A0A077ZGQ2_TRITR Loading...

Putative complexin-1

Positively regulates a late step in synaptic vesicle exocytosis.

AlphaFold DB , UniProt , Accession A0A077ZGQ2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 145 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
1M56.5Low73.6Confident217 Ų217104.5 Ų104.5100%1.06959%0.593SS**  0-50.60-66.3-70.8-104.100112.7G3 F4M1-G3 PolarHBondContact O-N 3.28Å; M1-F4 PolarHBondContact O-N 3.16Å
2A67.1Low73.7Confident77 Ų77102.4 Ų102.464%0.63659%0.59SS**Hα-helixtrans-58-39.4-175.800000115.5F4 V5 V6A2-F4 VanDerWaalsContact C-N 3.3Å; A2-F4 PolarHBondContact O-N 2.69Å; A2-V5 PolarHBondContact O-N 2.87Å; A2-V6 WeakPolarHBondContact O-CG2 3.37Å; A2-V6 PolarHBondContact O-N 3.01Å; A2-V6 VanDerWaalsContact O-N 3.17Å
3G65.4Low73.6Confident57 Ų57104.8 Ų104.859%0.58859%0.59SS**Hα-helixtrans-64.8-27.6-178.700000115.1M1 K7M1-G3 PolarHBondContact O-N 3.28Å; G3-K7 PolarHBondContact O-N 2.97Å; G3-K7 VanDerWaalsContact O-N 3.14Å
4F79.7Confident73.1Confident134 Ų134105 Ų10559%0.58859%0.587SS**Hα-helixtrans-73.7-40.1177.3-175.6-99000111.6M1 A2 K7 Q8M1-F4 PolarHBondContact O-N 3.16Å; A2-F4 VanDerWaalsContact C-N 3.3Å; A2-F4 PolarHBondContact O-N 2.69Å; F4-K7 PolarHBondContact O-N 3.49Å; F4-Q8 HydrophobicContact CE1-CG 4.2Å; F4-Q8 HydrophobicContact CZ-CG 4.36Å; F4-Q8 PolarHBondContact O-N 3.48Å
5V78.3Confident73Confident87 Ų87104.8 Ų104.853%0.52759%0.59SS.*Hα-helixtrans-63.1-44.5175.9-177.80000110.5A2 K7 Q8 V9A2-V5 PolarHBondContact O-N 2.87Å; V5-K7 VanDerWaalsContact C-N 3.33Å; V5-K7 PolarHBondContact O-N 3.29Å; V5-Q8 PolarHBondContact O-N 2.84Å; V5-V9 WeakPolarHBondContact O-CG2 3.17Å; V5-V9 PolarHBondContact O-N 2.92Å
6V78Confident73Confident93 Ų93107.8 Ų107.856%0.56460%0.598SS**Hα-helixtrans-62.2-40.5176.7176.20000111.4A2 V9 L10A2-V6 WeakPolarHBondContact O-CG2 3.37Å; A2-V6 PolarHBondContact O-N 3.01Å; A2-V6 VanDerWaalsContact O-N 3.17Å; V6-V9 PolarHBondContact O-N 3.15Å; V6-L10 WeakPolarHBondContact O-CB 3.35Å; V6-L10 PolarHBondContact O-N 2.67Å
7K78.3Confident72.5Confident163 Ų163110.1 Ų110.171%0.70961%0.605SS**Hα-helixtrans-64.6-40.1178.2-173.2168.9-176.6172.70112.7G3 F4 V5 G11G3-K7 PolarHBondContact O-N 2.97Å; G3-K7 VanDerWaalsContact O-N 3.14Å; F4-K7 PolarHBondContact O-N 3.49Å; V5-K7 VanDerWaalsContact C-N 3.33Å; V5-K7 PolarHBondContact O-N 3.29Å; K7-G11 PolarHBondContact O-N 3.46Å
8Q78.2Confident72.2Confident115 Ų115113.2 Ų113.254%0.53761%0.611SS.*Hα-helixtrans-66.5-48.5176.2-77.8-173.2-39.600111.5F4 V5 L10 G11 S12F4-Q8 HydrophobicContact CE1-CG 4.2Å; F4-Q8 HydrophobicContact CZ-CG 4.36Å; F4-Q8 PolarHBondContact O-N 3.48Å; V5-Q8 PolarHBondContact O-N 2.84Å; Q8-L10 PolarHBondContact O-N 3.34Å; Q8-G11 PolarHBondContact O-N 3.41Å; Q8-S12 PolarHBondContact O-N 2.98Å; Q8-S12 PolarHBondContact O-OG 3.47Å; Q8-S12 VanDerWaalsContact O-OG 3.08Å
9V81.8Confident71.8Confident77 Ų77109.2 Ų109.247%0.46760%0.599SS.*Hα-helixtrans-64-41.9-180177.20000111.7V5 V6 K13V5-V9 WeakPolarHBondContact O-CG2 3.17Å; V5-V9 PolarHBondContact O-N 2.92Å; V6-V9 PolarHBondContact O-N 3.15Å; V9-K13 HydrophobicContact CG1-CD 4.37Å; V9-K13 WeakPolarHBondContact O-CG 3.44Å; V9-K13 PolarHBondContact O-N 3.41Å; V9-K13 VanDerWaalsContact O-N 3.12Å
10L73.2Confident71.4Confident97 Ų97105.2 Ų105.251%0.50859%0.585SS.*Hα-helixtrans-72.4-35.9179.7-168.663.1000112.1V6 Q8 K13 L14V6-L10 WeakPolarHBondContact O-CB 3.35Å; V6-L10 PolarHBondContact O-N 2.67Å; Q8-L10 PolarHBondContact O-N 3.34Å; L10-K13 PolarHBondContact O-N 3.39Å; L10-L14 HydrophobicContact CG-CD1 4.18Å; L10-L14 WeakPolarHBondContact O-CB 3.46Å; L10-L14 WeakPolarHBondContact O-CG 3.49Å; L10-L14 PolarHBondContact O-N 3.15Å
11G73.3Confident70.9Confident32 Ų32105.5 Ų105.533%0.3359%0.585SS.*Hα-helixtrans-63.3-43.4174.700000112.4K7 Q8 T15K7-G11 PolarHBondContact O-N 3.46Å; Q8-G11 PolarHBondContact O-N 3.41Å; G11-T15 WeakPolarHBondContact O-CB 3.46Å; G11-T15 PolarHBondContact O-N 3.42Å; G11-T15 PolarHBondContact O-OG1 2.86Å
12S74.5Confident71.3Confident80 Ų80101 Ų10156%0.55957%0.565SS**Hα-helixtrans-63-47.6175.1-59.10000111.7Q8 L14 T15 E16Q8-S12 PolarHBondContact O-N 2.98Å; Q8-S12 PolarHBondContact O-OG 3.47Å; Q8-S12 VanDerWaalsContact O-OG 3.08Å; S12-L14 PolarHBondContact O-N 3.41Å; S12-T15 PolarHBondContact O-N 2.78Å; S12-E16 WeakPolarHBondContact O-CB 3.25Å; S12-E16 PolarHBondContact O-N 3.28Å
13K72.3Confident71.1Confident134 Ų134105.6 Ų105.658%0.58357%0.571SS**Hα-helixtrans-63.5-39179.3-72.2-175.5-177.5-139.90113.3V9 L10 M17V9-K13 HydrophobicContact CG1-CD 4.37Å; V9-K13 WeakPolarHBondContact O-CG 3.44Å; V9-K13 PolarHBondContact O-N 3.41Å; V9-K13 VanDerWaalsContact O-N 3.12Å; L10-K13 PolarHBondContact O-N 3.39Å; K13-M17 WeakPolarHBondContact O-CB 3.31Å; K13-M17 PolarHBondContact O-N 2.83Å
14L66.3Low70.4Confident107 Ų107109.8 Ų109.856%0.5658%0.579SS**Hα-helixtrans-69.1-36.7176.6-83168.9000112.4L10 S12 K18L10-L14 HydrophobicContact CG-CD1 4.18Å; L10-L14 WeakPolarHBondContact O-CB 3.46Å; L10-L14 WeakPolarHBondContact O-CG 3.49Å; L10-L14 PolarHBondContact O-N 3.15Å; S12-L14 PolarHBondContact O-N 3.41Å; L14-K18 WeakPolarHBondContact O-CB 3.33Å; L14-K18 PolarHBondContact O-N 3.44Å
15T71.8Confident69.3Low102 Ų102108.6 Ų108.663%0.62658%0.583SS**Hα-helixtrans-68-40.4177-51.60000110.7G11 S12 K18 G19G11-T15 WeakPolarHBondContact O-CB 3.46Å; G11-T15 PolarHBondContact O-N 3.42Å; G11-T15 PolarHBondContact O-OG1 2.86Å; S12-T15 PolarHBondContact O-N 2.78Å; T15-K18 PolarHBondContact O-N 3.47Å; T15-G19 PolarHBondContact O-N 2.98Å
16E72.4Confident67.7Low153 Ų153107.3 Ų107.372%0.71559%0.587SS**Hα-helixtrans-69-42.7177.3-158.6168-145.500112S12 K18 G19 G20S12-E16 WeakPolarHBondContact O-CB 3.25Å; S12-E16 PolarHBondContact O-N 3.28Å; E16-K18 PolarHBondContact O-N 3.11Å; E16-G19 PolarHBondContact O-N 2.95Å; E16-G20 PolarHBondContact O-N 2.99Å
17M65.8Low66.1Low147 Ų147109.6 Ų109.672%0.72460%0.596SS**Hα-helixtrans-64.1-38.3171.3-92.5-174.785.200112.6K13 G20 L21K13-M17 WeakPolarHBondContact O-CB 3.31Å; K13-M17 PolarHBondContact O-N 2.83Å; M17-G20 PolarHBondContact O-N 3.32Å; M17-L21 VanDerWaalsContact O-CB 3.3Å; M17-L21 WeakPolarHBondContact O-CB 3.33Å; M17-L21 PolarHBondContact O-N 2.89Å
18K66.5Low64.2Low165 Ų165108.6 Ų108.672%0.71760%0.598SS**Hα-helixtrans-68.6-40.8178.1-173.3170.1178.9-178.70111.5L14 T15 E16 D22L14-K18 WeakPolarHBondContact O-CB 3.33Å; L14-K18 PolarHBondContact O-N 3.44Å; T15-K18 PolarHBondContact O-N 3.47Å; E16-K18 PolarHBondContact O-N 3.11Å; K18-D22 WeakPolarHBondContact O-CB 3.36Å; K18-D22 PolarHBondContact O-N 2.8Å; K18-D22 VanDerWaalsContact O-N 3.07Å
19G63.8Low62.3Low37 Ų37108.7 Ų108.738%0.38161%0.612SS.*Hα-helixtrans-67.9-33.6173.600000113.4T15 E16 K23T15-G19 PolarHBondContact O-N 2.98Å; E16-G19 PolarHBondContact O-N 2.95Å; G19-K23 PolarHBondContact O-N 2.96Å
