A0A087XE20_POEFO Loading...

NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 7

Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed not to be involved in catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone.

AlphaFold DB , UniProt , Accession A0A087XE20, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 124 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
1M55.1Low84.1Confident203 Ų20392.7 Ų92.7100%149%0.494SS*.  0111.30-69.9-157-78.100108.2
2G80.7Confident83.7Confident36 Ų3691 Ų9137%0.37148%0.481SS..  trans-179.7-8.7-173.700000114.9H4 L5G2-H4 PolarHBondContact O-N 3.44Å; G2-H4 VanDerWaalsContact O-N 3.16Å; G2-L5 WeakPolarHBondContact O-CB 3.46Å; G2-L5 PolarHBondContact O-N 3.31Å
3A86.4Confident83.5Confident60 Ų6098.1 Ų98.150%0.49650%0.497SS..Hα-helixtrans-60.5-23.117700000113.8L5 A6 R7A3-L5 VanDerWaalsContact C-N 3.29Å; A3-L5 PolarHBondContact O-N 2.92Å; A3-A6 PolarHBondContact O-N 3.17Å; A3-R7 WeakPolarHBondContact O-CG 3.49Å; A3-R7 PolarHBondContact O-N 3.38Å
4H86.6Confident83.4Confident75 Ų75100.1 Ų100.135%0.34751%0.51SS..Hα-helixtrans-61.3-37.6172.965-85000111.1G2 A6 R7 Q8G2-H4 PolarHBondContact O-N 3.44Å; G2-H4 VanDerWaalsContact O-N 3.16Å; H4-A6 PolarHBondContact O-N 3.16Å; H4-R7 WeakPolarHBondContact O-CB 3.14Å; H4-R7 PolarHBondContact O-N 3.02Å; H4-R7 VanDerWaalsContact O-N 3.07Å; H4-Q8 WeakPolarHBondContact O-CB 3.34Å; H4-Q8 PolarHBondContact O-N 3.38Å
5L87.8Confident83.4Confident81 Ų8193.9 Ų93.942%0.42448%0.479SS..Hα-helixtrans-63.4-42.5178.3-60.6173000112.2G2 A3 R7 Q8 Y9G2-L5 WeakPolarHBondContact O-CB 3.46Å; G2-L5 PolarHBondContact O-N 3.31Å; A3-L5 VanDerWaalsContact C-N 3.29Å; A3-L5 PolarHBondContact O-N 2.92Å; L5-R7 PolarHBondContact O-N 3.38Å; L5-Q8 PolarHBondContact O-N 3.46Å; L5-Y9 HydrophobicContact CB-CD2 4.35Å; L5-Y9 HydrophobicContact CB-CE2 4.47Å; L5-Y9 HydrophobicContact CD2-CE2 4.12Å; L5-Y9 WeakPolarHBondContact O-CB 3.45Å; L5-Y9 WeakPolarHBondContact O-CD2 3.2Å; L5-Y9 PolarHBondContact O-N 3.37Å
6A90.1Very high83.5Confident47 Ų4788.3 Ų88.339%0.38845%0.45SS..Hα-helixtrans-61.2-37.817500000111.3A3 H4 I10 T11A3-A6 PolarHBondContact O-N 3.17Å; H4-A6 PolarHBondContact O-N 3.16Å; A6-I10 HydrophobicContact CB-CD1 4.38Å; A6-I10 WeakPolarHBondContact O-CA 3.49Å; A6-I10 WeakPolarHBondContact O-CB 3.17Å; A6-I10 WeakPolarHBondContact O-CG1 3.4Å; A6-I10 PolarHBondContact O-N 3.14Å; A6-T11 PolarHBondContact O-N 3.2Å
7R87.9Confident83.8Confident103 Ų10383.4 Ų83.439%0.38943%0.425SS..Iπ-helixtrans-70.1-45.4177.1-67.5173.2-167.1168.62112.1A3 H4 L5 Y9 T11 E12 E16A3-R7 WeakPolarHBondContact O-CG 3.49Å; A3-R7 PolarHBondContact O-N 3.38Å; H4-R7 WeakPolarHBondContact O-CB 3.14Å; H4-R7 PolarHBondContact O-N 3.02Å; H4-R7 VanDerWaalsContact O-N 3.07Å; L5-R7 PolarHBondContact O-N 3.38Å; R7-Y9 VanDerWaalsContact C-N 3.32Å; R7-Y9 PolarHBondContact O-N 2.8Å; R7-T11 WeakPolarHBondContact CA-OG1 3.05Å; R7-T11 PolarHBondContact O-N 3.23Å; R7-E12 CarbonylContact O-C 3.54Å; R7-E12 PolarHBondContact O-N 3.07Å; R7-E16 HydrophobicContact CB-CG 4.33Å; R7-E16 WeakPolarHBondContact CB-OE1 3.41Å; R7-E16 WeakPolarHBondContact CB-OE2 3.36Å; R7-E16 VanDerWaalsContact CD-OE1 3.25Å; R7-E16 WeakPolarHBondContact CD-OE1 3.42Å
8Q88.1Confident83.8Confident22 Ų2281.8 Ų81.810%0.10342%0.418CS..Iπ-helixtrans-63-39-178.5-163.6179.24.900111.9H4 L5 R13 E16 D18H4-Q8 WeakPolarHBondContact O-CB 3.34Å; H4-Q8 PolarHBondContact O-N 3.38Å; L5-Q8 PolarHBondContact O-N 3.46Å; Q8-R13 WeakPolarHBondContact O-CG 3.14Å; Q8-E16 WeakPolarHBondContact CA-OE2 3.48Å; Q8-E16 HydrophobicContact CB-CB 4.46Å; Q8-E16 WeakPolarHBondContact CB-OE2 3.16Å; Q8-E16 HydrophobicContact CG-CB 4.37Å; Q8-E16 PolarHBondContact N-OE2 3Å; Q8-D18 PolarHBondContact NE2-OD1 3.4Å
9Y87.9Confident83.9Confident162 Ų16283.2 Ų83.264%0.63543%0.433SS*.Iπ-helixtrans-95.2-31.4-175.3-66.6-61.9000114.2L5 R7L5-Y9 HydrophobicContact CB-CD2 4.35Å; L5-Y9 HydrophobicContact CB-CE2 4.47Å; L5-Y9 HydrophobicContact CD2-CE2 4.12Å; L5-Y9 WeakPolarHBondContact O-CB 3.45Å; L5-Y9 WeakPolarHBondContact O-CD2 3.2Å; L5-Y9 PolarHBondContact O-N 3.37Å; R7-Y9 VanDerWaalsContact C-N 3.32Å; R7-Y9 PolarHBondContact O-N 2.8Å
10I88.7Confident84.1Confident132 Ų13285.6 Ų85.668%0.67745%0.452SS*.Iπ-helixtrans-109.7-54.8-169.1-49.4172.5000111.8A6A6-I10 HydrophobicContact CB-CD1 4.38Å; A6-I10 WeakPolarHBondContact O-CA 3.49Å; A6-I10 WeakPolarHBondContact O-CB 3.17Å; A6-I10 WeakPolarHBondContact O-CG1 3.4Å; A6-I10 PolarHBondContact O-N 3.14Å
11T86Confident84.2Confident99 Ų9987.7 Ų87.761%0.60746%0.457SS*.Iπ-helixtrans-99.9-47.8-164.861.70000114.7A6 R7A6-T11 PolarHBondContact O-N 3.2Å; R7-T11 WeakPolarHBondContact CA-OG1 3.05Å; R7-T11 PolarHBondContact O-N 3.23Å
12E79.1Confident85.5Confident72 Ų7286.8 Ų86.834%0.33645%0.448SS..  trans-132.958-164.8-54.2-179.8157.500112.7R7 D14 T15 R106R7-E12 CarbonylContact O-C 3.54Å; R7-E12 PolarHBondContact O-N 3.07Å; E12-D14 VanDerWaalsContact C-N 3.33Å; E12-D14 PolarHBondContact O-N 2.8Å; E12-T15 WeakPolarHBondContact CB-OG1 3.18Å; E12-T15 PolarHBondContact O-N 2.82Å; E12-T15 PolarHBondContact O-OG1 2.94Å; E12-T15 VanDerWaalsContact O-OG1 3.14Å; E12-R106 IonicContact OE2-NH2 2.71Å; E12-R106 PolarHBondContact OE2-NH2 3.01Å
13R81.5Confident85.6Confident183 Ų18391.6 Ų91.669%0.69146%0.458SS*.THydrogen-bonded Turntrans-55.2-40.3-173.1-62.4-177.366.1172.2-2.1114.2Q8Q8-R13 WeakPolarHBondContact O-CG 3.14Å
14D81.3Confident85.6Confident126 Ų12694.7 Ų94.767%0.67446%0.463SS*.THydrogen-bonded Turntrans-92.70.2-175.4-0.4-76.4000114.3E12 K113E12-D14 VanDerWaalsContact C-N 3.33Å; E12-D14 PolarHBondContact O-N 2.8Å; D14-K113 VanDerWaalsContact C-NZ 3.25Å; D14-K113 WeakPolarHBondContact O-CE 3.39Å; D14-K113 IonicContact OD2-NZ 2.94Å; D14-K113 PolarHBondContact OD2-NZ 3.34Å
15T84.1Confident85.6Confident7 Ų792.9 Ų92.94%0.04345%0.454CS..THydrogen-bonded Turntrans-101.1-12.5174.460.20000114.3E12 Q109 L110 K113E12-T15 WeakPolarHBondContact CB-OG1 3.18Å; E12-T15 PolarHBondContact O-N 2.82Å; E12-T15 PolarHBondContact O-OG1 2.94Å; E12-T15 VanDerWaalsContact O-OG1 3.14Å; T15-Q109 PolarHBondContact O-OE1 3.07Å; T15-L110 HydrophobicContact CG2-CD2 3.53Å; T15-L110 HydrophobicContact CG2-CG 4.34Å; T15-K113 HydrophobicContact CG2-CD 3.39Å; T15-K113 HydrophobicContact CG2-CG 4.17Å; T15-K113 VanDerWaalsContact CG2-NZ 3.34Å
16E85.5Confident85.7Confident5 Ų593 Ų932%0.02346%0.455CS..SBendtrans-98.1133.2-175.6-65.5-148.9144.400111R7 Q8 D18 R106 Q109R7-E16 HydrophobicContact CB-CG 4.33Å; R7-E16 WeakPolarHBondContact CB-OE1 3.41Å; R7-E16 WeakPolarHBondContact CB-OE2 3.36Å; R7-E16 VanDerWaalsContact CD-OE1 3.25Å; R7-E16 WeakPolarHBondContact CD-OE1 3.42Å; Q8-E16 WeakPolarHBondContact CA-OE2 3.48Å; Q8-E16 HydrophobicContact CB-CB 4.46Å; Q8-E16 WeakPolarHBondContact CB-OE2 3.16Å; Q8-E16 HydrophobicContact CG-CB 4.37Å; Q8-E16 PolarHBondContact N-OE2 3Å; E16-D18 PolarHBondContact O-N 2.72Å; E16-R106 IonicContact OE1-CZ 3.93Å; E16-R106 IonicContact OE1-NE 2.72Å; E16-R106 PolarHBondContact OE1-NE 3.5Å; E16-R106 IonicContact OE1-NH2 3.78Å; E16-Q109 VanDerWaalsContact C-OE1 3.22Å
