A0A096MHP9_POEFO Loading...

ALK and LTK ligand 1

AlphaFold DB , UniProt , Accession A0A096MHP9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 157 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
1M54.3Low71.2Confident204 Ų204127.7 Ų127.7100%1.00560%0.597SS**  0-17.90-61-157.8176.700115.2
2H52.7Low72.4Confident131 Ų131123.8 Ų123.861%0.60659%0.588SS**Hα-helixtrans-81.6-23.3-179.5-158.5104.3000113.6K6H2-K6 WeakPolarHBondContact CD2-CE 3.4Å; H2-K6 VanDerWaalsContact NE2-CE 3.28Å; H2-K6 WeakPolarHBondContact NE2-CE 3.03Å; H2-K6 WeakPolarHBondContact O-CG 3.43Å; H2-K6 PolarHBondContact O-N 3.38Å
3V59.8Low73.5Confident109 Ų109120.8 Ų120.866%0.66158%0.576SS**Hα-helixtrans-74.5-41.5-179.5-179.40000111.8R5 K6 W7V3-R5 VanDerWaalsContact C-N 3.33Å; V3-R5 PolarHBondContact O-N 3.31Å; V3-K6 PolarHBondContact O-N 3.45Å; V3-W7 PolarHBondContact O-N 2.96Å
4E60Low74.5Confident118 Ų118121.1 Ų121.155%0.55158%0.575SS**Hα-helixtrans-56.6-45.4175.8-56.6-54.413300112.2K6 W7 H8E4-K6 VanDerWaalsContact C-N 3.35Å; E4-K6 PolarHBondContact O-N 3.41Å; E4-W7 PolarHBondContact O-N 3.38Å; E4-H8 PolarHBondContact O-CD2 3.27Å; E4-H8 PolarHBondContact O-N 3.32Å
5R65.8Low74.9Confident184 Ų184122.5 Ų122.569%0.69458%0.578SS**Hα-helixtrans-66.1-38-179.9-64.2-175.7-177.9-169.70.3112.1V3 W7 H8 I9V3-R5 VanDerWaalsContact C-N 3.33Å; V3-R5 PolarHBondContact O-N 3.31Å; R5-W7 VanDerWaalsContact C-N 3.34Å; R5-H8 PolarHBondContact O-N 3.43Å; R5-I9 WeakPolarHBondContact O-CD1 3.46Å; R5-I9 WeakPolarHBondContact O-CG1 3.46Å; R5-I9 PolarHBondContact O-N 2.66Å
6K74.1Confident75.3Confident116 Ų116121.9 Ų121.950%0.50458%0.578SS.*Hα-helixtrans-65-40175.9-75176.8169.4172.60111.3H2 V3 E4 I9 L10H2-K6 WeakPolarHBondContact CD2-CE 3.4Å; H2-K6 VanDerWaalsContact NE2-CE 3.28Å; H2-K6 WeakPolarHBondContact NE2-CE 3.03Å; H2-K6 WeakPolarHBondContact O-CG 3.43Å; H2-K6 PolarHBondContact O-N 3.38Å; V3-K6 PolarHBondContact O-N 3.45Å; E4-K6 VanDerWaalsContact C-N 3.35Å; E4-K6 PolarHBondContact O-N 3.41Å; K6-I9 PolarHBondContact O-N 3.34Å; K6-L10 WeakPolarHBondContact O-CG 3.22Å; K6-L10 PolarHBondContact O-N 2.93Å
7W79.1Confident75.5Confident155 Ų155121.2 Ų121.259%0.58758%0.578SS**Hα-helixtrans-64.4-43.8176.8-167.875.3000111.8V3 E4 R5 I9 L10 L11V3-W7 PolarHBondContact O-N 2.96Å; E4-W7 PolarHBondContact O-N 3.38Å; R5-W7 VanDerWaalsContact C-N 3.34Å; W7-I9 PolarHBondContact O-N 2.95Å; W7-L10 PolarHBondContact O-N 3.42Å; W7-L11 HydrophobicContact CD2-CD1 4.33Å; W7-L11 HydrophobicContact CE3-CD1 4.19Å; W7-L11 HydrophobicContact CH2-CD1 3.41Å; W7-L11 VanDerWaalsContact CH2-CD1 3.41Å; W7-L11 HydrophobicContact CZ2-CD1 3.56Å; W7-L11 HydrophobicContact CZ3-CD1 3.75Å; W7-L11 VanDerWaalsContact O-CB 3.32Å; W7-L11 WeakPolarHBondContact O-CB 3.06Å; W7-L11 PolarHBondContact O-N 2.93Å
8H81.3Confident75.3Confident106 Ų106118.8 Ų118.849%0.49157%0.569SS.*Hα-helixtrans-62.8-39.8174.6-71.1-62.3000113.3E4 R5 L11 T12E4-H8 PolarHBondContact O-CD2 3.27Å; E4-H8 PolarHBondContact O-N 3.32Å; R5-H8 PolarHBondContact O-N 3.43Å; H8-L11 PolarHBondContact O-N 2.88Å; H8-T12 WeakPolarHBondContact O-CB 3.21Å; H8-T12 PolarHBondContact O-N 3.12Å; H8-T12 PolarHBondContact O-OG1 2.92Å
9I84.7Confident74.9Confident103 Ų103117.2 Ų117.253%0.52857%0.571SS.*Hα-helixtrans-63.3-45.6176.6-68161.9000110.4R5 K6 W7 L11 T12 I13R5-I9 WeakPolarHBondContact O-CD1 3.46Å; R5-I9 WeakPolarHBondContact O-CG1 3.46Å; R5-I9 PolarHBondContact O-N 2.66Å; K6-I9 PolarHBondContact O-N 3.34Å; W7-I9 PolarHBondContact O-N 2.95Å; I9-L11 VanDerWaalsContact C-N 3.35Å; I9-L11 PolarHBondContact O-N 3.24Å; I9-T12 PolarHBondContact O-N 2.99Å; I9-I13 HydrophobicContact CG2-CD1 3.83Å; I9-I13 VanDerWaalsContact O-CG1 3.29Å; I9-I13 WeakPolarHBondContact O-CG1 3.32Å; I9-I13 PolarHBondContact O-N 3.11Å
10L85.4Confident74.1Confident113 Ų113115.2 Ų115.259%0.59257%0.569SS**Hα-helixtrans-63.1-40.9177-71172.2000112K6 W7 T12 I13 F14K6-L10 WeakPolarHBondContact O-CG 3.22Å; K6-L10 PolarHBondContact O-N 2.93Å; W7-L10 PolarHBondContact O-N 3.42Å; L10-T12 VanDerWaalsContact C-N 3.34Å; L10-T12 PolarHBondContact O-N 2.72Å; L10-I13 PolarHBondContact O-N 3.25Å; L10-F14 WeakPolarHBondContact O-CB 3.35Å; L10-F14 PolarHBondContact O-N 2.87Å
11L86.1Confident73.2Confident66 Ų66111.9 Ų111.935%0.34656%0.564SS.*Hα-helixtrans-67.7-36178.9-156.4144.5000111.6W7 H8 I9 F14 F15W7-L11 HydrophobicContact CD2-CD1 4.33Å; W7-L11 HydrophobicContact CE3-CD1 4.19Å; W7-L11 HydrophobicContact CH2-CD1 3.41Å; W7-L11 VanDerWaalsContact CH2-CD1 3.41Å; W7-L11 HydrophobicContact CZ2-CD1 3.56Å; W7-L11 HydrophobicContact CZ3-CD1 3.75Å; W7-L11 VanDerWaalsContact O-CB 3.32Å; W7-L11 WeakPolarHBondContact O-CB 3.06Å; W7-L11 PolarHBondContact O-N 2.93Å; H8-L11 PolarHBondContact O-N 2.88Å; I9-L11 VanDerWaalsContact C-N 3.35Å; I9-L11 PolarHBondContact O-N 3.24Å; L11-F14 PolarHBondContact O-N 2.03Å; L11-F15 HydrophobicContact CD2-CD2 4.1Å; L11-F15 HydrophobicContact CD2-CE2 4.49Å; L11-F15 WeakPolarHBondContact O-CB 3.41Å; L11-F15 PolarHBondContact O-N 3.13Å
12T85.6Confident73.1Confident80 Ų80110.3 Ų110.349%0.49156%0.555SS.*Hα-helixtrans-66.9-44.4173.9-49.90000111.3H8 I9 L10 F14 F15 L16H8-T12 WeakPolarHBondContact O-CB 3.21Å; H8-T12 PolarHBondContact O-N 3.12Å; H8-T12 PolarHBondContact O-OG1 2.92Å; I9-T12 PolarHBondContact O-N 2.99Å; L10-T12 VanDerWaalsContact C-N 3.34Å; L10-T12 PolarHBondContact O-N 2.72Å; T12-F14 VanDerWaalsContact C-N 3.34Å; T12-F14 PolarHBondContact O-N 3.34Å; T12-F15 PolarHBondContact O-N 3.34Å; T12-L16 HydrophobicContact CG2-CD1 4.34Å; T12-L16 VanDerWaalsContact O-CG 3.28Å; T12-L16 WeakPolarHBondContact O-CG 2.98Å; T12-L16 PolarHBondContact O-N 3.48Å
13I87Confident72.9Confident85 Ų85109 Ų10944%0.43656%0.559SS.*Hα-helixtrans-63.2-41.9176.1-67.7164.7000110.6I9 L10 L16 L17I9-I13 HydrophobicContact CG2-CD1 3.83Å; I9-I13 VanDerWaalsContact O-CG1 3.29Å; I9-I13 WeakPolarHBondContact O-CG1 3.32Å; I9-I13 PolarHBondContact O-N 3.11Å; L10-I13 PolarHBondContact O-N 3.25Å; I13-L16 PolarHBondContact O-N 3.35Å; I13-L17 HydrophobicContact CG2-CD1 3.94Å; I13-L17 HydrophobicContact CG2-CG 4.42Å; I13-L17 VanDerWaalsContact O-CG 3.31Å; I13-L17 WeakPolarHBondContact O-CG 3.27Å; I13-L17 PolarHBondContact O-N 3.34Å
14F86.4Confident72.4Confident126 Ų126108.6 Ų108.655%0.55355%0.551SS**Hα-helixtrans-62.2-43.9176.4-174.9-108.5000112L10 L11 T12 L16 L17 I18L10-F14 WeakPolarHBondContact O-CB 3.35Å; L10-F14 PolarHBondContact O-N 2.87Å; L11-F14 PolarHBondContact O-N 2.03Å; T12-F14 VanDerWaalsContact C-N 3.34Å; T12-F14 PolarHBondContact O-N 3.34Å; F14-L16 VanDerWaalsContact C-N 3.34Å; F14-L16 PolarHBondContact O-N 2.82Å; F14-L17 PolarHBondContact O-N 3.47Å; F14-I18 HydrophobicContact CD1-CD1 3.57Å; F14-I18 HydrophobicContact CE1-CD1 3.22Å; F14-I18 HydrophobicContact CE1-CG1 4.38Å; F14-I18 HydrophobicContact CE2-CD1 4.23Å; F14-I18 HydrophobicContact CG-CD1 4.23Å; F14-I18 HydrophobicContact CZ-CD1 3.59Å; F14-I18 HydrophobicContact CZ-CG1 4.42Å; F14-I18 WeakPolarHBondContact O-CG1 3.28Å; F14-I18 PolarHBondContact O-N 3.34Å
15F81.2Confident71.6Confident141 Ų141109 Ų10962%0.61856%0.558SS**Hα-helixtrans-62.4-39.7174.5-115.7-87.7000112.6L11 T12 I18 S19L11-F15 HydrophobicContact CD2-CD2 4.1Å; L11-F15 HydrophobicContact CD2-CE2 4.49Å; L11-F15 WeakPolarHBondContact O-CB 3.41Å; L11-F15 PolarHBondContact O-N 3.13Å; T12-F15 PolarHBondContact O-N 3.34Å; F15-I18 PolarHBondContact O-N 3.18Å; F15-S19 VanDerWaalsContact O-CB 3.32Å; F15-S19 WeakPolarHBondContact O-CB 3.31Å; F15-S19 PolarHBondContact O-N 3.05Å
16L80.8Confident70.8Confident113 Ų113104 Ų10459%0.59255%0.55SS**Hα-helixtrans-66.1-37.9175.6-71.9170.4000112.1T12 I13 F14 S20T12-L16 HydrophobicContact CG2-CD1 4.34Å; T12-L16 VanDerWaalsContact O-CG 3.28Å; T12-L16 WeakPolarHBondContact O-CG 2.98Å; T12-L16 PolarHBondContact O-N 3.48Å; I13-L16 PolarHBondContact O-N 3.35Å; F14-L16 VanDerWaalsContact C-N 3.34Å; F14-L16 PolarHBondContact O-N 2.82Å; L16-S20 WeakPolarHBondContact O-CB 3.38Å; L16-S20 PolarHBondContact O-N 2.69Å; L16-S20 PolarHBondContact O-OG 3.1Å
17L78.4Confident69.3Low110 Ų110104.5 Ų104.558%0.57655%0.552SS**Hα-helixtrans-67.6-38.8175.1-72.7168.3000112.1I13 F14 S20 G21I13-L17 HydrophobicContact CG2-CD1 3.94Å; I13-L17 HydrophobicContact CG2-CG 4.42Å; I13-L17 VanDerWaalsContact O-CG 3.31Å; I13-L17 WeakPolarHBondContact O-CG 3.27Å; I13-L17 PolarHBondContact O-N 3.34Å; F14-L17 PolarHBondContact O-N 3.47Å; L17-S20 WeakPolarHBondContact CA-OG 3.24Å; L17-S20 PolarHBondContact O-OG 3.03Å; L17-S20 VanDerWaalsContact O-OG 3.07Å; L17-G21 PolarHBondContact O-N 3.37Å