20G65.5Low60.1Low30 Ų30108.3 Ų108.331%0.30962%0.623SS.*Hα-helixtrans-72.6-37.8174.800000113.3E16 M17 K23 L24E16-G20 PolarHBondContact O-N 2.99Å; M17-G20 PolarHBondContact O-N 3.32Å; G20-K23 PolarHBondContact O-N 3.44Å; G20-L24 WeakPolarHBondContact O-CB 3.49Å; G20-L24 WeakPolarHBondContact O-CG 3.32Å; G20-L24 PolarHBondContact O-N 3.04Å
21L61.1Low58.3Low111 Ų111110.6 Ų110.658%0.58164%0.636SS**Hα-helixtrans-67.4-44.1175.9-174.463.3000110.9M17 K23 L24 T25M17-L21 VanDerWaalsContact O-CB 3.3Å; M17-L21 WeakPolarHBondContact O-CB 3.33Å; M17-L21 PolarHBondContact O-N 2.89Å; L21-K23 VanDerWaalsContact C-N 3.26Å; L21-K23 PolarHBondContact O-N 2.86Å; L21-L24 PolarHBondContact O-N 3.44Å; L21-T25 HydrophobicContact CD1-CG2 4.33Å; L21-T25 PolarHBondContact O-N 2.93Å; L21-T25 PolarHBondContact O-OG1 3.31Å
22D63.7Low56.4Low123 Ų123112.9 Ų112.966%0.65865%0.647SS**Hα-helixtrans-58.9-37.9176.1-164.249.7000112.1K18 G26K18-D22 WeakPolarHBondContact O-CB 3.36Å; K18-D22 PolarHBondContact O-N 2.8Å; K18-D22 VanDerWaalsContact O-N 3.07Å; D22-G26 PolarHBondContact O-N 3.36Å
23K62.8Low54.5Low173 Ų173117.9 Ų117.975%0.75266%0.659SS**Hα-helixtrans-72.1-26.6173-80175.7176.5-74.60114.5G19 G20 L21G19-K23 PolarHBondContact O-N 2.96Å; G20-K23 PolarHBondContact O-N 3.44Å; L21-K23 VanDerWaalsContact C-N 3.26Å; L21-K23 PolarHBondContact O-N 2.86Å
24L52.1Low52.6Low146 Ų146115 Ų11576%0.76465%0.653SS**Hα-helixtrans-89.3-26.6179.7-81.9165.3000113.1G20 L21G20-L24 WeakPolarHBondContact O-CB 3.49Å; G20-L24 WeakPolarHBondContact O-CG 3.32Å; G20-L24 PolarHBondContact O-N 3.04Å; L21-L24 PolarHBondContact O-N 3.44Å
25T55.4Low51.4Low109 Ų109119 Ų11967%0.66967%0.668SS**Hα-helixtrans-90.3-4.9173.441.20000113.7L21L21-T25 HydrophobicContact CD1-CG2 4.33Å; L21-T25 PolarHBondContact O-N 2.93Å; L21-T25 PolarHBondContact O-OG1 3.31Å
26G44.8Very low50.2Low59 Ų59120.3 Ų120.361%0.60868%0.676SS**SBendtrans-113.928.6-171.500000115.3D22D22-G26 PolarHBondContact O-N 3.36Å
27D44.9Very low49.1Very low142 Ų142116.6 Ų116.676%0.75968%0.679SS**SBendtrans-157.6122.2167.4-161.923.5000113.1
28N38.4Very low48.1Very low141 Ų141113.6 Ų113.675%0.75466%0.663SS**  trans87.4126.9154.5-149.128.5000120.2
29S38Very low47.2Very low117 Ų117111.4 Ų111.482%0.81866%0.659SS**  trans86.9111.4175.5-31.60000114.3
30G35.6Very low47Very low69 Ų69114 Ų11471%0.71167%0.67SS**  cis155.7148.215.700000106.9
31D35.8Very low46.5Very low146 Ų146120.2 Ų120.278%0.78169%0.69SS**  trans60.2103.5151.1-121.910.3000116.9
32S33.4Very low46.3Very low79 Ų79119.2 Ų119.255%0.55269%0.689SS**  52.7124.667.11180000112.7
33K33.9Very low46Very low186 Ų186116.1 Ų116.181%0.80967%0.674SS**  trans78.2101.1172.7-51.1-71.8-171.1173.30115.6
34T33.5Very low45.7Very low74 Ų74114.1 Ų114.145%0.45467%0.667SS.*  -17063.812427.20000110.8T36 E38T34-T36 PolarHBondContact O-N 2.85Å; T34-E38 WeakPolarHBondContact CB-OE1 3.48Å; T34-E38 HydrophobicContact CG2-CG 4.03Å; T34-E38 VanDerWaalsContact OG1-CD 3.27Å; T34-E38 WeakPolarHBondContact OG1-CG 3.3Å; T34-E38 PolarHBondContact OG1-OE1 3.5Å
35E40.4Very low46.1Very low189 Ų189109.8 Ų109.888%0.88365%0.653SS**SBendtrans-59.8116.8133.9-172-177.9-164.300105.4
36T47Very low46.4Very low131 Ų131112.7 Ų112.780%0.80465%0.652SS**SBendtrans8898.4175.6-26.40000116.3T34T34-T36 PolarHBondContact O-N 2.85Å
37G48.8Very low47.2Very low74 Ų74114 Ų11476%0.76364%0.644SS**  trans102.723.8154.700000117.9D39G37-D39 PolarHBondContact O-N 3.3Å
38E45.2Very low48.2Very low84 Ų84112.1 Ų112.139%0.39363%0.631SS.*  trans-58.2124.1178.1-64.7-174.7165.200111.8T34 V43T34-E38 WeakPolarHBondContact CB-OE1 3.48Å; T34-E38 HydrophobicContact CG2-CG 4.03Å; T34-E38 VanDerWaalsContact OG1-CD 3.27Å; T34-E38 WeakPolarHBondContact OG1-CG 3.3Å; T34-E38 PolarHBondContact OG1-OE1 3.5Å; E38-V43 HydrophobicContact CB-CG2 3.76Å
39D47.2Very low49.8Very low120 Ų120107.9 Ų107.964%0.64262%0.615SS**  trans-45.9131.1175.2-77.2-47000110.4G37 E41 V42G37-D39 PolarHBondContact O-N 3.3Å; D39-E41 PolarHBondContact O-N 2.69Å; D39-V42 PolarHBondContact O-N 3.39Å
40P59.5Low51.2Low92 Ų92106.2 Ų106.260%0.59760%0.595SS**Hα-helixtrans-58.1-18.5-17222.8-34.1000113.7Q44P40-Q44 VanDerWaalsContact O-CG 3.24Å; P40-Q44 WeakPolarHBondContact O-CG 3.26Å; P40-Q44 PolarHBondContact O-N 2.98Å
41E56.1Low52.7Low159 Ų159107.6 Ų107.674%0.74358%0.583SS**Hα-helixtrans-75.7-34.3176.4-60-168.8170.400113.3D39 Q44 A45D39-E41 PolarHBondContact O-N 2.69Å; E41-Q44 PolarHBondContact O-N 3.31Å; E41-A45 PolarHBondContact O-N 3.29Å
42V55.2Low54.6Low91 Ų91107.9 Ų107.955%0.55257%0.573SS**Hα-helixtrans-76.3-37.7-180-178.70000110.9D39 Q44 A45 R46D39-V42 PolarHBondContact O-N 3.39Å; V42-Q44 VanDerWaalsContact C-N 3.31Å; V42-Q44 PolarHBondContact O-N 2.97Å; V42-A45 PolarHBondContact O-N 3.4Å; V42-R46 PolarHBondContact O-N 3.43Å
43V57.5Low56.6Low57 Ų57113 Ų11335%0.34558%0.58SS.*Hα-helixtrans-62.1-41.6172.3-178.60000110.2E38 R46 L47E38-V43 HydrophobicContact CB-CG2 3.76Å; V43-R46 PolarHBondContact O-N 2.83Å; V43-L47 HydrophobicContact CG1-CD1 4.04Å; V43-L47 WeakPolarHBondContact O-CB 3.38Å; V43-L47 VanDerWaalsContact O-CG 3.23Å; V43-L47 WeakPolarHBondContact O-CG 2.75Å; V43-L47 PolarHBondContact O-N 3.14Å
44Q57.1Low58.6Low131 Ų131109.1 Ų109.161%0.61257%0.565SS**Hα-helixtrans-63.5-41.1174-76.7178.222.900112.5P40 E41 V42 R46 L47 E48P40-Q44 VanDerWaalsContact O-CG 3.24Å; P40-Q44 WeakPolarHBondContact O-CG 3.26Å; P40-Q44 PolarHBondContact O-N 2.98Å; E41-Q44 PolarHBondContact O-N 3.31Å; V42-Q44 VanDerWaalsContact C-N 3.31Å; V42-Q44 PolarHBondContact O-N 2.97Å; Q44-R46 PolarHBondContact O-N 3.49Å; Q44-L47 PolarHBondContact O-N 3.45Å; Q44-E48 WeakPolarHBondContact O-CB 3.25Å; Q44-E48 PolarHBondContact O-N 3.22Å
45A61.4Low60.7Low56 Ų56110.9 Ų110.946%0.46357%0.568SS.*Hα-helixtrans-65.6-38.817900000113E41 V42 E48 A49E41-A45 PolarHBondContact O-N 3.29Å; V42-A45 PolarHBondContact O-N 3.4Å; A45-E48 PolarHBondContact O-N 2.71Å; A45-A49 PolarHBondContact O-N 2.81Å; A45-A49 VanDerWaalsContact O-N 3.07Å
46R61.3Low62.8Low170 Ų170108.7 Ų108.764%0.64256%0.555SS**Hα-helixtrans-65.8-44174-174.7172.5175.7166.6-1.5111.3V42 V43 Q44 A49 E50V42-R46 PolarHBondContact O-N 3.43Å; V43-R46 PolarHBondContact O-N 2.83Å; Q44-R46 PolarHBondContact O-N 3.49Å; R46-A49 PolarHBondContact O-N 3.17Å; R46-E50 IonicContact NE-OE1 3.29Å; R46-E50 PolarHBondContact O-N 3.32Å; R46-E50 VanDerWaalsContact O-N 3.12Å
47L61.8Low64.6Low86 Ų86108.7 Ų108.745%0.4555%0.546SS..Hα-helixtrans-64.7-39.1176.3-69.1173.7000112V43 Q44 E50 Q51V43-L47 HydrophobicContact CG1-CD1 4.04Å; V43-L47 WeakPolarHBondContact O-CB 3.38Å; V43-L47 VanDerWaalsContact O-CG 3.23Å; V43-L47 WeakPolarHBondContact O-CG 2.75Å; V43-L47 PolarHBondContact O-N 3.14Å; Q44-L47 PolarHBondContact O-N 3.45Å; L47-E50 PolarHBondContact O-N 3.42Å; L47-Q51 VanDerWaalsContact O-CB 3.26Å; L47-Q51 WeakPolarHBondContact O-CB 3.24Å; L47-Q51 WeakPolarHBondContact O-CG 3.47Å; L47-Q51 PolarHBondContact O-N 3.26Å
