000112.5N72 M78N72-P74 VanDerWaalsContact C-CD 3.46Å; P74-M78 WeakPolarHBondContact O-CB 3.36Å; P74-M78 WeakPolarHBondContact O-CG 3.4Å; P74-M78 PolarHBondContact O-N 3.32Å
75L94.3Very high94.3Very high121 Ų12189.8 Ų89.863%0.63448%0.483SS*.Hα-helixtrans-67.5-44.5177.2-178.465.6000111.1N72 L73 M78 S79N72-L75 HydrophobicContact CB-CB 4.25Å; N72-L75 PolarHBondContact O-N 2.86Å; L73-L75 VanDerWaalsContact C-N 3.31Å; L73-L75 PolarHBondContact O-N 3.25Å; L75-M78 PolarHBondContact O-N 3.32Å; L75-S79 WeakPolarHBondContact O-CB 3.45Å; L75-S79 PolarHBondContact O-N 3.21Å; L75-S79 PolarHBondContact O-OG 2.75Å
76M94.7Very high94.5Very high20 Ų2089.9 Ų89.910%0.09948%0.478CS..Hα-helixtrans-59.5-49.6177.1172.3-85.3-64.300111A67 L68 N72 L73 M78 S79 S80A67-M76 HydrophobicContact CB-CG 3.83Å; L68-M76 HydrophobicContact CD2-CE 3.82Å; L68-M76 HydrophobicContact CD2-SD 4.49Å; N72-M76 PolarHBondContact O-N 3.29Å; L73-M76 HydrophobicContact CD2-CE 3.56Å; L73-M76 PolarHBondContact O-N 3.13Å; M76-M78 PolarHBondContact O-N 3.16Å; M76-S79 PolarHBondContact O-N 3.07Å; M76-S79 PolarHBondContact O-OG 3.46Å; M76-S80 PolarHBondContact O-N 3.37Å; M76-S80 PolarHBondContact O-OG 3.3Å
77V94.9Very high94.6Very high66 Ų6682.6 Ų82.640%0.445%0.453SS..Hα-helixtrans-61.4-42.3178.3172.60000111.9L73 S80 L81L73-V77 WeakPolarHBondContact O-CG2 3.24Å; L73-V77 PolarHBondContact O-N 3.13Å; V77-S80 WeakPolarHBondContact CA-OG 3.38Å; V77-S80 PolarHBondContact O-N 2.98Å; V77-S80 PolarHBondContact O-OG 3.27Å; V77-L81 HydrophobicContact CG1-CD1 3.78Å; V77-L81 HydrophobicContact CG1-CG 4.35Å; V77-L81 WeakPolarHBondContact O-CB 3.49Å; V77-L81 VanDerWaalsContact O-CG 3.28Å; V77-L81 WeakPolarHBondContact O-CG 3.46Å; V77-L81 PolarHBondContact O-N 2.98Å
78M95.8Very high94.7Very high123 Ų12383.9 Ų83.961%0.60646%0.464SS*.Hα-helixtrans-61.5-45.5176.1-74-87.786.600111.6P74 L75 M76 L81 L82P74-M78 WeakPolarHBondContact O-CB 3.36Å; P74-M78 WeakPolarHBondContact O-CG 3.4Å; P74-M78 PolarHBondContact O-N 3.32Å; L75-M78 PolarHBondContact O-N 3.32Å; M76-M78 PolarHBondContact O-N 3.16Å; M78-L81 HydrophobicContact CE-CD1 4.26Å; M78-L82 WeakPolarHBondContact O-CB 3.36Å; M78-L82 PolarHBondContact O-N 2.96Å
79S93.9Very high95Very high69 Ų6984 Ų8448%0.48346%0.464SS..Hα-helixtrans-65.9-40.1179.668.50000112.8L75 M76 L82 L83L75-S79 WeakPolarHBondContact O-CB 3.45Å; L75-S79 PolarHBondContact O-N 3.21Å; L75-S79 PolarHBondContact O-OG 2.75Å; M76-S79 PolarHBondContact O-N 3.07Å; M76-S79 PolarHBondContact O-OG 3.46Å; S79-L82 PolarHBondContact O-N 3.04Å; S79-L83 PolarHBondContact O-N 3.42Å; S79-L83 VanDerWaalsContact O-N 3.08Å