18I73.5Confident67.8Low79 Ų79103.8 Ų103.841%0.40556%0.556SS.*Hα-helixtrans-68.8-42.9175.2-67.5166.8000111.1F14 F15 S20 G21 Q22F14-I18 HydrophobicContact CD1-CD1 3.57Å; F14-I18 HydrophobicContact CE1-CD1 3.22Å; F14-I18 HydrophobicContact CE1-CG1 4.38Å; F14-I18 HydrophobicContact CE2-CD1 4.23Å; F14-I18 HydrophobicContact CG-CD1 4.23Å; F14-I18 HydrophobicContact CZ-CD1 3.59Å; F14-I18 HydrophobicContact CZ-CG1 4.42Å; F14-I18 WeakPolarHBondContact O-CG1 3.28Å; F14-I18 PolarHBondContact O-N 3.34Å; F15-I18 PolarHBondContact O-N 3.18Å; I18-S20 VanDerWaalsContact C-N 3.34Å; I18-S20 PolarHBondContact O-N 2.95Å; I18-G21 PolarHBondContact O-N 2.89Å; I18-G21 VanDerWaalsContact O-N 3.17Å; I18-Q22 PolarHBondContact O-N 3.49Å
19S66.9Low66.2Low87 Ų87103.6 Ų103.661%0.60856%0.562SS**Hα-helixtrans-65.5-36.8178.8-176.80000112.2F15 Q22F15-S19 VanDerWaalsContact O-CB 3.32Å; F15-S19 WeakPolarHBondContact O-CB 3.31Å; F15-S19 PolarHBondContact O-N 3.05Å; S19-Q22 PolarHBondContact O-N 3.31Å
20S58.8Low64.6Low78 Ų78104 Ų10455%0.54556%0.56SS.*Hα-helixtrans-73.6-26.9172.549.50000113.3L16 L17 I18 Q22 C23L16-S20 WeakPolarHBondContact O-CB 3.38Å; L16-S20 PolarHBondContact O-N 2.69Å; L16-S20 PolarHBondContact O-OG 3.1Å; L17-S20 WeakPolarHBondContact CA-OG 3.24Å; L17-S20 PolarHBondContact O-OG 3.03Å; L17-S20 VanDerWaalsContact O-OG 3.07Å; I18-S20 VanDerWaalsContact C-N 3.34Å; I18-S20 PolarHBondContact O-N 2.95Å; S20-Q22 VanDerWaalsContact C-N 3.32Å; S20-Q22 PolarHBondContact O-N 3.01Å; S20-C23 PolarHBondContact O-N 3.25Å
21G55.8Low62.9Low45 Ų45103.1 Ų103.146%0.46455%0.553SS.*Hα-helixtrans-68.2-22.4172.800000114.8L17 I18 C23L17-G21 PolarHBondContact O-N 3.37Å; I18-G21 PolarHBondContact O-N 2.89Å; I18-G21 VanDerWaalsContact O-N 3.17Å; G21-C23 PolarHBondContact O-N 3.07Å; G21-C23 VanDerWaalsContact O-N 3.13Å
22Q51.9Low61.4Low171 Ų171104.6 Ų104.680%0.79956%0.561SS**THydrogen-bonded Turntrans-78.213.5176.5-67.1-152.70.100114.6I18 S19 S20I18-Q22 PolarHBondContact O-N 3.49Å; S19-Q22 PolarHBondContact O-N 3.31Å; S20-Q22 VanDerWaalsContact C-N 3.32Å; S20-Q22 PolarHBondContact O-N 3.01Å
23C47.8Very low60.2Low104 Ų104107.1 Ų107.170%0.70357%0.567SS**THydrogen-bonded Turntrans-107.535.1167.7-159.40000112.5S20 G21S20-C23 PolarHBondContact O-N 3.25Å; G21-C23 PolarHBondContact O-N 3.07Å; G21-C23 VanDerWaalsContact O-N 3.13Å
24M50.7Low58.9Low101 Ų101110.6 Ų110.650%0.49858%0.575SS.*  trans-123.120.1178.5-80.5-74.99600116.2S26 K27M24-S26 PolarHBondContact O-N 3.24Å; M24-K27 HydrophobicContact CE-CD 4.15Å; M24-K27 HydrophobicContact SD-CD 3.79Å; M24-K27 PolarHBondContact SD-NZ 2.62Å
25D42.4Very low58Low127 Ų127111.3 Ų111.368%0.67957%0.574SS**THydrogen-bonded Turntrans-10461.6169.5-166.8-7.9000112.4
26S48.2Very low57.7Low77 Ų77108 Ų10854%0.53857%0.565SS.*THydrogen-bonded Turntrans-141.4-3.7165.4-171.50000112.8M24 K30M24-S26 PolarHBondContact O-N 3.24Å; S26-K30 VanDerWaalsContact O-CB 3.22Å; S26-K30 WeakPolarHBondContact O-CB 3.42Å
27K44.4Very low57.7Low127 Ų127107.4 Ų107.455%0.55256%0.562SS**Hα-helixtrans-83.9-31.6178.9-71.8-179.3176.9165.80111.4M24 Q31M24-K27 HydrophobicContact CE-CD 4.15Å; M24-K27 HydrophobicContact SD-CD 3.79Å; M24-K27 PolarHBondContact SD-NZ 2.62Å; K27-Q31 WeakPolarHBondContact O-CB 3.23Å; K27-Q31 PolarHBondContact O-N 2.79Å
28E46.4Very low57.7Low141 Ų141107.2 Ų107.266%0.65956%0.561SS**Hα-helixtrans-73.8-47.2-172.2-38.7-159176.400111.7Q31 N32E28-Q31 PolarHBondContact O-N 2.61Å; E28-N32 PolarHBondContact O-N 3.38Å
29V48.6Very low58Low102 Ų102108.8 Ų108.862%0.61857%0.57SS**Hα-helixtrans-65.4-43.8173.9179.70000111.5Q31 N32 E33V29-Q31 VanDerWaalsContact C-N 3.29Å; V29-Q31 PolarHBondContact O-N 3.11Å; V29-N32 PolarHBondContact O-N 3.08Å; V29-E33 WeakPolarHBondContact O-CB 3.09Å; V29-E33 PolarHBondContact O-N 2.9Å
30K49.7Very low58.5Low111 Ų111110 Ų11048%0.48357%0.569SS.*Hα-helixtrans-65.7-32.5178.3-173.1177.8-179.6-179.40112.1S26 R34S26-K30 VanDerWaalsContact O-CB 3.22Å; S26-K30 WeakPolarHBondContact O-CB 3.42Å; K30-R34 WeakPolarHBondContact O-CB 3.19Å; K30-R34 VanDerWaalsContact O-CG 3.25Å; K30-R34 WeakPolarHBondContact O-CG 2.93Å; K30-R34 PolarHBondContact O-N 3.5Å
31Q51.3Low59.9Low95 Ų95109.9 Ų109.944%0.44456%0.562SS.*Hα-helixtrans-75.7-35.9176.9-169169.9-1.900111.3K27 E28 V29 R34 R35K27-Q31 WeakPolarHBondContact O-CB 3.23Å; K27-Q31 PolarHBondContact O-N 2.79Å; E28-Q31 PolarHBondContact O-N 2.61Å; V29-Q31 VanDerWaalsContact C-N 3.29Å; V29-Q31 PolarHBondContact O-N 3.11Å; Q31-R34 PolarHBondContact O-N 3.28Å; Q31-R35 WeakPolarHBondContact O-CB 3.42Å; Q31-R35 VanDerWaalsContact O-CG 3.22Å; Q31-R35 WeakPolarHBondContact O-CG 3.24Å; Q31-R35 PolarHBondContact O-N 3.42Å
32N53.8Low61Low97 Ų97113 Ų11352%0.51957%0.567SS.*Hα-helixtrans-68-40.6174.1-155.227.8000112.3E28 V29 R35 T36E28-N32 PolarHBondContact O-N 3.38Å; V29-N32 PolarHBondContact O-N 3.08Å; N32-R35 PolarHBondContact O-N 3.12Å; N32-T36 WeakPolarHBondContact O-CG2 3.44Å; N32-T36 PolarHBondContact O-N 3.42Å; N32-T36 PolarHBondContact O-OG1 3.26Å; N32-T36 VanDerWaalsContact O-OG1 3.04Å
33E60.2Low62.2Low133 Ų133111.2 Ų111.262%0.62156%0.559SS**Hα-helixtrans-64.5-39.3173.8-166.9-179.1-179.800111.9V29 T36 L37V29-E33 WeakPolarHBondContact O-CB 3.09Å; V29-E33 PolarHBondContact O-N 2.9Å; E33-T36 WeakPolarHBondContact CA-OG1 3.44Å; E33-T36 PolarHBondContact O-N 3.28Å; E33-T36 PolarHBondContact O-OG1 2.78Å; E33-L37 WeakPolarHBondContact O-CB 3.07Å; E33-L37 PolarHBondContact O-N 3.34Å
34R60.6Low63.6Low157 Ų157111 Ų11159%0.59255%0.554SS**Hα-helixtrans-66.4-39.1173.5-77.9177.6174.6-154.8-5.3112.8K30 Q31 L38K30-R34 WeakPolarHBondContact O-CB 3.19Å; K30-R34 VanDerWaalsContact O-CG 3.25Å; K30-R34 WeakPolarHBondContact O-CG 2.93Å; K30-R34 PolarHBondContact O-N 3.5Å; Q31-R34 PolarHBondContact O-N 3.28Å; R34-L38 VanDerWaalsContact O-CG 3.29Å; R34-L38 WeakPolarHBondContact O-CG 3.48Å; R34-L38 PolarHBondContact O-N 3.02Å; R34-L38 VanDerWaalsContact O-N 3.08Å
35R66.9Low65Low142 Ų142110.8 Ų110.854%0.53655%0.554SS.*Hα-helixtrans-63.2-44.9176.1-76171.3-178.5142.7-5.5111.2Q31 N32 L38 D39Q31-R35 WeakPolarHBondContact O-CB 3.42Å; Q31-R35 VanDerWaalsContact O-CG 3.22Å; Q31-R35 WeakPolarHBondContact O-CG 3.24Å; Q31-R35 PolarHBondContact O-N 3.42Å; N32-R35 PolarHBondContact O-N 3.12Å; R35-L38 PolarHBondContact O-N 3.4Å; R35-D39 PolarHBondContact O-N 2.63Å; R35-D39 VanDerWaalsContact O-N 3.09Å
36T75.8Confident66.5Low72 Ų72112.1 Ų112.144%0.44255%0.554SS.*Hα-helixtrans-66.7-38178.349.50000112.9N32 E33 D39 L40N32-T36 WeakPolarHBondContact O-CG2 3.44Å; N32-T36 PolarHBondContact O-N 3.42Å; N32-T36 PolarHBondContact O-OG1 3.26Å; N32-T36 VanDerWaalsContact O-OG1 3.04Å; E33-T36 WeakPolarHBondContact CA-OG1 3.44Å; E33-T36 PolarHBondContact O-N 3.28Å; E33-T36 PolarHBondContact O-OG1 2.78Å; T36-D39 PolarHBondContact O-N 2.95Å; T36-L40 VanDerWaalsContact O-CD1 3.31Å; T36-L40 WeakPolarHBondContact O-CD1 3.22Å; T36-L40 PolarHBondContact O-N 3.45Å
37L79.8Confident67.2Low99 Ų99113.6 Ų113.652%0.51856%0.556SS.*Hα-helixtrans-65-42.2175.3-157.5171.4000111.6E33 D39 L40 I41E33-L37 WeakPolarHBondContact O-CB 3.07Å; E33-L37 PolarHBondContact O-N 3.34Å; L37-D39 VanDerWaalsContact C-N 3.31Å; L37-D39 PolarHBondContact O-N 3.19Å; L37-L40 PolarHBondContact O-N 3.24Å; L37-I41 HydrophobicContact CD2-CD1 3.25Å; L37-I41 HydrophobicContact CD2-CG1 3.8Å; L37-I41 WeakPolarHBondContact O-CG1 3.37Å; L37-I41 PolarHBondContact O-N 2.04Å
38L79.3Confident68Low107 Ų107110.2 Ų110.256%0.5655%0.548SS*.Hα-helixtrans-62.2-38.4175.3-72171.3000112.2R34 R35 I41 L42R34-L38 VanDerWaalsContact O-CG 3.29Å; R34-L38 WeakPolarHBondContact O-CG 3.48Å; R34-L38 PolarHBondContact O-N 3.02Å; R34-L38 VanDerWaalsContact O-N 3.08Å; R35-L38 PolarHBondContact O-N 3.4Å; L38-I41 PolarHBondContact O-N 3.32Å; L38-L42 WeakPolarHBondContact O-CB 3.13Å; L38-L42 WeakPolarHBondContact O-CG 3.04Å; L38-L42 PolarHBondContact O-N 3.14Å
39D78.3Confident68.4Low111 Ų111110.2 Ų110.259%0.59455%0.548SS*.Hα-helixtrans-65.1-41.7177.2-136.328.7000111.5R35 T36 L37 L42 Q43R35-D39 PolarHBondContact O-N 2.63Å; R35-D39 VanDerWaalsContact O-N 3.09Å; T36-D39 PolarHBondContact O-N 2.95Å; L37-D39 VanDerWaalsContact C-N 3.31Å; L37-D39 PolarHBondContact O-N 3.19Å; D39-L42 PolarHBondContact O-N 3.33Å; D39-Q43 WeakPolarHBondContact O-CB 3.49Å; D39-Q43 PolarHBondContact O-N 2.98Å