48E65.3Low66.3Low102 Ų102112.4 Ų112.448%0.47754%0.537SS..Hα-helixtrans-65.7-40.8177.1-165-162.9147.300111.4Q44 A45 E50 Q51 R52Q44-E48 WeakPolarHBondContact O-CB 3.25Å; Q44-E48 PolarHBondContact O-N 3.22Å; A45-E48 PolarHBondContact O-N 2.71Å; E48-E50 PolarHBondContact O-N 3.3Å; E48-Q51 PolarHBondContact O-N 2.77Å; E48-R52 WeakPolarHBondContact O-CB 3.14Å; E48-R52 VanDerWaalsContact O-CG 3.31Å; E48-R52 WeakPolarHBondContact O-CG 3.2Å; E48-R52 PolarHBondContact O-N 3.28Å; E48-R52 IonicContact OE1-CZ 3.99Å; E48-R52 IonicContact OE1-NH1 3.81Å; E48-R52 PolarHBondContact OE1-NH1 3.14Å
49A72Confident68.2Low52 Ų52114.6 Ų114.643%0.4355%0.545SS..Hα-helixtrans-65.4-39.317800000112.4A45 R46 R53A45-A49 PolarHBondContact O-N 2.81Å; A45-A49 VanDerWaalsContact O-N 3.07Å; R46-A49 PolarHBondContact O-N 3.17Å; A49-R53 WeakPolarHBondContact O-CG 3.31Å; A49-R53 PolarHBondContact O-N 3.06Å
50E67.6Low70.1Confident83 Ų83114 Ų11439%0.38854%0.54SS..Hα-helixtrans-69.9-43173.5-72.6179.3-161.300111.5R46 L47 E48 R52 R53 Q54R46-E50 IonicContact NE-OE1 3.29Å; R46-E50 PolarHBondContact O-N 3.32Å; R46-E50 VanDerWaalsContact O-N 3.12Å; L47-E50 PolarHBondContact O-N 3.42Å; E48-E50 PolarHBondContact O-N 3.3Å; E50-R52 PolarHBondContact O-N 3.3Å; E50-R53 WeakPolarHBondContact O-CB 3.27Å; E50-R53 PolarHBondContact O-N 2.89Å; E50-R53 VanDerWaalsContact O-N 3.12Å; E50-Q54 WeakPolarHBondContact O-CG 3.47Å; E50-Q54 PolarHBondContact O-N 3.48Å
51Q67.4Low71.4Confident98 Ų98114.2 Ų114.246%0.45853%0.533SS..Hα-helixtrans-59.2-43.9175.1-77.2177.323.600111.4L47 E48 R53 Q54 E55L47-Q51 VanDerWaalsContact O-CB 3.26Å; L47-Q51 WeakPolarHBondContact O-CB 3.24Å; L47-Q51 WeakPolarHBondContact O-CG 3.47Å; L47-Q51 PolarHBondContact O-N 3.26Å; E48-Q51 PolarHBondContact O-N 2.77Å; Q51-R53 VanDerWaalsContact C-N 3.26Å; Q51-R53 PolarHBondContact O-N 3.31Å; Q51-Q54 CarbonylContact O-C 3.57Å; Q51-Q54 PolarHBondContact O-N 3.07Å; Q51-Q54 VanDerWaalsContact O-N 3.14Å; Q51-E55 VanDerWaalsContact O-CB 3.26Å; Q51-E55 WeakPolarHBondContact O-CB 3.48Å; Q51-E55 VanDerWaalsContact O-CG 3.24Å; Q51-E55 WeakPolarHBondContact O-CG 3.48Å; Q51-E55 PolarHBondContact O-N 3.47Å
52R74.3Confident73Confident152 Ų152112.6 Ų112.657%0.57453%0.525SS*.Hα-helixtrans-62-32.5176.4-74.1-179.6112.3156.22.5112.9E48 E50 K56E48-R52 WeakPolarHBondContact O-CB 3.14Å; E48-R52 VanDerWaalsContact O-CG 3.31Å; E48-R52 WeakPolarHBondContact O-CG 3.2Å; E48-R52 PolarHBondContact O-N 3.28Å; E48-R52 IonicContact OE1-CZ 3.99Å; E48-R52 IonicContact OE1-NH1 3.81Å; E48-R52 PolarHBondContact OE1-NH1 3.14Å; E50-R52 PolarHBondContact O-N 3.3Å; R52-K56 WeakPolarHBondContact O-CB 3.23Å; R52-K56 VanDerWaalsContact O-CG 3.23Å; R52-K56 WeakPolarHBondContact O-CG 3.47Å; R52-K56 PolarHBondContact O-N 3.44Å
53R76.3Confident74.7Confident185 Ų185113.4 Ų113.470%0.69852%0.523SS*.Hα-helixtrans-72.8-45.8173.1-69.2177.7-174.4-109.54.3111A49 E50 Q51 K56 H57A49-R53 WeakPolarHBondContact O-CG 3.31Å; A49-R53 PolarHBondContact O-N 3.06Å; E50-R53 WeakPolarHBondContact O-CB 3.27Å; E50-R53 PolarHBondContact O-N 2.89Å; E50-R53 VanDerWaalsContact O-N 3.12Å; Q51-R53 VanDerWaalsContact C-N 3.26Å; Q51-R53 PolarHBondContact O-N 3.31Å; R53-K56 PolarHBondContact O-N 3.12Å; R53-H57 PolarHBondContact O-CD2 2.86Å; R53-H57 PolarHBondContact O-N 3.4Å
54Q75.9Confident76.4Confident106 Ų106117.4 Ų117.450%0.49553%0.532SS..Hα-helixtrans-65.2-38.1178.6-69.5-178.127.400112.4E50 Q51 H57 R58E50-Q54 WeakPolarHBondContact O-CG 3.47Å; E50-Q54 PolarHBondContact O-N 3.48Å; Q51-Q54 CarbonylContact O-C 3.57Å; Q51-Q54 PolarHBondContact O-N 3.07Å; Q51-Q54 VanDerWaalsContact O-N 3.14Å; Q54-H57 PolarHBondContact O-N 3.07Å; Q54-R58 WeakPolarHBondContact O-CB 3.36Å; Q54-R58 PolarHBondContact O-N 3.12Å
55E78.1Confident78Confident110 Ų110114.7 Ų114.751%0.51452%0.519SS..Hα-helixtrans-66.6-43.8175.7-76.6176-174.900111.5Q51 H57 R58 K59Q51-E55 VanDerWaalsContact O-CB 3.26Å; Q51-E55 WeakPolarHBondContact O-CB 3.48Å; Q51-E55 VanDerWaalsContact O-CG 3.24Å; Q51-E55 WeakPolarHBondContact O-CG 3.48Å; Q51-E55 PolarHBondContact O-N 3.47Å; E55-H57 VanDerWaalsContact C-N 3.34Å; E55-H57 PolarHBondContact O-N 3.36Å; E55-R58 PolarHBondContact O-N 3.5Å; E55-K59 WeakPolarHBondContact O-CB 3.47Å; E55-K59 PolarHBondContact O-N 3.45Å
56K82.8Confident79.5Confident144 Ų144118.2 Ų118.263%0.62652%0.524SS*.Hα-helixtrans-58-47.9171.8-78.8176.5-178.3-178.30111R52 R53 K59 M60R52-K56 WeakPolarHBondContact O-CB 3.23Å; R52-K56 VanDerWaalsContact O-CG 3.23Å; R52-K56 WeakPolarHBondContact O-CG 3.47Å; R52-K56 PolarHBondContact O-N 3.44Å; R53-K56 PolarHBondContact O-N 3.12Å; K56-K59 PolarHBondContact O-N 3.34Å; K56-M60 HydrophobicContact CB-CE 4.42Å; K56-M60 WeakPolarHBondContact O-CB 3.44Å; K56-M60 WeakPolarHBondContact O-CE 3.24Å; K56-M60 WeakPolarHBondContact O-CG 3.47Å; K56-M60 PolarHBondContact O-N 3.22Å
57H85.9Confident81Confident131 Ų131115.3 Ų115.361%0.60652%0.519SS*.Hα-helixtrans-61.9-43.7176.7-94.9-83.7000112.3R53 Q54 E55 K59 M60 E61R53-H57 PolarHBondContact O-CD2 2.86Å; R53-H57 PolarHBondContact O-N 3.4Å; Q54-H57 PolarHBondContact O-N 3.07Å; E55-H57 VanDerWaalsContact C-N 3.34Å; E55-H57 PolarHBondContact O-N 3.36Å; H57-K59 PolarHBondContact O-N 2.99Å; H57-M60 PolarHBondContact O-N 3.5Å; H57-E61 WeakPolarHBondContact O-CB 3.26Å; H57-E61 PolarHBondContact O-N 3.32Å
58R84.1Confident82.5Confident152 Ų152116.5 Ų116.557%0.57452%0.518SS*.Hα-helixtrans-61.9-44.9178.6-170.8-176.7-52.9-160.13.4111.5Q54 E55 E61 Q62Q54-R58 WeakPolarHBondContact O-CB 3.36Å; Q54-R58 PolarHBondContact O-N 3.12Å; E55-R58 PolarHBondContact O-N 3.5Å; R58-E61 PolarHBondContact O-N 2.81Å; R58-Q62 VanDerWaalsContact O-CG 3.27Å; R58-Q62 WeakPolarHBondContact O-CG 3.17Å; R58-Q62 PolarHBondContact O-N 3.04Å
59K86.3Confident83.8Confident129 Ų129117 Ų11756%0.56152%0.518SS*.Hα-helixtrans-63.7-44.6176.5-174.3178.6177.8-178.70111.5E55 K56 H57 Q62 E63E55-K59 WeakPolarHBondContact O-CB 3.47Å; E55-K59 PolarHBondContact O-N 3.45Å; K56-K59 PolarHBondContact O-N 3.34Å; H57-K59 PolarHBondContact O-N 2.99Å; K59-Q62 WeakPolarHBondContact O-CB 3.47Å; K59-Q62 PolarHBondContact O-N 3.49Å; K59-E63 WeakPolarHBondContact CE-OE1 3.26Å; K59-E63 PolarHBondContact O-N 3.28Å
60M86.3Confident84.9Confident108 Ų108118.5 Ų118.553%0.53252%0.516SS..Hα-helixtrans-65.8-38.3177.9-73.1-172.9-67.600112.5K56 H57 Q62 E63 R64K56-M60 HydrophobicContact CB-CE 4.42Å; K56-M60 WeakPolarHBondContact O-CB 3.44Å; K56-M60 WeakPolarHBondContact O-CE 3.24Å; K56-M60 WeakPolarHBondContact O-CG 3.47Å; K56-M60 PolarHBondContact O-N 3.22Å; H57-M60 PolarHBondContact O-N 3.5Å; M60-Q62 VanDerWaalsContact C-N 3.34Å; M60-E63 PolarHBondContact O-N 3.12Å; M60-R64 VanDerWaalsContact O-CB 3.31Å; M60-R64 WeakPolarHBondContact O-CB 3.31Å; M60-R64 PolarHBondContact O-N 2.8Å