80S95Very high95Very high17 Ų1778 Ų7812%0.11944%0.441CS..Hα-helixtrans-68.9-41178.363.30000112M76 V77 L82 L83 I84M76-S80 PolarHBondContact O-N 3.37Å; M76-S80 PolarHBondContact O-OG 3.3Å; V77-S80 WeakPolarHBondContact CA-OG 3.38Å; V77-S80 PolarHBondContact O-N 2.98Å; V77-S80 PolarHBondContact O-OG 3.27Å; S80-L82 VanDerWaalsContact C-N 3.34Å; S80-L83 PolarHBondContact O-N 3.21Å; S80-I84 VanDerWaalsContact O-CG1 3.31Å; S80-I84 WeakPolarHBondContact O-CG1 3.31Å; S80-I84 PolarHBondContact O-N 2.92Å
81L96.1Very high95.1Very high80 Ų8078.5 Ų78.542%0.41944%0.441SS..Hα-helixtrans-63.6-41.3175.2-76.3170.6000111.4V77 M78 L83 I84 I85V77-L81 HydrophobicContact CG1-CD1 3.78Å; V77-L81 HydrophobicContact CG1-CG 4.35Å; V77-L81 WeakPolarHBondContact O-CB 3.49Å; V77-L81 VanDerWaalsContact O-CG 3.28Å; V77-L81 WeakPolarHBondContact O-CG 3.46Å; V77-L81 PolarHBondContact O-N 2.98Å; M78-L81 HydrophobicContact CE-CD1 4.26Å; L81-L83 VanDerWaalsContact C-N 3.32Å; L81-L83 PolarHBondContact O-N 3.32Å; L81-I84 PolarHBondContact O-N 2.94Å; L81-I85 WeakPolarHBondContact O-CD1 3.3Å; L81-I85 VanDerWaalsContact O-CG1 3.24Å; L81-I85 WeakPolarHBondContact O-CG1 3.44Å; L81-I85 PolarHBondContact O-N 3.37Å
82L96.4Very high95.4Very high105 Ų10574.1 Ų74.155%0.5542%0.418SS..Hα-helixtrans-59.6-43.7175.8-177.7148.4000111.4M78 S79 S80 I85 I86M78-L82 WeakPolarHBondContact O-CB 3.36Å; M78-L82 PolarHBondContact O-N 2.96Å; S79-L82 PolarHBondContact O-N 3.04Å; S80-L82 VanDerWaalsContact C-N 3.34Å; L82-I85 PolarHBondContact O-N 3.41Å; L82-I86 HydrophobicContact CD2-CD1 3.53Å; L82-I86 HydrophobicContact CD2-CG1 4.44Å; L82-I86 HydrophobicContact CG-CD1 4.37Å; L82-I86 WeakPolarHBondContact O-CG1 3.37Å; L82-I86 PolarHBondContact O-N 3.08Å
83L95.9Very high95.4Very high43 Ų4376.7 Ų76.723%0.22542%0.422CS..Hα-helixtrans-63.5-45.1177.9-156.6163.8000111.4E57 L60 L61 S79 S80 L81 I85 I86 L87E57-L83 HydrophobicContact CB-CD2 4.42Å; L60-L83 HydrophobicContact CB-CD1 3.9Å; L60-L83 HydrophobicContact CD1-CD1 4.44Å; L61-L83 HydrophobicContact CD1-CD2 4.14Å; L61-L83 HydrophobicContact CD2-CB 4.37Å; L61-L83 HydrophobicContact CD2-CD1 4.31Å; L61-L83 HydrophobicContact CD2-CD2 3.94Å; L61-L83 HydrophobicContact CD2-CG 4.43Å; L61-L83 HydrophobicContact CG-CD2 3.86Å; S79-L83 PolarHBondContact O-N 3.42Å; S79-L83 VanDerWaalsContact O-N 3.08Å; S80-L83 PolarHBondContact O-N 3.21Å; L81-L83 VanDerWaalsContact C-N 3.32Å; L81-L83 PolarHBondContact O-N 3.32Å; L83-I85 VanDerWaalsContact C-N 3.32Å; L83-I85 PolarHBondContact O-N 2.99Å; L83-I86 PolarHBondContact O-N 3.23Å; L83-L87 PolarHBondContact O-N 3.29Å
