A0A087YDM6_POEFO Loading...

Sorting nexin 19

AlphaFold DB , UniProt , Accession A0A087YDM6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 973 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
1M52.1Low55.9Low230 Ų230127.6 Ų127.6100%1.13368%0.683SS**  0-18.90-76.7-155.8-102.100114.3
2A51.4Low57.3Low83 Ų83120.4 Ų120.469%0.68666%0.662SS**  trans-66.6-42.1-174.300000115.4G4 M5A2-G4 VanDerWaalsContact C-N 3.32Å; A2-G4 PolarHBondContact O-N 2.83Å; A2-M5 PolarHBondContact O-N 3.43Å
3E51.6Low58.7Low180 Ų180117.9 Ų117.984%0.84165%0.646SS**Hα-helixtrans-63.7-34-171-66.3160.7126.400113.6M5 G6E3-M5 PolarHBondContact O-N 2.73Å; E3-M5 VanDerWaalsContact O-N 3.12Å; E3-G6 PolarHBondContact O-N 3.43Å
4G50.4Low59.6Low41 Ų41112.3 Ų112.342%0.42363%0.628SS.*Hα-helixtrans-66.5-11.1179.500000115.1A2 R8A2-G4 VanDerWaalsContact C-N 3.32Å; A2-G4 PolarHBondContact O-N 2.83Å; G4-R8 VanDerWaalsContact O-CD 3.31Å; G4-R8 WeakPolarHBondContact O-CD 3.37Å; G4-R8 WeakPolarHBondContact O-CG 3.42Å
5M52.1Low60.7Low144 Ų144111.5 Ų111.571%0.70963%0.627SS**Hα-helixtrans-89.4-37.6176-67.9179.565.500112.5A2 E3 R8 S9A2-M5 PolarHBondContact O-N 3.43Å; E3-M5 PolarHBondContact O-N 2.73Å; E3-M5 VanDerWaalsContact O-N 3.12Å; M5-R8 PolarHBondContact O-N 3.34Å; M5-S9 WeakPolarHBondContact O-CB 2.94Å; M5-S9 PolarHBondContact O-N 2.65Å
6G55.4Low61.4Low43 Ų43110.9 Ų110.944%0.44362%0.621SS.*Hα-helixtrans-62.3-46.9-18000000112.5E3 R8 S9 L10E3-G6 PolarHBondContact O-N 3.43Å; G6-R8 VanDerWaalsContact C-N 3.33Å; G6-R8 PolarHBondContact O-N 2.79Å; G6-S9 PolarHBondContact O-N 2.86Å; G6-L10 PolarHBondContact O-N 3.18Å
7Q55Low62.2Low148 Ų148110.6 Ų110.669%0.69262%0.617SS**Hα-helixtrans-65.6-34.9179.8-163174.416.900112.7M11Q7-M11 PolarHBondContact O-N 3.19Å
8R54.9Low62.8Low202 Ų202107.8 Ų107.876%0.76261%0.61SS**Hα-helixtrans-70.6-37174.4-70.5178.9-179.6-175.5-0.9112.3G4 M5 G6 G12G4-R8 VanDerWaalsContact O-CD 3.31Å; G4-R8 WeakPolarHBondContact O-CD 3.37Å; G4-R8 WeakPolarHBondContact O-CG 3.42Å; M5-R8 PolarHBondContact O-N 3.34Å; G6-R8 VanDerWaalsContact C-N 3.33Å; G6-R8 PolarHBondContact O-N 2.79Å; R8-G12 PolarHBondContact O-N 2.76Å
9S58.5Low63.5Low72 Ų72109.9 Ų109.950%0.50361%0.608SS.*Hα-helixtrans-64.5-44.8173-177.40000111.4M5 G6 G12 I13M5-S9 WeakPolarHBondContact O-CB 2.94Å; M5-S9 PolarHBondContact O-N 2.65Å; G6-S9 PolarHBondContact O-N 2.86Å; S9-G12 PolarHBondContact O-N 2.64Å; S9-G12 VanDerWaalsContact O-N 3.14Å; S9-I13 WeakPolarHBondContact O-CG1 3.05Å; S9-I13 PolarHBondContact O-N 3.22Å
10L65.6Low63.8Low127 Ų127108.7 Ų108.767%0.66560%0.599SS**Hα-helixtrans-61.2-43.1175.1-103157.4000113G6 I13 G14G6-L10 PolarHBondContact O-N 3.18Å; L10-I13 PolarHBondContact O-N 2.86Å; L10-G14 PolarHBondContact O-N 3.34Å
11M68.4Low64.1Low134 Ų134108.8 Ų108.866%0.6660%0.599SS**Hα-helixtrans-61.8-42.3171.3-76.4-175.670.500112.1Q7 I13 G14 V15Q7-M11 PolarHBondContact O-N 3.19Å; M11-I13 PolarHBondContact O-N 3.37Å; M11-G14 PolarHBondContact O-N 2.85Å; M11-V15 WeakPolarHBondContact O-CG2 3.42Å; M11-V15 PolarHBondContact O-N 3.42Å
12G72.4Confident64.9Low41 Ų41102.1 Ų102.142%0.42357%0.567SS.*Hα-helixtrans-60.8-43.1176.700000112.9R8 S9 V15 L16R8-G12 PolarHBondContact O-N 2.76Å; S9-G12 PolarHBondContact O-N 2.64Å; S9-G12 VanDerWaalsContact O-N 3.14Å; G12-V15 PolarHBondContact O-N 2.9Å; G12-L16 WeakPolarHBondContact O-CB 3.41Å; G12-L16 PolarHBondContact O-N 2.86Å
13I74.8Confident65.8Low88 Ų88103.5 Ų103.545%0.45156%0.558SS.*Hα-helixtrans-65.7-42.7175.4-67.1162.8000110.7S9 L10 M11 L16 L17S9-I13 WeakPolarHBondContact O-CG1 3.05Å; S9-I13 PolarHBondContact O-N 3.22Å; L10-I13 PolarHBondContact O-N 2.86Å; M11-I13 PolarHBondContact O-N 3.37Å; I13-L16 PolarHBondContact O-N 2.84Å; I13-L17 HydrophobicContact CG2-CD1 3.89Å; I13-L17 HydrophobicContact CG2-CG 4.39Å; I13-L17 WeakPolarHBondContact O-CB 3.35Å; I13-L17 WeakPolarHBondContact O-CG 3.34Å; I13-L17 PolarHBondContact O-N 2.86Å
14G72.1Confident66.4Low39 Ų39100.4 Ų100.440%0.40254%0.543SS..Hα-helixtrans-61.4-42.9175.500000113.1L10 M11 A18L10-G14 PolarHBondContact O-N 3.34Å; M11-G14 PolarHBondContact O-N 2.85Å; G14-A18 VanDerWaalsContact O-CB 3.31Å; G14-A18 WeakPolarHBondContact O-CB 3.39Å; G14-A18 PolarHBondContact O-N 2.8Å
15V75.5Confident66.7Low101 Ų10198.8 Ų98.861%0.61253%0.525SS*.Hα-helixtrans-66.7-40174.8170.70000111.4M11 G12 A18 W19M11-V15 WeakPolarHBondContact O-CG2 3.42Å; M11-V15 PolarHBondContact O-N 3.42Å; G12-V15 PolarHBondContact O-N 2.9Å; V15-A18 PolarHBondContact O-N 2.79Å; V15-W19 VanDerWaalsContact O-CB 3.29Å; V15-W19 WeakPolarHBondContact O-CB 3.29Å; V15-W19 PolarHBondContact O-N 2.91Å
16L72.8Confident67Low102 Ų10296.9 Ų96.953%0.53452%0.517SS..Hα-helixtrans-65.2-43.8176.6-167.977.1000111.7G12 I13 W19 L20G12-L16 WeakPolarHBondContact O-CB 3.41Å; G12-L16 PolarHBondContact O-N 2.86Å; I13-L16 PolarHBondContact O-N 2.84Å; L16-W19 PolarHBondContact O-N 3.11Å; L16-L20 HydrophobicContact CG-CD1 4.23Å; L16-L20 WeakPolarHBondContact O-CB 3.45Å; L16-L20 VanDerWaalsContact O-CG 3.3Å; L16-L20 WeakPolarHBondContact O-CG 3.22Å; L16-L20 PolarHBondContact O-N 2.85Å