17P87.6Confident85.7Confident4 Ų493.1 Ų93.13%0.02645%0.452CS..PPolyproline II helixtrans-73.7131.4-178.627.5-31.6000110.3Y102 E105 R106P17-Y102 HydrophobicContact CG-CD2 3.83Å; P17-Y102 HydrophobicContact CG-CE2 3.58Å; P17-E105 HydrophobicContact CB-CB 3.96Å; P17-E105 HydrophobicContact CG-CB 4.09Å; P17-R106 HydrophobicContact CG-CB 4.22Å
18D84.9Confident85.7Confident56 Ų5695.5 Ų95.530%0.29947%0.465SS..PPolyproline II helixtrans-75.1124.3175.7-77.1-39.3000110.5Q8 E16 T20 K21Q8-D18 PolarHBondContact NE2-OD1 3.4Å; E16-D18 PolarHBondContact O-N 2.72Å; D18-T20 PolarHBondContact O-N 3.13Å; D18-T20 VanDerWaalsContact O-N 3.16Å; D18-K21 HydrophobicContact CB-CB 4.16Å; D18-K21 HydrophobicContact CB-CD 3.95Å; D18-K21 HydrophobicContact CB-CG 3.99Å; D18-K21 PolarHBondContact O-N 3.21Å; D18-K21 VanDerWaalsContact OD2-CE 3.27Å; D18-K21 WeakPolarHBondContact OD2-CE 3.41Å; D18-K21 IonicContact OD2-NZ 3.19Å; D18-K21 PolarHBondContact OD2-NZ 2.98Å
19P85.3Confident85.8Confident107 Ų10798.1 Ų98.170%0.69548%0.479SS*.THydrogen-bonded Turntrans-69.2-16.7-175.227.3-35000114.1
20T87.4Confident85.7Confident132 Ų13294.2 Ų94.281%0.8149%0.487SS*.THydrogen-bonded Turntrans-88.5-22.6178.6530000112.8D18D18-T20 PolarHBondContact O-N 3.13Å; D18-T20 VanDerWaalsContact O-N 3.16Å
21K85.9Confident85.7Confident129 Ų12992.9 Ų92.956%0.56148%0.477SS*.SBendtrans-84.6154179.3-68-179.1-174.4155.30109.6D18D18-K21 HydrophobicContact CB-CB 4.16Å; D18-K21 HydrophobicContact CB-CD 3.95Å; D18-K21 HydrophobicContact CB-CG 3.99Å; D18-K21 PolarHBondContact O-N 3.21Å; D18-K21 VanDerWaalsContact OD2-CE 3.27Å; D18-K21 WeakPolarHBondContact OD2-CE 3.41Å; D18-K21 IonicContact OD2-NZ 3.19Å; D18-K21 PolarHBondContact OD2-NZ 2.98Å
22K82.4Confident85.7Confident185 Ų18598.1 Ų98.180%0.80450%0.495SS*.PPolyproline II helixtrans-73159.5172.5-65.8-177.1-179.7179.80109.9E24K22-E24 PolarHBondContact O-N 3.42Å
23F83.6Confident86Confident136 Ų136102.8 Ų102.860%0.59652%0.516SS*.PPolyproline II helixtrans-52.8125.817443.9-93.6000111.7E105F23-E105 WeakPolarHBondContact CA-OE1 3.27Å; F23-E105 WeakPolarHBondContact CB-OE1 3.47Å
24E85.1Confident86.3Confident126 Ų12699 Ų9959%0.58950%0.502SS*.  trans-82.1-28.1179.9-66.8-177.8157.600112.5K22 Q109K22-E24 PolarHBondContact O-N 3.42Å; E24-Q109 PolarHBondContact OE2-NE2 3.42Å; E24-Q109 VanDerWaalsContact OE2-NE2 3.11Å
25F88.3Confident86.7Confident36 Ų36101.8 Ų101.816%0.15851%0.508CS..SBendtrans-100.9139.5-175-58.9-83.1000111.6I29 L108 Q109F25-I29 HydrophobicContact CB-CD1 4.3Å; F25-L108 HydrophobicContact CB-CD1 3.73Å; F25-L108 HydrophobicContact CD1-CB 4.13Å; F25-L108 HydrophobicContact CD1-CD1 4.22Å; F25-L108 HydrophobicContact CD2-CB 3.78Å; F25-L108 HydrophobicContact CD2-CD1 3.92Å; F25-L108 HydrophobicContact CE1-CB 4.01Å; F25-L108 HydrophobicContact CE2-CB 3.67Å; F25-L108 HydrophobicContact CG-CB 4.02Å; F25-L108 HydrophobicContact CG-CD1 3.68Å; F25-L108 HydrophobicContact CG-CG 4.46Å; F25-L108 HydrophobicContact CZ-CB 3.78Å; F25-Q109 HydrophobicContact CE2-CG 3.59Å; F25-Q109 HydrophobicContact CZ-CG 3.9Å
26D89.6Confident86.9Confident85 Ų85110 Ų11046%0.45555%0.546SS..  trans-55.9129.8174.2176.3-0.1000110.7K28 I29 R104D26-K28 PolarHBondContact O-N 2.94Å; D26-K28 PolarHBondContact OD1-N 2.71Å; D26-I29 HydrophobicContact CB-CD1 3.87Å; D26-I29 HydrophobicContact CB-CG1 3.99Å; D26-I29 PolarHBondContact O-N 3.21Å; D26-I29 VanDerWaalsContact O-N 3.09Å; D26-R104 PolarHBondContact O-NH2 2.93Å
27P89.4Confident87.1Confident49 Ų49113.6 Ų113.632%0.31856%0.56SS.*THydrogen-bonded Turntrans-46.2-27171.3-33.737.8000116.4R34P27-R34 PolarHBondContact O-NH1 3.01Å; P27-R34 VanDerWaalsContact O-NH1 3.16Å
28K88.6Confident87.2Confident153 Ų153121.6 Ų121.667%0.66560%0.596SS**THydrogen-bonded Turntrans-85.1-15.1-178.4-63.3-177.2-179.4-177.50114.2D26 G30 F31D26-K28 PolarHBondContact O-N 2.94Å; D26-K28 PolarHBondContact OD1-N 2.71Å; K28-G30 PolarHBondContact O-N 3.39Å; K28-G30 VanDerWaalsContact O-N 3.1Å; K28-F31 PolarHBondContact O-N 2.92Å; K28-F31 VanDerWaalsContact O-N 3.08Å; K28-F31 VanDerWaalsContact O-O 3.11Å
29I89.2Confident87.5Confident77 Ų77123 Ų12340%0.39560%0.602SS.*THydrogen-bonded Turntrans-62.7118.1179.9-65.9167.6000109.9F25 D26 R104 L108F25-I29 HydrophobicContact CB-CD1 4.3Å; D26-I29 HydrophobicContact CB-CD1 3.87Å; D26-I29 HydrophobicContact CB-CG1 3.99Å; D26-I29 PolarHBondContact O-N 3.21Å; D26-I29 VanDerWaalsContact O-N 3.09Å; I29-R104 PolarHBondContact O-NH2 3.34Å; I29-L108 HydrophobicContact CG2-CD2 4.37Å
30G85.4Confident87.9Confident79 Ų79123.3 Ų123.381%0.81460%0.597SS**THydrogen-bonded Turntrans88.34.6179.500000115.3K28K28-G30 PolarHBondContact O-N 3.39Å; K28-G30 VanDerWaalsContact O-N 3.1Å
31F88.9Confident88.1Confident105 Ų105117.3 Ų117.346%0.46156%0.561SS.*  trans-124.8126.8174.7-61.9-74.8000109.8K28 R34K28-F31 PolarHBondContact O-N 2.92Å; K28-F31 VanDerWaalsContact O-N 3.08Å; K28-F31 VanDerWaalsContact O-O 3.11Å; F31-R34 HydrophobicContact CB-CB 4.29Å
32E86.3Confident88.5Confident208 Ų208114.4 Ų114.497%0.97255%0.554SS**SBendtrans-70-43.2174.2-66.7174.9-176.800110.6
33E86.3Confident88.9Confident170 Ų170112.4 Ų112.479%0.79455%0.548SS*.SBendtrans-142.2118.9174.5-163178.5-178.900110
34R87.3Confident89.4Confident105 Ų105113.2 Ų113.240%0.39655%0.553SS.*  trans-108.6113.7178.6-178.2175.1179.3170.9-2109.3P27 F31 E101P27-R34 PolarHBondContact O-NH1 3.01Å; P27-R34 VanDerWaalsContact O-NH1 3.16Å; F31-R34 HydrophobicContact CB-CB 4.29Å; R34-E101 IonicContact NH2-OE1 3.67Å
35K89.1Confident89.7Confident183 Ų183112 Ų11280%0.79655%0.547SS*.PPolyproline II helixtrans-71.3139174.8-63.3-177179.7-176.50110.8
36E89.1Confident89.9Confident180 Ų180111 Ų11184%0.84154%0.543SS*.PPolyproline II helixtrans-74.9156.9174-64.1-174.9169.400110.7
37R89.9Confident90.1Very high81 Ų81110.6 Ų110.631%0.30654%0.542SS..PPolyproline II helixtrans-78.2128.3176.3-62.4-172.6-167.5-167.510.5108.9Y58 D94 E101R37-Y58 HydrophobicContact CB-CD1 3.71Å; R37-Y58 HydrophobicContact CB-CE1 3.42Å; R37-Y58 VanDerWaalsContact CB-CE1 3.42Å; R37-Y58 HydrophobicContact CB-CG 4.44Å; R37-D94 IonicContact NH1-OD1 3.04Å; R37-D94 PolarHBondContact NH1-OD1 3.12Å; R37-E101 IonicContact NH2-OE1 3.02Å; R37-E101 PolarHBondContact NH2-OE1 3.3Å
38E90.4Very high90.3Very high171 Ų171115.2 Ų115.280%0.79956%0.563SS**PPolyproline II helixtrans-84126179.9-64.8176.1-175.400110.6
39M91Very high90.5Very high86 Ų86109.5 Ų109.542%0.42454%0.544SS..  trans-86.3113.1171-74.1-65.4-63.200109.5M46 Y58M39-M46 HydrophobicContact CE-CE 4.31Å; M39-Y58 HydrophobicContact CG-CD1 3.76Å; M39-Y58 HydrophobicContact CG-CE1 3.63Å; M39-Y58 VanDerWaalsContact SD-CA 3.53Å; M39-Y58 HydrophobicContact SD-CD1 3.04Å; M39-Y58 WeakPolarHBondContact SD-CD1 3.49Å; M39-Y58 HydrophobicContact SD-CD2 4.31Å; M39-Y58 HydrophobicContact SD-CE1 3.38Å; M39-Y58 WeakPolarHBondContact SD-CE1 3.3Å; M39-Y58 HydrophobicContact SD-CG 3.55Å; M39-Y58 VanDerWaalsContact SD-CG 3.55Å
40I93.1Very high90.6Very high113 Ų113113.7 Ų113.758%0.57956%0.562SS**  trans-81-38.2-179.7-60.2159000111.6H61I40-H61 HydrophobicContact CB-CB 4.35Å; I40-H61 HydrophobicContact CG2-CB 4.31Å
41A91.3Very high90.9Very high7 Ų7110.1 Ų110.16%0.05852%0.524CS..SBendtrans-81131.5179.500000110.9M46 A60 H61 I64A41-M46 HydrophobicContact CB-CG 4.16Å; A41-M46 HydrophobicContact CB-SD 4.45Å; A41-A60 HydrophobicContact CB-CB 4.49Å; A41-H61 HydrophobicContact CB-CB 4.13Å; A41-I64 HydrophobicContact CB-CD1 4.38Å