61E87.4Confident86.2Confident96 Ų96118.7 Ų118.745%0.44952%0.519SS..Hα-helixtrans-70.5-31.6176.4-163.561.5-131.200111.7H57 R58 R64 E65H57-E61 WeakPolarHBondContact O-CB 3.26Å; H57-E61 PolarHBondContact O-N 3.32Å; R58-E61 PolarHBondContact O-N 2.81Å; E61-R64 WeakPolarHBondContact O-CB 3.4Å; E61-R64 PolarHBondContact O-N 3.01Å; E61-R64 WeakPolarHBondContact OE1-CD 3.47Å; E61-E65 WeakPolarHBondContact O-CB 3.49Å; E61-E65 PolarHBondContact O-N 3.45Å
62Q89.3Confident87.5Confident126 Ų126117.2 Ų117.259%0.58951%0.509SS*.Hα-helixtrans-64.6-46.6171.2-76.4173.9-800112.2R58 K59 M60 R64 E65 K66R58-Q62 VanDerWaalsContact O-CG 3.27Å; R58-Q62 WeakPolarHBondContact O-CG 3.17Å; R58-Q62 PolarHBondContact O-N 3.04Å; K59-Q62 WeakPolarHBondContact O-CB 3.47Å; K59-Q62 PolarHBondContact O-N 3.49Å; M60-Q62 VanDerWaalsContact C-N 3.34Å; Q62-R64 VanDerWaalsContact C-N 3.25Å; Q62-R64 PolarHBondContact O-N 3.06Å; Q62-E65 PolarHBondContact O-N 2.57Å; Q62-K66 WeakPolarHBondContact O-CB 3.45Å; Q62-K66 PolarHBondContact O-N 2.9Å
63E91.3Very high88.5Confident107 Ų107114.9 Ų114.950%0.551%0.505SS..Hα-helixtrans-61.5-38.5174.4-71.9174.3-167.300110.9K59 M60 K66 M67K59-E63 WeakPolarHBondContact CE-OE1 3.26Å; K59-E63 PolarHBondContact O-N 3.28Å; M60-E63 PolarHBondContact O-N 3.12Å; E63-K66 PolarHBondContact O-N 2.91Å; E63-M67 WeakPolarHBondContact O-CG 3.44Å; E63-M67 PolarHBondContact O-N 3.47Å
64R92Very high89.4Confident141 Ų141113.2 Ų113.253%0.53250%0.503SS..Hα-helixtrans-64.2-46.8175.4-168.9177.1-172.6151.32.7112.2M60 E61 Q62 K66 M67 R68M60-R64 VanDerWaalsContact O-CB 3.31Å; M60-R64 WeakPolarHBondContact O-CB 3.31Å; M60-R64 PolarHBondContact O-N 2.8Å; E61-R64 WeakPolarHBondContact O-CB 3.4Å; E61-R64 PolarHBondContact O-N 3.01Å; E61-R64 WeakPolarHBondContact OE1-CD 3.47Å; Q62-R64 VanDerWaalsContact C-N 3.25Å; Q62-R64 PolarHBondContact O-N 3.06Å; R64-K66 VanDerWaalsContact C-N 3.34Å; R64-M67 PolarHBondContact O-N 2.75Å; R64-R68 VanDerWaalsContact NE-NH2 3.11Å; R64-R68 VanDerWaalsContact O-CG 3.24Å; R64-R68 WeakPolarHBondContact O-CG 3.17Å; R64-R68 PolarHBondContact O-N 2.84Å
65E90.5Very high90.3Very high75 Ų75115 Ų11535%0.3551%0.506SS..Hα-helixtrans-69.7-32.4177.9-169.860.7-151.900111.7E61 Q62 R68 K69 R72E61-E65 WeakPolarHBondContact O-CB 3.49Å; E61-E65 PolarHBondContact O-N 3.45Å; Q62-E65 PolarHBondContact O-N 2.57Å; E65-R68 WeakPolarHBondContact O-CB 3.37Å; E65-R68 PolarHBondContact O-N 3.08Å; E65-R68 WeakPolarHBondContact OE2-CD 3.23Å; E65-R68 IonicContact OE2-NE 2.67Å; E65-K69 WeakPolarHBondContact O-CB 3.41Å; E65-K69 PolarHBondContact O-N 3.36Å; E65-R72 IonicContact OE1-NH1 2.69Å
66K93.7Very high91Very high130 Ų130116.9 Ų116.957%0.56552%0.519SS*.Hα-helixtrans-59.9-51.1170.8-174.3176.2-173.9-80.20110.9Q62 E63 R64 R68 K69 E70Q62-K66 WeakPolarHBondContact O-CB 3.45Å; Q62-K66 PolarHBondContact O-N 2.9Å; E63-K66 PolarHBondContact O-N 2.91Å; R64-K66 VanDerWaalsContact C-N 3.34Å; K66-R68 VanDerWaalsContact C-N 3.32Å; K66-R68 PolarHBondContact O-N 3.44Å; K66-K69 PolarHBondContact O-N 2.96Å; K66-K69 VanDerWaalsContact O-N 3.15Å; K66-E70 IonicContact NZ-OE1 3.64Å; K66-E70 PolarHBondContact NZ-OE1 3.01Å; K66-E70 WeakPolarHBondContact O-CG 3.47Å; K66-E70 PolarHBondContact O-N 2.92Å
67M93.5Very high91.3Very high108 Ų108114.4 Ų114.453%0.53251%0.512SS..Hα-helixtrans-59.5-41.6174.5-72.5-71.3-64.100111.9E63 R64 K69 E70 I71E63-M67 WeakPolarHBondContact O-CG 3.44Å; E63-M67 PolarHBondContact O-N 3.47Å; R64-M67 PolarHBondContact O-N 2.75Å; M67-K69 VanDerWaalsContact C-N 3.33Å; M67-K69 PolarHBondContact O-N 3.05Å; M67-E70 PolarHBondContact O-N 2.87Å; M67-I71 VanDerWaalsContact O-CG1 3.25Å; M67-I71 WeakPolarHBondContact O-CG1 3.49Å; M67-I71 PolarHBondContact O-N 3.48Å
68R91.8Very high91.4Very high112 Ų112116.2 Ų116.242%0.42352%0.521SS..Hα-helixtrans-61.2-42.1175.1-72.3170.2-174.5-82.511.1111.5R64 E65 K66 R72R64-R68 VanDerWaalsContact NE-NH2 3.11Å; R64-R68 VanDerWaalsContact O-CG 3.24Å; R64-R68 WeakPolarHBondContact O-CG 3.17Å; R64-R68 PolarHBondContact O-N 2.84Å; E65-R68 WeakPolarHBondContact O-CB 3.37Å; E65-R68 PolarHBondContact O-N 3.08Å; E65-R68 WeakPolarHBondContact OE2-CD 3.23Å; E65-R68 IonicContact OE2-NE 2.67Å; K66-R68 VanDerWaalsContact C-N 3.32Å; K66-R68 PolarHBondContact O-N 3.44Å; R68-R72 VanDerWaalsContact O-CB 3.26Å; R68-R72 WeakPolarHBondContact O-CB 3.24Å; R68-R72 PolarHBondContact O-N 3.02Å
69K94.1Very high91.5Very high113 Ų113114.8 Ų114.849%0.49152%0.519SS..Hα-helixtrans-68-42.9177.7-164.5-176.9-172.2-99.50111.6E65 K66 M67 I71 R72 E73E65-K69 WeakPolarHBondContact O-CB 3.41Å; E65-K69 PolarHBondContact O-N 3.36Å; K66-K69 PolarHBondContact O-N 2.96Å; K66-K69 VanDerWaalsContact O-N 3.15Å; M67-K69 VanDerWaalsContact C-N 3.33Å; M67-K69 PolarHBondContact O-N 3.05Å; K69-I71 PolarHBondContact O-N 3.48Å; K69-R72 WeakPolarHBondContact O-CA 3.36Å; K69-R72 VanDerWaalsContact O-CB 3.3Å; K69-R72 WeakPolarHBondContact O-CB 3.46Å; K69-R72 PolarHBondContact O-N 2.71Å; K69-R72 VanDerWaalsContact O-N 3.11Å; K69-E73 VanDerWaalsContact CE-OE1 3.31Å; K69-E73 WeakPolarHBondContact CE-OE1 3.44Å; K69-E73 WeakPolarHBondContact CG-OE1 3.3Å; K69-E73 IonicContact NZ-OE1 2.59Å; K69-E73 PolarHBondContact NZ-OE1 2.86Å; K69-E73 WeakPolarHBondContact O-CB 3.42Å; K69-E73 WeakPolarHBondContact O-CG 3.45Å; K69-E73 PolarHBondContact O-N 3.26Å
70E94.9Very high91.3Very high82 Ų82117.7 Ų117.738%0.38353%0.531SS..Hα-helixtrans-61.3-42.9175.8-73.6173.2-169.700111.6K66 M67 R72 K74K66-E70 IonicContact NZ-OE1 3.64Å; K66-E70 PolarHBondContact NZ-OE1 3.01Å; K66-E70 WeakPolarHBondContact O-CG 3.47Å; K66-E70 PolarHBondContact O-N 2.92Å; M67-E70 PolarHBondContact O-N 2.87Å; E70-R72 VanDerWaalsContact C-N 3.32Å; E70-K74 WeakPolarHBondContact O-CB 3.38Å; E70-K74 PolarHBondContact O-N 2.95Å
71I95.1Very high90.6Very high88 Ų88119.1 Ų119.145%0.45154%0.537SS..Hα-helixtrans-63.4-42.2173.6-67.4166.6000110.3M67 K69 K74 Y75M67-I71 VanDerWaalsContact O-CG1 3.25Å; M67-I71 WeakPolarHBondContact O-CG1 3.49Å; M67-I71 PolarHBondContact O-N 3.48Å; K69-I71 PolarHBondContact O-N 3.48Å; I71-K74 PolarHBondContact O-N 3.31Å; I71-Y75 HydrophobicContact CG2-CD2 4.14Å; I71-Y75 HydrophobicContact CG2-CE2 4.44Å; I71-Y75 WeakPolarHBondContact O-CD2 3.43Å; I71-Y75 PolarHBondContact O-N 3.44Å
72R94Very high89.5Confident66 Ų66119.3 Ų119.325%0.24956%0.555CS.*Hα-helixtrans-59.8-48.9179.3-173.2178.3-81.5109.4-3.3111.6E65 R68 K69 E70 Y75 N76 I77 K79E65-R72 IonicContact OE1-NH1 2.69Å; R68-R72 VanDerWaalsContact O-CB 3.26Å; R68-R72 WeakPolarHBondContact O-CB 3.24Å; R68-R72 PolarHBondContact O-N 3.02Å; K69-R72 WeakPolarHBondContact O-CA 3.36Å; K69-R72 VanDerWaalsContact O-CB 3.3Å; K69-R72 WeakPolarHBondContact O-CB 3.46Å; K69-R72 PolarHBondContact O-N 2.71Å; K69-R72 VanDerWaalsContact O-N 3.11Å; E70-R72 VanDerWaalsContact C-N 3.32Å; R72-Y75 PolarHBondContact O-N 3.49Å; R72-N76 WeakPolarHBondContact O-CA 3.18Å; R72-N76 PolarHBondContact O-N 3.09Å; R72-I77 VanDerWaalsContact CD-O 3.25Å; R72-I77 WeakPolarHBondContact CD-O 3.14Å; R72-I77 HydrophobicContact CG-CB 4.19Å; R72-I77 WeakPolarHBondContact CG-O 3.47Å; R72-I77 PolarHBondContact O-N 2.99Å; R72-K79 VanDerWaalsContact NE-CA 3.34Å