84I96.7Very high95.4Very high80 Ų8073.7 Ų73.741%0.4141%0.406SS..Hα-helixtrans-62-39.4176.8-66.2164.7000111.5L61 S80 L81 L87 A88L61-I84 HydrophobicContact CD1-CG1 4.32Å; L61-I84 HydrophobicContact CD2-CG1 4.09Å; S80-I84 VanDerWaalsContact O-CG1 3.31Å; S80-I84 WeakPolarHBondContact O-CG1 3.31Å; S80-I84 PolarHBondContact O-N 2.92Å; L81-I84 PolarHBondContact O-N 2.94Å; I84-L87 PolarHBondContact O-N 3.4Å; I84-A88 WeakPolarHBondContact O-CB 3.45Å; I84-A88 PolarHBondContact O-N 2.92Å
85I97.4Very high95.3Very high96 Ų9677 Ų7749%0.49241%0.406SS..Hα-helixtrans-64.7-42.2177.3-70.9163.6000110.8L81 L82 L83 A88 L89L81-I85 WeakPolarHBondContact O-CD1 3.3Å; L81-I85 VanDerWaalsContact O-CG1 3.24Å; L81-I85 WeakPolarHBondContact O-CG1 3.44Å; L81-I85 PolarHBondContact O-N 3.37Å; L82-I85 PolarHBondContact O-N 3.41Å; L83-I85 VanDerWaalsContact C-N 3.32Å; L83-I85 PolarHBondContact O-N 2.99Å; I85-A88 PolarHBondContact O-N 3.33Å; I85-L89 HydrophobicContact CG2-CD1 3.91Å; I85-L89 HydrophobicContact CG2-CG 4.35Å; I85-L89 WeakPolarHBondContact O-CB 3.46Å; I85-L89 WeakPolarHBondContact O-CG 3.32Å; I85-L89 PolarHBondContact O-N 3.45Å
86I96.4Very high95.3Very high88 Ų8877.8 Ų77.845%0.45141%0.41SS..Hα-helixtrans-61.8-45.2177.1-69.2171.2000110.6L82 L83 A88 L89 S90L82-I86 HydrophobicContact CD2-CD1 3.53Å; L82-I86 HydrophobicContact CD2-CG1 4.44Å; L82-I86 HydrophobicContact CG-CD1 4.37Å; L82-I86 WeakPolarHBondContact O-CG1 3.37Å; L82-I86 PolarHBondContact O-N 3.08Å; L83-I86 PolarHBondContact O-N 3.23Å; I86-A88 VanDerWaalsContact C-N 3.34Å; I86-A88 PolarHBondContact O-N 3.04Å; I86-L89 PolarHBondContact O-N 3.49Å; I86-S90 PolarHBondContact O-N 3.04Å; I86-S90 PolarHBondContact O-OG 3.31Å
87L96Very high95.2Very high40 Ų4082.4 Ų82.421%0.20943%0.431CS..Hα-helixtrans-59.7-43.4175.8-172.9156.6000111.8F54 E57 L61 L83 I84 L89 S90 L91F54-L87 HydrophobicContact CD1-CD1 4.43Å; F54-L87 HydrophobicContact CD1-CD2 4.46Å; F54-L87 HydrophobicContact CD1-CG 3.97Å; F54-L87 HydrophobicContact CE1-CD2 4.37Å; F54-L87 HydrophobicContact CE1-CG 4.08Å; E57-L87 HydrophobicContact CB-CD1 3.97Å; E57-L87 WeakPolarHBondContact OE2-CA 3.45Å; E57-L87 VanDerWaalsContact OE2-CB 3.24Å; E57-L87 WeakPolarHBondContact OE2-CB 3.49Å; E57-L87 WeakPolarHBondContact OE2-CD1 3.25Å; E57-L87 WeakPolarHBondContact OE2-CG 3.43Å; L61-L87 HydrophobicContact CD1-CD1 4.43Å; L83-L87 PolarHBondContact O-N 3.29Å; I84-L87 PolarHBondContact O-N 3.4Å; L87-L89 VanDerWaalsContact C-N 3.34Å; L87-L89 PolarHBondContact O-N 3.22Å; L87-S90 WeakPolarHBondContact CA-OG 3.34Å; L87-S90 PolarHBondContact O-OG 2.95Å; L87-L91 PolarHBondContact O-N 3.33Å; L87-L91 VanDerWaalsContact O-N 3.14Å