17L74.9Confident67.3Low105 Ų10599.8 Ų99.855%0.5553%0.526SS..Hα-helixtrans-64.1-43.2175.6-74.2169.9000111.6I13 W19 L20 L21I13-L17 HydrophobicContact CG2-CD1 3.89Å; I13-L17 HydrophobicContact CG2-CG 4.39Å; I13-L17 WeakPolarHBondContact O-CB 3.35Å; I13-L17 WeakPolarHBondContact O-CG 3.34Å; I13-L17 PolarHBondContact O-N 2.86Å; L17-W19 VanDerWaalsContact C-N 3.33Å; L17-W19 PolarHBondContact O-N 2.99Å; L17-L20 PolarHBondContact O-N 3.4Å; L17-L21 WeakPolarHBondContact O-CB 3.23Å; L17-L21 PolarHBondContact O-N 3.18Å
18A73.1Confident67.7Low60 Ų6095.8 Ų95.850%0.49651%0.509SS..Hα-helixtrans-63.1-38.7174.600000112.2G14 V15 L22G14-A18 VanDerWaalsContact O-CB 3.31Å; G14-A18 WeakPolarHBondContact O-CB 3.39Å; G14-A18 PolarHBondContact O-N 2.8Å; V15-A18 PolarHBondContact O-N 2.79Å; A18-L22 VanDerWaalsContact O-CB 3.3Å; A18-L22 WeakPolarHBondContact O-CB 2.84Å; A18-L22 PolarHBondContact O-N 2.9Å
19W76.3Confident68.1Low149 Ų14991.5 Ų91.556%0.56450%0.5SS*.Hα-helixtrans-69.1-40.2175.9-175.284.6000112.4V15 L16 L17 L22 F23V15-W19 VanDerWaalsContact O-CB 3.29Å; V15-W19 WeakPolarHBondContact O-CB 3.29Å; V15-W19 PolarHBondContact O-N 2.91Å; L16-W19 PolarHBondContact O-N 3.11Å; L17-W19 VanDerWaalsContact C-N 3.33Å; L17-W19 PolarHBondContact O-N 2.99Å; W19-L22 PolarHBondContact O-N 3.46Å; W19-F23 VanDerWaalsContact O-CB 3.27Å; W19-F23 WeakPolarHBondContact O-CB 3.37Å; W19-F23 PolarHBondContact O-N 3.3Å
20L68.8Low67.9Low84 Ų8496.7 Ų96.744%0.4451%0.509SS..Hα-helixtrans-66.4-38.4174.2-73.1169.2000112L16 L17 F23 H24L16-L20 HydrophobicContact CG-CD1 4.23Å; L16-L20 WeakPolarHBondContact O-CB 3.45Å; L16-L20 VanDerWaalsContact O-CG 3.3Å; L16-L20 WeakPolarHBondContact O-CG 3.22Å; L16-L20 PolarHBondContact O-N 2.85Å; L17-L20 PolarHBondContact O-N 3.4Å; L20-F23 PolarHBondContact O-N 2.94Å; L20-H24 VanDerWaalsContact O-CB 3.32Å; L20-H24 WeakPolarHBondContact O-CB 3.41Å; L20-H24 PolarHBondContact O-N 3.1Å
21L70.5Confident67.6Low112 Ų11294.2 Ų94.259%0.58650%0.496SS*.Hα-helixtrans-62.1-49.2170.2-104.2163.4000111.2L17 F23 H24 L25L17-L21 WeakPolarHBondContact O-CB 3.23Å; L17-L21 PolarHBondContact O-N 3.18Å; L21-F23 VanDerWaalsContact C-N 3.28Å; L21-F23 PolarHBondContact O-N 3.34Å; L21-H24 PolarHBondContact O-N 3.43Å; L21-L25 WeakPolarHBondContact O-CB 3.28Å; L21-L25 WeakPolarHBondContact O-CD1 3.38Å; L21-L25 WeakPolarHBondContact O-CG 3.13Å; L21-L25 PolarHBondContact O-N 2.98Å
22L67.6Low67.1Low89 Ų8990.2 Ų90.247%0.46648%0.477SS..Hα-helixtrans-60.5-37.5177.8-170.871.8000112.1A18 W19 L26A18-L22 VanDerWaalsContact O-CB 3.3Å; A18-L22 WeakPolarHBondContact O-CB 2.84Å; A18-L22 PolarHBondContact O-N 2.9Å; W19-L22 PolarHBondContact O-N 3.46Å; L22-L26 HydrophobicContact CD1-CD1 4.45Å; L22-L26 HydrophobicContact CG-CD1 4.31Å; L22-L26 WeakPolarHBondContact O-CB 3.41Å; L22-L26 WeakPolarHBondContact O-CD1 3.35Å; L22-L26 PolarHBondContact O-N 3.21Å
23F72.1Confident66.6Low112 Ų11290.5 Ų90.549%0.49147%0.472SS..Hα-helixtrans-69.7-46.1175.9-177.7-98.7000112W19 L20 L21 L25 L26 V27W19-F23 VanDerWaalsContact O-CB 3.27Å; W19-F23 WeakPolarHBondContact O-CB 3.37Å; W19-F23 PolarHBondContact O-N 3.3Å; L20-F23 PolarHBondContact O-N 2.94Å; L21-F23 VanDerWaalsContact C-N 3.28Å; L21-F23 PolarHBondContact O-N 3.34Å; F23-L25 VanDerWaalsContact C-N 3.26Å; F23-L25 PolarHBondContact O-N 3.03Å; F23-L26 PolarHBondContact O-N 3.45Å; F23-V27 HydrophobicContact CD1-CG2 4.21Å; F23-V27 HydrophobicContact CE1-CG2 3.84Å; F23-V27 HydrophobicContact CE2-CG2 4.16Å; F23-V27 HydrophobicContact CZ-CG2 3.82Å; F23-V27 WeakPolarHBondContact O-CB 3.25Å; F23-V27 WeakPolarHBondContact O-CG2 3.27Å; F23-V27 PolarHBondContact O-N 3.08Å
24H63.7Low66.3Low116 Ų11690.3 Ų90.354%0.53748%0.475SS..Hα-helixtrans-63.8-33.1175.4-169.7-44.4000111.9L20 L21 N28L20-H24 VanDerWaalsContact O-CB 3.32Å; L20-H24 WeakPolarHBondContact O-CB 3.41Å; L20-H24 PolarHBondContact O-N 3.1Å; L21-H24 PolarHBondContact O-N 3.43Å; H24-N28 PolarHBondContact O-N 3.26Å
25L55.7Low65.8Low7 Ų792.2 Ų92.24%0.03747%0.472CS..Hα-helixtrans-64.3-54.8168.7-72.7164000110.3L21 F23 V27 N28 L31 L32 F35L21-L25 WeakPolarHBondContact O-CB 3.28Å; L21-L25 WeakPolarHBondContact O-CD1 3.38Å; L21-L25 WeakPolarHBondContact O-CG 3.13Å; L21-L25 PolarHBondContact O-N 2.98Å; F23-L25 VanDerWaalsContact C-N 3.26Å; F23-L25 PolarHBondContact O-N 3.03Å; L25-V27 VanDerWaalsContact C-N 3.31Å; L25-V27 PolarHBondContact O-N 2.9Å; L25-N28 CarbonylContact O-C 3.57Å; L25-N28 VanDerWaalsContact O-C 3.23Å; L25-N28 PolarHBondContact O-N 3.3Å; L25-N28 VanDerWaalsContact O-N 3.09Å; L25-L31 HydrophobicContact CD2-CB 4.14Å; L25-L31 HydrophobicContact CD2-CD2 3.56Å; L25-L31 HydrophobicContact CD2-CG 4.48Å; L25-L31 VanDerWaalsContact CD2-O 3.27Å; L25-L31 WeakPolarHBondContact CD2-O 3.46Å; L25-L32 HydrophobicContact CB-CD1 4.07Å; L25-L32 WeakPolarHBondContact O-CB 3.38Å; L25-F35 HydrophobicContact CD1-CB 4.29Å; L25-F35 HydrophobicContact CD1-CD1 3.63Å; L25-F35 HydrophobicContact CD1-CD2 4.06Å; L25-F35 HydrophobicContact CD1-CE1 3.82Å; L25-F35 HydrophobicContact CD1-CE2 4.24Å; L25-F35 HydrophobicContact CD1-CG 3.74Å; L25-F35 HydrophobicContact CD1-CZ 4.13Å; L25-F35 HydrophobicContact CD2-CB 3.55Å; L25-F35 HydrophobicContact CD2-CD1 4.41Å; L25-F35 HydrophobicContact CD2-CD2 4.45Å; L25-F35 HydrophobicContact CD2-CG 3.92Å; L25-F35 HydrophobicContact CG-CG 4.5Å