73E94.2Very high88.2Confident104 Ų104119.8 Ų119.849%0.48656%0.561SS.*Hα-helixtrans-67.5-40.8178.5-70.4171.5-173.500111.5K69 Y75 N76K69-E73 VanDerWaalsContact CE-OE1 3.31Å; K69-E73 WeakPolarHBondContact CE-OE1 3.44Å; K69-E73 WeakPolarHBondContact CG-OE1 3.3Å; K69-E73 IonicContact NZ-OE1 2.59Å; K69-E73 PolarHBondContact NZ-OE1 2.86Å; K69-E73 WeakPolarHBondContact O-CB 3.42Å; K69-E73 WeakPolarHBondContact O-CG 3.45Å; K69-E73 PolarHBondContact O-N 3.26Å; E73-Y75 PolarHBondContact O-N 2.88Å; E73-Y75 VanDerWaalsContact O-N 3.16Å; E73-N76 PolarHBondContact O-N 3.43Å; E73-N76 PolarHBondContact O-OD1 2.87Å
74K96.6Very high86.7Confident150 Ų150120.4 Ų120.465%0.65257%0.574SS**Hα-helixtrans-57.5-32178.5-177.8176.9-179.9-174.40113.4E70 I71E70-K74 WeakPolarHBondContact O-CB 3.38Å; E70-K74 PolarHBondContact O-N 2.95Å; I71-K74 PolarHBondContact O-N 3.31Å
75Y94.8Very high85Confident143 Ų143120.3 Ų120.356%0.56158%0.584SS**THydrogen-bonded Turntrans-115.910.2-177-64-73.2000113.7I71 R72 E73 I77I71-Y75 HydrophobicContact CG2-CD2 4.14Å; I71-Y75 HydrophobicContact CG2-CE2 4.44Å; I71-Y75 WeakPolarHBondContact O-CD2 3.43Å; I71-Y75 PolarHBondContact O-N 3.44Å; R72-Y75 PolarHBondContact O-N 3.49Å; E73-Y75 PolarHBondContact O-N 2.88Å; E73-Y75 VanDerWaalsContact O-N 3.16Å; Y75-I77 PolarHBondContact O-N 3.38Å; Y75-I77 VanDerWaalsContact O-N 3.15Å
76N91.6Very high83.4Confident149 Ų149121.3 Ų121.380%0.79760%0.597SS**THydrogen-bonded Turntrans49.138.2-176-61.8-41.2000113.4R72 E73R72-N76 WeakPolarHBondContact O-CA 3.18Å; R72-N76 PolarHBondContact O-N 3.09Å; E73-N76 PolarHBondContact O-N 3.43Å; E73-N76 PolarHBondContact O-OD1 2.87Å
77I90Very high81.7Confident93 Ų93121.8 Ų121.848%0.47761%0.61SS.*  trans-78.9125.2178.7-63.7168.2000107.2R72 Y75 K79R72-I77 VanDerWaalsContact CD-O 3.25Å; R72-I77 WeakPolarHBondContact CD-O 3.14Å; R72-I77 HydrophobicContact CG-CB 4.19Å; R72-I77 WeakPolarHBondContact CG-O 3.47Å; R72-I77 PolarHBondContact O-N 2.99Å; Y75-I77 PolarHBondContact O-N 3.38Å; Y75-I77 VanDerWaalsContact O-N 3.15Å; I77-K79 PolarHBondContact O-N 3.01Å
78E87.5Confident80.1Confident169 Ų169123.7 Ų123.779%0.7962%0.62SS**  trans-70.3137.1174.5-67.2-178.9172.300110K80E78-K80 PolarHBondContact O-N 3.07Å
79K86.4Confident78.5Confident121 Ų121124.7 Ų124.753%0.52663%0.634SS.*  trans-66105.8166.6-175.5173178-177.30106.1R72 I77 E81R72-K79 VanDerWaalsContact NE-CA 3.34Å; I77-K79 PolarHBondContact O-N 3.01Å; K79-E81 PolarHBondContact O-N 3.33Å
80K81.1Confident76.9Confident190 Ų190121.3 Ų121.383%0.82662%0.624SS**  trans-61.2108168.6-64.2-176.3-179.7-176.50106.6E78E78-K80 PolarHBondContact O-N 3.07Å
81E72.4Confident75.5Confident139 Ų139122.6 Ų122.665%0.6564%0.642SS**  trans-49.8142.7164.5-73.1-60.1142.600107.6K79 L83K79-E81 PolarHBondContact O-N 3.33Å; E81-L83 PolarHBondContact O-N 2.86Å
82A65.3Low74Confident100 Ų100122.1 Ų122.183%0.82666%0.659SS**  trans-70.660.1175.800000109.5
83L60.5Low72.4Confident135 Ų135127 Ų12771%0.70768%0.678SS**  trans-54135.9152.8-68.1170.9000105.6E81 L85E81-L83 PolarHBondContact O-N 2.86Å; L83-L85 PolarHBondContact O-N 2.81Å
84P60.8Low71Confident121 Ų121130.7 Ų130.779%0.78670%0.699SS**  trans-50.6111.1172.6-19.829.4000106.2
85L57.1Low69.2Low139 Ų139127.1 Ų127.173%0.72870%0.704SS**  trans-54.7131.5173.5-76.2167.2000104.9L83 T87L83-L85 PolarHBondContact O-N 2.81Å; L85-T87 PolarHBondContact O-N 3.01Å
86P55.5Low67.4Low96 Ų96124.2 Ų124.262%0.62370%0.701SS**  trans-50.5128.9173.122.5-31.3000105.3M88P86-M88 PolarHBondContact O-N 3.43Å
87T59.3Low65.3Low139 Ų139119.5 Ų119.585%0.85368%0.68SS**  trans-54.581.9-176.249.10000108.2L85 D89L85-T87 PolarHBondContact O-N 3.01Å; T87-D89 PolarHBondContact O-N 3.01Å
88M58Low63.6Low148 Ų148121.3 Ų121.373%0.72969%0.686SS**  trans-63.6114.2174.7-85.8-81.6113.200102.7P86 S90P86-M88 PolarHBondContact O-N 3.43Å; M88-S90 VanDerWaalsContact C-N 3.27Å; M88-S90 WeakPolarHBondContact O-CB 3.44Å; M88-S90 PolarHBondContact O-N 2.85Å; M88-S90 PolarHBondContact O-OG 2.98Å
89D58.7Low62Low134 Ų134121.5 Ų121.572%0.71769%0.687SS**  trans-44.696.3-179175.311.4000108.9T87 S91T87-D89 PolarHBondContact O-N 3.01Å; D89-S91 VanDerWaalsContact C-N 3.34Å; D89-S91 WeakPolarHBondContact OD1-CB 3.16Å; D89-S91 PolarHBondContact OD1-N 3.06Å; D89-S91 PolarHBondContact OD1-OG 3.41Å
90S61.1Low60.3Low42 Ų42120.2 Ų120.229%0.29468%0.681SS.*  trans-111.229.1178.134.90000108.1M88 G92 R93 S97M88-S90 VanDerWaalsContact C-N 3.27Å; M88-S90 WeakPolarHBondContact O-CB 3.44Å; M88-S90 PolarHBondContact O-N 2.85Å; M88-S90 PolarHBondContact O-OG 2.98Å; S90-G92 PolarHBondContact O-N 3.1Å; S90-R93 PolarHBondContact O-N 2.63Å; S90-S97 WeakPolarHBondContact O-CB 3.46Å; S90-S97 PolarHBondContact O-OG 2.62Å; S90-S97 VanDerWaalsContact O-OG 3.1Å; S90-S97 WeakPolarHBondContact OG-CB 3.08Å
91S64.6Low59.2Low109 Ų109115.5 Ų115.576%0.76267%0.669SS**THydrogen-bonded Turntrans-56.6-15.3172.8-55.50000112.6D89D89-S91 VanDerWaalsContact C-N 3.34Å; D89-S91 WeakPolarHBondContact OD1-CB 3.16Å; D89-S91 PolarHBondContact OD1-N 3.06Å; D89-S91 PolarHBondContact OD1-OG 3.41Å
92G63.9Low58.7Low78 Ų78113.1 Ų113.180%0.80467%0.673SS**THydrogen-bonded Turntrans-96-4.2172.500000116.1S90S90-G92 PolarHBondContact O-N 3.1Å
93R62.1Low58.5Low169 Ų169115.2 Ų115.264%0.63867%0.666SS**  trans-100101.4-175.7-126.4-173.1-163.4-169.95.5110.3S90 G95 T96 S97S90-R93 PolarHBondContact O-N 2.63Å; R93-G95 PolarHBondContact O-N 2.59Å; R93-T96 WeakPolarHBondContact CD-OG1 3.32Å; R93-S97 PolarHBondContact O-OG 2.84Å
94I63.4Low58.3Low181 Ų181111.4 Ų111.493%0.92864%0.644SS**THydrogen-bonded Turntrans-60.2109.8170.3-58175.2000107.7
95G59.1Low58.2Low74 Ų74110.7 Ų110.776%0.76363%0.633SS**THydrogen-bonded Turntrans107.22.3165.100000118.6R93R93-G95 PolarHBondContact O-N 2.59Å
96T56.3Low58.5Low82 Ų82106.5 Ų106.550%0.50362%0.619SS.*THydrogen-bonded Turntrans-1390.5175.6740000116.6R93R93-T96 WeakPolarHBondContact CD-OG1 3.32Å
97S49.4Very low58.8Low50 Ų50108 Ų10835%0.3561%0.612SS.*SBendtrans-90.4-13.3-172.246.40000115S90 R93S90-S97 WeakPolarHBondContact O-CB 3.46Å; S90-S97 PolarHBondContact O-OG 2.62Å; S90-S97 VanDerWaalsContact O-OG 3.1Å; S90-S97 WeakPolarHBondContact OG-CB 3.08Å; R93-S97 PolarHBondContact O-OG 2.84Å
98Q53.7Low58.6Low131 Ų131104.8 Ų104.861%0.61259%0.587SS**  trans-100.794.9169.1-63.8-178.7-81.700108K100 E104Q98-K100 PolarHBondContact O-N 2.56Å; Q98-E104 PolarHBondContact NE2-OE1 2.94Å
99H53.2Low58.8Low173 Ų173100.1 Ų100.180%0.80157%0.572SS**  trans-59.593.8151.5-76.7-85.2000105.9T101H99-T101 PolarHBondContact O-N 3.34Å; H99-T101 VanDerWaalsContact O-N 3.09Å