88A96.4Very high94.8Very high53 Ų5386.3 Ų86.344%0.43844%0.442SS..Hα-helixtrans-65.9-38177.600000112.1I84 I85 I86 A92I84-A88 WeakPolarHBondContact O-CB 3.45Å; I84-A88 PolarHBondContact O-N 2.92Å; I85-A88 PolarHBondContact O-N 3.33Å; I86-A88 VanDerWaalsContact C-N 3.34Å; I86-A88 PolarHBondContact O-N 3.04Å; A88-A92 VanDerWaalsContact O-CB 3.3Å; A88-A92 WeakPolarHBondContact O-CB 3.35Å; A88-A92 PolarHBondContact O-N 3.41Å
89L96.8Very high94.2Very high114 Ų11481.6 Ų81.660%0.59743%0.425SS*.Hα-helixtrans-69.6-40.6177.5-75.9172000112.4I85 I86 L87 A92 Y93I85-L89 HydrophobicContact CG2-CD1 3.91Å; I85-L89 HydrophobicContact CG2-CG 4.35Å; I85-L89 WeakPolarHBondContact O-CB 3.46Å; I85-L89 WeakPolarHBondContact O-CG 3.32Å; I85-L89 PolarHBondContact O-N 3.45Å; I86-L89 PolarHBondContact O-N 3.49Å; L87-L89 VanDerWaalsContact C-N 3.34Å; L87-L89 PolarHBondContact O-N 3.22Å; L89-A92 PolarHBondContact O-N 2.89Å; L89-Y93 WeakPolarHBondContact O-CB 3.28Å; L89-Y93 PolarHBondContact O-N 2.96Å
90S94.6Very high93.8Very high42 Ų4280.6 Ų80.629%0.29441%0.414SS..Hα-helixtrans-63.2-43.6176.8590000111F54 I86 L87 Y93 E94F54-S90 WeakPolarHBondContact CE1-OG 3.19Å; I86-S90 PolarHBondContact O-N 3.04Å; I86-S90 PolarHBondContact O-OG 3.31Å; L87-S90 WeakPolarHBondContact CA-OG 3.34Å; L87-S90 PolarHBondContact O-OG 2.95Å; S90-Y93 PolarHBondContact O-N 2.91Å; S90-E94 PolarHBondContact O-N 3.45Å
91L94.7Very high93.4Very high73 Ų7382.7 Ų82.738%0.38242%0.424SS..Hα-helixtrans-62.6-45.7174-176.168000112.4F54 L87 Y93 E94 W95 L100F54-L91 HydrophobicContact CE1-CB 4.36Å; F54-L91 HydrophobicContact CE2-CD1 3.9Å; F54-L91 HydrophobicContact CZ-CB 3.78Å; F54-L91 HydrophobicContact CZ-CD1 3.85Å; F54-L91 HydrophobicContact CZ-CG 4.42Å; L87-L91 PolarHBondContact O-N 3.33Å; L87-L91 VanDerWaalsContact O-N 3.14Å; L91-Y93 VanDerWaalsContact C-N 3.29Å; L91-Y93 PolarHBondContact O-N 3.37Å; L91-E94 PolarHBondContact O-N 3.14Å; L91-W95 WeakPolarHBondContact O-CB 3.17Å; L91-W95 PolarHBondContact O-N 2.98Å; L91-L100 HydrophobicContact CD1-CD1 4.16Å
92A95.8Very high92.5Very high45 Ų4587.8 Ų87.837%0.37244%0.438SS..Hα-helixtrans-61.7-38.8178.300000111.8A88 L89 L96A88-A92 VanDerWaalsContact O-CB 3.3Å; A88-A92 WeakPolarHBondContact O-CB 3.35Å; A88-A92 PolarHBondContact O-N 3.41Å; L89-A92 PolarHBondContact O-N 2.89Å; A92-L96 WeakPolarHBondContact O-CB 3.4Å; A92-L96 VanDerWaalsContact O-CG 3.25Å; A92-L96 WeakPolarHBondContact O-CG 3.36Å; A92-L96 PolarHBondContact O-N 3.41Å