26L58.1Low65Low103 Ų10390.3 Ų90.354%0.53946%0.461SS..Hα-helixtrans-56.3-40.3179.9-109.180.1000113.9L22 F23 N28 L32L22-L26 HydrophobicContact CD1-CD1 4.45Å; L22-L26 HydrophobicContact CG-CD1 4.31Å; L22-L26 WeakPolarHBondContact O-CB 3.41Å; L22-L26 WeakPolarHBondContact O-CD1 3.35Å; L22-L26 PolarHBondContact O-N 3.21Å; F23-L26 PolarHBondContact O-N 3.45Å; L26-N28 VanDerWaalsContact C-N 3.32Å; L26-L32 HydrophobicContact CD1-CD1 4.17Å
27V62.9Low64.6Low104 Ų10486.5 Ų86.563%0.6344%0.443SS*.Hα-helixtrans-71.2-28-179.6171.10000111.9F23 L25F23-V27 HydrophobicContact CD1-CG2 4.21Å; F23-V27 HydrophobicContact CE1-CG2 3.84Å; F23-V27 HydrophobicContact CE2-CG2 4.16Å; F23-V27 HydrophobicContact CZ-CG2 3.82Å; F23-V27 WeakPolarHBondContact O-CB 3.25Å; F23-V27 WeakPolarHBondContact O-CG2 3.27Å; F23-V27 PolarHBondContact O-N 3.08Å; L25-V27 VanDerWaalsContact C-N 3.31Å; L25-V27 PolarHBondContact O-N 2.9Å
28N64Low64.1Low65 Ų6586.1 Ų86.135%0.34844%0.441SS..SBendtrans-110.590.9176.3-173.3-29.2000110.2H24 L25 L26 W30 L31 L32H24-N28 PolarHBondContact O-N 3.26Å; L25-N28 CarbonylContact O-C 3.57Å; L25-N28 VanDerWaalsContact O-C 3.23Å; L25-N28 PolarHBondContact O-N 3.3Å; L25-N28 VanDerWaalsContact O-N 3.09Å; L26-N28 VanDerWaalsContact C-N 3.32Å; N28-W30 PolarHBondContact O-N 2.9Å; N28-W30 VanDerWaalsContact O-N 3.08Å; N28-W30 WeakPolarHBondContact OD1-CB 3.45Å; N28-W30 PolarHBondContact OD1-N 3.43Å; N28-L31 HydrophobicContact CB-CB 3.88Å; N28-L31 HydrophobicContact CB-CD1 4.39Å; N28-L31 CarbonylContact O-C 3.23Å; N28-L31 WeakPolarHBondContact O-CA 3.41Å; N28-L31 WeakPolarHBondContact O-CB 3.36Å; N28-L31 PolarHBondContact O-N 3.13Å; N28-L31 PolarHBondContact OD1-N 3.39Å; N28-L32 PolarHBondContact O-N 3.25Å
29I61.8Low63.7Low111 Ų11187.6 Ų87.657%0.56944%0.44SS*.Hα-helixtrans-50.1-37.3-177.1-64.2169.5000112.6L32 C33I29-L32 PolarHBondContact O-N 2.86Å; I29-C33 WeakPolarHBondContact O-CB 3.45Å; I29-C33 PolarHBondContact O-N 2.72Å; I29-C33 PolarHBondContact O-SG 2.87Å; I29-C33 VanDerWaalsContact O-SG 3.39Å
30W56Low63.1Low182 Ų18283.2 Ų83.269%0.68943%0.427SS*.Hα-helixtrans-62.5-48.1174.3-10190000112.1N28 L32 C33 V34N28-W30 PolarHBondContact O-N 2.9Å; N28-W30 VanDerWaalsContact O-N 3.08Å; N28-W30 WeakPolarHBondContact OD1-CB 3.45Å; N28-W30 PolarHBondContact OD1-N 3.43Å; W30-L32 VanDerWaalsContact C-N 3.34Å; W30-L32 PolarHBondContact O-N 2.89Å; W30-C33 PolarHBondContact O-N 3.07Å; W30-V34 WeakPolarHBondContact O-CG2 3.47Å; W30-V34 PolarHBondContact O-N 2.92Å
31L57.8Low62.6Low74 Ų7481.1 Ų81.139%0.38742%0.418SS..Hα-helixtrans-65.2-36.7177.7-121.6146.1000111.4L25 N28 F35L25-L31 HydrophobicContact CD2-CB 4.14Å; L25-L31 HydrophobicContact CD2-CD2 3.56Å; L25-L31 HydrophobicContact CD2-CG 4.48Å; L25-L31 VanDerWaalsContact CD2-O 3.27Å; L25-L31 WeakPolarHBondContact CD2-O 3.46Å; N28-L31 HydrophobicContact CB-CB 3.88Å; N28-L31 HydrophobicContact CB-CD1 4.39Å; N28-L31 CarbonylContact O-C 3.23Å; N28-L31 WeakPolarHBondContact O-CA 3.41Å; N28-L31 WeakPolarHBondContact O-CB 3.36Å; N28-L31 PolarHBondContact O-N 3.13Å; N28-L31 PolarHBondContact OD1-N 3.39Å; L31-F35 VanDerWaalsContact O-CB 3.27Å; L31-F35 WeakPolarHBondContact O-CB 3.32Å; L31-F35 PolarHBondContact O-N 3.39Å
32L58.8Low62.1Low50 Ų5079.2 Ų79.226%0.26241%0.408SS..Hα-helixtrans-61.9-49.2170.7-169.865.4000111.9L25 L26 N28 I29 W30 V34 F35 T36L25-L32 HydrophobicContact CB-CD1 4.07Å; L25-L32 WeakPolarHBondContact O-CB 3.38Å; L26-L32 HydrophobicContact CD1-CD1 4.17Å; N28-L32 PolarHBondContact O-N 3.25Å; I29-L32 PolarHBondContact O-N 2.86Å; W30-L32 VanDerWaalsContact C-N 3.34Å; W30-L32 PolarHBondContact O-N 2.89Å; L32-V34 PolarHBondContact O-N 3.48Å; L32-F35 PolarHBondContact O-N 3.45Å; L32-T36 HydrophobicContact CD1-CG2 4.49Å; L32-T36 WeakPolarHBondContact O-CG2 3.12Å; L32-T36 PolarHBondContact O-N 2.92Å; L32-T36 PolarHBondContact O-OG1 2.7Å; L32-T36 VanDerWaalsContact O-OG1 3.09Å
33C62.6Low61.9Low48 Ų4875.8 Ų75.832%0.32439%0.394SS..Hα-helixtrans-62.9-38.8178.3-76.20000112.5I29 W30 T36 S37I29-C33 WeakPolarHBondContact O-CB 3.45Å; I29-C33 PolarHBondContact O-N 2.72Å; I29-C33 PolarHBondContact O-SG 2.87Å; I29-C33 VanDerWaalsContact O-SG 3.39Å; W30-C33 PolarHBondContact O-N 3.07Å; C33-T36 PolarHBondContact O-OG1 2.96Å; C33-S37 WeakPolarHBondContact O-CB 3.4Å; C33-S37 PolarHBondContact O-N 2.88Å; C33-S37 PolarHBondContact O-OG 2.77Å