40L79Confident68.6Low112 Ų112111.1 Ų111.159%0.58655%0.545SS*.Hα-helixtrans-62.2-42.5172.4-97.978.7000112.4T36 L37 Q43 V44T36-L40 VanDerWaalsContact O-CD1 3.31Å; T36-L40 WeakPolarHBondContact O-CD1 3.22Å; T36-L40 PolarHBondContact O-N 3.45Å; L37-L40 PolarHBondContact O-N 3.24Å; L40-Q43 PolarHBondContact O-N 3.1Å; L40-V44 VanDerWaalsContact O-CG2 3.31Å; L40-V44 WeakPolarHBondContact O-CG2 3.11Å; L40-V44 PolarHBondContact O-N 3.41Å
41I86.8Confident68.5Low77 Ų77116 Ų11640%0.39556%0.561SS.*Hα-helixtrans-64.4-45178.1-70.8169.9000110.5L37 L38 Q43 V44 I45L37-I41 HydrophobicContact CD2-CD1 3.25Å; L37-I41 HydrophobicContact CD2-CG1 3.8Å; L37-I41 WeakPolarHBondContact O-CG1 3.37Å; L37-I41 PolarHBondContact O-N 2.04Å; L38-I41 PolarHBondContact O-N 3.32Å; I41-Q43 VanDerWaalsContact C-N 3.27Å; I41-Q43 PolarHBondContact O-N 2.88Å; I41-V44 PolarHBondContact O-N 3.05Å; I41-I45 HydrophobicContact CG2-CD1 3.62Å; I41-I45 HydrophobicContact CG2-CG1 4.32Å; I41-I45 VanDerWaalsContact O-CG1 3.29Å; I41-I45 WeakPolarHBondContact O-CG1 3.5Å; I41-I45 PolarHBondContact O-N 3.4Å
42L79.3Confident68Low110 Ų110117.4 Ų117.458%0.57657%0.572SS**Hα-helixtrans-62.3-37.5177-75.2171.2000111.5L38 D39 K46L38-L42 WeakPolarHBondContact O-CB 3.13Å; L38-L42 WeakPolarHBondContact O-CG 3.04Å; L38-L42 PolarHBondContact O-N 3.14Å; D39-L42 PolarHBondContact O-N 3.33Å; L42-K46 WeakPolarHBondContact O-CB 3.21Å; L42-K46 PolarHBondContact O-N 3.22Å
43Q77.5Confident67.4Low133 Ų133120 Ų12062%0.62158%0.578SS**Hα-helixtrans-65.2-43.6174.9-171.3171-2.400112D39 L40 I41 K46 D47D39-Q43 WeakPolarHBondContact O-CB 3.49Å; D39-Q43 PolarHBondContact O-N 2.98Å; L40-Q43 PolarHBondContact O-N 3.1Å; I41-Q43 VanDerWaalsContact C-N 3.27Å; I41-Q43 PolarHBondContact O-N 2.88Å; Q43-K46 PolarHBondContact O-N 3.14Å; Q43-D47 WeakPolarHBondContact O-CB 3.32Å; Q43-D47 PolarHBondContact O-N 2.89Å
44V77.2Confident66.5Low100 Ų100119.9 Ų119.961%0.60659%0.589SS**Hα-helixtrans-64.9-42.7177.4170.90000111.8L40 I41 D47 S48L40-V44 VanDerWaalsContact O-CG2 3.31Å; L40-V44 WeakPolarHBondContact O-CG2 3.11Å; L40-V44 PolarHBondContact O-N 3.41Å; I41-V44 PolarHBondContact O-N 3.05Å; V44-D47 PolarHBondContact O-N 3.3Å; V44-S48 WeakPolarHBondContact O-CB 3.47Å; V44-S48 PolarHBondContact O-N 3.02Å; V44-S48 PolarHBondContact O-OG 3.11Å
45I79.8Confident65.5Low96 Ų96119.2 Ų119.249%0.49260%0.602SS.*Hα-helixtrans-66.5-39.6177.8-65.6167.4000110.9I41 D47 S48 Q49I41-I45 HydrophobicContact CG2-CD1 3.62Å; I41-I45 HydrophobicContact CG2-CG1 4.32Å; I41-I45 VanDerWaalsContact O-CG1 3.29Å; I41-I45 WeakPolarHBondContact O-CG1 3.5Å; I41-I45 PolarHBondContact O-N 3.4Å; I45-D47 VanDerWaalsContact C-N 3.33Å; I45-S48 PolarHBondContact O-OG 3.47Å; I45-Q49 WeakPolarHBondContact O-CB 3.28Å; I45-Q49 PolarHBondContact O-N 2.75Å; I45-Q49 VanDerWaalsContact O-N 3.07Å
46K74.4Confident64.1Low156 Ų156117.3 Ų117.368%0.67861%0.611SS**Hα-helixtrans-65.2-39176.2-171.8177.2179.8179.10111.5L42 Q43 Q50L42-K46 WeakPolarHBondContact O-CB 3.21Å; L42-K46 PolarHBondContact O-N 3.22Å; Q43-K46 PolarHBondContact O-N 3.14Å; K46-Q50 PolarHBondContact O-N 3.1Å
47D62.3Low62.6Low108 Ų108125 Ų12558%0.57863%0.631SS**Hα-helixtrans-73.4-35.6178.5-157.157.9000112.5Q43 V44 I45 Q50 R51Q43-D47 WeakPolarHBondContact O-CB 3.32Å; Q43-D47 PolarHBondContact O-N 2.89Å; V44-D47 PolarHBondContact O-N 3.3Å; I45-D47 VanDerWaalsContact C-N 3.33Å; D47-Q50 PolarHBondContact O-N 3.07Å; D47-R51 PolarHBondContact O-N 3.04Å
48S61Low60.3Low56 Ų56129.6 Ų129.639%0.39265%0.65SS.*Hα-helixtrans-66.6-42.2174.669.80000111.7V44 I45 Q50 R51 D52V44-S48 WeakPolarHBondContact O-CB 3.47Å; V44-S48 PolarHBondContact O-N 3.02Å; V44-S48 PolarHBondContact O-OG 3.11Å; I45-S48 PolarHBondContact O-OG 3.47Å; S48-Q50 VanDerWaalsContact C-N 3.28Å; S48-Q50 PolarHBondContact O-N 2.86Å; S48-R51 PolarHBondContact O-N 2.71Å; S48-R51 VanDerWaalsContact O-N 3.08Å; S48-D52 PolarHBondContact O-N 2.78Å; S48-D52 VanDerWaalsContact O-N 3.09Å
49Q55.9Low58.1Low141 Ų141130.6 Ų130.666%0.65967%0.665SS**Hα-helixtrans-68-29.6178.3-153.2-117.759.600112.3I45 R51 D52I45-Q49 WeakPolarHBondContact O-CB 3.28Å; I45-Q49 PolarHBondContact O-N 2.75Å; I45-Q49 VanDerWaalsContact O-N 3.07Å; Q49-R51 VanDerWaalsContact C-N 3.29Å; Q49-R51 PolarHBondContact O-N 3.01Å; Q49-D52 PolarHBondContact O-N 3.45Å
50Q52.1Low55.7Low120 Ų120129 Ų12956%0.56168%0.675SS**Hα-helixtrans-68.4-28172.9-16185.412.300112.4K46 D47 S48K46-Q50 PolarHBondContact O-N 3.1Å; D47-Q50 PolarHBondContact O-N 3.07Å; S48-Q50 VanDerWaalsContact C-N 3.28Å; S48-Q50 PolarHBondContact O-N 2.86Å
51R47Very low53.7Low214 Ų214130.1 Ų130.181%0.80869%0.691SS**Hα-helixtrans-80.7-24.6172.8-88.2-159.8179.6-170.51.7113.8D47 S48 Q49 K53D47-R51 PolarHBondContact O-N 3.04Å; S48-R51 PolarHBondContact O-N 2.71Å; S48-R51 VanDerWaalsContact O-N 3.08Å; Q49-R51 VanDerWaalsContact C-N 3.29Å; Q49-R51 PolarHBondContact O-N 3.01Å; R51-K53 PolarHBondContact O-N 2.9Å
52D40.6Very low51Low125 Ų125129.9 Ų129.967%0.66871%0.708SS**  trans-85.549.9177.5-67.3-39.6000112.3S48 Q49S48-D52 PolarHBondContact O-N 2.78Å; S48-D52 VanDerWaalsContact O-N 3.09Å; Q49-D52 PolarHBondContact O-N 3.45Å
53K42.1Very low48.8Very low150 Ų150132.2 Ų132.265%0.65272%0.72SS**  trans-79.6124.7158.1-80.3165.7177.5-177.50107.5R51 V55R51-K53 PolarHBondContact O-N 2.9Å; K53-V55 PolarHBondContact O-N 3.12Å
54P41.9Very low46.7Very low131 Ų131133.4 Ų133.485%0.85173%0.725SS**  trans-72.998.7-168.928.8-34000110.5
55V38Very low44.6Very low143 Ų143135 Ų13587%0.86774%0.735SS**  trans-91114.9161.2175.10000108K53K53-V55 PolarHBondContact O-N 3.12Å
56S38.2Very low42.2Very low103 Ų103136.3 Ų136.372%0.7275%0.753SS**  trans-43.2134.9179.4175.80000114.9
57R43.6Very low40.2Very low233 Ų233132.3 Ų132.388%0.87975%0.75SS**  trans-17.3129.3160-56.5172.6-162.3150.94.5116.2
58H31.8Very low38.9Very low195 Ų195135.6 Ų135.690%0.90376%0.761SS**  -151.5132.3128.7-136.566.9000111.5
59C32.7Very low37.4Very low129 Ų129138.8 Ų138.887%0.87277%0.774SS**  trans-95.6138.1-178.6-160.70000108.6
60G29.6Very low36.4Very low78 Ų78140.2 Ų140.280%0.80478%0.778SS**  trans-161.3106.1177.600000111.5
61S36.5Very low35.3Very low134 Ų134143.2 Ų143.294%0.93779%0.79SS**  trans-71.8148.5177.3-154.80000112
62G30.2Very low34.4Very low72 Ų72138.1 Ų138.174%0.74279%0.787SS**  trans155.8102.616400000118.9
63L33.2Very low34.2Very low160 Ų160137.7 Ų137.784%0.83879%0.794SS**  trans36.9119.8132.8-129.369000123.7
64H32.3Very low33.9Very low157 Ų157135.6 Ų135.673%0.72780%0.798SS**  trans47.4126.2136.3-66.8-108.8000124.2
65T34.3Very low34Very low133 Ų133140 Ų14082%0.81680%0.797SS**  trans46.2123.3141.549.40000122
66S29.5Very low34Very low124 Ų124141.3 Ų141.387%0.86779%0.794SS**  162.1157.9112.4-169.90000112.8
67A32.2Very low34.2Very low73 Ų73145.5 Ų145.560%0.60380%0.8SS**  trans-63.1155.6-171.500000117.8
68Q34.9Very low33.7Very low176 Ų176140 Ų14082%0.82279%0.794SS**  trans57.9151.4144-69.5178.6-3.700117.8
69D29.3Very low34.2Very low124 Ų124138.3 Ų138.366%0.66379%0.791SS**  cis-169.4159.9-6.8-113.2-40000106.5
70F33.8Very low34.4Very low170 Ų170142.6 Ų142.675%0.74679%0.79SS**  trans86.3125.3145.2-107.2-105.3000125.3
71K30.1Very low35.2Very low183 Ų183144.8 Ų144.880%0.79679%0.788SS**  trans75.2129.6156.2-89.2165-178.1172.30117.1
72S26.9Very low35.3Very low108 Ų108142.4 Ų142.476%0.75577%0.769SS**  cis-173.8137.823.752.30000106.9
73S36.7Very low35.8Very low116 Ų116149.5 Ų149.581%0.81177%0.774SS**  135.2111.183.4167.90000107.2
74S36.9Very low36.4Very low106 Ų106148.5 Ų148.574%0.74177%0.768SS**  -173.5128.9129-167.20000108.9E76S74-E76 PolarHBondContact O-N 2.93Å
75R44.1Very low36.6Very low222 Ų222146.8 Ų146.884%0.83876%0.764SS**  trans-77.1104.3-178.5172.2-178.1174.7163.3-3.2108.6
76E36.3Very low37.2Very low172 Ų172148.4 Ų148.480%0.80477%0.768SS**  trans-128124.7157.9-68.6-174.8148.500107.8S74 P78S74-E76 PolarHBondContact O-N 2.93Å; E76-P78 VanDerWaalsContact O-CD 3.27Å; E76-P78 WeakPolarHBondContact O-CD 3.31Å
77K42.9Very low38.1Very low190 Ų190148.3 Ų148.383%0.82676%0.763SS**  trans-89.5115.1173.3-88.7168.9166.7-179.20107.5