42T94.4Very high91.1Very high68 Ų68108.2 Ų108.242%0.41752%0.522SS..  trans-76153.5174.1710000110.9E44 Q45 M46T42-E44 VanDerWaalsContact C-N 3.27Å; T42-E44 PolarHBondContact O-N 3.19Å; T42-Q45 PolarHBondContact O-N 3.5Å; T42-Q45 VanDerWaalsContact OG1-CD 3.27Å; T42-Q45 WeakPolarHBondContact OG1-CG 3.26Å; T42-Q45 PolarHBondContact OG1-N 2.97Å; T42-M46 PolarHBondContact O-N 3.11Å; T42-M46 VanDerWaalsContact O-N 3.16Å
43Q91.6Very high91.3Very high143 Ų143105.1 Ų105.167%0.66851%0.511SS*.Hα-helixtrans-62.2-36.4179.8-167.8173.31000112.4M46 N47Q43-M46 PolarHBondContact O-N 3.02Å; Q43-N47 VanDerWaalsContact O-CG 3.3Å; Q43-N47 PolarHBondContact O-N 3.36Å; Q43-N47 PolarHBondContact O-ND2 2.85Å
44E93.3Very high91.5Very high152 Ų152100.1 Ų100.171%0.7151%0.505SS*.Hα-helixtrans-62.6-44175.1-63.8179176.600111.6T42 M46 N47 L48T42-E44 VanDerWaalsContact C-N 3.27Å; T42-E44 PolarHBondContact O-N 3.19Å; E44-M46 VanDerWaalsContact C-N 3.34Å; E44-M46 PolarHBondContact O-N 3.17Å; E44-N47 PolarHBondContact O-N 3.47Å; E44-L48 VanDerWaalsContact O-CG 3.3Å; E44-L48 WeakPolarHBondContact O-CG 3.4Å; E44-L48 PolarHBondContact O-N 2.97Å
45Q92.2Very high91.7Very high100 Ų10098.6 Ų98.647%0.46750%0.503SS..Hα-helixtrans-61.3-41.6177.3-73.9168.2-1.900112T42 N47 L48 A49 I64T42-Q45 PolarHBondContact O-N 3.5Å; T42-Q45 VanDerWaalsContact OG1-CD 3.27Å; T42-Q45 WeakPolarHBondContact OG1-CG 3.26Å; T42-Q45 PolarHBondContact OG1-N 2.97Å; Q45-N47 VanDerWaalsContact C-N 3.34Å; Q45-L48 PolarHBondContact O-N 3.47Å; Q45-A49 WeakPolarHBondContact O-CB 3.25Å; Q45-A49 PolarHBondContact O-N 3.03Å; Q45-I64 HydrophobicContact CB-CD1 4.41Å
46M92.8Very high92Very high15 Ų1593.6 Ų93.67%0.07448%0.479CS..Hα-helixtrans-67-35.3176.9-66.6-170-74.700112.7M39 A41 T42 Q43 E44 Q50 L51 R56 A60 I64M39-M46 HydrophobicContact CE-CE 4.31Å; A41-M46 HydrophobicContact CB-CG 4.16Å; A41-M46 HydrophobicContact CB-SD 4.45Å; T42-M46 PolarHBondContact O-N 3.11Å; T42-M46 VanDerWaalsContact O-N 3.16Å; Q43-M46 PolarHBondContact O-N 3.02Å; E44-M46 VanDerWaalsContact C-N 3.34Å; E44-M46 PolarHBondContact O-N 3.17Å; M46-Q50 PolarHBondContact O-N 3.34Å; M46-L51 HydrophobicContact CB-CD1 4.2Å; M46-L51 HydrophobicContact CG-CD1 4.06Å; M46-L51 PolarHBondContact O-N 2.95Å; M46-R56 HydrophobicContact SD-CB 4.07Å; M46-R56 HydrophobicContact SD-CG 4.24Å; M46-A60 HydrophobicContact CG-CB 4.33Å; M46-A60 HydrophobicContact SD-CB 3.75Å; M46-I64 HydrophobicContact CG-CD1 4.38Å
47N93.4Very high92.1Very high78 Ų7888.8 Ų88.842%0.41746%0.459SS..Hα-helixtrans-69.7-43.3176-74.4-23.2000111.6Q43 E44 Q45 A49 Q50 R56Q43-N47 VanDerWaalsContact O-CG 3.3Å; Q43-N47 PolarHBondContact O-N 3.36Å; Q43-N47 PolarHBondContact O-ND2 2.85Å; E44-N47 PolarHBondContact O-N 3.47Å; Q45-N47 VanDerWaalsContact C-N 3.34Å; N47-A49 VanDerWaalsContact C-N 3.31Å; N47-A49 PolarHBondContact O-N 3.08Å; N47-Q50 WeakPolarHBondContact O-CA 3.3Å; N47-Q50 PolarHBondContact O-N 3.28Å; N47-R56 PolarHBondContact OD1-NH1 3.11Å
48L93.8Very high92.4Very high146 Ų14689.8 Ų89.876%0.76446%0.464SS*.Hα-helixtrans-63.4-37.3176.2-70.5172.4000112.2E44 Q45 Q50E44-L48 VanDerWaalsContact O-CG 3.3Å; E44-L48 WeakPolarHBondContact O-CG 3.4Å; E44-L48 PolarHBondContact O-N 2.97Å; Q45-L48 PolarHBondContact O-N 3.47Å; L48-Q50 PolarHBondContact O-N 3.28Å
49A91.3Very high92.5Very high32 Ų3281.8 Ų81.826%0.26443%0.426SS..THydrogen-bonded Turntrans-74.9-3.517400000113.6Q45 N47 L51 I64Q45-A49 WeakPolarHBondContact O-CB 3.25Å; Q45-A49 PolarHBondContact O-N 3.03Å; N47-A49 VanDerWaalsContact C-N 3.31Å; N47-A49 PolarHBondContact O-N 3.08Å; A49-L51 HydrophobicContact CB-CD2 4.43Å; A49-L51 HydrophobicContact CB-CG 4.1Å; A49-L51 PolarHBondContact O-N 3.15Å; A49-I64 HydrophobicContact CB-CG1 4.14Å
50Q91.9Very high92.7Very high166 Ų16677.7 Ų77.778%0.77641%0.407SS*.THydrogen-bonded Turntrans50.742.3-179.6-61.7-178-15.800113.2M46 N47 L48M46-Q50 PolarHBondContact O-N 3.34Å; N47-Q50 WeakPolarHBondContact O-CA 3.3Å; N47-Q50 PolarHBondContact O-N 3.28Å; L48-Q50 PolarHBondContact O-N 3.28Å
51L92.1Very high92.8Very high3 Ų373.9 Ų73.92%0.01639%0.386CS..  trans-67.4139.1179.4-65.1-179.7000111.2M46 A49 R56 A60 L63 I64 M67M46-L51 HydrophobicContact CB-CD1 4.2Å; M46-L51 HydrophobicContact CG-CD1 4.06Å; M46-L51 PolarHBondContact O-N 2.95Å; A49-L51 HydrophobicContact CB-CD2 4.43Å; A49-L51 HydrophobicContact CB-CG 4.1Å; A49-L51 PolarHBondContact O-N 3.15Å; L51-R56 HydrophobicContact CB-CG 4.12Å; L51-R56 PolarHBondContact O-NE 3.2Å; L51-R56 PolarHBondContact O-NH2 3.27Å; L51-A60 HydrophobicContact CD1-CB 4.09Å; L51-L63 HydrophobicContact CD1-CD2 4.34Å; L51-L63 HydrophobicContact CD2-CD2 3.58Å; L51-L63 HydrophobicContact CD2-CG 4.1Å; L51-I64 HydrophobicContact CD1-CD1 4.38Å; L51-I64 HydrophobicContact CD1-CG1 4.07Å; L51-M67 HydrophobicContact CD2-CE 4.48Å; L51-M67 HydrophobicContact CD2-SD 3.66Å
52P93Very high93Very high66 Ų6675.3 Ų75.343%0.42939%0.392SS..  trans-66.2149.8172.530.1-34.1000110G54 Q55P52-G54 PolarHBondContact O-N 3.46Å; P52-G54 VanDerWaalsContact O-N 3.14Å; P52-Q55 HydrophobicContact CG-CB 3.94Å; P52-Q55 VanDerWaalsContact CG-CD 3.45Å; P52-Q55 HydrophobicContact CG-CG 3.81Å; P52-Q55 PolarHBondContact O-N 3.23Å
53L91.2Very high93Very high142 Ų14272.6 Ų72.674%0.74337%0.374SS*.G310 helixtrans-55.9-36.2-173.3-68.4170.8000113.5Q55 R56L53-Q55 PolarHBondContact O-N 3.16Å; L53-R56 PolarHBondContact O-N 3.26Å
54G90.6Very high93.1Very high65 Ų6567.9 Ų67.967%0.6735%0.353SS*.G310 helixtrans-73.9-7.1179.100000115.3P52P52-G54 PolarHBondContact O-N 3.46Å; P52-G54 VanDerWaalsContact O-N 3.14Å
55Q91.4Very high93.2Very high74 Ų7466.5 Ų66.535%0.34635%0.345SS..G310 helixtrans-109.98.7176.3-66.8175.1-5.300111.9P52 L53 D57 L63P52-Q55 HydrophobicContact CG-CB 3.94Å; P52-Q55 VanDerWaalsContact CG-CD 3.45Å; P52-Q55 HydrophobicContact CG-CG 3.81Å; P52-Q55 PolarHBondContact O-N 3.23Å; L53-Q55 PolarHBondContact O-N 3.16Å; Q55-D57 PolarHBondContact O-N 3.28Å; Q55-D57 VanDerWaalsContact O-N 3.17Å; Q55-L63 HydrophobicContact CB-CD2 3.74Å; Q55-L63 HydrophobicContact CG-CD2 4.3Å
56R93.5Very high93.3Very high78 Ų7862 Ų6229%0.29432%0.324SS..  trans-89.951.4178.8-64.4-178.7-173.2-155.8-5.1111M46 N47 L51 L53M46-R56 HydrophobicContact SD-CB 4.07Å; M46-R56 HydrophobicContact SD-CG 4.24Å; N47-R56 PolarHBondContact OD1-NH1 3.11Å; L51-R56 HydrophobicContact CB-CG 4.12Å; L51-R56 PolarHBondContact O-NE 3.2Å; L51-R56 PolarHBondContact O-NH2 3.27Å; L53-R56 PolarHBondContact O-N 3.26Å
57D93.2Very high93.3Very high78 Ų7865.4 Ų65.442%0.41734%0.341SS..SBendtrans-94.9177.9-178.1-61.1-13.7000110.9Q55 C59 A60Q55-D57 PolarHBondContact O-N 3.28Å; Q55-D57 VanDerWaalsContact O-N 3.17Å; D57-C59 PolarHBondContact O-N 3.02Å; D57-A60 VanDerWaalsContact O-CB 3.25Å; D57-A60 WeakPolarHBondContact O-CB 3.46Å; D57-A60 PolarHBondContact O-N 3.17Å