93Y94.8Very high91Very high152 Ų15287.6 Ų87.660%0.59644%0.441SS*.Hα-helixtrans-63.1-48.1175.5177.8-97.9000111.7L89 S90 L91 W95 L96 Q97L89-Y93 WeakPolarHBondContact O-CB 3.28Å; L89-Y93 PolarHBondContact O-N 2.96Å; S90-Y93 PolarHBondContact O-N 2.91Å; L91-Y93 VanDerWaalsContact C-N 3.29Å; L91-Y93 PolarHBondContact O-N 3.37Å; Y93-W95 VanDerWaalsContact C-N 3.31Å; Y93-W95 PolarHBondContact O-N 3.27Å; Y93-L96 PolarHBondContact O-N 3.4Å; Y93-Q97 HydrophobicContact CD1-CG 4.42Å; Y93-Q97 HydrophobicContact CE1-CG 4.01Å; Y93-Q97 HydrophobicContact CE2-CG 4.16Å; Y93-Q97 WeakPolarHBondContact O-CG 3.35Å; Y93-Q97 PolarHBondContact O-N 3.06Å
94E93.4Very high89.1Confident24 Ų2498.1 Ų98.111%0.11249%0.49CS..Hα-helixtrans-62.5-39.3179.1-166.9-175.7175.400112.1T50 S90 L91 Q97 K98 G99 L100T50-E94 WeakPolarHBondContact CB-OE1 3.49Å; T50-E94 VanDerWaalsContact CB-OE2 3.29Å; T50-E94 WeakPolarHBondContact CB-OE2 3.43Å; T50-E94 HydrophobicContact CG2-CG 4.42Å; T50-E94 WeakPolarHBondContact CG2-OE1 3.5Å; T50-E94 VanDerWaalsContact CG2-OE2 3.24Å; T50-E94 WeakPolarHBondContact CG2-OE2 3.49Å; T50-E94 PolarHBondContact OG1-OE1 3.09Å; T50-E94 VanDerWaalsContact OG1-OE1 3.05Å; S90-E94 PolarHBondContact O-N 3.45Å; L91-E94 PolarHBondContact O-N 3.14Å; E94-Q97 PolarHBondContact O-N 3.35Å; E94-K98 PolarHBondContact O-N 2.91Å; E94-G99 PolarHBondContact O-N 3.46Å; E94-G99 VanDerWaalsContact O-N 3.13Å; E94-L100 HydrophobicContact CG-CG 4.17Å
95W92Very high88.7Confident166 Ų16699.1 Ų99.163%0.62949%0.493SS*.Hα-helixtrans-61.9-48.4174.5-169-65.3000111.7L91 Y93 Q97 K98 L100L91-W95 WeakPolarHBondContact O-CB 3.17Å; L91-W95 PolarHBondContact O-N 2.98Å; Y93-W95 VanDerWaalsContact C-N 3.31Å; Y93-W95 PolarHBondContact O-N 3.27Å; W95-Q97 PolarHBondContact O-N 2.96Å; W95-K98 PolarHBondContact O-N 3.3Å; W95-L100 HydrophobicContact CE3-CD1 4.08Å
96L94.3Very high88.3Confident137 Ų13799.2 Ų99.272%0.71749%0.494SS*.Hα-helixtrans-62.4-32.6179.5-74.8169.4000112.5A92 Y93 K98A92-L96 WeakPolarHBondContact O-CB 3.4Å; A92-L96 VanDerWaalsContact O-CG 3.25Å; A92-L96 WeakPolarHBondContact O-CG 3.36Å; A92-L96 PolarHBondContact O-N 3.41Å; Y93-L96 PolarHBondContact O-N 3.4Å; L96-K98 PolarHBondContact O-N 3.03Å
97Q91Very high87.8Confident118 Ų11899.8 Ų99.855%0.55150%0.496SS*.THydrogen-bonded Turntrans-79.45.3176.4-64.6-61.6-12.900113.8Y93 E94 W95 G99Y93-Q97 HydrophobicContact CD1-CG 4.42Å; Y93-Q97 HydrophobicContact CE1-CG 4.01Å; Y93-Q97 HydrophobicContact CE2-CG 4.16Å; Y93-Q97 WeakPolarHBondContact O-CG 3.35Å; Y93-Q97 PolarHBondContact O-N 3.06Å; E94-Q97 PolarHBondContact O-N 3.35Å; W95-Q97 PolarHBondContact O-N 2.96Å; Q97-G99 PolarHBondContact O-N 3.32Å; Q97-G99 VanDerWaalsContact O-N 3.13Å