78P34.3Very low39Very low117 Ų117155.6 Ų155.676%0.7677%0.774SS**  trans-104.7146.6151.79.810.3000109.6E76E76-P78 VanDerWaalsContact O-CD 3.27Å; E76-P78 WeakPolarHBondContact O-CD 3.31Å
79L42.2Very low39.5Very low161 Ų161153.1 Ų153.184%0.84377%0.766SS**  trans-56.8152.5-178-56.7-167.2000112.4V81L79-V81 PolarHBondContact O-N 2.83Å
80Y37Very low40.4Very low218 Ų218154.9 Ų154.986%0.85577%0.774SS**  trans-53.8100.1178.1-161.7-100.9000110.9P82Y80-P82 HydrophobicContact CD1-CG 3.81Å; Y80-P82 HydrophobicContact CE1-CG 3.54Å
81V44.6Very low40.9Very low125 Ų125151.7 Ų151.776%0.75876%0.764SS**  trans-110.7107.6160.1-175.20000105.7L79 R83L79-V81 PolarHBondContact O-N 2.83Å; V81-R83 PolarHBondContact O-N 2.93Å
82P39.2Very low42Very low83 Ų83149.9 Ų149.954%0.53976%0.762SS.*  trans-58.8108.6168.1-20.932.6000108.2Y80 L84Y80-P82 HydrophobicContact CD1-CG 3.81Å; Y80-P82 HydrophobicContact CE1-CG 3.54Å; P82-L84 VanDerWaalsContact C-N 3.31Å; P82-L84 PolarHBondContact O-N 3.32Å
83R40.5Very low43Very low222 Ų222148.1 Ų148.184%0.83875%0.747SS**  trans-62.2100.2160.5-164.7-178.5-172.7104.5-1.5104.8V81 D85V81-R83 PolarHBondContact O-N 2.93Å; R83-D85 VanDerWaalsContact C-N 3.33Å; R83-D85 PolarHBondContact O-N 2.96Å
84L45.9Very low43.7Very low139 Ų139147.4 Ų147.473%0.72874%0.739SS**  trans-72.998.2-179.7-157.786.5000107.5P82 N86P82-L84 VanDerWaalsContact C-N 3.31Å; P82-L84 PolarHBondContact O-N 3.32Å; L84-N86 PolarHBondContact O-N 3.4Å
85D35.9Very low44.6Very low120 Ų120152.2 Ų152.264%0.64274%0.741SS**  trans-48.1123.8170.2-67.6-51000110.4R83 T87R83-D85 VanDerWaalsContact C-N 3.33Å; R83-D85 PolarHBondContact O-N 2.96Å; D85-T87 PolarHBondContact O-N 2.81Å
86N47.5Very low45.3Very low167 Ų167145 Ų14589%0.89372%0.719SS**THydrogen-bonded Turntrans-68.437.2173.4-76.6-4000112.6L84L84-N86 PolarHBondContact O-N 3.4Å
87T48.5Very low46.5Very low123 Ų123139.6 Ų139.676%0.75570%0.703SS**THydrogen-bonded Turntrans-136.71-172.1-38.50000114.1D85D85-T87 PolarHBondContact O-N 2.81Å
88R51.4Low47.5Very low226 Ų226136.2 Ų136.285%0.85369%0.691SS**  trans-144.784.6171.9-67.8-172.2-177.1-176.71.7112.8
89L45.6Very low49.2Very low123 Ų123134.2 Ų134.264%0.64467%0.673SS**  trans-165.172.8144.6-103.3141.8000107.5D91L89-D91 HydrophobicContact CB-CB 4.46Å; L89-D91 HydrophobicContact CD2-CB 3.27Å; L89-D91 HydrophobicContact CG-CB 4.45Å; L89-D91 PolarHBondContact O-N 3.21Å
90I48.7Very low50.6Low162 Ų162127.6 Ų127.683%0.83164%0.637SS**  trans-60.979.1130.7-58.2179.5000103.6I92I90-I92 HydrophobicContact CG2-CG1 4.18Å; I90-I92 PolarHBondContact O-N 2.95Å
91D43Very low52.3Low102 Ų102121.2 Ų121.255%0.54562%0.618SS.*  trans-64.6102.1166-156.61.6000103.3L89 V93L89-D91 HydrophobicContact CB-CB 4.46Å; L89-D91 HydrophobicContact CD2-CB 3.27Å; L89-D91 HydrophobicContact CG-CB 4.45Å; L89-D91 PolarHBondContact O-N 3.21Å; D91-V93 HydrophobicContact CB-CG2 3.79Å; D91-V93 VanDerWaalsContact CG-CG2 3.46Å; D91-V93 PolarHBondContact O-N 3.28Å; D91-V93 PolarHBondContact OD1-N 3.44Å; D91-V93 VanDerWaalsContact OD2-CG2 3.26Å; D91-V93 WeakPolarHBondContact OD2-CG2 3.35Å
92I53.9Low53.8Low146 Ų146119.6 Ų119.675%0.74960%0.601SS**  trans-66.763.7154.4-53.7161.6000103.9I90I90-I92 HydrophobicContact CG2-CG1 4.18Å; I90-I92 PolarHBondContact O-N 2.95Å
93V47.8Very low55.5Low71 Ų71117.3 Ų117.343%0.4358%0.583SS.*  trans-49.5125.3153.3179.80000102.2D91 R95D91-V93 HydrophobicContact CB-CG2 3.79Å; D91-V93 VanDerWaalsContact CG-CG2 3.46Å; D91-V93 PolarHBondContact O-N 3.28Å; D91-V93 PolarHBondContact OD1-N 3.44Å; D91-V93 VanDerWaalsContact OD2-CG2 3.26Å; D91-V93 WeakPolarHBondContact OD2-CG2 3.35Å; V93-R95 VanDerWaalsContact C-N 3.32Å; V93-R95 PolarHBondContact O-N 2.83Å
94P51.4Low57Low100 Ų100108.6 Ų108.665%0.64955%0.552SS**  trans-45.7107.6173.5-24.432000105.9D96P94-D96 VanDerWaalsContact C-N 3.28Å; P94-D96 PolarHBondContact O-N 3.49Å
95R55.9Low58.4Low208 Ų208108.3 Ų108.379%0.78555%0.547SS*.  trans-57.5106.7179.6-104.6-173.4174.1-136.67.1102.9V93 A97V93-R95 VanDerWaalsContact C-N 3.32Å; V93-R95 PolarHBondContact O-N 2.83Å; R95-A97 PolarHBondContact O-N 2.87Å
96D59Low60.2Low71 Ų71109.2 Ų109.238%0.3855%0.547SS..  trans-67.470.4-167.6-66.3-60.2000110.6P94 H98 L99 K100P94-D96 VanDerWaalsContact C-N 3.28Å; P94-D96 PolarHBondContact O-N 3.49Å; D96-H98 PolarHBondContact O-N 3.07Å; D96-L99 HydrophobicContact CB-CB 3.87Å; D96-L99 HydrophobicContact CB-CD1 3.63Å; D96-L99 HydrophobicContact CB-CG 3.75Å; D96-L99 PolarHBondContact O-N 3.27Å; D96-K100 PolarHBondContact O-N 3.33Å; D96-K100 VanDerWaalsContact O-N 3.1Å
97A60.8Low61.5Low57 Ų57102.4 Ų102.447%0.47151%0.51SS..Hα-helixtrans-56-36.1175.300000109R95 L99 K100 D101R95-A97 PolarHBondContact O-N 2.87Å; A97-L99 PolarHBondContact O-N 2.78Å; A97-K100 CarbonylContact O-C 3.47Å; A97-K100 WeakPolarHBondContact O-CA 3.32Å; A97-K100 VanDerWaalsContact O-CB 3.24Å; A97-K100 WeakPolarHBondContact O-CB 3.48Å; A97-K100 PolarHBondContact O-N 3.31Å; A97-K100 VanDerWaalsContact O-N 3.12Å; A97-D101 PolarHBondContact O-N 2.96Å
98H64.9Low62.3Low120 Ų12098.6 Ų98.656%0.55650%0.495SS*.Hα-helixtrans-65.2-35.3176.9-172.2-124.8000114.3D96 K100 K102D96-H98 PolarHBondContact O-N 3.07Å; H98-K100 VanDerWaalsContact C-N 3.32Å; H98-K102 WeakPolarHBondContact CE1-CE 3.37Å; H98-K102 PolarHBondContact CE1-NZ 3.41Å; H98-K102 WeakPolarHBondContact NE2-CE 3.43Å; H98-K102 WeakPolarHBondContact O-CG 3.42Å; H98-K102 PolarHBondContact O-N 3.18Å; H98-K102 VanDerWaalsContact O-N 3.14Å
99L69.6Low63Low75 Ų7591.9 Ų91.939%0.39349%0.488SS..Hα-helixtrans-72.7-32.9173.6-66.3179.7000111.2D96 A97 F103 Y138D96-L99 HydrophobicContact CB-CB 3.87Å; D96-L99 HydrophobicContact CB-CD1 3.63Å; D96-L99 HydrophobicContact CB-CG 3.75Å; D96-L99 PolarHBondContact O-N 3.27Å; A97-L99 PolarHBondContact O-N 2.78Å; L99-F103 WeakPolarHBondContact O-CB 3.21Å; L99-F103 PolarHBondContact O-N 2.93Å; L99-Y138 HydrophobicContact CB-CE2 4.38Å
100K71.1Confident63.9Low21 Ų2187.2 Ų87.29%0.09147%0.47CS..Hα-helixtrans-65.1-48.8175.4-161.9177.3172.1160.10109.8D96 A97 H98 K102 F103 I104 Y126 C132 S133D96-K100 PolarHBondContact O-N 3.33Å; D96-K100 VanDerWaalsContact O-N 3.1Å; A97-K100 CarbonylContact O-C 3.47Å; A97-K100 WeakPolarHBondContact O-CA 3.32Å; A97-K100 VanDerWaalsContact O-CB 3.24Å; A97-K100 WeakPolarHBondContact O-CB 3.48Å; A97-K100 PolarHBondContact O-N 3.31Å; A97-K100 VanDerWaalsContact O-N 3.12Å; H98-K100 VanDerWaalsContact C-N 3.32Å; K100-K102 PolarHBondContact O-N 2.99Å; K100-F103 WeakPolarHBondContact O-CB 3.44Å; K100-F103 PolarHBondContact O-N 3.13Å; K100-F103 VanDerWaalsContact O-N 3.11Å; K100-I104 PolarHBondContact O-N 3.49Å; K100-I104 VanDerWaalsContact O-N 3.08Å; K100-Y126 WeakPolarHBondContact CA-OH 3.39Å; K100-Y126 HydrophobicContact CB-CE1 4.37Å; K100-Y126 HydrophobicContact CD-CE1 3.89Å; K100-Y126 VanDerWaalsContact CE-CD1 3.47Å; K100-Y126 VanDerWaalsContact CE-O 3.28Å; K100-Y126 WeakPolarHBondContact CE-O 3.5Å; K100-Y126 HydrophobicContact CG-CD1 4.29Å; K100-Y126 HydrophobicContact CG-CE1 3.25Å; K100-Y126 HydrophobicContact CG-CE2 4.29Å; K100-Y126 WeakPolarHBondContact CG-OH 3.17Å; K100-Y126 PolarHBondContact NZ-O 3.38Å; K100-Y126 PolarHBondContact O-OH 3.48Å; K100-C132 WeakPolarHBondContact CD-O 3.32Å; K100-C132 WeakPolarHBondContact CE-O 3.49Å; K100-C132 PolarHBondContact NZ-O 3.44Å; K100-S133 PolarHBondContact NZ-OG 3.21Å
101D73.7Confident64.3Low85 Ų8589.2 Ų89.246%0.45548%0.475SS..Hα-helixtrans-64.1-41.9179.2-62.1-27.5000112.6A97 F103 I104 Q105A97-D101 PolarHBondContact O-N 2.96Å; D101-F103 VanDerWaalsContact C-N 3.32Å; D101-F103 PolarHBondContact O-N 3.5Å; D101-I104 PolarHBondContact O-N 2.7Å; D101-Q105 WeakPolarHBondContact O-CB 3.48Å; D101-Q105 PolarHBondContact O-N 3.48Å
102K76.1Confident65.3Low90 Ų9085.7 Ų85.739%0.39146%0.457SS..Hα-helixtrans-61-39.8173.2-75.5178.7174.9-176.70112.5H98 K100 Q105 H106H98-K102 WeakPolarHBondContact CE1-CE 3.37Å; H98-K102 PolarHBondContact CE1-NZ 3.41Å; H98-K102 WeakPolarHBondContact NE2-CE 3.43Å; H98-K102 WeakPolarHBondContact O-CG 3.42Å; H98-K102 PolarHBondContact O-N 3.18Å; H98-K102 VanDerWaalsContact O-N 3.14Å; K100-K102 PolarHBondContact O-N 2.99Å; K102-Q105 PolarHBondContact O-N 2.66Å; K102-H106 WeakPolarHBondContact O-CB 3.29Å; K102-H106 PolarHBondContact O-CD2 2.94Å; K102-H106 PolarHBondContact O-N 2.91Å