34V66.9Low61.1Low84 Ų8470.5 Ų70.551%0.50937%0.371SS..Hα-helixtrans-64.9-43.5173.51690000110.6W30 L32 S37 L38W30-V34 WeakPolarHBondContact O-CG2 3.47Å; W30-V34 PolarHBondContact O-N 2.92Å; L32-V34 PolarHBondContact O-N 3.48Å; V34-S37 PolarHBondContact O-N 2.96Å; V34-L38 VanDerWaalsContact O-CB 3.29Å; V34-L38 WeakPolarHBondContact O-CB 3.44Å; V34-L38 PolarHBondContact O-N 2.99Å
35F62Low60.6Low79 Ų7972.8 Ų72.835%0.34638%0.375SS..Hα-helixtrans-69.1-41.3179.6-179.1-106.4000113.3L25 L31 L32 L38 L39L25-F35 HydrophobicContact CD1-CB 4.29Å; L25-F35 HydrophobicContact CD1-CD1 3.63Å; L25-F35 HydrophobicContact CD1-CD2 4.06Å; L25-F35 HydrophobicContact CD1-CE1 3.82Å; L25-F35 HydrophobicContact CD1-CE2 4.24Å; L25-F35 HydrophobicContact CD1-CG 3.74Å; L25-F35 HydrophobicContact CD1-CZ 4.13Å; L25-F35 HydrophobicContact CD2-CB 3.55Å; L25-F35 HydrophobicContact CD2-CD1 4.41Å; L25-F35 HydrophobicContact CD2-CD2 4.45Å; L25-F35 HydrophobicContact CD2-CG 3.92Å; L25-F35 HydrophobicContact CG-CG 4.5Å; L31-F35 VanDerWaalsContact O-CB 3.27Å; L31-F35 WeakPolarHBondContact O-CB 3.32Å; L31-F35 PolarHBondContact O-N 3.39Å; L32-F35 PolarHBondContact O-N 3.45Å; F35-L38 PolarHBondContact O-N 3.38Å; F35-L39 HydrophobicContact CD1-CD1 3.97Å; F35-L39 HydrophobicContact CE1-CD1 3.55Å; F35-L39 HydrophobicContact CE1-CG 4.36Å; F35-L39 HydrophobicContact CZ-CD1 3.91Å; F35-L39 HydrophobicContact CZ-CG 4.39Å; F35-L39 WeakPolarHBondContact O-CG 3.38Å; F35-L39 PolarHBondContact O-N 3.46Å
36T59.1Low60.5Low61 Ų6180.6 Ų80.637%0.37441%0.409SS..Hα-helixtrans-69.1-37.2174.555.80000111.6L32 C33 L39 L40L32-T36 HydrophobicContact CD1-CG2 4.49Å; L32-T36 WeakPolarHBondContact O-CG2 3.12Å; L32-T36 PolarHBondContact O-N 2.92Å; L32-T36 PolarHBondContact O-OG1 2.7Å; L32-T36 VanDerWaalsContact O-OG1 3.09Å; C33-T36 PolarHBondContact O-OG1 2.96Å; T36-L39 PolarHBondContact O-N 3.42Å; T36-L40 WeakPolarHBondContact O-CB 3.35Å; T36-L40 WeakPolarHBondContact O-CG 3.32Å; T36-L40 PolarHBondContact O-N 3.17Å
37S64.3Low60.1Low22 Ų2277.7 Ų77.715%0.15440%0.404CS..Hα-helixtrans-61.8-42.4170.6-62.50000111.8C33 V34 L40 V41C33-S37 WeakPolarHBondContact O-CB 3.4Å; C33-S37 PolarHBondContact O-N 2.88Å; C33-S37 PolarHBondContact O-OG 2.77Å; V34-S37 PolarHBondContact O-N 2.96Å; S37-L40 PolarHBondContact O-N 3.41Å; S37-V41 WeakPolarHBondContact O-CB 3.49Å; S37-V41 WeakPolarHBondContact O-CG2 3.35Å; S37-V41 PolarHBondContact O-N 3.31Å
38L65.3Low59.6Low97 Ų9775.1 Ų75.151%0.50839%0.39SS..Hα-helixtrans-63.5-43.1175.7-16875.7000111.2V34 F35 L40 V41 L42V34-L38 VanDerWaalsContact O-CB 3.29Å; V34-L38 WeakPolarHBondContact O-CB 3.44Å; V34-L38 PolarHBondContact O-N 2.99Å; F35-L38 PolarHBondContact O-N 3.38Å; L38-L40 VanDerWaalsContact C-N 3.33Å; L38-L40 PolarHBondContact O-N 3.48Å; L38-V41 PolarHBondContact O-N 2.9Å; L38-L42 HydrophobicContact CG-CD1 4.14Å; L38-L42 WeakPolarHBondContact O-CB 3.31Å; L38-L42 VanDerWaalsContact O-CG 3.23Å; L38-L42 WeakPolarHBondContact O-CG 3.41Å; L38-L42 PolarHBondContact O-N 3.19Å
39L64.1Low59.1Low90 Ų9078.9 Ų78.947%0.47141%0.406SS..Hα-helixtrans-65-33.5174.1-72.6175.9000112.8F35 T36 G43F35-L39 HydrophobicContact CD1-CD1 3.97Å; F35-L39 HydrophobicContact CE1-CD1 3.55Å; F35-L39 HydrophobicContact CE1-CG 4.36Å; F35-L39 HydrophobicContact CZ-CD1 3.91Å; F35-L39 HydrophobicContact CZ-CG 4.39Å; F35-L39 WeakPolarHBondContact O-CG 3.38Å; F35-L39 PolarHBondContact O-N 3.46Å; T36-L39 PolarHBondContact O-N 3.42Å; L39-G43 PolarHBondContact O-N 3.38Å
40L63.1Low58.8Low58 Ų5877.2 Ų77.230%0.30441%0.409SS..Hα-helixtrans-72.1-37.5174.1-77.4163.8000112.5T36 S37 L38 G44 I51 T831 L835T36-L40 WeakPolarHBondContact O-CB 3.35Å; T36-L40 WeakPolarHBondContact O-CG 3.32Å; T36-L40 PolarHBondContact O-N 3.17Å; S37-L40 PolarHBondContact O-N 3.41Å; L38-L40 VanDerWaalsContact C-N 3.33Å; L38-L40 PolarHBondContact O-N 3.48Å; L40-G44 PolarHBondContact O-N 3.02Å; L40-I51 HydrophobicContact CD2-CG2 3.43Å; L40-I51 VanDerWaalsContact CD2-CG2 3.43Å; L40-T831 HydrophobicContact CB-CG2 4.38Å; L40-L835 HydrophobicContact CD1-CD2 3.79Å
41V59.3Low58.6Low39 Ų3972.7 Ų72.724%0.23640%0.397CS..Hα-helixtrans-64.5-46.2171.3165.60000110.6S37 L38 G44 W45 I828 T831 L835S37-V41 WeakPolarHBondContact O-CB 3.49Å; S37-V41 WeakPolarHBondContact O-CG2 3.35Å; S37-V41 PolarHBondContact O-N 3.31Å; L38-V41 PolarHBondContact O-N 2.9Å; V41-G44 PolarHBondContact O-N 3.29Å; V41-W45 WeakPolarHBondContact O-CB 3.41Å; V41-W45 PolarHBondContact O-N 3.18Å; V41-I828 HydrophobicContact CB-CD1 4.34Å; V41-I828 HydrophobicContact CG1-CD1 3.8Å; V41-I828 HydrophobicContact CG2-CD1 3.95Å; V41-T831 HydrophobicContact CG2-CG2 3.83Å; V41-L835 HydrophobicContact CG2-CD1 4.4Å