98K87.9Confident87.3Confident147 Ų147103.4 Ų103.464%0.63951%0.513SS*.THydrogen-bonded Turntrans57.922.6-177.5-54-171.8173-1750113.4E94 W95 L96 L100 D101E94-K98 PolarHBondContact O-N 2.91Å; W95-K98 PolarHBondContact O-N 3.3Å; L96-K98 PolarHBondContact O-N 3.03Å; K98-L100 PolarHBondContact O-N 3.32Å; K98-D101 HydrophobicContact CB-CB 4.03Å; K98-D101 WeakPolarHBondContact CB-OD2 3.4Å; K98-D101 WeakPolarHBondContact CD-OD2 3.24Å; K98-D101 WeakPolarHBondContact CG-OD2 3.48Å; K98-D101 PolarHBondContact O-N 3.39Å; K98-D101 VanDerWaalsContact O-N 3.16Å
99G83.5Confident86.8Confident24 Ų24106.5 Ų106.525%0.24752%0.517CS..THydrogen-bonded Turntrans-62.5-26.7175.300000111.9E94 Q97E94-G99 PolarHBondContact O-N 3.46Å; E94-G99 VanDerWaalsContact O-N 3.13Å; Q97-G99 PolarHBondContact O-N 3.32Å; Q97-G99 VanDerWaalsContact O-N 3.13Å
100L85.4Confident86.1Confident48 Ų48106 Ų10625%0.25151%0.512SS..THydrogen-bonded Turntrans-101.912179.1-58.2173.9000113.5L91 E94 W95 K98L91-L100 HydrophobicContact CD1-CD1 4.16Å; E94-L100 HydrophobicContact CG-CG 4.17Å; W95-L100 HydrophobicContact CE3-CD1 4.08Å; K98-L100 PolarHBondContact O-N 3.32Å
101D85.7Confident85.5Confident61 Ų61110.6 Ų110.633%0.32653%0.528SS..  trans-86.4119.9177.7-83.7-13.8000111.6K43 K98 T103K43-D101 PolarHBondContact NZ-O 3.05Å; K98-D101 HydrophobicContact CB-CB 4.03Å; K98-D101 WeakPolarHBondContact CB-OD2 3.4Å; K98-D101 WeakPolarHBondContact CD-OD2 3.24Å; K98-D101 WeakPolarHBondContact CG-OD2 3.48Å; K98-D101 PolarHBondContact O-N 3.39Å; K98-D101 VanDerWaalsContact O-N 3.16Å; D101-T103 PolarHBondContact O-N 3.48Å
102W76.7Confident84.8Confident188 Ų188113.5 Ų113.571%0.71254%0.539SS*.  trans-104.158178.7-62.750.4000108.6F44F44-W102 HydrophobicContact CD1-CH2 4.41Å; F44-W102 AromaticContact CE1-CH2 3.79Å; F44-W102 HydrophobicContact CE1-CH2 3.79Å; F44-W102 AromaticContact CE1-CZ3 3.97Å; F44-W102 HydrophobicContact CE1-CZ3 3.97Å
103T65.4Low83.9Confident100 Ų100119.2 Ų119.261%0.61355%0.553SS**  trans-109.312416159.40000106.5K43 D101K43-T103 PolarHBondContact NZ-O 3.01Å; D101-T103 PolarHBondContact O-N 3.48Å
104E56.3Low82.9Confident265 Ų265116.2 Ų116.2100%1.23855%0.549SS*.  trans-58.20160.6-63-155.9166.100110.4

Retrieved 104 of 104 residues in 157.3 ms (Link to these results)

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