103F74.6Confident65.6Low36 Ų3688.5 Ų88.516%0.15846%0.464CS..Hα-helixtrans-61.9-46.1176.9174.2-84.9000111.1L99 K100 D101 Q105 H106 F107 Y126 Y138 A142 L145L99-F103 WeakPolarHBondContact O-CB 3.21Å; L99-F103 PolarHBondContact O-N 2.93Å; K100-F103 WeakPolarHBondContact O-CB 3.44Å; K100-F103 PolarHBondContact O-N 3.13Å; K100-F103 VanDerWaalsContact O-N 3.11Å; D101-F103 VanDerWaalsContact C-N 3.32Å; D101-F103 PolarHBondContact O-N 3.5Å; F103-Q105 VanDerWaalsContact C-N 3.34Å; F103-Q105 PolarHBondContact O-N 2.94Å; F103-H106 PolarHBondContact O-N 2.92Å; F103-F107 HydrophobicContact CE1-CB 4.4Å; F103-F107 HydrophobicContact CE1-CD2 4.21Å; F103-F107 HydrophobicContact CE1-CG 4.44Å; F103-F107 AromaticContact CZ-CD2 3.97Å; F103-F107 HydrophobicContact CZ-CD2 3.97Å; F103-F107 WeakPolarHBondContact O-CB 3.26Å; F103-F107 PolarHBondContact O-N 3.07Å; F103-Y126 HydrophobicContact CD1-CD2 4.49Å; F103-Y126 AromaticContact CD1-CE2 3.48Å; F103-Y126 HydrophobicContact CD1-CE2 3.48Å; F103-Y126 VanDerWaalsContact CD1-CE2 3.48Å; F103-Y126 AromaticContact CD1-CZ 3.78Å; F103-Y126 WeakPolarHBondContact CD1-OH 3.41Å; F103-Y126 HydrophobicContact CE1-CD2 4.46Å; F103-Y126 AromaticContact CE1-CE2 3.76Å; F103-Y126 HydrophobicContact CE1-CE2 3.76Å; F103-Y138 HydrophobicContact CD2-CD2 4.22Å; F103-Y138 HydrophobicContact CD2-CG 4.45Å; F103-A142 HydrophobicContact CE2-CB 4.03Å; F103-A142 HydrophobicContact CZ-CB 3.7Å; F103-L145 HydrophobicContact CE1-CD1 3.8Å; F103-L145 HydrophobicContact CZ-CD1 4.4Å
104I72.7Confident66.2Low38 Ų3887.5 Ų87.520%0.19545%0.454CS..Hα-helixtrans-63.1-41.7174.5-89-166.5000111.6K100 D101 H106 F107 G108 F122 Y126K100-I104 PolarHBondContact O-N 3.49Å; K100-I104 VanDerWaalsContact O-N 3.08Å; D101-I104 PolarHBondContact O-N 2.7Å; I104-H106 VanDerWaalsContact C-N 3.34Å; I104-H106 PolarHBondContact O-N 2.96Å; I104-F107 PolarHBondContact O-N 3.26Å; I104-G108 PolarHBondContact O-N 3.46Å; I104-F122 HydrophobicContact CD1-CD1 4.46Å; I104-F122 HydrophobicContact CD1-CE1 3.85Å; I104-F122 HydrophobicContact CG1-CE1 3.96Å; I104-Y126 HydrophobicContact CB-CE1 4.29Å; I104-Y126 HydrophobicContact CD1-CD1 3Å; I104-Y126 HydrophobicContact CD1-CD2 4.21Å; I104-Y126 HydrophobicContact CD1-CE1 3.32Å; I104-Y126 HydrophobicContact CD1-CG 3.44Å; I104-Y126 VanDerWaalsContact CD1-CG 3.44Å; I104-Y126 HydrophobicContact CG1-CD1 3.56Å; I104-Y126 HydrophobicContact CG1-CD2 4.14Å; I104-Y126 HydrophobicContact CG1-CE1 3.36Å; I104-Y126 HydrophobicContact CG1-CE2 4.06Å; I104-Y126 HydrophobicContact CG1-CG 3.87Å
105Q73.9Confident66.9Low134 Ų13484.2 Ų84.263%0.62643%0.433SS*.Hα-helixtrans-60.8-45.4-179.6-168.8173.823.200110.9D101 K102 F103 A109D101-Q105 WeakPolarHBondContact O-CB 3.48Å; D101-Q105 PolarHBondContact O-N 3.48Å; K102-Q105 PolarHBondContact O-N 2.66Å; F103-Q105 VanDerWaalsContact C-N 3.34Å; F103-Q105 PolarHBondContact O-N 2.94Å; Q105-A109 WeakPolarHBondContact O-CB 3.3Å; Q105-A109 PolarHBondContact O-N 3.01Å
106H74.1Confident67.4Low138 Ų13878.8 Ų78.864%0.63943%0.427SS*.Hα-helixtrans-71.1-33.9176.1-70.1-60.1000113.1K102 F103 I104 G110K102-H106 WeakPolarHBondContact O-CB 3.29Å; K102-H106 PolarHBondContact O-CD2 2.94Å; K102-H106 PolarHBondContact O-N 2.91Å; F103-H106 PolarHBondContact O-N 2.92Å; I104-H106 VanDerWaalsContact C-N 3.34Å; I104-H106 PolarHBondContact O-N 2.96Å; H106-G110 PolarHBondContact O-N 3.33Å
107F74.2Confident67.8Low24 Ų2482.7 Ų82.711%0.10544%0.443CS..Hα-helixtrans-72.9-38.8178.7-164.1-84.2000112.4F103 I104 V112 F114 F122 A142 L145 T146F103-F107 HydrophobicContact CE1-CB 4.4Å; F103-F107 HydrophobicContact CE1-CD2 4.21Å; F103-F107 HydrophobicContact CE1-CG 4.44Å; F103-F107 AromaticContact CZ-CD2 3.97Å; F103-F107 HydrophobicContact CZ-CD2 3.97Å; F103-F107 WeakPolarHBondContact O-CB 3.26Å; F103-F107 PolarHBondContact O-N 3.07Å; I104-F107 PolarHBondContact O-N 3.26Å; F107-V112 HydrophobicContact CE1-CB 4.45Å; F107-V112 HydrophobicContact CE1-CG1 4.32Å; F107-V112 HydrophobicContact CE1-CG2 4.29Å; F107-V112 HydrophobicContact CZ-CG2 4.45Å; F107-F114 HydrophobicContact CD1-CE2 4.24Å; F107-F114 AromaticContact CD1-CZ 3.91Å; F107-F114 HydrophobicContact CD1-CZ 3.91Å; F107-F114 HydrophobicContact CE1-CE2 4.42Å; F107-F114 AromaticContact CE1-CZ 3.72Å; F107-F114 HydrophobicContact CE1-CZ 3.72Å; F107-F122 AromaticContact CD1-CE2 3.7Å; F107-F122 HydrophobicContact CD1-CE2 3.7Å; F107-F122 AromaticContact CD1-CZ 3.44Å; F107-F122 HydrophobicContact CD1-CZ 3.44Å; F107-F122 VanDerWaalsContact CD1-CZ 3.44Å; F107-F122 AromaticContact CE1-CE2 3.55Å; F107-F122 HydrophobicContact CE1-CE2 3.55Å; F107-F122 AromaticContact CE1-CZ 3.82Å; F107-F122 HydrophobicContact CE1-CZ 3.82Å; F107-F122 HydrophobicContact CG-CZ 4.29Å; F107-A142 HydrophobicContact CD2-CB 4.41Å; F107-A142 HydrophobicContact CE2-CB 3.94Å; F107-L145 HydrophobicContact CE1-CB 3.87Å; F107-L145 HydrophobicContact CE2-CB 4.25Å; F107-L145 HydrophobicContact CZ-CB 3.59Å; F107-T146 VanDerWaalsContact CZ-OG1 3.28Å; F107-T146 WeakPolarHBondContact CZ-OG1 3.22Å
108G65.4Low68.3Low43 Ų4380.3 Ų80.344%0.44342%0.423SS..Hα-helixtrans-77.5-28.5175.600000113.3I104I104-G108 PolarHBondContact O-N 3.46Å
109A66.6Low68.7Low85 Ų8581.4 Ų81.470%0.70243%0.426SS*.Hα-helixtrans-80.8-23.7172.900000113.1Q105Q105-A109 WeakPolarHBondContact O-CB 3.3Å; Q105-A109 PolarHBondContact O-N 3.01Å
110G63.9Low69Low26 Ų2683 Ų8327%0.26844%0.439SS..THydrogen-bonded Turntrans-96113.9-177.800000112.6H106 V112H106-G110 PolarHBondContact O-N 3.33Å; G110-V112 PolarHBondContact O-N 3.06Å
111H58Low69.2Low203 Ų20387.3 Ų87.394%0.9446%0.459SS*.THydrogen-bonded Turntrans47-12161.2-48.2-87.8000120.4
112V64.4Low69.5Low29 Ų2984 Ų8418%0.17644%0.441CS..  trans-101.795.6-176.5-176.30000106.9F107 G110 F114 T146 A149F107-V112 HydrophobicContact CE1-CB 4.45Å; F107-V112 HydrophobicContact CE1-CG1 4.32Å; F107-V112 HydrophobicContact CE1-CG2 4.29Å; F107-V112 HydrophobicContact CZ-CG2 4.45Å; G110-V112 PolarHBondContact O-N 3.06Å; V112-F114 HydrophobicContact CB-CE2 4.17Å; V112-F114 HydrophobicContact CB-CZ 4.31Å; V112-F114 HydrophobicContact CG1-CD1 4.47Å; V112-F114 HydrophobicContact CG1-CD2 4.35Å; V112-F114 HydrophobicContact CG1-CE1 3.92Å; V112-F114 HydrophobicContact CG1-CE2 3.77Å; V112-F114 HydrophobicContact CG1-CZ 3.55Å; V112-F114 WeakPolarHBondContact O-CD2 3.32Å; V112-F114 PolarHBondContact O-N 3.33Å; V112-T146 HydrophobicContact CG2-CG2 4.48Å; V112-A149 HydrophobicContact CG1-CB 3.25Å
113K59.2Low69.6Low204 Ų20484.7 Ų84.789%0.88745%0.445SS*.  trans-76.6113173.9-68-165.6177.4-177.80108.6
114F61.4Low70Confident50 Ų5091.6 Ų91.622%0.21947%0.471CS..  trans-87.7136.1171.2-62.2-83000110.1F107 V112 F122 A149F107-F114 HydrophobicContact CD1-CE2 4.24Å; F107-F114 AromaticContact CD1-CZ 3.91Å; F107-F114 HydrophobicContact CD1-CZ 3.91Å; F107-F114 HydrophobicContact CE1-CE2 4.42Å; F107-F114 AromaticContact CE1-CZ 3.72Å; F107-F114 HydrophobicContact CE1-CZ 3.72Å; V112-F114 HydrophobicContact CB-CE2 4.17Å; V112-F114 HydrophobicContact CB-CZ 4.31Å; V112-F114 HydrophobicContact CG1-CD1 4.47Å; V112-F114 HydrophobicContact CG1-CD2 4.35Å; V112-F114 HydrophobicContact CG1-CE1 3.92Å; V112-F114 HydrophobicContact CG1-CE2 3.77Å; V112-F114 HydrophobicContact CG1-CZ 3.55Å; V112-F114 WeakPolarHBondContact O-CD2 3.32Å; V112-F114 PolarHBondContact O-N 3.33Å; F114-F122 HydrophobicContact CD1-CD2 4.25Å; F114-F122 HydrophobicContact CE1-CB 4.36Å; F114-F122 AromaticContact CE1-CD2 3.27Å; F114-F122 HydrophobicContact CE1-CD2 3.27Å; F114-F122 AromaticContact CE1-CE2 3.56Å; F114-F122 HydrophobicContact CE1-CE2 3.56Å; F114-F122 AromaticContact CE1-CG 3.89Å; F114-F122 HydrophobicContact CE1-CG 3.89Å; F114-F122 HydrophobicContact CE1-CZ 4.43Å; F114-F122 HydrophobicContact CE2-CE2 4.23Å; F114-F122 HydrophobicContact CE2-CZ 4.38Å; F114-F122 HydrophobicContact CZ-CD1 4.48Å; F114-F122 AromaticContact CZ-CD2 3.44Å; F114-F122 HydrophobicContact CZ-CD2 3.44Å; F114-F122 VanDerWaalsContact CZ-CD2 3.44Å; F114-F122 HydrophobicContact CZ-CE1 4.35Å; F114-F122 AromaticContact CZ-CE2 3.2Å; F114-F122 HydrophobicContact CZ-CE2 3.2Å; F114-F122 HydrophobicContact CZ-CG 4.08Å; F114-F122 AromaticContact CZ-CZ 3.74Å; F114-F122 HydrophobicContact CZ-CZ 3.74Å; F114-A149 HydrophobicContact CD1-CB 4.05Å; F114-A149 HydrophobicContact CE1-CB 3.53Å; F114-A149 HydrophobicContact CZ-CB 4.22Å