58Y94.3Very high93.3Very high102 Ų10267.6 Ų67.640%0.435%0.347SS..THydrogen-bonded Turntrans-54.3-28174.3-66.8-87.8000112.5R37 M39 A60 H61R37-Y58 HydrophobicContact CB-CD1 3.71Å; R37-Y58 HydrophobicContact CB-CE1 3.42Å; R37-Y58 VanDerWaalsContact CB-CE1 3.42Å; R37-Y58 HydrophobicContact CB-CG 4.44Å; M39-Y58 HydrophobicContact CG-CD1 3.76Å; M39-Y58 HydrophobicContact CG-CE1 3.63Å; M39-Y58 VanDerWaalsContact SD-CA 3.53Å; M39-Y58 HydrophobicContact SD-CD1 3.04Å; M39-Y58 WeakPolarHBondContact SD-CD1 3.49Å; M39-Y58 HydrophobicContact SD-CD2 4.31Å; M39-Y58 HydrophobicContact SD-CE1 3.38Å; M39-Y58 WeakPolarHBondContact SD-CE1 3.3Å; M39-Y58 HydrophobicContact SD-CG 3.55Å; M39-Y58 VanDerWaalsContact SD-CG 3.55Å; Y58-A60 PolarHBondContact O-N 3.37Å; Y58-H61 PolarHBondContact O-CE1 3.08Å; Y58-H61 VanDerWaalsContact O-CE1 3.29Å; Y58-H61 PolarHBondContact O-ND1 2.89Å
59C94.3Very high93.3Very high3 Ų361.2 Ų61.22%0.0231%0.314CS..THydrogen-bonded Turntrans-81.1-3.1179-157.40000115.9D57 H61 H62 C90D57-C59 PolarHBondContact O-N 3.02Å; C59-H61 PolarHBondContact O-N 3.48Å; C59-H62 PolarHBondContact O-N 2.98Å; C59-C90 WeakPolarHBondContact CA-SG 3.44Å; C59-C90 HydrophobicContact CB-CB 4.32Å; C59-C90 WeakPolarHBondContact CB-SG 3.16Å; C59-C90 WeakPolarHBondContact SG-CB 3.5Å; C59-C90 CovalentContact SG-SG 2.03Å; C59-C90 PolarHBondContact SG-SG 2.94Å
60A95Very high93.3Very high1 Ų164.9 Ų64.91%0.00832%0.324CS..Hα-helixtrans-57.8-23.8-171.300000114.8A41 M46 L51 D57 Y58 H62 L63 I64A41-A60 HydrophobicContact CB-CB 4.49Å; M46-A60 HydrophobicContact CG-CB 4.33Å; M46-A60 HydrophobicContact SD-CB 3.75Å; L51-A60 HydrophobicContact CD1-CB 4.09Å; D57-A60 VanDerWaalsContact O-CB 3.25Å; D57-A60 WeakPolarHBondContact O-CB 3.46Å; D57-A60 PolarHBondContact O-N 3.17Å; Y58-A60 PolarHBondContact O-N 3.37Å; A60-H62 VanDerWaalsContact C-N 3.31Å; A60-H62 PolarHBondContact O-N 2.89Å; A60-L63 WeakPolarHBondContact O-CB 3.47Å; A60-L63 PolarHBondContact O-N 3.22Å; A60-I64 WeakPolarHBondContact O-CG1 3.46Å; A60-I64 PolarHBondContact O-N 2.97Å
61H94.3Very high93.3Very high32 Ų3266 Ų6615%0.14832%0.321CS..Hα-helixtrans-62.5-33.7177.559.8-79.7000113.2I40 A41 Y58 C59 K65I40-H61 HydrophobicContact CB-CB 4.35Å; I40-H61 HydrophobicContact CG2-CB 4.31Å; A41-H61 HydrophobicContact CB-CB 4.13Å; Y58-H61 PolarHBondContact O-CE1 3.08Å; Y58-H61 VanDerWaalsContact O-CE1 3.29Å; Y58-H61 PolarHBondContact O-ND1 2.89Å; C59-H61 PolarHBondContact O-N 3.48Å; H61-K65 WeakPolarHBondContact O-CG 3.26Å; H61-K65 PolarHBondContact O-N 2.86Å
62H95.4Very high93.4Very high38 Ų3870.3 Ų70.318%0.17634%0.344CS..Hα-helixtrans-73.2-38.3174.2-73.3-74.8000111.9C59 A60 I64 K65 L66 W87C59-H62 PolarHBondContact O-N 2.98Å; A60-H62 VanDerWaalsContact C-N 3.31Å; A60-H62 PolarHBondContact O-N 2.89Å; H62-I64 VanDerWaalsContact C-N 3.33Å; H62-I64 PolarHBondContact O-N 3.33Å; H62-K65 WeakPolarHBondContact O-CB 2.9Å; H62-K65 PolarHBondContact O-N 3.02Å; H62-K65 VanDerWaalsContact O-N 3.15Å; H62-L66 PolarHBondContact O-N 3.49Å; H62-W87 HydrophobicContact CB-CB 3.86Å; H62-W87 HydrophobicContact CB-CG 4.42Å
63L94.3Very high93.3Very high10 Ų1070.4 Ų70.45%0.05234%0.341CS..Hα-helixtrans-61.8-41.7177.6-175.165.3000111.9L51 Q55 A60 K65 L66 M67 W87L51-L63 HydrophobicContact CD1-CD2 4.34Å; L51-L63 HydrophobicContact CD2-CD2 3.58Å; L51-L63 HydrophobicContact CD2-CG 4.1Å; Q55-L63 HydrophobicContact CB-CD2 3.74Å; Q55-L63 HydrophobicContact CG-CD2 4.3Å; A60-L63 WeakPolarHBondContact O-CB 3.47Å; A60-L63 PolarHBondContact O-N 3.22Å; L63-K65 VanDerWaalsContact C-N 3.32Å; L63-K65 PolarHBondContact O-N 3.23Å; L63-L66 WeakPolarHBondContact O-CB 3.38Å; L63-L66 PolarHBondContact O-N 2.98Å; L63-M67 WeakPolarHBondContact O-CG 3.27Å; L63-M67 PolarHBondContact O-N 2.96Å; L63-W87 HydrophobicContact CD1-CD2 4.23Å; L63-W87 HydrophobicContact CD1-CZ2 4Å
64I94.8Very high93Very high44 Ų4472.2 Ų72.223%0.22634%0.338CS..Hα-helixtrans-60.3-42.6175.3-65.5168.2000110.8A41 Q45 M46 A49 L51 A60 H62 M67 K68A41-I64 HydrophobicContact CB-CD1 4.38Å; Q45-I64 HydrophobicContact CB-CD1 4.41Å; M46-I64 HydrophobicContact CG-CD1 4.38Å; A49-I64 HydrophobicContact CB-CG1 4.14Å; L51-I64 HydrophobicContact CD1-CD1 4.38Å; L51-I64 HydrophobicContact CD1-CG1 4.07Å; A60-I64 WeakPolarHBondContact O-CG1 3.46Å; A60-I64 PolarHBondContact O-N 2.97Å; H62-I64 VanDerWaalsContact C-N 3.33Å; H62-I64 PolarHBondContact O-N 3.33Å; I64-M67 PolarHBondContact O-N 2.94Å; I64-K68 WeakPolarHBondContact O-CB 3.43Å; I64-K68 PolarHBondContact O-N 3.26Å
65K94.1Very high93.1Very high123 Ų12373.2 Ų73.254%0.53533%0.333SS..Hα-helixtrans-62.7-43.4176.8-69.5174.5-177.4176.60111.7H61 H62 L63 K68 C69H61-K65 WeakPolarHBondContact O-CG 3.26Å; H61-K65 PolarHBondContact O-N 2.86Å; H62-K65 WeakPolarHBondContact O-CB 2.9Å; H62-K65 PolarHBondContact O-N 3.02Å; H62-K65 VanDerWaalsContact O-N 3.15Å; L63-K65 VanDerWaalsContact C-N 3.32Å; L63-K65 PolarHBondContact O-N 3.23Å; K65-K68 PolarHBondContact O-N 3.36Å; K65-C69 WeakPolarHBondContact O-CB 3.44Å; K65-C69 PolarHBondContact O-N 3.4Å
66L94.1Very high93Very high5 Ų575.4 Ų75.43%0.02635%0.347CS..Hα-helixtrans-62.5-44.4177.3175.7164.1000111.8H62 L63 K68 C69 K70 E83 R84 W87H62-L66 PolarHBondContact O-N 3.49Å; L63-L66 WeakPolarHBondContact O-CB 3.38Å; L63-L66 PolarHBondContact O-N 2.98Å; L66-K68 VanDerWaalsContact C-N 3.34Å; L66-K68 PolarHBondContact O-N 3.34Å; L66-C69 PolarHBondContact O-N 3.47Å; L66-K70 HydrophobicContact CD2-CD 3.77Å; L66-K70 VanDerWaalsContact CD2-CE 3.41Å; L66-K70 HydrophobicContact CD2-CG 4.34Å; L66-K70 WeakPolarHBondContact O-CG 3.36Å; L66-K70 PolarHBondContact O-N 3.48Å; L66-E83 HydrophobicContact CB-CB 4.26Å; L66-R84 HydrophobicContact CD1-CB 4.23Å; L66-R84 HydrophobicContact CD1-CG 3.42Å; L66-R84 VanDerWaalsContact CD1-CG 3.42Å; L66-R84 HydrophobicContact CG-CG 4.16Å; L66-W87 HydrophobicContact CD1-CB 4.42Å; L66-W87 HydrophobicContact CD1-CE3 4.14Å
67M92.6Very high92.4Very high87 Ų8778 Ų7843%0.42936%0.361SS..Hα-helixtrans-62.5-42.4176.3-72.3-174.612100111.6L51 L63 I64 K70 R71L51-M67 HydrophobicContact CD2-CE 4.48Å; L51-M67 HydrophobicContact CD2-SD 3.66Å; L63-M67 WeakPolarHBondContact O-CG 3.27Å; L63-M67 PolarHBondContact O-N 2.96Å; I64-M67 PolarHBondContact O-N 2.94Å; M67-K70 PolarHBondContact O-N 3.03Å; M67-R71 PolarHBondContact O-N 3.06Å; M67-R71 VanDerWaalsContact O-N 3.11Å
68K93.6Very high92.1Very high125 Ų12580.3 Ų80.354%0.54337%0.373SS..Hα-helixtrans-60.1-51175-178.5179.8177-1760111.4I64 K65 L66 K70 R71 D72I64-K68 WeakPolarHBondContact O-CB 3.43Å; I64-K68 PolarHBondContact O-N 3.26Å; K65-K68 PolarHBondContact O-N 3.36Å; L66-K68 VanDerWaalsContact C-N 3.34Å; L66-K68 PolarHBondContact O-N 3.34Å; K68-K70 VanDerWaalsContact C-N 3.31Å; K68-K70 PolarHBondContact O-N 3.29Å; K68-R71 WeakPolarHBondContact O-CB 3.14Å; K68-R71 PolarHBondContact O-N 3.13Å; K68-D72 WeakPolarHBondContact CG-OD2 3.49Å; K68-D72 VanDerWaalsContact O-CG 3.23Å; K68-D72 PolarHBondContact O-N 3.43Å
69C94Very high91.8Very high12 Ų1278 Ų788%0.08138%0.375CS..Hα-helixtrans-61.1-36.1179.4163.30000113K65 L66 N73 C80 E83K65-C69 WeakPolarHBondContact O-CB 3.44Å; K65-C69 PolarHBondContact O-N 3.4Å; L66-C69 PolarHBondContact O-N 3.47Å; C69-N73 WeakPolarHBondContact O-CB 3.39Å; C69-N73 PolarHBondContact O-N 3.29Å; C69-N73 VanDerWaalsContact O-N 3.15Å; C69-N73 PolarHBondContact O-ND2 2.91Å; C69-C80 HydrophobicContact CB-CB 4.33Å; C69-C80 WeakPolarHBondContact CB-SG 3.39Å; C69-C80 VanDerWaalsContact SG-CA 3.57Å; C69-C80 WeakPolarHBondContact SG-CB 3.43Å; C69-C80 CovalentContact SG-SG 2.04Å; C69-C80 PolarHBondContact SG-SG 3.26Å; C69-E83 HydrophobicContact CB-CG 4.25Å; C69-E83 PolarHBondContact SG-OE1 3.03Å; C69-E83 VanDerWaalsContact SG-OE1 3.38Å