42L60.3Low58.4Low73 Ų7370.1 Ų70.138%0.38238%0.384SS..Hα-helixtrans-65.4-41.1175.8-70.4167.4000111.8L38 G44 W45 F46L38-L42 HydrophobicContact CG-CD1 4.14Å; L38-L42 WeakPolarHBondContact O-CB 3.31Å; L38-L42 VanDerWaalsContact O-CG 3.23Å; L38-L42 WeakPolarHBondContact O-CG 3.41Å; L38-L42 PolarHBondContact O-N 3.19Å; L42-G44 PolarHBondContact O-N 3.29Å; L42-W45 WeakPolarHBondContact O-CB 3.47Å; L42-W45 PolarHBondContact O-N 2.66Å; L42-W45 VanDerWaalsContact O-N 3.16Å; L42-F46 HydrophobicContact CD2-CE2 4.42Å; L42-F46 WeakPolarHBondContact O-CB 3.45Å; L42-F46 WeakPolarHBondContact O-CD2 3.34Å; L42-F46 PolarHBondContact O-N 3.07Å
43G61.7Low58.1Low16 Ų1673.9 Ų73.917%0.16540%0.4CS..Hα-helixtrans-63.5-38.1174.600000113L39 W45 G47 S48L39-G43 PolarHBondContact O-N 3.38Å; G43-W45 VanDerWaalsContact C-N 3.35Å; G43-G47 PolarHBondContact O-N 2.89Å; G43-S48 PolarHBondContact O-N 3.35Å; G43-S48 PolarHBondContact O-OG 3.39Å
44G56.8Low57.6Low2 Ų274.3 Ų74.32%0.02140%0.403CS..Hα-helixtrans-67.5-31.2171.500000113.8L40 V41 L42 N827L40-G44 PolarHBondContact O-N 3.02Å; V41-G44 PolarHBondContact O-N 3.29Å; L42-G44 PolarHBondContact O-N 3.29Å; G44-N827 WeakPolarHBondContact O-CB 3.49Å; G44-N827 PolarHBondContact O-ND2 2.99Å
45W53.3Low57.2Low164 Ų16476.2 Ų76.262%0.62141%0.41SS*.Hα-helixtrans-74.2-43.5174-163-64.1000112.1V41 L42 G43 G47 W822V41-W45 WeakPolarHBondContact O-CB 3.41Å; V41-W45 PolarHBondContact O-N 3.18Å; L42-W45 WeakPolarHBondContact O-CB 3.47Å; L42-W45 PolarHBondContact O-N 2.66Å; L42-W45 VanDerWaalsContact O-N 3.16Å; G43-W45 VanDerWaalsContact C-N 3.35Å; W45-G47 VanDerWaalsContact C-N 3.3Å; W45-G47 PolarHBondContact O-N 2.88Å; W45-W822 HydrophobicContact CH2-CD2 4.37Å; W45-W822 HydrophobicContact CH2-CE3 4.13Å; W45-W822 HydrophobicContact CZ3-CD2 4.21Å; W45-W822 AromaticContact CZ3-CE3 3.54Å; W45-W822 HydrophobicContact CZ3-CE3 3.54Å; W45-W822 AromaticContact CZ3-CZ3 3.9Å; W45-W822 HydrophobicContact CZ3-CZ3 3.9Å
46F52.8Low57.2Low171 Ų17176.8 Ų76.875%0.7542%0.424SS*.THydrogen-bonded Turntrans-85.55.5178.9-75.8-74.7000114.2L42L42-F46 HydrophobicContact CD2-CE2 4.42Å; L42-F46 WeakPolarHBondContact O-CB 3.45Å; L42-F46 WeakPolarHBondContact O-CD2 3.34Å; L42-F46 PolarHBondContact O-N 3.07Å
47G49Very low57.6Low41 Ų4175.8 Ų75.842%0.42342%0.417SS..THydrogen-bonded Turntrans82.720162.600000116.7G43 W45 Q49G43-G47 PolarHBondContact O-N 2.89Å; W45-G47 VanDerWaalsContact C-N 3.3Å; W45-G47 PolarHBondContact O-N 2.88Å; G47-Q49 VanDerWaalsContact C-N 3.33Å; G47-Q49 PolarHBondContact O-N 2.98Å
48S53.1Low58Low50 Ų5077.2 Ų77.235%0.3542%0.424SS..  trans-74.781177.763.30000111.8G43 A50 I51G43-S48 PolarHBondContact O-N 3.35Å; G43-S48 PolarHBondContact O-OG 3.39Å; S48-A50 PolarHBondContact O-N 2.83Å; S48-A50 VanDerWaalsContact O-N 3.14Å; S48-I51 PolarHBondContact O-N 2.77Å
49Q53.2Low58.3Low145 Ų14575.6 Ų75.668%0.67841%0.414SS*.Hα-helixtrans-52.4-37-174.3-70.5179.7-22.200113.9G47 I51 L52 E53G47-Q49 VanDerWaalsContact C-N 3.33Å; G47-Q49 PolarHBondContact O-N 2.98Å; Q49-I51 PolarHBondContact O-N 2.97Å; Q49-L52 PolarHBondContact O-N 3.44Å; Q49-E53 PolarHBondContact O-N 3.42Å
50A54.6Low58.7Low76 Ų7672.4 Ų72.463%0.62840%0.397SS*.Hα-helixtrans-54-23.6-176.100000115.7S48S48-A50 PolarHBondContact O-N 2.83Å; S48-A50 VanDerWaalsContact O-N 3.14Å
51I52.6Low59.1Low87 Ų8772.2 Ų72.245%0.44640%0.395SS..Hα-helixtrans-93.7-24.2177.4-52.7177.2000111.8L40 S48 Q49 E53 S54L40-I51 HydrophobicContact CD2-CG2 3.43Å; L40-I51 VanDerWaalsContact CD2-CG2 3.43Å; S48-I51 PolarHBondContact O-N 2.77Å; Q49-I51 PolarHBondContact O-N 2.97Å; I51-E53 VanDerWaalsContact C-N 3.35Å; I51-S54 PolarHBondContact O-OG 2.99Å
52L53.2Low59.6Low20 Ų2079 Ų7911%0.10542%0.416CS..Hα-helixtrans-81.5-17172.3-70.199000112.5Q49 R830Q49-L52 PolarHBondContact O-N 3.44Å; L52-R830 HydrophobicContact CD2-CB 3.99Å; L52-R830 HydrophobicContact CD2-CG 3.96Å; L52-R830 PolarHBondContact O-NE 2.94Å; L52-R830 PolarHBondContact O-NH2 2.81Å
53E53.6Low59.7Low129 Ų12982.5 Ų82.560%0.60343%0.428SS*.SBendtrans-78.5-26.9173.4-71.8179.9150.300113.4Q49 I51 N55Q49-E53 PolarHBondContact O-N 3.42Å; I51-E53 VanDerWaalsContact C-N 3.35Å; E53-N55 PolarHBondContact O-N 3.18Å
54S52.2Low59.9Low56 Ų5684.7 Ų84.739%0.39244%0.436SS..SBendtrans-70.7109.7168.150.60000110.4I51 S56I51-S54 PolarHBondContact O-OG 2.99Å; S54-S56 PolarHBondContact O-N 3.46Å
55N58.3Low60.2Low124 Ų12490.3 Ų90.366%0.66348%0.475SS*.  trans-69.837.2172.1-69.9-20.1000112.9E53 L57E53-N55 PolarHBondContact O-N 3.18Å; N55-L57 PolarHBondContact O-N 2.87Å
56S61.3Low61.2Low91 Ų9184.4 Ų84.464%0.63646%0.455SS*.  trans-83.3108.6178.1-169.80000109.2S54S54-S56 PolarHBondContact O-N 3.46Å