115S64.6Low70.3Confident31 Ų3191.8 Ų91.822%0.21747%0.472CS..  trans-67.5150.2158.2-167.70000109.8E117 C118 K119 S157S115-E117 VanDerWaalsContact C-N 3.27Å; S115-E117 PolarHBondContact O-N 3.04Å; S115-C118 PolarHBondContact O-N 3.45Å; S115-C118 VanDerWaalsContact O-N 3.12Å; S115-K119 PolarHBondContact O-N 3.49Å; S115-S157 WeakPolarHBondContact CB-O 3.34Å; S115-S157 WeakPolarHBondContact CB-OG 3.5Å; S115-S157 PolarHBondContact OG-O 2.87Å; S115-S157 PolarHBondContact OG-OG 3.07Å
116S67.8Low70.6Confident95 Ų9585.4 Ų85.466%0.66444%0.442SS*.Hα-helixtrans-59.5-36.1-174.146.60000112.9K119S116-K119 PolarHBondContact O-N 2.97Å
117E66.2Low70.9Confident152 Ų15282.8 Ų82.871%0.7143%0.43SS*.Hα-helixtrans-61-41.8175.5-71.8-85.8144.900112S115S115-E117 VanDerWaalsContact C-N 3.27Å; S115-E117 PolarHBondContact O-N 3.04Å
118C71.1Confident71.2Confident8 Ų886.5 Ų86.55%0.05445%0.454CS..Hα-helixtrans-77.8-22.4-177-177.40000113.1S115 T120 H121 F122 C154S115-C118 PolarHBondContact O-N 3.45Å; S115-C118 VanDerWaalsContact O-N 3.12Å; C118-T120 VanDerWaalsContact C-N 3.3Å; C118-T120 PolarHBondContact O-N 2.96Å; C118-H121 PolarHBondContact O-N 3.01Å; C118-F122 VanDerWaalsContact O-CB 3.32Å; C118-F122 WeakPolarHBondContact O-CB 3.28Å; C118-F122 PolarHBondContact O-N 3.39Å; C118-C154 HydrophobicContact CB-CB 3.58Å; C118-C154 WeakPolarHBondContact CB-SG 3.39Å; C118-C154 WeakPolarHBondContact SG-CB 3.4Å; C118-C154 CovalentContact SG-SG 2.03Å; C118-C154 PolarHBondContact SG-SG 3.07Å
119K73.3Confident71.9Confident143 Ų14385.8 Ų85.862%0.62244%0.442SS*.Hα-helixtrans-60.6-37.8-177.9-169.8178.7-179.9-179.30112.6S115 S116 F122 H123S115-K119 PolarHBondContact O-N 3.49Å; S116-K119 PolarHBondContact O-N 2.97Å; K119-F122 WeakPolarHBondContact O-CB 3.31Å; K119-H123 WeakPolarHBondContact O-CB 3.34Å; K119-H123 PolarHBondContact O-N 3.29Å
120T77.5Confident72.1Confident108 Ų10891.6 Ų91.666%0.66345%0.445SS*.Hα-helixtrans-70-42.1178.7-52.70000111.5C118 F122 H123 R124C118-T120 VanDerWaalsContact C-N 3.3Å; C118-T120 PolarHBondContact O-N 2.96Å; T120-F122 VanDerWaalsContact C-N 3.34Å; T120-H123 PolarHBondContact O-N 3.28Å; T120-R124 WeakPolarHBondContact O-CB 3.31Å; T120-R124 PolarHBondContact O-N 3.29Å
121H75.4Confident72.3Confident111 Ų11192.8 Ų92.851%0.51445%0.445SS..Hα-helixtrans-65.9-39.7176.5-169.5-112.9000111.5C118 R124 L125C118-H121 PolarHBondContact O-N 3.01Å; H121-R124 PolarHBondContact O-N 3.46Å; H121-L125 WeakPolarHBondContact O-CB 3.39Å; H121-L125 PolarHBondContact O-N 3.34Å
122F78.8Confident72.9Confident15 Ų1583.1 Ų83.17%0.06640%0.401CS..Hα-helixtrans-58.7-50.5172.7177.5-87.7000112.1I104 F107 F114 C118 K119 T120 R124 L125 Y126 L145I104-F122 HydrophobicContact CD1-CD1 4.46Å; I104-F122 HydrophobicContact CD1-CE1 3.85Å; I104-F122 HydrophobicContact CG1-CE1 3.96Å; F107-F122 AromaticContact CD1-CE2 3.7Å; F107-F122 HydrophobicContact CD1-CE2 3.7Å; F107-F122 AromaticContact CD1-CZ 3.44Å; F107-F122 HydrophobicContact CD1-CZ 3.44Å; F107-F122 VanDerWaalsContact CD1-CZ 3.44Å; F107-F122 AromaticContact CE1-CE2 3.55Å; F107-F122 HydrophobicContact CE1-CE2 3.55Å; F107-F122 AromaticContact CE1-CZ 3.82Å; F107-F122 HydrophobicContact CE1-CZ 3.82Å; F107-F122 HydrophobicContact CG-CZ 4.29Å; F114-F122 HydrophobicContact CD1-CD2 4.25Å; F114-F122 HydrophobicContact CE1-CB 4.36Å; F114-F122 AromaticContact CE1-CD2 3.27Å; F114-F122 HydrophobicContact CE1-CD2 3.27Å; F114-F122 AromaticContact CE1-CE2 3.56Å; F114-F122 HydrophobicContact CE1-CE2 3.56Å; F114-F122 AromaticContact CE1-CG 3.89Å; F114-F122 HydrophobicContact CE1-CG 3.89Å; F114-F122 HydrophobicContact CE1-CZ 4.43Å; F114-F122 HydrophobicContact CE2-CE2 4.23Å; F114-F122 HydrophobicContact CE2-CZ 4.38Å; F114-F122 HydrophobicContact CZ-CD1 4.48Å; F114-F122 AromaticContact CZ-CD2 3.44Å; F114-F122 HydrophobicContact CZ-CD2 3.44Å; F114-F122 VanDerWaalsContact CZ-CD2 3.44Å; F114-F122 HydrophobicContact CZ-CE1 4.35Å; F114-F122 AromaticContact CZ-CE2 3.2Å; F114-F122 HydrophobicContact CZ-CE2 3.2Å; F114-F122 HydrophobicContact CZ-CG 4.08Å; F114-F122 AromaticContact CZ-CZ 3.74Å; F114-F122 HydrophobicContact CZ-CZ 3.74Å; C118-F122 VanDerWaalsContact O-CB 3.32Å; C118-F122 WeakPolarHBondContact O-CB 3.28Å; C118-F122 PolarHBondContact O-N 3.39Å; K119-F122 WeakPolarHBondContact O-CB 3.31Å; T120-F122 VanDerWaalsContact C-N 3.34Å; F122-R124 VanDerWaalsContact C-N 3.35Å; F122-R124 PolarHBondContact O-N 3.17Å; F122-L125 PolarHBondContact O-N 3.47Å; F122-Y126 VanDerWaalsContact O-CB 3.31Å; F122-Y126 WeakPolarHBondContact O-CB 3.4Å; F122-Y126 PolarHBondContact O-N 3Å; F122-L145 HydrophobicContact CD2-CB 4.41Å; F122-L145 HydrophobicContact CD2-CD2 3.7Å; F122-L145 HydrophobicContact CD2-CG 4.47Å; F122-L145 HydrophobicContact CE2-CB 3.69Å; F122-L145 HydrophobicContact CE2-CD1 3.86Å; F122-L145 HydrophobicContact CE2-CD2 3.55Å; F122-L145 HydrophobicContact CE2-CG 3.87Å; F122-L145 HydrophobicContact CG-CD2 4.45Å; F122-L145 HydrophobicContact CZ-CB 4.43Å; F122-L145 HydrophobicContact CZ-CD1 3.83Å; F122-L145 HydrophobicContact CZ-CD2 4.15Å; F122-L145 HydrophobicContact CZ-CG 4.35Å
123H79.1Confident73.3Confident105 Ų10583.2 Ų83.249%0.48640%0.403SS..Hα-helixtrans-60-45.9178.4-171.1-90.7000111K119 T120 L125 Y126 H127K119-H123 WeakPolarHBondContact O-CB 3.34Å; K119-H123 PolarHBondContact O-N 3.29Å; T120-H123 PolarHBondContact O-N 3.28Å; H123-L125 PolarHBondContact O-N 3.39Å; H123-Y126 PolarHBondContact O-N 2.86Å; H123-H127 AromaticContact CD2-CD2 3.94Å; H123-H127 AromaticContact CD2-NE2 3.86Å; H123-H127 AromaticContact CE1-CD2 3.38Å; H123-H127 PolarHBondContact CE1-CD2 3.5Å; H123-H127 AromaticContact CE1-NE2 3.54Å; H123-H127 AromaticContact CG-CD2 3.94Å; H123-H127 AromaticContact ND1-CD2 3.6Å; H123-H127 AromaticContact NE2-CD2 3.62Å; H123-H127 AromaticContact NE2-NE2 3.34Å; H123-H127 PolarHBondContact NE2-NE2 2.88Å; H123-H127 PolarHBondContact O-CD2 3.34Å; H123-H127 PolarHBondContact O-N 3.08Å
124R82.2Confident74.1Confident182 Ų18280.9 Ų80.969%0.68739%0.388SS*.Hα-helixtrans-59.7-48.8177.3-174.4177.8-179.5174.30.6112T120 H121 F122 Y126 H127 T128T120-R124 WeakPolarHBondContact O-CB 3.31Å; T120-R124 PolarHBondContact O-N 3.29Å; H121-R124 PolarHBondContact O-N 3.46Å; F122-R124 VanDerWaalsContact C-N 3.35Å; F122-R124 PolarHBondContact O-N 3.17Å; R124-Y126 VanDerWaalsContact C-N 3.3Å; R124-Y126 PolarHBondContact O-N 2.96Å; R124-H127 PolarHBondContact O-N 3.09Å; R124-T128 VanDerWaalsContact O-CB 3.22Å; R124-T128 WeakPolarHBondContact O-CB 3.09Å; R124-T128 PolarHBondContact O-N 2.95Å; R124-T128 PolarHBondContact O-OG1 3.24Å
125L80.1Confident74.7Confident42 Ų4282 Ų8222%0.2240%0.4CS..Hα-helixtrans-63.2-40.9-179.1-175.569.7000111.5H121 F122 H123 H127 T128 T129 L144 L145 L148H121-L125 WeakPolarHBondContact O-CB 3.39Å; H121-L125 PolarHBondContact O-N 3.34Å; F122-L125 PolarHBondContact O-N 3.47Å; H123-L125 PolarHBondContact O-N 3.39Å; L125-H127 PolarHBondContact O-N 2.93Å; L125-T128 PolarHBondContact O-N 3.44Å; L125-T129 VanDerWaalsContact CD1-OG1 3.23Å; L125-T129 WeakPolarHBondContact CD1-OG1 3.48Å; L125-T129 VanDerWaalsContact O-CB 3.24Å; L125-T129 WeakPolarHBondContact O-CB 3.36Å; L125-T129 PolarHBondContact O-N 3.41Å; L125-T129 PolarHBondContact O-OG1 3.3Å; L125-L144 HydrophobicContact CD2-CD2 4.24Å; L125-L144 HydrophobicContact CD2-CG 4.48Å; L125-L145 HydrophobicContact CD2-CD2 4.19Å; L125-L148 HydrophobicContact CD2-CD1 2.99Å; L125-L148 HydrophobicContact CD2-CG 4.48Å; L125-L148 HydrophobicContact CG-CD1 4.48Å