70K92.4Very high91.8Very high109 Ų10978 Ų7847%0.47438%0.375SS..Hα-helixtrans-65-38.4172.5-77.3-177.9-179.6175.90113L66 M67 K68L66-K70 HydrophobicContact CD2-CD 3.77Å; L66-K70 VanDerWaalsContact CD2-CE 3.41Å; L66-K70 HydrophobicContact CD2-CG 4.34Å; L66-K70 WeakPolarHBondContact O-CG 3.36Å; L66-K70 PolarHBondContact O-N 3.48Å; M67-K70 PolarHBondContact O-N 3.03Å; K68-K70 VanDerWaalsContact C-N 3.31Å; K68-K70 PolarHBondContact O-N 3.29Å
71R91.9Very high91.7Very high188 Ų18883.9 Ų83.971%0.70940%0.4SS*.Hα-helixtrans-70-42.7178.5-174.1179.365.2-179.10.6111.7M67 K68M67-R71 PolarHBondContact O-N 3.06Å; M67-R71 VanDerWaalsContact O-N 3.11Å; K68-R71 WeakPolarHBondContact O-CB 3.14Å; K68-R71 PolarHBondContact O-N 3.13Å
72D93.5Very high91.7Very high94 Ų9489.3 Ų89.350%0.50343%0.425SS..Hα-helixtrans-74.4-30.5-174.3-61.1-12.2000112K68K68-D72 WeakPolarHBondContact CG-OD2 3.49Å; K68-D72 VanDerWaalsContact O-CG 3.23Å; K68-D72 PolarHBondContact O-N 3.43Å
73N90.4Very high91.6Very high69 Ų6990.3 Ų90.337%0.36943%0.43SS..THydrogen-bonded Turntrans-99.214.7-176-68.5-46.3000114.9C69 N76 A79C69-N73 WeakPolarHBondContact O-CB 3.39Å; C69-N73 PolarHBondContact O-N 3.29Å; C69-N73 VanDerWaalsContact O-N 3.15Å; C69-N73 PolarHBondContact O-ND2 2.91Å; N73-N76 WeakPolarHBondContact O-CA 3.29Å; N73-N76 WeakPolarHBondContact O-CB 3.44Å; N73-N76 PolarHBondContact O-N 2.92Å; N73-A79 HydrophobicContact CB-CB 4.3Å
74W86.4Confident91.7Very high179 Ų17993.6 Ų93.668%0.67844%0.442SS*.THydrogen-bonded Turntrans-64.4128.6175.8-170.9-92.5000110.6F77W74-F77 AromaticContact CE3-CE1 3.79Å; W74-F77 HydrophobicContact CE3-CE1 3.79Å; W74-F77 HydrophobicContact CE3-CZ 4.18Å; W74-F77 AromaticContact CH2-CE1 3.39Å; W74-F77 HydrophobicContact CH2-CE1 3.39Å; W74-F77 AromaticContact CH2-CZ 3.4Å; W74-F77 HydrophobicContact CH2-CZ 3.4Å; W74-F77 HydrophobicContact CZ2-CE1 4.28Å; W74-F77 AromaticContact CZ2-CZ 3.88Å; W74-F77 HydrophobicContact CZ2-CZ 3.88Å; W74-F77 HydrophobicContact CZ3-CD1 4.11Å; W74-F77 AromaticContact CZ3-CE1 3.12Å; W74-F77 HydrophobicContact CZ3-CE1 3.12Å; W74-F77 AromaticContact CZ3-CZ 3.6Å; W74-F77 HydrophobicContact CZ3-CZ 3.6Å
75P92Very high91.8Very high86 Ų8697.1 Ų97.156%0.55846%0.457SS*.THydrogen-bonded Turncis-97.88.116-4.626.4000116.3F77P75-F77 WeakPolarHBondContact O-CD2 3.43Å; P75-F77 WeakPolarHBondContact O-CE2 3.34Å; P75-F77 PolarHBondContact O-N 3.26Å
76N89.4Confident91.9Very high121 Ų12194.8 Ų94.865%0.64745%0.45SS*.  trans-81.285.7-176.1-74-25.4000112.3N73 L78 A79N73-N76 WeakPolarHBondContact O-CA 3.29Å; N73-N76 WeakPolarHBondContact O-CB 3.44Å; N73-N76 PolarHBondContact O-N 2.92Å; N76-L78 PolarHBondContact O-N 3.17Å; N76-L78 VanDerWaalsContact O-N 3.14Å; N76-A79 PolarHBondContact O-N 3.47Å
77F81.3Confident91.9Very high131 Ų13196.8 Ų96.858%0.57546%0.457SS*.THydrogen-bonded Turntrans-63-19.3-179.1-56.6-82.2000115.8W74 P75 R84W74-F77 AromaticContact CE3-CE1 3.79Å; W74-F77 HydrophobicContact CE3-CE1 3.79Å; W74-F77 HydrophobicContact CE3-CZ 4.18Å; W74-F77 AromaticContact CH2-CE1 3.39Å; W74-F77 HydrophobicContact CH2-CE1 3.39Å; W74-F77 AromaticContact CH2-CZ 3.4Å; W74-F77 HydrophobicContact CH2-CZ 3.4Å; W74-F77 HydrophobicContact CZ2-CE1 4.28Å; W74-F77 AromaticContact CZ2-CZ 3.88Å; W74-F77 HydrophobicContact CZ2-CZ 3.88Å; W74-F77 HydrophobicContact CZ3-CD1 4.11Å; W74-F77 AromaticContact CZ3-CE1 3.12Å; W74-F77 HydrophobicContact CZ3-CE1 3.12Å; W74-F77 AromaticContact CZ3-CZ 3.6Å; W74-F77 HydrophobicContact CZ3-CZ 3.6Å; P75-F77 WeakPolarHBondContact O-CD2 3.43Å; P75-F77 WeakPolarHBondContact O-CE2 3.34Å; P75-F77 PolarHBondContact O-N 3.26Å; F77-R84 PolarHBondContact O-NH2 2.83Å
78L86.6Confident92.1Very high128 Ų12896.4 Ų96.467%0.6746%0.457SS*.THydrogen-bonded Turntrans-93-10.2-174.1-67.6172.8000114.1N76 C80 K81N76-L78 PolarHBondContact O-N 3.17Å; N76-L78 VanDerWaalsContact O-N 3.14Å; L78-C80 VanDerWaalsContact C-N 3.31Å; L78-C80 PolarHBondContact O-N 3.36Å; L78-K81 WeakPolarHBondContact O-CG 3.35Å
79A87.7Confident92.3Very high53 Ų5396.3 Ų96.344%0.43845%0.454SS..SBendtrans-67.7-33-176.500000112.5N73 N76 K81N73-A79 HydrophobicContact CB-CB 4.3Å; N76-A79 PolarHBondContact O-N 3.47Å; A79-K81 PolarHBondContact O-N 2.97Å; A79-K81 VanDerWaalsContact O-N 3.16Å
80C93.8Very high92.4Very high4 Ų496.4 Ų96.43%0.02746%0.455CS..  trans-92.148.7-169.4-152.80000114C69 L78 E83 R84C69-C80 HydrophobicContact CB-CB 4.33Å; C69-C80 WeakPolarHBondContact CB-SG 3.39Å; C69-C80 VanDerWaalsContact SG-CA 3.57Å; C69-C80 WeakPolarHBondContact SG-CB 3.43Å; C69-C80 CovalentContact SG-SG 2.04Å; C69-C80 PolarHBondContact SG-SG 3.26Å; L78-C80 VanDerWaalsContact C-N 3.31Å; L78-C80 PolarHBondContact O-N 3.36Å; C80-E83 VanDerWaalsContact C-OE2 3.31Å; C80-E83 VanDerWaalsContact CA-OE2 3.27Å; C80-E83 WeakPolarHBondContact CA-OE2 2.96Å; C80-E83 VanDerWaalsContact SG-CD 3.59Å; C80-E83 PolarHBondContact SG-OE2 3.09Å; C80-R84 PolarHBondContact O-NE 3.16Å; C80-R84 PolarHBondContact O-NH2 2.84Å
81K92.8Very high92.5Very high123 Ų12394.7 Ų94.754%0.53545%0.449SS..SBendtrans-86.7-33.9-177.7-74.9-179.4-174.8-176.80112.9L78 A79 R84 H85L78-K81 WeakPolarHBondContact O-CG 3.35Å; A79-K81 PolarHBondContact O-N 2.97Å; A79-K81 VanDerWaalsContact O-N 3.16Å; K81-R84 WeakPolarHBondContact O-CB 3.48Å; K81-R84 PolarHBondContact O-N 3.02Å; K81-H85 PolarHBondContact O-N 3.49Å
82H94.4Very high92.8Very high146 Ų14691 Ų9168%0.67644%0.439SS*.Hα-helixtrans-67.7-45.3-178.9-67.7-68.6000110.9R84 H85 D86H82-R84 PolarHBondContact O-N 2.96Å; H82-H85 PolarHBondContact O-N 3.09Å; H82-H85 VanDerWaalsContact O-N 3.15Å; H82-D86 VanDerWaalsContact O-CG 3.28Å; H82-D86 PolarHBondContact O-N 3.08Å
83E94.4Very high92.9Very high60 Ų6090.9 Ų90.928%0.2844%0.436SS..Hα-helixtrans-65-30.9177.9-56.783.5170.500112.2L66 C69 C80 W87L66-E83 HydrophobicContact CB-CB 4.26Å; C69-E83 HydrophobicContact CB-CG 4.25Å; C69-E83 PolarHBondContact SG-OE1 3.03Å; C69-E83 VanDerWaalsContact SG-OE1 3.38Å; C80-E83 VanDerWaalsContact C-OE2 3.31Å; C80-E83 VanDerWaalsContact CA-OE2 3.27Å; C80-E83 WeakPolarHBondContact CA-OE2 2.96Å; C80-E83 VanDerWaalsContact SG-CD 3.59Å; C80-E83 PolarHBondContact SG-OE2 3.09Å; E83-W87 PolarHBondContact O-N 3.28Å
84R94.6Very high93.1Very high79 Ų7989.1 Ų89.130%0.29843%0.426SS..Hα-helixtrans-64.5-53.6170.5-95.1-179-87.6-174.7-7.7111.5L66 F77 C80 K81 H82 D86 W87 D88L66-R84 HydrophobicContact CD1-CB 4.23Å; L66-R84 HydrophobicContact CD1-CG 3.42Å; L66-R84 VanDerWaalsContact CD1-CG 3.42Å; L66-R84 HydrophobicContact CG-CG 4.16Å; F77-R84 PolarHBondContact O-NH2 2.83Å; C80-R84 PolarHBondContact O-NE 3.16Å; C80-R84 PolarHBondContact O-NH2 2.84Å; K81-R84 WeakPolarHBondContact O-CB 3.48Å; K81-R84 PolarHBondContact O-N 3.02Å; H82-R84 PolarHBondContact O-N 2.96Å; R84-D86 VanDerWaalsContact C-N 3.26Å; R84-D86 PolarHBondContact O-N 3.14Å; R84-W87 PolarHBondContact O-N 3.31Å; R84-W87 VanDerWaalsContact O-N 3.16Å; R84-D88 VanDerWaalsContact O-CG 3.22Å; R84-D88 PolarHBondContact O-N 3.35Å