100K51Low59.1Low94 Ų94100.4 Ų100.441%0.40957%0.569SS.*  trans-52117-179.5-66.6171.7-178.6177.10107.8Q98 E104 L105 E108Q98-K100 PolarHBondContact O-N 2.56Å; K100-E104 HydrophobicContact CB-CB 4.44Å; K100-L105 HydrophobicContact CB-CD1 4.46Å; K100-L105 HydrophobicContact CD-CD1 4.37Å; K100-E108 WeakPolarHBondContact CD-OE2 3.34Å; K100-E108 WeakPolarHBondContact CE-OE1 3.09Å; K100-E108 WeakPolarHBondContact CE-OE2 3.16Å; K100-E108 IonicContact NZ-OE1 3.95Å; K100-E108 PolarHBondContact NZ-OE1 3.2Å; K100-E108 IonicContact NZ-OE2 2.62Å; K100-E108 PolarHBondContact NZ-OE2 3.21Å
101T57.5Low59.1Low91 Ų91103.8 Ų103.856%0.55858%0.581SS**  trans-63.1151.1169.652.40000107.7H99 E103 E104 L105H99-T101 PolarHBondContact O-N 3.34Å; H99-T101 VanDerWaalsContact O-N 3.09Å; T101-E103 PolarHBondContact O-N 3.15Å; T101-E104 PolarHBondContact O-N 3.38Å; T101-L105 PolarHBondContact O-N 3.26Å; T101-L105 VanDerWaalsContact O-N 3.15Å
102A61.7Low59.1Low90 Ų90103.6 Ų103.674%0.74457%0.571SS**Hα-helixtrans-53.8-25.2-175.300000113.6A106A102-A106 PolarHBondContact O-N 2.99Å
103E62Low59.5Low144 Ų144105 Ų10567%0.67356%0.56SS**Hα-helixtrans-73.1-36.5174.4-170179.7170.500113.4T101 L105 A106 R107T101-E103 PolarHBondContact O-N 3.15Å; E103-L105 VanDerWaalsContact C-N 3.35Å; E103-A106 PolarHBondContact O-N 3.21Å; E103-R107 PolarHBondContact O-N 3.32Å
104E55.5Low60.2Low54 Ų54100.6 Ų100.625%0.25256%0.555SS.*Hα-helixtrans-73.9-30.3175.9-157.4174.6-156.200111.2Q98 K100 T101 A106 R107 E108Q98-E104 PolarHBondContact NE2-OE1 2.94Å; K100-E104 HydrophobicContact CB-CB 4.44Å; T101-E104 PolarHBondContact O-N 3.38Å; E104-A106 VanDerWaalsContact C-N 3.27Å; E104-A106 PolarHBondContact O-N 2.85Å; E104-R107 PolarHBondContact O-N 3.23Å; E104-E108 PolarHBondContact O-N 2.8Å
105L59.9Low60.8Low106 Ų10696.1 Ų96.156%0.55553%0.532SS*.Hα-helixtrans-62.2-34.7170.9-154.585.6000112K100 T101 E103 A109K100-L105 HydrophobicContact CB-CD1 4.46Å; K100-L105 HydrophobicContact CD-CD1 4.37Å; T101-L105 PolarHBondContact O-N 3.26Å; T101-L105 VanDerWaalsContact O-N 3.15Å; E103-L105 VanDerWaalsContact C-N 3.35Å; L105-A109 PolarHBondContact O-N 3.25Å
106A63.3Low61.7Low52 Ų5297.3 Ų97.343%0.4352%0.521SS..Hα-helixtrans-71.9-37.2174.700000111.8A102 E103 E104 A109 E110A102-A106 PolarHBondContact O-N 2.99Å; E103-A106 PolarHBondContact O-N 3.21Å; E104-A106 VanDerWaalsContact C-N 3.27Å; E104-A106 PolarHBondContact O-N 2.85Å; A106-A109 WeakPolarHBondContact O-CB 3.37Å; A106-A109 PolarHBondContact O-N 3.42Å; A106-E110 PolarHBondContact O-N 3.07Å
107R61.6Low62.8Low128 Ų12897.3 Ų97.348%0.48352%0.524SS..Hα-helixtrans-66.6-38.6176.8-165.4-178.6-65132.73.2112.4E103 E104 A109 E110 E111E103-R107 PolarHBondContact O-N 3.32Å; E104-R107 PolarHBondContact O-N 3.23Å; R107-A109 VanDerWaalsContact C-N 3.33Å; R107-E110 PolarHBondContact O-N 3.25Å; R107-E111 PolarHBondContact O-N 3.45Å
108E54.3Low64.3Low71 Ų71101.9 Ų101.933%0.33254%0.54SS..Hα-helixtrans-67.1-33.5171.8-81.3-174167.400112.7K100 E104 E110 E111 D112K100-E108 WeakPolarHBondContact CD-OE2 3.34Å; K100-E108 WeakPolarHBondContact CE-OE1 3.09Å; K100-E108 WeakPolarHBondContact CE-OE2 3.16Å; K100-E108 IonicContact NZ-OE1 3.95Å; K100-E108 PolarHBondContact NZ-OE1 3.2Å; K100-E108 IonicContact NZ-OE2 2.62Å; K100-E108 PolarHBondContact NZ-OE2 3.21Å; E104-E108 PolarHBondContact O-N 2.8Å; E108-E110 VanDerWaalsContact C-N 3.29Å; E108-E110 PolarHBondContact O-N 3.03Å; E108-E111 PolarHBondContact O-N 2.99Å; E108-D112 WeakPolarHBondContact O-CB 3.4Å; E108-D112 PolarHBondContact O-N 3.27Å
109A61.9Low65.6Low50 Ų50102.7 Ų102.741%0.41354%0.541SS..Hα-helixtrans-62.7-37.7172.500000111.7L105 A106 R107 D113L105-A109 PolarHBondContact O-N 3.25Å; A106-A109 WeakPolarHBondContact O-CB 3.37Å; A106-A109 PolarHBondContact O-N 3.42Å; R107-A109 VanDerWaalsContact C-N 3.33Å; A109-D113 PolarHBondContact O-N 3.29Å
110E65.4Low67Low139 Ų13998.7 Ų98.765%0.6553%0.526SS*.Hα-helixtrans-68.4-37.3173.4-68.8177-171.500112.6A106 R107 E108 D113 S114A106-E110 PolarHBondContact O-N 3.07Å; R107-E110 PolarHBondContact O-N 3.25Å; E108-E110 VanDerWaalsContact C-N 3.29Å; E108-E110 PolarHBondContact O-N 3.03Å; E110-D113 PolarHBondContact O-N 2.91Å; E110-S114 PolarHBondContact O-N 3.44Å
111E62.2Low68.5Low114 Ų11495.6 Ų95.653%0.53352%0.521SS..Hα-helixtrans-67.8-40.5174.1-72.6179.1-167.400111.8R107 E108 D113 S114 I115R107-E111 PolarHBondContact O-N 3.45Å; E108-E111 PolarHBondContact O-N 2.99Å; E111-D113 VanDerWaalsContact C-N 3.34Å; E111-D113 PolarHBondContact O-N 3.22Å; E111-S114 WeakPolarHBondContact O-CB 3.43Å; E111-S114 PolarHBondContact O-N 3.43Å; E111-I115 WeakPolarHBondContact O-CG1 3.23Å; E111-I115 PolarHBondContact O-N 2.85Å
112D63.5Low69.7Low104 Ų10498.6 Ų98.656%0.55653%0.527SS*.Hα-helixtrans-62.8-39.6174.2-82.5-14.1000111.1E108 S114 I115 L116E108-D112 WeakPolarHBondContact O-CB 3.4Å; E108-D112 PolarHBondContact O-N 3.27Å; D112-S114 VanDerWaalsContact C-N 3.34Å; D112-S114 PolarHBondContact O-N 3.38Å; D112-I115 PolarHBondContact O-N 3.41Å; D112-L116 VanDerWaalsContact O-CB 3.23Å; D112-L116 WeakPolarHBondContact O-CB 3.31Å; D112-L116 PolarHBondContact O-N 3.5Å
113D72.4Confident70.7Confident107 Ų107100.1 Ų100.157%0.57252%0.517SS*.Hα-helixtrans-64.4-37.3173.4-82.3-16.5000112.2A109 E110 E111 L116 S117A109-D113 PolarHBondContact O-N 3.29Å; E110-D113 PolarHBondContact O-N 2.91Å; E111-D113 VanDerWaalsContact C-N 3.34Å; E111-D113 PolarHBondContact O-N 3.22Å; D113-L116 PolarHBondContact O-N 3.19Å; D113-S117 VanDerWaalsContact O-CB 3.31Å; D113-S117 WeakPolarHBondContact O-CB 3.36Å; D113-S117 PolarHBondContact O-N 3.06Å
114S76.3Confident71.9Confident78 Ų7897.6 Ų97.655%0.54551%0.508SS..Hα-helixtrans-64.9-44.5174-175.60000111.8E110 E111 D112 S117 Q118E110-S114 PolarHBondContact O-N 3.44Å; E111-S114 WeakPolarHBondContact O-CB 3.43Å; E111-S114 PolarHBondContact O-N 3.43Å; D112-S114 VanDerWaalsContact C-N 3.34Å; D112-S114 PolarHBondContact O-N 3.38Å; S114-S117 PolarHBondContact O-N 3.5Å; S114-Q118 PolarHBondContact O-N 3.46Å
115I77.3Confident73.4Confident87 Ų87102.2 Ų102.245%0.44653%0.527SS..Hα-helixtrans-62.8-44.7174.3-67.4169.5000110E111 D112 S117 Q118 F119E111-I115 WeakPolarHBondContact O-CG1 3.23Å; E111-I115 PolarHBondContact O-N 2.85Å; D112-I115 PolarHBondContact O-N 3.41Å; I115-S117 VanDerWaalsContact C-N 3.34Å; I115-S117 PolarHBondContact O-N 2.79Å; I115-Q118 PolarHBondContact O-N 3.34Å; I115-F119 HydrophobicContact CG2-CD2 3.86Å; I115-F119 HydrophobicContact CG2-CE2 4Å; I115-F119 WeakPolarHBondContact O-CD2 3.46Å; I115-F119 PolarHBondContact O-N 2.91Å
116L77.2Confident74.5Confident99 Ų9999.2 Ų99.252%0.51852%0.518SS..Hα-helixtrans-61-42.5178.3-171.169.8000111.5D112 D113 F119 N120D112-L116 VanDerWaalsContact O-CB 3.23Å; D112-L116 WeakPolarHBondContact O-CB 3.31Å; D112-L116 PolarHBondContact O-N 3.5Å; D113-L116 PolarHBondContact O-N 3.19Å; L116-F119 WeakPolarHBondContact O-CB 3.36Å; L116-F119 PolarHBondContact O-N 2.99Å; L116-N120 PolarHBondContact O-N 3.29Å; L116-N120 PolarHBondContact O-ND2 3.3Å