126Y79.2Confident75.4Confident0 Ų084.7 Ų84.70%043%0.425CS..Hα-helixtrans-60.9-44.3178.1-178-110.5000113.1K100 F103 I104 F122 H123 R124 C132 L145K100-Y126 WeakPolarHBondContact CA-OH 3.39Å; K100-Y126 HydrophobicContact CB-CE1 4.37Å; K100-Y126 HydrophobicContact CD-CE1 3.89Å; K100-Y126 VanDerWaalsContact CE-CD1 3.47Å; K100-Y126 VanDerWaalsContact CE-O 3.28Å; K100-Y126 WeakPolarHBondContact CE-O 3.5Å; K100-Y126 HydrophobicContact CG-CD1 4.29Å; K100-Y126 HydrophobicContact CG-CE1 3.25Å; K100-Y126 HydrophobicContact CG-CE2 4.29Å; K100-Y126 WeakPolarHBondContact CG-OH 3.17Å; K100-Y126 PolarHBondContact NZ-O 3.38Å; K100-Y126 PolarHBondContact O-OH 3.48Å; F103-Y126 HydrophobicContact CD1-CD2 4.49Å; F103-Y126 AromaticContact CD1-CE2 3.48Å; F103-Y126 HydrophobicContact CD1-CE2 3.48Å; F103-Y126 VanDerWaalsContact CD1-CE2 3.48Å; F103-Y126 AromaticContact CD1-CZ 3.78Å; F103-Y126 WeakPolarHBondContact CD1-OH 3.41Å; F103-Y126 HydrophobicContact CE1-CD2 4.46Å; F103-Y126 AromaticContact CE1-CE2 3.76Å; F103-Y126 HydrophobicContact CE1-CE2 3.76Å; I104-Y126 HydrophobicContact CB-CE1 4.29Å; I104-Y126 HydrophobicContact CD1-CD1 3Å; I104-Y126 HydrophobicContact CD1-CD2 4.21Å; I104-Y126 HydrophobicContact CD1-CE1 3.32Å; I104-Y126 HydrophobicContact CD1-CG 3.44Å; I104-Y126 VanDerWaalsContact CD1-CG 3.44Å; I104-Y126 HydrophobicContact CG1-CD1 3.56Å; I104-Y126 HydrophobicContact CG1-CD2 4.14Å; I104-Y126 HydrophobicContact CG1-CE1 3.36Å; I104-Y126 HydrophobicContact CG1-CE2 4.06Å; I104-Y126 HydrophobicContact CG1-CG 3.87Å; F122-Y126 VanDerWaalsContact O-CB 3.31Å; F122-Y126 WeakPolarHBondContact O-CB 3.4Å; F122-Y126 PolarHBondContact O-N 3Å; H123-Y126 PolarHBondContact O-N 2.86Å; R124-Y126 VanDerWaalsContact C-N 3.3Å; R124-Y126 PolarHBondContact O-N 2.96Å; Y126-C132 HydrophobicContact CD2-CB 3.66Å; Y126-C132 HydrophobicContact CE2-CB 3.85Å; Y126-C132 HydrophobicContact CG-CB 4.46Å; Y126-C132 VanDerWaalsContact O-CB 3.27Å; Y126-C132 WeakPolarHBondContact O-CB 3.25Å; Y126-L145 HydrophobicContact CD2-CD1 3.97Å
127H80.8Confident75.9Confident82 Ų8285.5 Ų85.538%0.3841%0.414SS..Hα-helixtrans-74.9-28.3178-72.8-76.4000113H123 R124 L125H123-H127 AromaticContact CD2-CD2 3.94Å; H123-H127 AromaticContact CD2-NE2 3.86Å; H123-H127 AromaticContact CE1-CD2 3.38Å; H123-H127 PolarHBondContact CE1-CD2 3.5Å; H123-H127 AromaticContact CE1-NE2 3.54Å; H123-H127 AromaticContact CG-CD2 3.94Å; H123-H127 AromaticContact ND1-CD2 3.6Å; H123-H127 AromaticContact NE2-CD2 3.62Å; H123-H127 AromaticContact NE2-NE2 3.34Å; H123-H127 PolarHBondContact NE2-NE2 2.88Å; H123-H127 PolarHBondContact O-CD2 3.34Å; H123-H127 PolarHBondContact O-N 3.08Å; R124-H127 PolarHBondContact O-N 3.09Å; L125-H127 PolarHBondContact O-N 2.93Å
128T81.3Confident76.5Confident102 Ų10279.8 Ų79.863%0.62639%0.386SS*.Hα-helixtrans-86.7-30.1-176.2-51.50000113.4R124 L125R124-T128 VanDerWaalsContact O-CB 3.22Å; R124-T128 WeakPolarHBondContact O-CB 3.09Å; R124-T128 PolarHBondContact O-N 2.95Å; R124-T128 PolarHBondContact O-OG1 3.24Å; L125-T128 PolarHBondContact O-N 3.44Å
129T79.3Confident76.9Confident28 Ų2886.5 Ų86.517%0.17242%0.415CS..  trans-81.9130.1-172.3-520000111.9L125 D131 C132 S133L125-T129 VanDerWaalsContact CD1-OG1 3.23Å; L125-T129 WeakPolarHBondContact CD1-OG1 3.48Å; L125-T129 VanDerWaalsContact O-CB 3.24Å; L125-T129 WeakPolarHBondContact O-CB 3.36Å; L125-T129 PolarHBondContact O-N 3.41Å; L125-T129 PolarHBondContact O-OG1 3.3Å; T129-D131 VanDerWaalsContact C-N 3.31Å; T129-D131 HydrophobicContact CG2-CB 3.99Å; T129-D131 PolarHBondContact O-N 2.97Å; T129-C132 PolarHBondContact O-N 3.38Å; T129-C132 VanDerWaalsContact O-N 3.1Å; T129-S133 PolarHBondContact O-OG 2.97Å
130R70.2Confident77.4Confident207 Ų20787.7 Ų87.778%0.78142%0.415SS*.G310 helixtrans-64-34.5178.4-63.7-178.4821563.3112.6C132 S133R130-C132 PolarHBondContact O-N 3.08Å; R130-S133 WeakPolarHBondContact O-CB 3.29Å; R130-S133 PolarHBondContact O-N 2.93Å
131D68.7Low77.5Confident51 Ų5182.5 Ų82.527%0.27338%0.384SS..G310 helixtrans-62.1-24174.7-69-18.9000112.9T129 S133 Y137T129-D131 VanDerWaalsContact C-N 3.31Å; T129-D131 HydrophobicContact CG2-CB 3.99Å; T129-D131 PolarHBondContact O-N 2.97Å; D131-S133 VanDerWaalsContact C-N 3.35Å; D131-Y137 CarbonylContact O-C 3.54Å; D131-Y137 VanDerWaalsContact O-CB 3.29Å; D131-Y137 WeakPolarHBondContact O-CB 3.22Å
132C70.1Confident77.9Confident0 Ų078.3 Ų78.30%037%0.368CS..G310 helixtrans-94.18177.4-58.70000112.8K100 Y126 T129 R130 C141K100-C132 WeakPolarHBondContact CD-O 3.32Å; K100-C132 WeakPolarHBondContact CE-O 3.49Å; K100-C132 PolarHBondContact NZ-O 3.44Å; Y126-C132 HydrophobicContact CD2-CB 3.66Å; Y126-C132 HydrophobicContact CE2-CB 3.85Å; Y126-C132 HydrophobicContact CG-CB 4.46Å; Y126-C132 VanDerWaalsContact O-CB 3.27Å; Y126-C132 WeakPolarHBondContact O-CB 3.25Å; T129-C132 PolarHBondContact O-N 3.38Å; T129-C132 VanDerWaalsContact O-N 3.1Å; R130-C132 PolarHBondContact O-N 3.08Å; C132-C141 VanDerWaalsContact CA-SG 3.57Å; C132-C141 HydrophobicContact CB-CB 4.02Å; C132-C141 WeakPolarHBondContact CB-SG 3.39Å; C132-C141 WeakPolarHBondContact SG-CB 3.41Å; C132-C141 CovalentContact SG-SG 2.04Å; C132-C141 PolarHBondContact SG-SG 3.36Å
133S73.8Confident78.1Confident31 Ų3184.5 Ų84.522%0.21739%0.391CS..SBendtrans-115.4-4.3-177.6-55.80000113.4K100 T129 R130 D131K100-S133 PolarHBondContact NZ-OG 3.21Å; T129-S133 PolarHBondContact O-OG 2.97Å; R130-S133 WeakPolarHBondContact O-CB 3.29Å; R130-S133 PolarHBondContact O-N 2.93Å; D131-S133 VanDerWaalsContact C-N 3.35Å
134R76.1Confident78.3Confident156 Ų15682.7 Ų82.759%0.58938%0.384SS*.SBendtrans-127.9125.8-178.9-93.3-176.4158.1147.9-2.2110A136 Y137 Y138R134-A136 PolarHBondContact O-N 3.26Å; R134-A136 VanDerWaalsContact O-N 3.12Å; R134-Y137 HydrophobicContact CB-CD2 3.64Å; R134-Y137 HydrophobicContact CB-CE2 4.17Å; R134-Y137 PolarHBondContact O-N 2.9Å; R134-Y138 WeakPolarHBondContact O-CD1 3.29Å; R134-Y138 WeakPolarHBondContact O-CE1 3.29Å
135P72.7Confident78.2Confident72 Ų7274 Ų7447%0.46835%0.352SS..G310 helixtrans-53.7-37.3-176.4-27.333.5000113.8Y137 Y138P135-Y137 PolarHBondContact O-N 2.88Å; P135-Y138 PolarHBondContact O-N 3.35Å
136A79.9Confident78.3Confident89 Ų8974 Ų7474%0.73635%0.353SS*.G310 helixtrans-57.8-22.9177.700000114.1R134R134-A136 PolarHBondContact O-N 3.26Å; R134-A136 VanDerWaalsContact O-N 3.12Å
137Y79.1Confident78.4Confident112 Ų11282.9 Ų82.944%0.43939%0.387SS..G310 helixtrans-1103.7-177.3-55.2-62.6000113.8D131 R134 P135 K139 R140 C141D131-Y137 CarbonylContact O-C 3.54Å; D131-Y137 VanDerWaalsContact O-CB 3.29Å; D131-Y137 WeakPolarHBondContact O-CB 3.22Å; R134-Y137 HydrophobicContact CB-CD2 3.64Å; R134-Y137 HydrophobicContact CB-CE2 4.17Å; R134-Y137 PolarHBondContact O-N 2.9Å; P135-Y137 PolarHBondContact O-N 2.88Å; Y137-K139 VanDerWaalsContact C-N 3.27Å; Y137-K139 PolarHBondContact O-N 2.96Å; Y137-R140 WeakPolarHBondContact O-CA 3.45Å; Y137-R140 WeakPolarHBondContact O-CB 3.31Å; Y137-R140 PolarHBondContact O-N 3.5Å; Y137-C141 PolarHBondContact O-N 3.38Å
138Y77.5Confident78.2Confident32 Ų3281.2 Ų81.213%0.12538%0.381CS..Hα-helixtrans-59.7-33.8-177.8-76.73.2000113.4L99 F103 R134 P135 R140 C141 A142L99-Y138 HydrophobicContact CB-CE2 4.38Å; F103-Y138 HydrophobicContact CD2-CD2 4.22Å; F103-Y138 HydrophobicContact CD2-CG 4.45Å; R134-Y138 WeakPolarHBondContact O-CD1 3.29Å; R134-Y138 WeakPolarHBondContact O-CE1 3.29Å; P135-Y138 PolarHBondContact O-N 3.35Å; Y138-R140 VanDerWaalsContact C-N 3.3Å; Y138-R140 PolarHBondContact O-N 3.32Å; Y138-C141 PolarHBondContact O-N 2.89Å; Y138-A142 WeakPolarHBondContact O-CB 3.32Å; Y138-A142 PolarHBondContact O-N 2.89Å
139K80.3Confident78Confident149 Ų14976.9 Ų76.965%0.64836%0.355SS*.Hα-helixtrans-64.5-33.9174.7-167.1173.3-174.5175.60112.5Y137 R143Y137-K139 VanDerWaalsContact C-N 3.27Å; Y137-K139 PolarHBondContact O-N 2.96Å; K139-R143 VanDerWaalsContact O-CG 3.3Å; K139-R143 WeakPolarHBondContact O-CG 3.29Å; K139-R143 PolarHBondContact O-N 3.44Å
140R82.6Confident77.8Confident167 Ų16781 Ų8163%0.6337%0.374SS*.Hα-helixtrans-74.9-43.5174.9-179.9179.7-88.4-153.7-3110.7Y137 Y138 A142 R143 L144Y137-R140 WeakPolarHBondContact O-CA 3.45Å; Y137-R140 WeakPolarHBondContact O-CB 3.31Å; Y137-R140 PolarHBondContact O-N 3.5Å; Y138-R140 VanDerWaalsContact C-N 3.3Å; Y138-R140 PolarHBondContact O-N 3.32Å; R140-A142 PolarHBondContact O-N 3.02Å; R140-R143 PolarHBondContact O-N 3.47Å; R140-L144 PolarHBondContact O-N 3.43Å
141C81.1Confident78Confident0 Ų072.6 Ų72.60%035%0.347CS..Hα-helixtrans-56.9-48.6173.71770000111.1C132 Y137 Y138 R143 L144 L145C132-C141 VanDerWaalsContact CA-SG 3.57Å; C132-C141 HydrophobicContact CB-CB 4.02Å; C132-C141 WeakPolarHBondContact CB-SG 3.39Å; C132-C141 WeakPolarHBondContact SG-CB 3.41Å; C132-C141 CovalentContact SG-SG 2.04Å; C132-C141 PolarHBondContact SG-SG 3.36Å; Y137-C141 PolarHBondContact O-N 3.38Å; Y138-C141 PolarHBondContact O-N 2.89Å; C141-R143 VanDerWaalsContact C-N 3.33Å; C141-R143 PolarHBondContact O-N 3.32Å; C141-L144 WeakPolarHBondContact O-CB 3.33Å; C141-L144 PolarHBondContact O-N 3Å; C141-L144 VanDerWaalsContact O-N 3.14Å; C141-L145 VanDerWaalsContact O-CB 3.32Å; C141-L145 WeakPolarHBondContact O-CB 3.28Å; C141-L145 WeakPolarHBondContact O-CG 3.27Å; C141-L145 PolarHBondContact O-N 3.45Å; C141-L145 WeakPolarHBondContact SG-CD1 3.2Å