85H96.9Very high93.5Very high117 Ų11786.1 Ų86.154%0.54242%0.416SS..Hα-helixtrans-58.7-39.6178.9178.2-86.4000112.1K81 H82 W87 D88 Y89K81-H85 PolarHBondContact O-N 3.49Å; H82-H85 PolarHBondContact O-N 3.09Å; H82-H85 VanDerWaalsContact O-N 3.15Å; H85-W87 VanDerWaalsContact C-N 3.35Å; H85-W87 PolarHBondContact O-N 3.05Å; H85-D88 PolarHBondContact O-N 2.95Å; H85-Y89 WeakPolarHBondContact O-CB 3.36Å; H85-Y89 PolarHBondContact O-N 3.1Å
86D96.5Very high93.8Very high74 Ų7484.2 Ų84.240%0.39640%0.403SS..Hα-helixtrans-63.7-40.8177.9-68-16.3000112.2H82 R84 C90H82-D86 VanDerWaalsContact O-CG 3.28Å; H82-D86 PolarHBondContact O-N 3.08Å; R84-D86 VanDerWaalsContact C-N 3.26Å; R84-D86 PolarHBondContact O-N 3.14Å; D86-C90 VanDerWaalsContact O-CB 3.3Å; D86-C90 WeakPolarHBondContact O-CB 3.16Å; D86-C90 PolarHBondContact O-N 3.16Å; D86-C90 VanDerWaalsContact O-N 3.12Å
87W95.6Very high93.9Very high47 Ų4781.9 Ų81.918%0.17839%0.388CS..Hα-helixtrans-65.2-50.9174.4176.454.8000111.4H62 L63 L66 E83 R84 H85 Y89 C90 E91H62-W87 HydrophobicContact CB-CB 3.86Å; H62-W87 HydrophobicContact CB-CG 4.42Å; L63-W87 HydrophobicContact CD1-CD2 4.23Å; L63-W87 HydrophobicContact CD1-CZ2 4Å; L66-W87 HydrophobicContact CD1-CB 4.42Å; L66-W87 HydrophobicContact CD1-CE3 4.14Å; E83-W87 PolarHBondContact O-N 3.28Å; R84-W87 PolarHBondContact O-N 3.31Å; R84-W87 VanDerWaalsContact O-N 3.16Å; H85-W87 VanDerWaalsContact C-N 3.35Å; H85-W87 PolarHBondContact O-N 3.05Å; W87-Y89 VanDerWaalsContact C-N 3.27Å; W87-Y89 PolarHBondContact O-N 3.42Å; W87-C90 PolarHBondContact O-N 3.37Å; W87-C90 VanDerWaalsContact O-N 3.13Å; W87-E91 WeakPolarHBondContact CZ2-OE1 3.37Å; W87-E91 PolarHBondContact NE1-OE1 2.93Å; W87-E91 PolarHBondContact O-N 2.77Å
88D96.6Very high94.5Very high79 Ų7983.5 Ų83.542%0.42239%0.391SS..Hα-helixtrans-58.7-40.3179.5-62.8-28.2000111.6R84 H85 E91 H92R84-D88 VanDerWaalsContact O-CG 3.22Å; R84-D88 PolarHBondContact O-N 3.35Å; H85-D88 PolarHBondContact O-N 2.95Å; D88-E91 PolarHBondContact O-N 2.82Å; D88-H92 WeakPolarHBondContact O-CB 3.41Å; D88-H92 PolarHBondContact O-N 3.49Å
89Y97.2Very high94.7Very high123 Ų12380.9 Ų80.948%0.48238%0.376SS..Hα-helixtrans-65.9-41.1178.4178.8-112.4000111.9H85 W87 H92 Q93H85-Y89 WeakPolarHBondContact O-CB 3.36Å; H85-Y89 PolarHBondContact O-N 3.1Å; W87-Y89 VanDerWaalsContact C-N 3.27Å; W87-Y89 PolarHBondContact O-N 3.42Å; Y89-H92 WeakPolarHBondContact O-CB 2.91Å; Y89-H92 PolarHBondContact O-N 2.84Å; Y89-Q93 HydrophobicContact CE1-CG 4.27Å; Y89-Q93 WeakPolarHBondContact O-CG 3.46Å; Y89-Q93 PolarHBondContact O-N 3.32Å; Y89-Q93 PolarHBondContact OH-NE2 3Å
90C95.9Very high95Very high15 Ų1584.2 Ų84.210%0.10138%0.381CS..Hα-helixtrans-69.1-39.2177.5162.10000111.7C59 D86 W87 H92 Q93 D94C59-C90 WeakPolarHBondContact CA-SG 3.44Å; C59-C90 HydrophobicContact CB-CB 4.32Å; C59-C90 WeakPolarHBondContact CB-SG 3.16Å; C59-C90 WeakPolarHBondContact SG-CB 3.5Å; C59-C90 CovalentContact SG-SG 2.03Å; C59-C90 PolarHBondContact SG-SG 2.94Å; D86-C90 VanDerWaalsContact O-CB 3.3Å; D86-C90 WeakPolarHBondContact O-CB 3.16Å; D86-C90 PolarHBondContact O-N 3.16Å; D86-C90 VanDerWaalsContact O-N 3.12Å; W87-C90 PolarHBondContact O-N 3.37Å; W87-C90 VanDerWaalsContact O-N 3.13Å; C90-H92 VanDerWaalsContact C-N 3.31Å; C90-H92 PolarHBondContact O-N 2.93Å; C90-Q93 WeakPolarHBondContact O-CB 3.03Å; C90-Q93 PolarHBondContact O-N 2.92Å; C90-D94 PolarHBondContact O-N 3.32Å
91E95.6Very high94.9Very high73 Ų7387.4 Ų87.434%0.34140%0.395SS..Hα-helixtrans-62.2-38.7170.3-68.3-164.315700112.4W87 D88 D94 Y95W87-E91 WeakPolarHBondContact CZ2-OE1 3.37Å; W87-E91 PolarHBondContact NE1-OE1 2.93Å; W87-E91 PolarHBondContact O-N 2.77Å; D88-E91 PolarHBondContact O-N 2.82Å; E91-D94 PolarHBondContact O-N 3.3Å; E91-Y95 PolarHBondContact O-N 3.46Å
92H96.7Very high94.8Very high109 Ų10984.9 Ų84.951%0.50538%0.383SS..Hα-helixtrans-62.7-41.4173.7173.6-90.8000111.8D88 Y89 C90 D94 Y95 V96D88-H92 WeakPolarHBondContact O-CB 3.41Å; D88-H92 PolarHBondContact O-N 3.49Å; Y89-H92 WeakPolarHBondContact O-CB 2.91Å; Y89-H92 PolarHBondContact O-N 2.84Å; C90-H92 VanDerWaalsContact C-N 3.31Å; C90-H92 PolarHBondContact O-N 2.93Å; H92-D94 VanDerWaalsContact C-N 3.34Å; H92-D94 PolarHBondContact O-N 3.13Å; H92-Y95 WeakPolarHBondContact O-CB 3.45Å; H92-Y95 PolarHBondContact O-N 3.48Å; H92-V96 WeakPolarHBondContact O-CG2 2.87Å; H92-V96 PolarHBondContact O-N 3.24Å
93Q95.9Very high94.7Very high93 Ų9382.4 Ų82.444%0.43537%0.371SS..Hα-helixtrans-61.7-42.3174.5-72.3-175.3-18.300111.8Y89 C90 Y95 V96 M97Y89-Q93 HydrophobicContact CE1-CG 4.27Å; Y89-Q93 WeakPolarHBondContact O-CG 3.46Å; Y89-Q93 PolarHBondContact O-N 3.32Å; Y89-Q93 PolarHBondContact OH-NE2 3Å; C90-Q93 WeakPolarHBondContact O-CB 3.03Å; C90-Q93 PolarHBondContact O-N 2.92Å; Q93-Y95 VanDerWaalsContact C-N 3.33Å; Q93-Y95 PolarHBondContact O-N 2.99Å; Q93-V96 PolarHBondContact O-N 3.24Å; Q93-M97 WeakPolarHBondContact O-CG 2.95Å; Q93-M97 PolarHBondContact O-N 2.03Å
94D95.3Very high94.6Very high32 Ų3281.7 Ų81.717%0.17137%0.366CS..Hα-helixtrans-63-39175.1-90.3-31.7000112.1R37 C90 E91 H92 M97 R98R37-D94 IonicContact NH1-OD1 3.04Å; R37-D94 PolarHBondContact NH1-OD1 3.12Å; C90-D94 PolarHBondContact O-N 3.32Å; E91-D94 PolarHBondContact O-N 3.3Å; H92-D94 VanDerWaalsContact C-N 3.34Å; H92-D94 PolarHBondContact O-N 3.13Å; D94-M97 PolarHBondContact O-N 3.17Å; D94-R98 WeakPolarHBondContact O-CG 3.3Å; D94-R98 PolarHBondContact O-N 3.18Å; D94-R98 VanDerWaalsContact O-N 3.09Å
95Y95.4Very high94.4Very high115 Ų11579.8 Ų79.845%0.45136%0.361SS..Hα-helixtrans-63-44.3173.4-176.7-101.6000112.4E91 H92 Q93 M97 R98 M99E91-Y95 PolarHBondContact O-N 3.46Å; H92-Y95 WeakPolarHBondContact O-CB 3.45Å; H92-Y95 PolarHBondContact O-N 3.48Å; Q93-Y95 VanDerWaalsContact C-N 3.33Å; Q93-Y95 PolarHBondContact O-N 2.99Å; Y95-M97 VanDerWaalsContact C-N 3.26Å; Y95-M97 PolarHBondContact O-N 3.06Å; Y95-R98 PolarHBondContact O-N 3.04Å; Y95-R98 VanDerWaalsContact O-N 3.17Å; Y95-M99 HydrophobicContact CD1-CG 4.11Å; Y95-M99 HydrophobicContact CE1-CE 4.33Å; Y95-M99 HydrophobicContact CE1-CG 3.73Å; Y95-M99 HydrophobicContact CE1-SD 3.82Å; Y95-M99 WeakPolarHBondContact O-CG 3.48Å; Y95-M99 PolarHBondContact O-N 2.91Å
96V96.4Very high94.1Very high47 Ų4776.4 Ų76.429%0.28534%0.343SS..Hα-helixtrans-60.3-38.2175.3168.80000111.1H92 Q93 M99 K100H92-V96 WeakPolarHBondContact O-CG2 2.87Å; H92-V96 PolarHBondContact O-N 3.24Å; Q93-V96 PolarHBondContact O-N 3.24Å; V96-M99 PolarHBondContact O-N 2.89Å; V96-K100 HydrophobicContact CG1-CD 4.44Å; V96-K100 WeakPolarHBondContact O-CG 3.47Å; V96-K100 PolarHBondContact O-N 2.77Å
97M93.3Very high93.9Very high71 Ų7180.7 Ų80.735%0.3535%0.354SS..Hα-helixtrans-64-42.1175.6-70.3-62.3-69.400112.2Q93 D94 Y95 M99 K100 E101Q93-M97 WeakPolarHBondContact O-CG 2.95Å; Q93-M97 PolarHBondContact O-N 2.03Å; D94-M97 PolarHBondContact O-N 3.17Å; Y95-M97 VanDerWaalsContact C-N 3.26Å; Y95-M97 PolarHBondContact O-N 3.06Å; M97-M99 VanDerWaalsContact C-N 3.33Å; M97-M99 PolarHBondContact O-N 2.94Å; M97-K100 WeakPolarHBondContact O-CB 3.25Å; M97-K100 PolarHBondContact O-N 3.06Å; M97-K100 HydrophobicContact SD-CD 4.09Å; M97-E101 WeakPolarHBondContact O-CG 3.04Å; M97-E101 PolarHBondContact O-N 3.16Å