57L67Low62.2Low41 Ų4184.3 Ų84.322%0.21546%0.457CS..  trans-88.5138.6-175.3-61.7170.9000111.5N55 H59 M802 L834 T838N55-L57 PolarHBondContact O-N 2.87Å; L57-H59 PolarHBondContact O-N 3.25Å; L57-M802 HydrophobicContact CD1-CE 3.36Å; L57-M802 HydrophobicContact CD1-SD 4.26Å; L57-M802 HydrophobicContact CD2-CE 3.62Å; L57-M802 HydrophobicContact CD2-SD 4.02Å; L57-M802 HydrophobicContact CG-CE 4.14Å; L57-L834 HydrophobicContact CD2-CD2 4Å; L57-T838 HydrophobicContact CB-CG2 4.17Å
58V72.9Confident63.5Low52 Ų5286.6 Ų86.632%0.31546%0.457SS..  trans-92.2104.3175.1-169.80000109.3L60 L834 L835V58-L60 HydrophobicContact CG1-CD2 3.7Å; V58-L60 HydrophobicContact CG1-CG 3.82Å; V58-L60 PolarHBondContact O-N 3.43Å; V58-L834 PolarHBondContact N-O 3.02Å; V58-L834 VanDerWaalsContact N-O 3.11Å; V58-L835 HydrophobicContact CG2-CD2 3.98Å
59H72.8Confident64.7Low62 Ų6286.7 Ų86.729%0.28746%0.455SS..  trans-74.163.4177.1-67.6-87.4000112.3L57 E61 R62L57-H59 PolarHBondContact O-N 3.25Å; H59-E61 HydrophobicContact CB-CG 4.26Å; H59-E61 IonicContact CE1-OE1 2.64Å; H59-E61 IonicContact CG-OE1 2.73Å; H59-E61 IonicContact ND1-OE1 3.39Å; H59-E61 PolarHBondContact ND1-OE1 3.37Å; H59-E61 PolarHBondContact O-N 2.87Å; H59-R62 HydrophobicContact CB-CG 4.12Å; H59-R62 PolarHBondContact O-N 3.24Å; H59-R62 VanDerWaalsContact O-N 3.11Å
60L71.1Confident65.7Low23 Ų2388.3 Ų88.312%0.1246%0.463CS..G310 helixtrans-58.7-26.4177.8-69.9-177.2000112.8V58 R62 F63 I64 L835 F836 L839V58-L60 HydrophobicContact CG1-CD2 3.7Å; V58-L60 HydrophobicContact CG1-CG 3.82Å; V58-L60 PolarHBondContact O-N 3.43Å; L60-R62 PolarHBondContact O-N 3.09Å; L60-F63 PolarHBondContact O-N 2.72Å; L60-I64 PolarHBondContact O-N 3.39Å; L60-L835 WeakPolarHBondContact CD1-O 3.22Å; L60-L835 WeakPolarHBondContact CG-O 3.44Å; L60-F836 HydrophobicContact CD1-CD1 3.51Å; L60-F836 HydrophobicContact CD1-CE1 3.61Å; L60-F836 HydrophobicContact CD1-CG 4.38Å; L60-L839 HydrophobicContact CB-CB 4.12Å; L60-L839 HydrophobicContact CB-CD2 4.16Å; L60-L839 HydrophobicContact CD1-CD2 4.45Å
61E72.7Confident66.6Low54 Ų5488 Ų8825%0.25246%0.456SS..G310 helixtrans-51.2-22.6171.172.9-152.6-175.600115.2H59 F63 T838 L839 R842H59-E61 HydrophobicContact CB-CG 4.26Å; H59-E61 IonicContact CE1-OE1 2.64Å; H59-E61 IonicContact CG-OE1 2.73Å; H59-E61 IonicContact ND1-OE1 3.39Å; H59-E61 PolarHBondContact ND1-OE1 3.37Å; H59-E61 PolarHBondContact O-N 2.87Å; E61-F63 VanDerWaalsContact C-N 3.34Å; E61-T838 VanDerWaalsContact CD-OG1 3.24Å; E61-T838 WeakPolarHBondContact OE2-CB 3.46Å; E61-T838 PolarHBondContact OE2-OG1 3.47Å; E61-L839 HydrophobicContact CB-CD1 4.48Å; E61-R842 HydrophobicContact CB-CB 4.05Å; E61-R842 HydrophobicContact CB-CG 4.16Å
62R69.9Low68.1Low183 Ų18385.9 Ų85.969%0.69145%0.449SS*.G310 helixtrans-84-12.5179-59.3-177.3-168.9-170.85.8112.9H59 L60H59-R62 HydrophobicContact CB-CG 4.12Å; H59-R62 PolarHBondContact O-N 3.24Å; H59-R62 VanDerWaalsContact O-N 3.11Å; L60-R62 PolarHBondContact O-N 3.09Å
63F62Low69.7Low145 Ų14589 Ų8964%0.63648%0.478SS*.THydrogen-bonded Turntrans-108.8-11.2-180-58-84.3000112.7L60 E61L60-F63 PolarHBondContact O-N 2.72Å; E61-F63 VanDerWaalsContact C-N 3.34Å
64I66.2Low71.4Confident62 Ų6289.2 Ų89.232%0.31848%0.479SS..SBendtrans-119.2104.8178.5-58.5178.6000107.9L60 L66 L839L60-I64 PolarHBondContact O-N 3.39Å; I64-L66 HydrophobicContact CG2-CG 4.43Å; I64-L66 PolarHBondContact O-N 3.02Å; I64-L839 HydrophobicContact CB-CD1 4.15Å; I64-L839 HydrophobicContact CD1-CD1 3.98Å; I64-L839 HydrophobicContact CD1-CD2 3.79Å; I64-L839 HydrophobicContact CG2-CD1 4.47Å
65S63.1Low73.1Confident120 Ų12087.7 Ų87.784%0.83947%0.466SS*.  trans-69104.8177-167.10000110
66L73.3Confident74.6Confident40 Ų4084 Ų8421%0.20945%0.445CS..  trans-94.299.4171.2-75162.9000108.4I64 L839 R842 W843 V846I64-L66 HydrophobicContact CG2-CG 4.43Å; I64-L66 PolarHBondContact O-N 3.02Å; L66-L839 HydrophobicContact CD1-CD1 4.13Å; L66-R842 HydrophobicContact CD1-CB 4.41Å; L66-R842 HydrophobicContact CD1-CG 3.99Å; L66-W843 HydrophobicContact CD1-CB 4.04Å; L66-V846 HydrophobicContact CB-CB 4.39Å; L66-V846 HydrophobicContact CB-CG1 4.31Å; L66-V846 HydrophobicContact CB-CG2 4.13Å
67E74Confident76.1Confident169 Ų16986.8 Ų86.879%0.7945%0.448SS*.  trans-73.5126.9-178-170.2159-144.900111.3V846 N850E67-V846 WeakPolarHBondContact O-CG1 3.49Å; E67-N850 PolarHBondContact O-ND2 2.84Å
68Q77.1Confident77.3Confident89 Ų8990.5 Ų90.542%0.41646%0.464SS..  trans-99.4124.8177.5-175-179.2-30.500108.5Q70 V846 A849 N850Q68-Q70 PolarHBondContact O-N 3.27Å; Q68-Q70 VanDerWaalsContact O-N 3.1Å; Q68-V846 HydrophobicContact CB-CG1 4.23Å; Q68-A849 HydrophobicContact CG-CB 4.1Å; Q68-N850 WeakPolarHBondContact CA-OD1 3.28Å
69V77.2Confident78.3Confident52 Ų5288.6 Ų88.632%0.31545%0.452SS..  trans-62.1113.5177.3179.50000108.5N850V69-N850 HydrophobicContact CG2-CB 4.38Å; V69-N850 PolarHBondContact N-OD1 2.97Å
70Q74.8Confident79.4Confident179 Ų17987.5 Ų87.584%0.83645%0.448SS*.PPolyproline II helixtrans-73.1128.6172.4-59.1-174.718.800108.6Q68Q68-Q70 PolarHBondContact O-N 3.27Å; Q68-Q70 VanDerWaalsContact O-N 3.1Å