142A82.8Confident78Confident22 Ų2274.1 Ų74.118%0.18236%0.359CS..Hα-helixtrans-52.5-49.2175.600000112.1F103 F107 Y138 R140 L144 L145 T146F103-A142 HydrophobicContact CE2-CB 4.03Å; F103-A142 HydrophobicContact CZ-CB 3.7Å; F107-A142 HydrophobicContact CD2-CB 4.41Å; F107-A142 HydrophobicContact CE2-CB 3.94Å; Y138-A142 WeakPolarHBondContact O-CB 3.32Å; Y138-A142 PolarHBondContact O-N 2.89Å; R140-A142 PolarHBondContact O-N 3.02Å; A142-L144 PolarHBondContact O-N 3.43Å; A142-L145 PolarHBondContact O-N 3.03Å; A142-T146 PolarHBondContact O-N 3.25Å; A142-T146 PolarHBondContact O-OG1 3.02Å
143R84.6Confident77.7Confident145 Ų14581.1 Ų81.155%0.54740%0.396SS..Hα-helixtrans-62.9-40.6179.3-71.3170176.8-177.2-3112.8K139 R140 C141 R147K139-R143 VanDerWaalsContact O-CG 3.3Å; K139-R143 WeakPolarHBondContact O-CG 3.29Å; K139-R143 PolarHBondContact O-N 3.44Å; R140-R143 PolarHBondContact O-N 3.47Å; C141-R143 VanDerWaalsContact C-N 3.33Å; C141-R143 PolarHBondContact O-N 3.32Å; R143-R147 VanDerWaalsContact O-CG 3.31Å; R143-R147 WeakPolarHBondContact O-CG 3.45Å; R143-R147 PolarHBondContact O-N 3.2Å; R143-R147 VanDerWaalsContact O-N 3.11Å
144L82.4Confident77.3Confident68 Ų6880.3 Ų80.336%0.35639%0.39SS..Hα-helixtrans-63-47.517617865.5000110.5L125 R140 C141 A142 R147 L148L125-L144 HydrophobicContact CD2-CD2 4.24Å; L125-L144 HydrophobicContact CD2-CG 4.48Å; R140-L144 PolarHBondContact O-N 3.43Å; C141-L144 WeakPolarHBondContact O-CB 3.33Å; C141-L144 PolarHBondContact O-N 3Å; C141-L144 VanDerWaalsContact O-N 3.14Å; A142-L144 PolarHBondContact O-N 3.43Å; L144-R147 PolarHBondContact O-N 3.37Å; L144-L148 HydrophobicContact CD1-CD1 4.46Å; L144-L148 HydrophobicContact CG-CD1 4.22Å; L144-L148 WeakPolarHBondContact O-CG 3.2Å; L144-L148 PolarHBondContact O-N 2.97Å
145L80.4Confident76.7Confident0 Ų079.7 Ų79.70%040%0.396CS..Hα-helixtrans-63.4-41179.6-73.4178.1000112.5F103 F107 F122 L125 Y126 C141 A142 L148 A149F103-L145 HydrophobicContact CE1-CD1 3.8Å; F103-L145 HydrophobicContact CZ-CD1 4.4Å; F107-L145 HydrophobicContact CE1-CB 3.87Å; F107-L145 HydrophobicContact CE2-CB 4.25Å; F107-L145 HydrophobicContact CZ-CB 3.59Å; F122-L145 HydrophobicContact CD2-CB 4.41Å; F122-L145 HydrophobicContact CD2-CD2 3.7Å; F122-L145 HydrophobicContact CD2-CG 4.47Å; F122-L145 HydrophobicContact CE2-CB 3.69Å; F122-L145 HydrophobicContact CE2-CD1 3.86Å; F122-L145 HydrophobicContact CE2-CD2 3.55Å; F122-L145 HydrophobicContact CE2-CG 3.87Å; F122-L145 HydrophobicContact CG-CD2 4.45Å; F122-L145 HydrophobicContact CZ-CB 4.43Å; F122-L145 HydrophobicContact CZ-CD1 3.83Å; F122-L145 HydrophobicContact CZ-CD2 4.15Å; F122-L145 HydrophobicContact CZ-CG 4.35Å; L125-L145 HydrophobicContact CD2-CD2 4.19Å; Y126-L145 HydrophobicContact CD2-CD1 3.97Å; C141-L145 VanDerWaalsContact O-CB 3.32Å; C141-L145 WeakPolarHBondContact O-CB 3.28Å; C141-L145 WeakPolarHBondContact O-CG 3.27Å; C141-L145 PolarHBondContact O-N 3.45Å; C141-L145 WeakPolarHBondContact SG-CD1 3.2Å; A142-L145 PolarHBondContact O-N 3.03Å; L145-L148 PolarHBondContact O-N 3.31Å; L145-A149 PolarHBondContact O-N 3.31Å
146T82.4Confident75.9Confident41 Ų4184.1 Ų84.125%0.25241%0.41SS..Hα-helixtrans-65.3-41.7176-49.50000110.7F107 V112 A142 L148 A149 M150F107-T146 VanDerWaalsContact CZ-OG1 3.28Å; F107-T146 WeakPolarHBondContact CZ-OG1 3.22Å; V112-T146 HydrophobicContact CG2-CG2 4.48Å; A142-T146 PolarHBondContact O-N 3.25Å; A142-T146 PolarHBondContact O-OG1 3.02Å; T146-L148 VanDerWaalsContact C-N 3.29Å; T146-L148 PolarHBondContact O-N 3.07Å; T146-A149 PolarHBondContact O-N 3.47Å; T146-M150 HydrophobicContact CG2-CE 3.75Å; T146-M150 HydrophobicContact CG2-SD 4.09Å; T146-M150 WeakPolarHBondContact O-CG 3.35Å; T146-M150 PolarHBondContact O-N 3.23Å
147R81.3Confident74.4Confident186 Ų18684.6 Ų84.670%0.70241%0.408SS*.Hα-helixtrans-62.5-36.9176.8-76177.1-175.2-171.2-0.1112.6R143 L144 M150 S151R143-R147 VanDerWaalsContact O-CG 3.31Å; R143-R147 WeakPolarHBondContact O-CG 3.45Å; R143-R147 PolarHBondContact O-N 3.2Å; R143-R147 VanDerWaalsContact O-N 3.11Å; L144-R147 PolarHBondContact O-N 3.37Å; R147-M150 CarbonylContact O-C 3.57Å; R147-M150 PolarHBondContact O-N 3.39Å; R147-S151 PolarHBondContact O-N 2.93Å
148L76.9Confident74.1Confident48 Ų4883.2 Ų83.225%0.25141%0.406SS..Hα-helixtrans-70.2-40175.8-73.1165000111.9L125 L144 L145 T146 M150 S151 C154L125-L148 HydrophobicContact CD2-CD1 2.99Å; L125-L148 HydrophobicContact CD2-CG 4.48Å; L125-L148 HydrophobicContact CG-CD1 4.48Å; L144-L148 HydrophobicContact CD1-CD1 4.46Å; L144-L148 HydrophobicContact CG-CD1 4.22Å; L144-L148 WeakPolarHBondContact O-CG 3.2Å; L144-L148 PolarHBondContact O-N 2.97Å; L145-L148 PolarHBondContact O-N 3.31Å; T146-L148 VanDerWaalsContact C-N 3.29Å; T146-L148 PolarHBondContact O-N 3.07Å; L148-M150 VanDerWaalsContact C-N 3.25Å; L148-M150 PolarHBondContact O-N 3.2Å; L148-S151 WeakPolarHBondContact O-CB 3.36Å; L148-S151 PolarHBondContact O-N 3.4Å; L148-S151 VanDerWaalsContact O-N 3.1Å; L148-C154 WeakPolarHBondContact O-CB 3.39Å; L148-C154 PolarHBondContact O-SG 2.92Å; L148-C154 VanDerWaalsContact O-SG 3.34Å
149A75.2Confident74Confident10 Ų1085.9 Ų85.98%0.08342%0.421CS..Hα-helixtrans-62.2-34.7175.400000112.6V112 F114 L145 T146V112-A149 HydrophobicContact CG1-CB 3.25Å; F114-A149 HydrophobicContact CD1-CB 4.05Å; F114-A149 HydrophobicContact CE1-CB 3.53Å; F114-A149 HydrophobicContact CZ-CB 4.22Å; L145-A149 PolarHBondContact O-N 3.31Å; T146-A149 PolarHBondContact O-N 3.47Å
150M75.7Confident73.6Confident116 Ų11682.4 Ų82.457%0.57141%0.408SS*.THydrogen-bonded Turntrans-90.32.7176.5-59.7-178.7-53.400113.3T146 R147 L148T146-M150 HydrophobicContact CG2-CE 3.75Å; T146-M150 HydrophobicContact CG2-SD 4.09Å; T146-M150 WeakPolarHBondContact O-CG 3.35Å; T146-M150 PolarHBondContact O-N 3.23Å; R147-M150 CarbonylContact O-C 3.57Å; R147-M150 PolarHBondContact O-N 3.39Å; L148-M150 VanDerWaalsContact C-N 3.25Å; L148-M150 PolarHBondContact O-N 3.2Å
151S74.2Confident73.1Confident30 Ų3077.4 Ų77.421%0.2140%0.395CS..SBendtrans-71.8145.7176.5-178.10000109.5R147 L148 L153 C154 M155R147-S151 PolarHBondContact O-N 2.93Å; L148-S151 WeakPolarHBondContact O-CB 3.36Å; L148-S151 PolarHBondContact O-N 3.4Å; L148-S151 VanDerWaalsContact O-N 3.1Å; S151-L153 PolarHBondContact O-N 2.96Å; S151-C154 PolarHBondContact O-N 2.92Å; S151-M155 PolarHBondContact O-N 3.09Å; S151-M155 VanDerWaalsContact O-N 3.11Å
152P68.2Low72.6Confident82 Ų8282.3 Ų82.353%0.53242%0.42SS..Hα-helixtrans-53-31.817620.1-33000112.5C154 M155 Q156P152-C154 PolarHBondContact O-N 3.41Å; P152-C154 VanDerWaalsContact O-N 3.13Å; P152-M155 PolarHBondContact O-N 2.94Å; P152-Q156 WeakPolarHBondContact O-CB 3.49Å; P152-Q156 PolarHBondContact O-N 3.32Å
153L65.5Low71.9Confident147 Ų14786.3 Ų86.377%0.7744%0.436SS*.Hα-helixtrans-58.7-25.2175.2-63.6173.3000114.4S151S151-L153 PolarHBondContact O-N 2.96Å
154C63.9Low71Confident15 Ų1582.1 Ų82.110%0.10143%0.428CS..Hα-helixtrans-109.6-13.6-179.9-69.30000113.5C118 L148 S151 P152C118-C154 HydrophobicContact CB-CB 3.58Å; C118-C154 WeakPolarHBondContact CB-SG 3.39Å; C118-C154 WeakPolarHBondContact SG-CB 3.4Å; C118-C154 CovalentContact SG-SG 2.03Å; C118-C154 PolarHBondContact SG-SG 3.07Å; L148-C154 WeakPolarHBondContact O-CB 3.39Å; L148-C154 PolarHBondContact O-SG 2.92Å; L148-C154 VanDerWaalsContact O-SG 3.34Å; S151-C154 PolarHBondContact O-N 2.92Å; P152-C154 PolarHBondContact O-N 3.41Å; P152-C154 VanDerWaalsContact O-N 3.13Å
155M63.8Low70.1Confident143 Ų14383.2 Ų83.270%0.70443%0.433SS*.Hα-helixtrans-94.1-19.2174.6-68.8-175.364.300113.2S151 P152 S157S151-M155 PolarHBondContact O-N 3.09Å; S151-M155 VanDerWaalsContact O-N 3.11Å; P152-M155 PolarHBondContact O-N 2.94Å; M155-S157 VanDerWaalsContact C-N 3.34Å
156Q56.5Low69.3Low164 Ų16490.1 Ų90.177%0.76647%0.47SS*.  trans-92.713.6-172.5-165167.41.500113.8P152P152-Q156 WeakPolarHBondContact O-CB 3.49Å; P152-Q156 PolarHBondContact O-N 3.32Å
157S47.5Very low68.1Low99 Ų9994.5 Ų94.569%0.69249%0.489SS*.  trans-120.40177.261.70000111.7S115 M155S115-S157 WeakPolarHBondContact CB-O 3.34Å; S115-S157 WeakPolarHBondContact CB-OG 3.5Å; S115-S157 PolarHBondContact OG-O 2.87Å; S115-S157 PolarHBondContact OG-OG 3.07Å; M155-S157 VanDerWaalsContact C-N 3.34Å

Retrieved 157 of 157 residues in 75.7 ms (Link to these results)

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