98R92.3Very high93.8Very high165 Ų16579.8 Ų79.862%0.62335%0.352SS*.Hα-helixtrans-64-37.8175-67.9168.462.8-174.60.2112.2D94 Y95 E101 Y102D94-R98 WeakPolarHBondContact O-CG 3.3Å; D94-R98 PolarHBondContact O-N 3.18Å; D94-R98 VanDerWaalsContact O-N 3.09Å; Y95-R98 PolarHBondContact O-N 3.04Å; Y95-R98 VanDerWaalsContact O-N 3.17Å; R98-E101 PolarHBondContact O-N 3.4Å; R98-Y102 PolarHBondContact O-N 2.99Å
99M92.3Very high93.5Very high74 Ų7477 Ų7737%0.36534%0.336SS..Hα-helixtrans-63.4-40.3174-69-115.2-66.600112.1Y95 V96 M97 E101 Y102 E103Y95-M99 HydrophobicContact CD1-CG 4.11Å; Y95-M99 HydrophobicContact CE1-CE 4.33Å; Y95-M99 HydrophobicContact CE1-CG 3.73Å; Y95-M99 HydrophobicContact CE1-SD 3.82Å; Y95-M99 WeakPolarHBondContact O-CG 3.48Å; Y95-M99 PolarHBondContact O-N 2.91Å; V96-M99 PolarHBondContact O-N 2.89Å; M97-M99 VanDerWaalsContact C-N 3.33Å; M97-M99 PolarHBondContact O-N 2.94Å; M99-E101 VanDerWaalsContact C-N 3.33Å; M99-E101 PolarHBondContact O-N 3.14Å; M99-Y102 PolarHBondContact O-N 3.42Å; M99-E103 PolarHBondContact O-N 3.44Å
100K93Very high93.3Very high122 Ų12272.9 Ų72.953%0.5332%0.323SS..Hα-helixtrans-63.5-38.9174.8-70.6170.7-177.6174.20112V96 M97 R104V96-K100 HydrophobicContact CG1-CD 4.44Å; V96-K100 WeakPolarHBondContact O-CG 3.47Å; V96-K100 PolarHBondContact O-N 2.77Å; M97-K100 WeakPolarHBondContact O-CB 3.25Å; M97-K100 PolarHBondContact O-N 3.06Å; M97-K100 HydrophobicContact SD-CD 4.09Å; K100-R104 VanDerWaalsContact O-CB 3.29Å; K100-R104 WeakPolarHBondContact O-CB 3.38Å; K100-R104 PolarHBondContact O-N 3.06Å
101E91.3Very high93.2Very high71 Ų7180 Ų8033%0.33235%0.347SS..Hα-helixtrans-63.7-45.2175.9-72.4168.3-178.400111.2R34 R37 M97 R98 M99 R104 E105R34-E101 IonicContact NH2-OE1 3.67Å; R37-E101 IonicContact NH2-OE1 3.02Å; R37-E101 PolarHBondContact NH2-OE1 3.3Å; M97-E101 WeakPolarHBondContact O-CG 3.04Å; M97-E101 PolarHBondContact O-N 3.16Å; R98-E101 PolarHBondContact O-N 3.4Å; M99-E101 VanDerWaalsContact C-N 3.33Å; M99-E101 PolarHBondContact O-N 3.14Å; E101-R104 WeakPolarHBondContact O-CB 3.5Å; E101-R104 PolarHBondContact O-N 3.11Å; E101-E105 PolarHBondContact O-N 3.41Å; E101-E105 VanDerWaalsContact O-N 3.13Å
102Y91.4Very high93Very high70 Ų7081.5 Ų81.528%0.27535%0.353SS..Hα-helixtrans-59.8-48.1175177.3-96000112.8P17 R98 M99 R104 E105 R106P17-Y102 HydrophobicContact CG-CD2 3.83Å; P17-Y102 HydrophobicContact CG-CE2 3.58Å; R98-Y102 PolarHBondContact O-N 2.99Å; M99-Y102 PolarHBondContact O-N 3.42Å; Y102-R104 VanDerWaalsContact C-N 3.3Å; Y102-R104 PolarHBondContact O-N 2.04Å; Y102-E105 PolarHBondContact O-N 2.9Å; Y102-R106 PolarHBondContact O-N 3.39Å
103E91.9Very high92.8Very high94 Ų9479.5 Ų79.544%0.43934%0.343SS..Hα-helixtrans-64.6-35.3177.5-76.4-167-169.500112.8M99 R106 R107M99-E103 PolarHBondContact O-N 3.44Å; E103-R106 PolarHBondContact O-N 3.15Å; E103-R107 VanDerWaalsContact O-CG 3.27Å; E103-R107 WeakPolarHBondContact O-CG 3.41Å; E103-R107 PolarHBondContact O-N 3.23Å; E103-R107 IonicContact OE2-CZ 3.78Å; E103-R107 IonicContact OE2-NH2 2.86Å; E103-R107 PolarHBondContact OE2-NH2 3.05Å
104R91.6Very high92.7Very high46 Ų4683.4 Ų83.417%0.17435%0.354CS..Hα-helixtrans-59.6-49.5176.6175.5-178.4176.3-97.12.8110.3D26 I29 K100 E101 Y102 R107 L108D26-R104 PolarHBondContact O-NH2 2.93Å; I29-R104 PolarHBondContact O-NH2 3.34Å; K100-R104 VanDerWaalsContact O-CB 3.29Å; K100-R104 WeakPolarHBondContact O-CB 3.38Å; K100-R104 PolarHBondContact O-N 3.06Å; E101-R104 WeakPolarHBondContact O-CB 3.5Å; E101-R104 PolarHBondContact O-N 3.11Å; Y102-R104 VanDerWaalsContact C-N 3.3Å; Y102-R104 PolarHBondContact O-N 2.04Å; R104-R107 PolarHBondContact O-N 3.25Å; R104-L108 HydrophobicContact CG-CD1 3.98Å; R104-L108 HydrophobicContact CG-CG 4.47Å; R104-L108 WeakPolarHBondContact O-CG 2.93Å; R104-L108 PolarHBondContact O-N 3Å
105E91.1Very high92.7Very high38 Ų3886.6 Ų86.618%0.17837%0.37CS..Hα-helixtrans-60.9-47.4179.6-70.7-176163.300112P17 F23 E101 Y102 R107 L108 Q109P17-E105 HydrophobicContact CB-CB 3.96Å; P17-E105 HydrophobicContact CG-CB 4.09Å; F23-E105 WeakPolarHBondContact CA-OE1 3.27Å; F23-E105 WeakPolarHBondContact CB-OE1 3.47Å; E101-E105 PolarHBondContact O-N 3.41Å; E101-E105 VanDerWaalsContact O-N 3.13Å; Y102-E105 PolarHBondContact O-N 2.9Å; E105-R107 VanDerWaalsContact C-N 3.28Å; E105-R107 PolarHBondContact O-N 2.96Å; E105-L108 PolarHBondContact O-N 3.4Å; E105-L108 VanDerWaalsContact O-N 3.08Å; E105-Q109 WeakPolarHBondContact O-CG 2.94Å; E105-Q109 PolarHBondContact O-N 2.91Å
106R91.1Very high92.7Very high46 Ų4685.3 Ų85.317%0.17437%0.368CS..Hα-helixtrans-55.5-44.2176.6-171.4178-178-75.1-13.3111.9E12 E16 P17 Y102 E103 Q109 L110E12-R106 IonicContact OE2-NH2 2.71Å; E12-R106 PolarHBondContact OE2-NH2 3.01Å; E16-R106 IonicContact OE1-CZ 3.93Å; E16-R106 IonicContact OE1-NE 2.72Å; E16-R106 PolarHBondContact OE1-NE 3.5Å; E16-R106 IonicContact OE1-NH2 3.78Å; P17-R106 HydrophobicContact CG-CB 4.22Å; Y102-R106 PolarHBondContact O-N 3.39Å; E103-R106 PolarHBondContact O-N 3.15Å; R106-Q109 PolarHBondContact O-N 3.43Å; R106-L110 HydrophobicContact CG-CD1 4.35Å; R106-L110 WeakPolarHBondContact O-CB 3.4Å; R106-L110 VanDerWaalsContact O-CG 3.3Å; R106-L110 WeakPolarHBondContact O-CG 3.49Å; R106-L110 PolarHBondContact O-N 3.22Å
107R92.3Very high92.5Very high165 Ų16585.7 Ų85.762%0.62338%0.376SS*.Hα-helixtrans-67.9-35.6178.5-69.4176-163.5-160.78.1112.4E103 R104 E105 R111E103-R107 VanDerWaalsContact O-CG 3.27Å; E103-R107 WeakPolarHBondContact O-CG 3.41Å; E103-R107 PolarHBondContact O-N 3.23Å; E103-R107 IonicContact OE2-CZ 3.78Å; E103-R107 IonicContact OE2-NH2 2.86Å; E103-R107 PolarHBondContact OE2-NH2 3.05Å; R104-R107 PolarHBondContact O-N 3.25Å; E105-R107 VanDerWaalsContact C-N 3.28Å; E105-R107 PolarHBondContact O-N 2.96Å; R107-R111 WeakPolarHBondContact O-CB 3.4Å; R107-R111 PolarHBondContact O-N 3.05Å
108L92.6Very high92.7Very high27 Ų2789.1 Ų89.114%0.14139%0.389CS..Hα-helixtrans-68.9-41.6176-70.9173.8000111.7F25 I29 R104 E105 R111 K112F25-L108 HydrophobicContact CB-CD1 3.73Å; F25-L108 HydrophobicContact CD1-CB 4.13Å; F25-L108 HydrophobicContact CD1-CD1 4.22Å; F25-L108 HydrophobicContact CD2-CB 3.78Å; F25-L108 HydrophobicContact CD2-CD1 3.92Å; F25-L108 HydrophobicContact CE1-CB 4.01Å; F25-L108 HydrophobicContact CE2-CB 3.67Å; F25-L108 HydrophobicContact CG-CB 4.02Å; F25-L108 HydrophobicContact CG-CD1 3.68Å; F25-L108 HydrophobicContact CG-CG 4.46Å; F25-L108 HydrophobicContact CZ-CB 3.78Å; I29-L108 HydrophobicContact CG2-CD2 4.37Å; R104-L108 HydrophobicContact CG-CD1 3.98Å; R104-L108 HydrophobicContact CG-CG 4.47Å; R104-L108 WeakPolarHBondContact O-CG 2.93Å; R104-L108 PolarHBondContact O-N 3Å; E105-L108 PolarHBondContact O-N 3.4Å; E105-L108 VanDerWaalsContact O-N 3.08Å; L108-R111 WeakPolarHBondContact O-CB 3.47Å; L108-R111 PolarHBondContact O-N 2.96Å; L108-K112 PolarHBondContact O-N 3.29Å