117S79.6Confident75.7Confident81 Ų81101.4 Ų101.457%0.56652%0.518SS*.Hα-helixtrans-62.1-44174.6-177.40000112.1D113 S114 I115 F119 N120 G121D113-S117 VanDerWaalsContact O-CB 3.31Å; D113-S117 WeakPolarHBondContact O-CB 3.36Å; D113-S117 PolarHBondContact O-N 3.06Å; S114-S117 PolarHBondContact O-N 3.5Å; I115-S117 VanDerWaalsContact C-N 3.34Å; I115-S117 PolarHBondContact O-N 2.79Å; S117-F119 VanDerWaalsContact C-N 3.33Å; S117-F119 PolarHBondContact O-N 3.34Å; S117-N120 PolarHBondContact O-N 2.93Å; S117-G121 PolarHBondContact O-N 3.05Å
118Q80.5Confident76.8Confident147 Ų14799 Ų9969%0.68752%0.517SS*.Hα-helixtrans-62-40.7175.1-177.4176.6-25.600112.1S114 I115 G121 F122S114-Q118 PolarHBondContact O-N 3.46Å; I115-Q118 PolarHBondContact O-N 3.34Å; Q118-G121 PolarHBondContact O-N 2.97Å; Q118-F122 PolarHBondContact O-N 3.14Å
119F81.2Confident78.2Confident147 Ų14798.4 Ų98.465%0.64552%0.524SS*.Hα-helixtrans-62.7-44.8175-98.8-92.8000112.1I115 L116 S117 G121 F122 F123I115-F119 HydrophobicContact CG2-CD2 3.86Å; I115-F119 HydrophobicContact CG2-CE2 4Å; I115-F119 WeakPolarHBondContact O-CD2 3.46Å; I115-F119 PolarHBondContact O-N 2.91Å; L116-F119 WeakPolarHBondContact O-CB 3.36Å; L116-F119 PolarHBondContact O-N 2.99Å; S117-F119 VanDerWaalsContact C-N 3.33Å; S117-F119 PolarHBondContact O-N 3.34Å; F119-G121 VanDerWaalsContact C-N 3.34Å; F119-G121 PolarHBondContact O-N 3.19Å; F119-F122 PolarHBondContact O-N 3.46Å; F119-F123 PolarHBondContact O-N 3.39Å
120N83.1Confident79.4Confident89 Ų89100.8 Ų100.848%0.47653%0.534SS..Hα-helixtrans-60.2-44.2175.7-72.6-22.1000111.4L116 S117 F122 F123 D124L116-N120 PolarHBondContact O-N 3.29Å; L116-N120 PolarHBondContact O-ND2 3.3Å; S117-N120 PolarHBondContact O-N 2.93Å; N120-F122 VanDerWaalsContact C-N 3.29Å; N120-F122 PolarHBondContact O-N 3.44Å; N120-F123 WeakPolarHBondContact O-CB 3.5Å; N120-F123 PolarHBondContact O-N 2.95Å; N120-F123 VanDerWaalsContact O-N 3.14Å; N120-D124 PolarHBondContact O-N 2.98Å
121G81.7Confident80.3Confident30 Ų3097.7 Ų97.731%0.30952%0.524SS..Hα-helixtrans-63.6-31.5176.200000114S117 Q118 F119 K125S117-G121 PolarHBondContact O-N 3.05Å; Q118-G121 PolarHBondContact O-N 2.97Å; F119-G121 VanDerWaalsContact C-N 3.34Å; F119-G121 PolarHBondContact O-N 3.19Å; G121-K125 WeakPolarHBondContact O-CD 3.47Å; G121-K125 VanDerWaalsContact O-CG 3.28Å; G121-K125 WeakPolarHBondContact O-CG 3.28Å; G121-K125 PolarHBondContact O-N 3.41Å
122F83.3Confident81.3Confident154 Ų15496.9 Ų96.968%0.67552%0.523SS*.Hα-helixtrans-71.1-39173.5-154.2-90.6000111.5Q118 F119 N120 K125 A126Q118-F122 PolarHBondContact O-N 3.14Å; F119-F122 PolarHBondContact O-N 3.46Å; N120-F122 VanDerWaalsContact C-N 3.29Å; N120-F122 PolarHBondContact O-N 3.44Å; F122-K125 PolarHBondContact O-N 2.71Å; F122-A126 WeakPolarHBondContact O-CB 3.48Å; F122-A126 PolarHBondContact O-N 2.91Å
123F83.7Confident82.2Confident121 Ų12198.9 Ų98.953%0.53153%0.527SS..Hα-helixtrans-66.8-41178.6-168-121.3000112.4F119 N120 A126 K127F119-F123 PolarHBondContact O-N 3.39Å; N120-F123 WeakPolarHBondContact O-CB 3.5Å; N120-F123 PolarHBondContact O-N 2.95Å; N120-F123 VanDerWaalsContact O-N 3.14Å; F123-A126 PolarHBondContact O-N 3.42Å; F123-K127 HydrophobicContact CD1-CD 4.21Å; F123-K127 HydrophobicContact CE1-CD 4.16Å; F123-K127 WeakPolarHBondContact O-CG 3.32Å; F123-K127 PolarHBondContact O-N 3.01Å
124D87.2Confident82.8Confident91 Ų9195.5 Ų95.549%0.48751%0.514SS..Hα-helixtrans-65.9-41175.8-72-27.7000111.9N120 A126 K127 T128N120-D124 PolarHBondContact O-N 2.98Å; D124-A126 VanDerWaalsContact C-N 3.3Å; D124-A126 PolarHBondContact O-N 3.25Å; D124-K127 PolarHBondContact O-N 3.14Å; D124-T128 WeakPolarHBondContact O-CG2 3.41Å; D124-T128 PolarHBondContact O-N 3.44Å; D124-T128 PolarHBondContact O-OG1 2.95Å
125K85.5Confident83Confident151 Ų15195.2 Ų95.266%0.65751%0.507SS*.Hα-helixtrans-61-38.5172.4-72.9171.1-173.7173.90112.5G121 F122 T128 A129G121-K125 WeakPolarHBondContact O-CD 3.47Å; G121-K125 VanDerWaalsContact O-CG 3.28Å; G121-K125 WeakPolarHBondContact O-CG 3.28Å; G121-K125 PolarHBondContact O-N 3.41Å; F122-K125 PolarHBondContact O-N 2.71Å; K125-T128 WeakPolarHBondContact CA-OG1 3.49Å; K125-T128 PolarHBondContact O-OG1 2.91Å; K125-A129 VanDerWaalsContact O-CB 3.25Å; K125-A129 WeakPolarHBondContact O-CB 3.28Å; K125-A129 PolarHBondContact O-N 3.28Å
126A83.2Confident83.1Confident44 Ų4494.4 Ų94.436%0.36451%0.506SS..Hα-helixtrans-67.7-43.5176.800000111.3F122 F123 D124 A129 V130F122-A126 WeakPolarHBondContact O-CB 3.48Å; F122-A126 PolarHBondContact O-N 2.91Å; F123-A126 PolarHBondContact O-N 3.42Å; D124-A126 VanDerWaalsContact C-N 3.3Å; D124-A126 PolarHBondContact O-N 3.25Å; A126-A129 PolarHBondContact O-N 2.97Å; A126-V130 WeakPolarHBondContact O-CB 3.43Å; A126-V130 VanDerWaalsContact O-CG2 3.28Å; A126-V130 WeakPolarHBondContact O-CG2 3.49Å; A126-V130 PolarHBondContact O-N 2.97Å
127K88.3Confident83.1Confident98 Ų9892.3 Ų92.343%0.42650%0.497SS..Hα-helixtrans-61.4-45.1175.6-77.3175.2174.6165.90112.4F123 D124 V130 T131F123-K127 HydrophobicContact CD1-CD 4.21Å; F123-K127 HydrophobicContact CE1-CD 4.16Å; F123-K127 WeakPolarHBondContact O-CG 3.32Å; F123-K127 PolarHBondContact O-N 3.01Å; D124-K127 PolarHBondContact O-N 3.14Å; K127-V130 PolarHBondContact O-N 3.28Å; K127-T131 VanDerWaalsContact O-CB 3.32Å; K127-T131 WeakPolarHBondContact O-CB 3.22Å; K127-T131 PolarHBondContact O-N 2.85Å; K127-T131 PolarHBondContact O-OG1 2.85Å
128T85.8Confident82.9Confident78 Ų7895.4 Ų95.448%0.47950%0.5SS..Hα-helixtrans-65.1-45.4177.854.20000110.7D124 K125 V130 T131 D132D124-T128 WeakPolarHBondContact O-CG2 3.41Å; D124-T128 PolarHBondContact O-N 3.44Å; D124-T128 PolarHBondContact O-OG1 2.95Å; K125-T128 WeakPolarHBondContact CA-OG1 3.49Å; K125-T128 PolarHBondContact O-OG1 2.91Å; T128-V130 VanDerWaalsContact C-N 3.35Å; T128-V130 PolarHBondContact O-N 3.4Å; T128-T131 PolarHBondContact O-N 3.46Å; T128-T131 VanDerWaalsContact O-N 3.13Å; T128-D132 WeakPolarHBondContact O-CB 3.26Å; T128-D132 PolarHBondContact O-N 3.24Å
129A84.2Confident82.5Confident57 Ų5795.1 Ų95.147%0.47150%0.504SS..Hα-helixtrans-58.7-42.5176.700000113.2K125 A126 F133K125-A129 VanDerWaalsContact O-CB 3.25Å; K125-A129 WeakPolarHBondContact O-CB 3.28Å; K125-A129 PolarHBondContact O-N 3.28Å; A126-A129 PolarHBondContact O-N 2.97Å; A129-F133 VanDerWaalsContact O-CB 3.31Å; A129-F133 WeakPolarHBondContact O-CB 3.38Å; A129-F133 PolarHBondContact O-N 3.21Å
130V85.5Confident82Confident101 Ų10197.4 Ų97.461%0.61251%0.509SS*.Hα-helixtrans-67.5-40.1176.4172.20000111.2A126 K127 T128 F133 A134A126-V130 WeakPolarHBondContact O-CB 3.43Å; A126-V130 VanDerWaalsContact O-CG2 3.28Å; A126-V130 WeakPolarHBondContact O-CG2 3.49Å; A126-V130 PolarHBondContact O-N 2.97Å; K127-V130 PolarHBondContact O-N 3.28Å; T128-V130 VanDerWaalsContact C-N 3.35Å; T128-V130 PolarHBondContact O-N 3.4Å; V130-F133 PolarHBondContact O-N 3.49Å; V130-A134 VanDerWaalsContact O-CB 3.26Å; V130-A134 WeakPolarHBondContact O-CB 3.31Å; V130-A134 PolarHBondContact O-N 2.79Å