71S74.4Confident80.5Confident69 Ų6991.3 Ų91.348%0.48347%0.465SS..PPolyproline II helixtrans-78.5120.4171.151.60000109.5D75S71-D75 WeakPolarHBondContact CA-OD2 3.47Å
72S83.9Confident81.5Confident43 Ų4389.9 Ų89.930%0.30146%0.458SS..PPolyproline II helixtrans-80.1171.9174.376.70000111.7E74 D75S72-E74 WeakPolarHBondContact OG-CB 3.45Å; S72-E74 PolarHBondContact OG-N 2.9Å; S72-D75 PolarHBondContact N-OD2 2.92Å; S72-D75 PolarHBondContact OG-N 3.13Å
73A86.6Confident82.7Confident86 Ų8682 Ų8271%0.71143%0.43SS*.Hα-helixtrans-67-31167.500000111.7E76 E77A73-E76 WeakPolarHBondContact O-CB 3.45Å; A73-E76 PolarHBondContact O-N 3.37Å; A73-E77 PolarHBondContact O-N 3.23Å; A73-E77 VanDerWaalsContact O-N 3.15Å
74E89Confident84.3Confident134 Ų13478.2 Ų78.263%0.62641%0.414SS*.Hα-helixtrans-67.3-37.5177.5-51.1162.2155.100111S72 E76 E77 H78S72-E74 WeakPolarHBondContact OG-CB 3.45Å; S72-E74 PolarHBondContact OG-N 2.9Å; E74-E76 VanDerWaalsContact C-N 3.25Å; E74-E76 PolarHBondContact O-N 3.03Å; E74-E77 PolarHBondContact O-N 3.47Å; E74-H78 WeakPolarHBondContact O-CB 3.47Å; E74-H78 PolarHBondContact O-CD2 3.34Å; E74-H78 PolarHBondContact O-N 2.94Å
75D87.5Confident85.5Confident24 Ų2477.1 Ų77.113%0.12841%0.409CS..Hα-helixtrans-59.2-37.1173.4-73-46.4000111.7S71 S72 L79 T854 K855S71-D75 WeakPolarHBondContact CA-OD2 3.47Å; S72-D75 PolarHBondContact N-OD2 2.92Å; S72-D75 PolarHBondContact OG-N 3.13Å; D75-L79 WeakPolarHBondContact O-CB 3.44Å; D75-L79 PolarHBondContact O-N 3.09Å; D75-T854 HydrophobicContact CB-CG2 4.07Å; D75-T854 VanDerWaalsContact O-CG2 3.3Å; D75-T854 WeakPolarHBondContact O-CG2 3.4Å; D75-K855 WeakPolarHBondContact OD1-CB 3.42Å
76E90.1Very high86.8Confident47 Ų4772.3 Ų72.322%0.2238%0.375CS..Hα-helixtrans-71.6-40.3178.7-70.1-73.1153.600112.1A73 E74 L79 D80 K124 T854A73-E76 WeakPolarHBondContact O-CB 3.45Å; A73-E76 PolarHBondContact O-N 3.37Å; E74-E76 VanDerWaalsContact C-N 3.25Å; E74-E76 PolarHBondContact O-N 3.03Å; E76-L79 PolarHBondContact O-N 3.27Å; E76-D80 PolarHBondContact O-N 3.06Å; E76-K124 PolarHBondContact O-NZ 2.84Å; E76-K124 WeakPolarHBondContact OE2-CE 3.21Å; E76-K124 IonicContact OE2-NZ 3.98Å; E76-K124 PolarHBondContact OE2-NZ 2.97Å; E76-T854 HydrophobicContact CB-CG2 4.43Å; E76-T854 VanDerWaalsContact CD-CG2 3.46Å; E76-T854 HydrophobicContact CG-CG2 3.96Å; E76-T854 WeakPolarHBondContact OE1-CG2 3.48Å; E76-T854 PolarHBondContact OE1-OG1 3.31Å
77E92.8Very high87.7Confident149 Ų14970.7 Ų70.770%0.69637%0.366SS*.Hα-helixtrans-66.8-42.1173.2-174.7175.3177.600111.5A73 E74 L79 D80 Q81A73-E77 PolarHBondContact O-N 3.23Å; A73-E77 VanDerWaalsContact O-N 3.15Å; E74-E77 PolarHBondContact O-N 3.47Å; E77-L79 VanDerWaalsContact C-N 3.33Å; E77-L79 PolarHBondContact O-N 2.81Å; E77-D80 PolarHBondContact O-N 2.85Å; E77-Q81 WeakPolarHBondContact O-CB 3.49Å; E77-Q81 PolarHBondContact O-N 3.02Å
78H92.9Very high88.5Confident118 Ų11868.6 Ų68.655%0.54635%0.351SS..Hα-helixtrans-60.4-40.8172.8-84.3-60.4000112.2E74 E82 V858E74-H78 WeakPolarHBondContact O-CB 3.47Å; E74-H78 PolarHBondContact O-CD2 3.34Å; E74-H78 PolarHBondContact O-N 2.94Å; H78-E82 WeakPolarHBondContact O-CB 3.37Å; H78-E82 PolarHBondContact O-N 3.39Å; H78-V858 HydrophobicContact CB-CG2 4.17Å
79L93.6Very high88.9Confident13 Ų1366.4 Ų66.47%0.06834%0.34CS..Hα-helixtrans-63.5-44.7174.6178.359000111.7D75 E76 E77 E82 I83 K124 T854 W857 V858 L861D75-L79 WeakPolarHBondContact O-CB 3.44Å; D75-L79 PolarHBondContact O-N 3.09Å; E76-L79 PolarHBondContact O-N 3.27Å; E77-L79 VanDerWaalsContact C-N 3.33Å; E77-L79 PolarHBondContact O-N 2.81Å; L79-E82 PolarHBondContact O-N 3.31Å; L79-I83 HydrophobicContact CD1-CD1 4.26Å; L79-I83 HydrophobicContact CD1-CG1 4.41Å; L79-I83 HydrophobicContact CG-CD1 4.1Å; L79-I83 WeakPolarHBondContact O-CG1 3.31Å; L79-I83 PolarHBondContact O-N 2.71Å; L79-K124 HydrophobicContact CD2-CD 4.15Å; L79-T854 HydrophobicContact CB-CG2 3.86Å; L79-T854 HydrophobicContact CD2-CG2 3.64Å; L79-T854 HydrophobicContact CG-CG2 4.39Å; L79-W857 HydrophobicContact CD1-CB 3.78Å; L79-W857 HydrophobicContact CD2-CB 4.11Å; L79-V858 HydrophobicContact CB-CG2 3.98Å; L79-V858 HydrophobicContact CD1-CG2 4.42Å; L79-L861 HydrophobicContact CD1-CD1 3.65Å
80D94.8Very high89.3Confident38 Ų3866 Ų6620%0.20334%0.336CS..Hα-helixtrans-68.6-38.5-180-70-20.5000111.7E76 E77 E82 I83 H84 K124E76-D80 PolarHBondContact O-N 3.06Å; E77-D80 PolarHBondContact O-N 2.85Å; D80-E82 VanDerWaalsContact C-N 3.33Å; D80-E82 PolarHBondContact O-N 3.09Å; D80-I83 PolarHBondContact O-N 2.87Å; D80-H84 PolarHBondContact O-N 3.48Å; D80-H84 PolarHBondContact O-ND1 3.38Å; D80-K124 WeakPolarHBondContact OD1-CD 3.18Å; D80-K124 WeakPolarHBondContact OD1-CE 3.38Å; D80-K124 IonicContact OD1-NZ 2.81Å; D80-K124 PolarHBondContact OD1-NZ 2.88Å; D80-K124 IonicContact OD2-NZ 3.79Å; D80-K124 PolarHBondContact OD2-NZ 3.35Å