109Q91.6Very high92.8Very high20 Ų2083.9 Ų83.99%0.09338%0.381CS..Hα-helixtrans-62.5-44.8174-68-177.3-2600111.4T15 E16 E24 F25 E105 R106 R111 K112 K113T15-Q109 PolarHBondContact O-OE1 3.07Å; E16-Q109 VanDerWaalsContact C-OE1 3.22Å; E24-Q109 PolarHBondContact OE2-NE2 3.42Å; E24-Q109 VanDerWaalsContact OE2-NE2 3.11Å; F25-Q109 HydrophobicContact CE2-CG 3.59Å; F25-Q109 HydrophobicContact CZ-CG 3.9Å; E105-Q109 WeakPolarHBondContact O-CG 2.94Å; E105-Q109 PolarHBondContact O-N 2.91Å; R106-Q109 PolarHBondContact O-N 3.43Å; Q109-R111 VanDerWaalsContact C-N 3.3Å; Q109-R111 PolarHBondContact O-N 3.15Å; Q109-K112 WeakPolarHBondContact O-CB 3.27Å; Q109-K112 PolarHBondContact O-N 3.44Å; Q109-K113 PolarHBondContact O-N 2.96Å
110L92.6Very high92.9Very high38 Ų3887.1 Ų87.120%0.19940%0.395CS..Hα-helixtrans-59.6-39.5173.9-74.6168.5000112.6T15 R106 R114T15-L110 HydrophobicContact CG2-CD2 3.53Å; T15-L110 HydrophobicContact CG2-CG 4.34Å; R106-L110 HydrophobicContact CG-CD1 4.35Å; R106-L110 WeakPolarHBondContact O-CB 3.4Å; R106-L110 VanDerWaalsContact O-CG 3.3Å; R106-L110 WeakPolarHBondContact O-CG 3.49Å; R106-L110 PolarHBondContact O-N 3.22Å; L110-R114 VanDerWaalsContact O-CG 3.3Å; L110-R114 WeakPolarHBondContact O-CG 3.36Å; L110-R114 PolarHBondContact O-N 3.38Å; L110-R114 VanDerWaalsContact O-N 3.11Å
111R92.6Very high93Very high163 Ų16384.6 Ų84.662%0.61540%0.397SS*.Hα-helixtrans-65.3-43175.6-176.5179.8177.91790111.3R107 L108 Q109 R114 I115R107-R111 WeakPolarHBondContact O-CB 3.4Å; R107-R111 PolarHBondContact O-N 3.05Å; L108-R111 WeakPolarHBondContact O-CB 3.47Å; L108-R111 PolarHBondContact O-N 2.96Å; Q109-R111 VanDerWaalsContact C-N 3.3Å; Q109-R111 PolarHBondContact O-N 3.15Å; R111-R114 PolarHBondContact O-N 3.01Å; R111-I115 HydrophobicContact CG-CD1 4Å; R111-I115 WeakPolarHBondContact O-CG1 3.3Å; R111-I115 PolarHBondContact O-N 3Å; R111-I115 VanDerWaalsContact O-N 3.08Å
112K92.7Very high93Very high106 Ų10689 Ų8946%0.46142%0.418SS..Hα-helixtrans-58.5-50.6176.8-179.8177172.3-176.10110.9L108 Q109 R114 I115 E116L108-K112 PolarHBondContact O-N 3.29Å; Q109-K112 WeakPolarHBondContact O-CB 3.27Å; Q109-K112 PolarHBondContact O-N 3.44Å; K112-R114 VanDerWaalsContact C-N 3.3Å; K112-R114 PolarHBondContact O-N 3.27Å; K112-I115 PolarHBondContact O-N 3.46Å; K112-E116 WeakPolarHBondContact CE-OE1 3.35Å; K112-E116 WeakPolarHBondContact CG-OE1 3.47Å; K112-E116 WeakPolarHBondContact O-CG 3.46Å; K112-E116 PolarHBondContact O-N 3.21Å
113K92.9Very high92.8Very high66 Ų6690.1 Ų90.129%0.28744%0.441SS..Hα-helixtrans-57.2-40.3176.1-67.6-149-175.2-178.80113.4D14 T15 Q109 I115 E116 A117D14-K113 VanDerWaalsContact C-NZ 3.25Å; D14-K113 WeakPolarHBondContact O-CE 3.39Å; D14-K113 IonicContact OD2-NZ 2.94Å; D14-K113 PolarHBondContact OD2-NZ 3.34Å; T15-K113 HydrophobicContact CG2-CD 3.39Å; T15-K113 HydrophobicContact CG2-CG 4.17Å; T15-K113 VanDerWaalsContact CG2-NZ 3.34Å; Q109-K113 PolarHBondContact O-N 2.96Å; K113-I115 VanDerWaalsContact C-N 3.32Å; K113-I115 PolarHBondContact O-N 2.9Å; K113-E116 PolarHBondContact O-N 3.03Å; K113-A117 WeakPolarHBondContact O-CB 3.33Å; K113-A117 PolarHBondContact O-N 3.42Å
114R93.8Very high91.8Very high176 Ų17692.2 Ų92.266%0.66448%0.475SS*.Hα-helixtrans-65.8-32.7177-74.1173.4-176.9-179.70.8113.1L110 R111 K112 K118L110-R114 VanDerWaalsContact O-CG 3.3Å; L110-R114 WeakPolarHBondContact O-CG 3.36Å; L110-R114 PolarHBondContact O-N 3.38Å; L110-R114 VanDerWaalsContact O-N 3.11Å; R111-R114 PolarHBondContact O-N 3.01Å; K112-R114 VanDerWaalsContact C-N 3.3Å; K112-R114 PolarHBondContact O-N 3.27Å; R114-K118 VanDerWaalsContact O-CG 3.26Å; R114-K118 WeakPolarHBondContact O-CG 3.39Å; R114-K118 PolarHBondContact O-N 3.46Å
115I94.8Very high91.8Very high98 Ų9894.5 Ų94.550%0.50349%0.49SS..Hα-helixtrans-75-43.8177.8-68.2166.1000109.7R111 K112 K113 K118 A119R111-I115 HydrophobicContact CG-CD1 4Å; R111-I115 WeakPolarHBondContact O-CG1 3.3Å; R111-I115 PolarHBondContact O-N 3Å; R111-I115 VanDerWaalsContact O-N 3.08Å; K112-I115 PolarHBondContact O-N 3.46Å; K113-I115 VanDerWaalsContact C-N 3.32Å; K113-I115 PolarHBondContact O-N 2.9Å; I115-K118 PolarHBondContact O-N 3.39Å; I115-A119 PolarHBondContact O-N 3.34Å
116E94.2Very high91.8Very high88 Ų8897.5 Ų97.541%0.41151%0.506SS..Hα-helixtrans-59.5-49.1176.6-70.1166.417200111.2K112 K113 K118 A119 E120K112-E116 WeakPolarHBondContact CE-OE1 3.35Å; K112-E116 WeakPolarHBondContact CG-OE1 3.47Å; K112-E116 WeakPolarHBondContact O-CG 3.46Å; K112-E116 PolarHBondContact O-N 3.21Å; K113-E116 PolarHBondContact O-N 3.03Å; E116-K118 VanDerWaalsContact C-N 3.27Å; E116-K118 PolarHBondContact O-N 3.16Å; E116-A119 PolarHBondContact O-N 3.18Å; E116-A119 VanDerWaalsContact O-N 3.15Å; E116-E120 WeakPolarHBondContact O-CG 3.4Å; E116-E120 PolarHBondContact O-N 3.17Å
117A93.9Very high91.9Very high56 Ų56100.3 Ų100.346%0.46352%0.524SS..Hα-helixtrans-61.7-32.1177.300000113.6K113 A121K113-A117 WeakPolarHBondContact O-CB 3.33Å; K113-A117 PolarHBondContact O-N 3.42Å; A117-A121 WeakPolarHBondContact O-CB 3.43Å; A117-A121 PolarHBondContact O-N 3.28Å; A117-A121 VanDerWaalsContact O-N 3.13Å
118K96.2Very high91.8Very high143 Ų14396.5 Ų96.562%0.62252%0.519SS*.Hα-helixtrans-71.8-43.8174.6-78.1178.4177.3-164.30111.8R114 I115 E116 E120 A121 E122R114-K118 VanDerWaalsContact O-CG 3.26Å; R114-K118 WeakPolarHBondContact O-CG 3.39Å; R114-K118 PolarHBondContact O-N 3.46Å; I115-K118 PolarHBondContact O-N 3.39Å; E116-K118 VanDerWaalsContact C-N 3.27Å; E116-K118 PolarHBondContact O-N 3.16Å; K118-E120 VanDerWaalsContact C-N 3.3Å; K118-E120 PolarHBondContact O-N 3.36Å; K118-A121 PolarHBondContact O-N 3.38Å; K118-E122 WeakPolarHBondContact O-CG 3.47Å; K118-E122 PolarHBondContact O-N 3.15Å
119A95.7Very high91.8Very high55 Ų55100.9 Ų100.946%0.45554%0.542SS..Hα-helixtrans-62.6-38.9176.900000111.5I115 E116 E122 A123I115-A119 PolarHBondContact O-N 3.34Å; E116-A119 PolarHBondContact O-N 3.18Å; E116-A119 VanDerWaalsContact O-N 3.15Å; A119-E122 PolarHBondContact O-N 2.96Å; A119-A123 VanDerWaalsContact O-CB 3.26Å; A119-A123 WeakPolarHBondContact O-CB 3.16Å; A119-A123 PolarHBondContact O-N 2.89Å
120E94.1Very high91.8Very high141 Ų141106.3 Ų106.366%0.65957%0.572SS**Hα-helixtrans-63.9-41173.5-72.1173.8-179.900112.3E116 K118 A123 A124E116-E120 WeakPolarHBondContact O-CG 3.4Å; E116-E120 PolarHBondContact O-N 3.17Å; K118-E120 VanDerWaalsContact C-N 3.3Å; K118-E120 PolarHBondContact O-N 3.36Å; E120-A123 PolarHBondContact O-N 3.33Å; E120-A124 PolarHBondContact O-N 3.32Å
121A94.3Very high91.8Very high70 Ų70111.1 Ų111.158%0.57960%0.599SS**Hα-helixtrans-70.4-29.5177.400000113.6A117 K118A117-A121 WeakPolarHBondContact O-CB 3.43Å; A117-A121 PolarHBondContact O-N 3.28Å; A117-A121 VanDerWaalsContact O-N 3.13Å; K118-A121 PolarHBondContact O-N 3.38Å
122E91.9Very high91.7Very high164 Ų164107.2 Ų107.277%0.76660%0.598SS**Hα-helixtrans-80.1-24.1174.6-72.7174.1-17400112.6K118 A119K118-E122 WeakPolarHBondContact O-CG 3.47Å; K118-E122 PolarHBondContact O-N 3.15Å; A119-E122 PolarHBondContact O-N 2.96Å
123A86.8Confident91.6Very high92 Ų92107.3 Ų107.376%0.7661%0.609SS**Hα-helixtrans-86-16178.200000114A119 E120A119-A123 VanDerWaalsContact O-CB 3.26Å; A119-A123 WeakPolarHBondContact O-CB 3.16Å; A119-A123 PolarHBondContact O-N 2.89Å; E120-A123 PolarHBondContact O-N 3.33Å
124A70.8Confident91.5Very high138 Ų138111 Ų111100%1.14164%0.638SS**  trans-91.10177.100000111.9E120E120-A124 PolarHBondContact O-N 3.32Å

Retrieved 124 of 124 residues in 337.9 ms (Link to these results)

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