131T84.4Confident80.8Confident73 Ų7397.3 Ų97.345%0.44851%0.508SS..Hα-helixtrans-67-42.9178.3-56.20000111.4K127 T128 A134 N135K127-T131 VanDerWaalsContact O-CB 3.32Å; K127-T131 WeakPolarHBondContact O-CB 3.22Å; K127-T131 PolarHBondContact O-N 2.85Å; K127-T131 PolarHBondContact O-OG1 2.85Å; T128-T131 PolarHBondContact O-N 3.46Å; T128-T131 VanDerWaalsContact O-N 3.13Å; T131-A134 PolarHBondContact O-N 3.13Å; T131-N135 WeakPolarHBondContact O-CB 3.39Å; T131-N135 VanDerWaalsContact O-CG 3.24Å; T131-N135 PolarHBondContact O-N 2.93Å; T131-N135 PolarHBondContact O-ND2 3.31Å
132D83.3Confident80Confident97 Ų97101.2 Ų101.252%0.51953%0.528SS..Hα-helixtrans-64.7-42.2176.8-69.4-18.5000111.2T128 N135 T136T128-D132 WeakPolarHBondContact O-CB 3.26Å; T128-D132 PolarHBondContact O-N 3.24Å; D132-N135 PolarHBondContact O-N 3.35Å; D132-T136 WeakPolarHBondContact O-CB 3.25Å; D132-T136 PolarHBondContact O-N 2.84Å; D132-T136 PolarHBondContact O-OG1 2.88Å
133F83.6Confident79Confident146 Ų146102 Ų10264%0.6453%0.532SS*.Hα-helixtrans-62.9-47.3173.1-177.5-102.1000111.4A129 V130 N135 T136 V137A129-F133 VanDerWaalsContact O-CB 3.31Å; A129-F133 WeakPolarHBondContact O-CB 3.38Å; A129-F133 PolarHBondContact O-N 3.21Å; V130-F133 PolarHBondContact O-N 3.49Å; F133-N135 VanDerWaalsContact C-N 3.33Å; F133-N135 PolarHBondContact O-N 3.48Å; F133-T136 PolarHBondContact O-N 2.96Å; F133-V137 HydrophobicContact CD1-CG2 4.1Å; F133-V137 HydrophobicContact CD2-CG2 4.36Å; F133-V137 HydrophobicContact CE1-CG2 3.71Å; F133-V137 HydrophobicContact CE2-CG2 3.99Å; F133-V137 HydrophobicContact CG-CG2 4.42Å; F133-V137 HydrophobicContact CZ-CG2 3.65Å; F133-V137 WeakPolarHBondContact O-CB 3.37Å; F133-V137 VanDerWaalsContact O-CG2 3.29Å; F133-V137 WeakPolarHBondContact O-CG2 3.2Å; F133-V137 PolarHBondContact O-N 3.49Å
134A83.5Confident77.5Confident36 Ų36104.4 Ų104.430%0.29855%0.55SS.*Hα-helixtrans-61.1-40.5178.300000112.1V130 T131 K138V130-A134 VanDerWaalsContact O-CB 3.26Å; V130-A134 WeakPolarHBondContact O-CB 3.31Å; V130-A134 PolarHBondContact O-N 2.79Å; T131-A134 PolarHBondContact O-N 3.13Å; A134-K138 WeakPolarHBondContact O-CB 3.5Å; A134-K138 VanDerWaalsContact O-CG 3.22Å; A134-K138 WeakPolarHBondContact O-CG 3.29Å; A134-K138 PolarHBondContact O-N 2.94Å
135N80.6Confident75.4Confident72 Ų72112.7 Ų112.739%0.38558%0.582SS.*Hα-helixtrans-69.1-39.8176.2-72.3-28.3000112T131 D132 F133 K138 N139T131-N135 WeakPolarHBondContact O-CB 3.39Å; T131-N135 VanDerWaalsContact O-CG 3.24Å; T131-N135 PolarHBondContact O-N 2.93Å; T131-N135 PolarHBondContact O-ND2 3.31Å; D132-N135 PolarHBondContact O-N 3.35Å; F133-N135 VanDerWaalsContact C-N 3.33Å; F133-N135 PolarHBondContact O-N 3.48Å; N135-K138 PolarHBondContact O-N 3.44Å; N135-N139 WeakPolarHBondContact O-CB 3.45Å; N135-N139 VanDerWaalsContact O-CG 3.25Å; N135-N139 PolarHBondContact O-N 2.91Å; N135-N139 PolarHBondContact O-ND2 3.45Å
136T79.2Confident74.9Confident71 Ų71110.8 Ų110.844%0.43658%0.578SS.*Hα-helixtrans-61.8-48.2174.5-56.50000110.3D132 F133 K138 N139 Y140D132-T136 WeakPolarHBondContact O-CB 3.25Å; D132-T136 PolarHBondContact O-N 2.84Å; D132-T136 PolarHBondContact O-OG1 2.88Å; F133-T136 PolarHBondContact O-N 2.96Å; T136-K138 PolarHBondContact O-N 3.38Å; T136-N139 PolarHBondContact O-N 3.42Å; T136-Y140 HydrophobicContact CG2-CD2 3.83Å; T136-Y140 HydrophobicContact CG2-CE2 3.95Å; T136-Y140 WeakPolarHBondContact O-CD2 3.46Å; T136-Y140 PolarHBondContact O-N 2.84Å
137V78.9Confident74.5Confident54 Ų54114.3 Ų114.333%0.32759%0.589SS.*Hα-helixtrans-62-42.3177.71720000111.3F133 N139 Y140 L141F133-V137 HydrophobicContact CD1-CG2 4.1Å; F133-V137 HydrophobicContact CD2-CG2 4.36Å; F133-V137 HydrophobicContact CE1-CG2 3.71Å; F133-V137 HydrophobicContact CE2-CG2 3.99Å; F133-V137 HydrophobicContact CG-CG2 4.42Å; F133-V137 HydrophobicContact CZ-CG2 3.65Å; F133-V137 WeakPolarHBondContact O-CB 3.37Å; F133-V137 VanDerWaalsContact O-CG2 3.29Å; F133-V137 WeakPolarHBondContact O-CG2 3.2Å; F133-V137 PolarHBondContact O-N 3.49Å; V137-N139 VanDerWaalsContact C-N 3.32Å; V137-N139 PolarHBondContact O-N 3.25Å; V137-Y140 PolarHBondContact O-N 3.18Å; V137-L141 HydrophobicContact CG1-CD1 3.57Å; V137-L141 WeakPolarHBondContact O-CB 3.35Å; V137-L141 WeakPolarHBondContact O-CD1 3.4Å; V137-L141 PolarHBondContact O-N 2.95Å
138K74.1Confident73.7Confident146 Ų146115.2 Ų115.264%0.63560%0.598SS**Hα-helixtrans-60.4-39.7174.4-77.1172.4-175.5176.90112.7A134 N135 T136 L141A134-K138 WeakPolarHBondContact O-CB 3.5Å; A134-K138 VanDerWaalsContact O-CG 3.22Å; A134-K138 WeakPolarHBondContact O-CG 3.29Å; A134-K138 PolarHBondContact O-N 2.94Å; N135-K138 PolarHBondContact O-N 3.44Å; T136-K138 PolarHBondContact O-N 3.38Å; K138-L141 PolarHBondContact O-N 2.88Å
139N72.1Confident73Confident142 Ų142117.4 Ų117.476%0.75961%0.605SS**Hα-helixtrans-73.8-27.6178.3-70.2-13.2000112.9N135 T136 V137N135-N139 WeakPolarHBondContact O-CB 3.45Å; N135-N139 VanDerWaalsContact O-CG 3.25Å; N135-N139 PolarHBondContact O-N 2.91Å; N135-N139 PolarHBondContact O-ND2 3.45Å; T136-N139 PolarHBondContact O-N 3.42Å; V137-N139 VanDerWaalsContact C-N 3.32Å; V137-N139 PolarHBondContact O-N 3.25Å
140Y70.4Confident72.3Confident195 Ų195121.1 Ų121.177%0.76561%0.614SS**Hα-helixtrans-85.3-18.7174.7-88.5-89.9000113.4T136 V137 P142T136-Y140 HydrophobicContact CG2-CD2 3.83Å; T136-Y140 HydrophobicContact CG2-CE2 3.95Å; T136-Y140 WeakPolarHBondContact O-CD2 3.46Å; T136-Y140 PolarHBondContact O-N 2.84Å; V137-Y140 PolarHBondContact O-N 3.18Å; Y140-P142 WeakPolarHBondContact O-CD 3.33Å
141L58.8Low71.4Confident87 Ų87122.5 Ų122.546%0.45561%0.614SS.*SBendtrans-80.2117.8174-100.980.2000110.1V137 K138 F143V137-L141 HydrophobicContact CG1-CD1 3.57Å; V137-L141 WeakPolarHBondContact O-CB 3.35Å; V137-L141 WeakPolarHBondContact O-CD1 3.4Å; V137-L141 PolarHBondContact O-N 2.95Å; K138-L141 PolarHBondContact O-N 2.88Å; L141-F143 HydrophobicContact CB-CD2 4.17Å; L141-F143 HydrophobicContact CD2-CD2 3.88Å; L141-F143 HydrophobicContact CD2-CE2 3.99Å; L141-F143 HydrophobicContact CG-CD2 4.28Å; L141-F143 HydrophobicContact CG-CE2 4.47Å; L141-F143 PolarHBondContact O-N 3.49Å
142P65.5Low70.5Confident111 Ų111126 Ų12672%0.72163%0.626SS**  trans-78.437.5-173.134.8-38.2000113.7Y140Y140-P142 WeakPolarHBondContact O-CD 3.33Å
143F61.5Low69.5Low171 Ų171128.2 Ų128.275%0.7563%0.634SS**  trans-94.23.9-178.9-71.6-69.6000114.7L141 K145L141-F143 HydrophobicContact CB-CD2 4.17Å; L141-F143 HydrophobicContact CD2-CD2 3.88Å; L141-F143 HydrophobicContact CD2-CE2 3.99Å; L141-F143 HydrophobicContact CG-CD2 4.28Å; L141-F143 HydrophobicContact CG-CE2 4.47Å; L141-F143 PolarHBondContact O-N 3.49Å; F143-K145 PolarHBondContact O-N 2.73Å
144N52.6Low68.3Low172 Ų172126.8 Ų126.892%0.9263%0.633SS**  trans-96.177.7161.4-104.7-4.5000109.1
145K43.2Very low67Low264 Ų264135 Ų135100%1.14866%0.664SS**  trans-97.20150.8-78-165.2178.5-176.20108.3F143F143-K145 PolarHBondContact O-N 2.73Å

Retrieved 145 of 145 residues in 167 ms (Link to these results)