81Q94.6Very high89.9Confident103 Ų10357.7 Ų57.748%0.48130%0.297SS..Hα-helixtrans-63.5-37.3172.3-179.466.8-32.700112.1E77 H84 N85E77-Q81 WeakPolarHBondContact O-CB 3.49Å; E77-Q81 PolarHBondContact O-N 3.02Å; Q81-H84 PolarHBondContact O-N 3.4Å; Q81-N85 WeakPolarHBondContact O-CB 3.49Å; Q81-N85 PolarHBondContact O-N 3.06Å; Q81-N85 PolarHBondContact O-ND2 3.31Å
82E94.6Very high90.5Very high24 Ų2459.5 Ų59.511%0.11229%0.293CS..Hα-helixtrans-72.2-32.8177.4-158.764.9-88.600112.6H78 L79 D80 N85 T86 V858 L861 Q862 Q865H78-E82 WeakPolarHBondContact O-CB 3.37Å; H78-E82 PolarHBondContact O-N 3.39Å; L79-E82 PolarHBondContact O-N 3.31Å; D80-E82 VanDerWaalsContact C-N 3.33Å; D80-E82 PolarHBondContact O-N 3.09Å; E82-N85 PolarHBondContact OE1-ND2 2.9Å; E82-T86 WeakPolarHBondContact O-CB 3.41Å; E82-T86 PolarHBondContact O-N 2.98Å; E82-T86 PolarHBondContact O-OG1 2.82Å; E82-V858 HydrophobicContact CG-CG1 4.42Å; E82-L861 HydrophobicContact CB-CD1 4.37Å; E82-L861 HydrophobicContact CG-CB 3.95Å; E82-L861 HydrophobicContact CG-CD1 4.4Å; E82-Q862 HydrophobicContact CG-CG 4.19Å; E82-Q862 WeakPolarHBondContact OE2-CG 3.48Å; E82-Q862 PolarHBondContact OE2-NE2 3.12Å; E82-Q865 VanDerWaalsContact CD-NE2 3.25Å; E82-Q865 PolarHBondContact OE1-NE2 3.18Å
83I94.8Very high90.4Very high17 Ų1758.9 Ų58.99%0.08729%0.287CS..Hα-helixtrans-61.3-50.2167.9-72166.5000110.1L79 D80 N85 T86 V87 A120 M121 K124 L861L79-I83 HydrophobicContact CD1-CD1 4.26Å; L79-I83 HydrophobicContact CD1-CG1 4.41Å; L79-I83 HydrophobicContact CG-CD1 4.1Å; L79-I83 WeakPolarHBondContact O-CG1 3.31Å; L79-I83 PolarHBondContact O-N 2.71Å; D80-I83 PolarHBondContact O-N 2.87Å; I83-N85 VanDerWaalsContact C-N 3.34Å; I83-N85 PolarHBondContact O-N 2.89Å; I83-T86 WeakPolarHBondContact O-CB 3.41Å; I83-T86 PolarHBondContact O-N 3.35Å; I83-V87 WeakPolarHBondContact O-CG2 3.49Å; I83-V87 PolarHBondContact O-N 2.72Å; I83-A120 HydrophobicContact CG2-CB 3.56Å; I83-M121 HydrophobicContact CD1-SD 4.47Å; I83-K124 HydrophobicContact CD1-CD 4.28Å; I83-L861 HydrophobicContact CG1-CD1 3.76Å
84H94.5Very high90.1Very high66 Ų6658.8 Ų58.831%0.30627%0.27SS..Hα-helixtrans-62.5-38.8178.4-74.884.1000112.3D80 Q81 R88D80-H84 PolarHBondContact O-N 3.48Å; D80-H84 PolarHBondContact O-ND1 3.38Å; Q81-H84 PolarHBondContact O-N 3.4Å; H84-R88 VanDerWaalsContact O-CB 3.32Å; H84-R88 WeakPolarHBondContact O-CB 3.45Å; H84-R88 PolarHBondContact O-N 2.8Å
85N92.8Very high89.7Confident40 Ų4053 Ų5321%0.21425%0.245CC..Hα-helixtrans-62.1-44172.8-72.9-22.9000112.3Q81 E82 I83 R88 K89Q81-N85 WeakPolarHBondContact O-CB 3.49Å; Q81-N85 PolarHBondContact O-N 3.06Å; Q81-N85 PolarHBondContact O-ND2 3.31Å; E82-N85 PolarHBondContact OE1-ND2 2.9Å; I83-N85 VanDerWaalsContact C-N 3.34Å; I83-N85 PolarHBondContact O-N 2.89Å; N85-R88 PolarHBondContact O-N 3.26Å; N85-R88 PolarHBondContact OD1-NH1 3.4Å; N85-K89 WeakPolarHBondContact O-CG 3.3Å; N85-K89 PolarHBondContact O-N 3.1Å
86T90.5Very high89.5Confident19 Ų1954.8 Ų54.812%0.11725%0.253CS..Hα-helixtrans-62.2-49.8178.1-57.80000110.7E82 I83 R88 K89 I90 Q865E82-T86 WeakPolarHBondContact O-CB 3.41Å; E82-T86 PolarHBondContact O-N 2.98Å; E82-T86 PolarHBondContact O-OG1 2.82Å; I83-T86 WeakPolarHBondContact O-CB 3.41Å; I83-T86 PolarHBondContact O-N 3.35Å; T86-R88 VanDerWaalsContact C-N 3.35Å; T86-R88 PolarHBondContact O-N 2.76Å; T86-K89 PolarHBondContact O-N 2.96Å; T86-I90 HydrophobicContact CG2-CD1 4.19Å; T86-I90 WeakPolarHBondContact O-CG1 3.35Å; T86-I90 PolarHBondContact O-N 3.02Å; T86-Q865 HydrophobicContact CG2-CG 4.28Å; T86-Q865 PolarHBondContact OG1-NE2 3.47Å; T86-Q865 VanDerWaalsContact OG1-NE2 3.15Å
87V90.6Very high89.1Confident6 Ų655.3 Ų55.34%0.03626%0.262CS..Hα-helixtrans-60.9-43.5177.31790000110.8I83 K89 I90 I91 Q113 M116 I117I83-V87 WeakPolarHBondContact O-CG2 3.49Å; I83-V87 PolarHBondContact O-N 2.72Å; V87-K89 VanDerWaalsContact C-N 3.29Å; V87-K89 PolarHBondContact O-N 2.84Å; V87-I90 WeakPolarHBondContact O-CA 3.29Å; V87-I90 WeakPolarHBondContact O-CB 3.39Å; V87-I90 PolarHBondContact O-N 2.99Å; V87-I91 HydrophobicContact CG1-CG1 4.06Å; V87-I91 WeakPolarHBondContact O-CG1 3.37Å; V87-I91 PolarHBondContact O-N 3.4Å; V87-Q113 HydrophobicContact CG1-CG 4.01Å; V87-M116 HydrophobicContact CG1-CB 3.73Å; V87-M116 HydrophobicContact CG2-CB 4.28Å; V87-I117 HydrophobicContact CB-CG1 4.29Å; V87-I117 HydrophobicContact CG1-CG1 4.18Å; V87-I117 HydrophobicContact CG2-CG1 4.25Å
88R90.8Very high88.5Confident125 Ų12551.5 Ų51.547%0.47224%0.241SC..Hα-helixtrans-58.6-38.4177.5-162.4-173.1-54.91135.1112.6H84 N85 T86 R92H84-R88 VanDerWaalsContact O-CB 3.32Å; H84-R88 WeakPolarHBondContact O-CB 3.45Å; H84-R88 PolarHBondContact O-N 2.8Å; N85-R88 PolarHBondContact O-N 3.26Å; N85-R88 PolarHBondContact OD1-NH1 3.4Å; T86-R88 VanDerWaalsContact C-N 3.35Å; T86-R88 PolarHBondContact O-N 2.76Å; R88-R92 WeakPolarHBondContact O-CB 3.46Å; R88-R92 PolarHBondContact O-N 2.88Å
89K86.4Confident87.7Confident42 Ų4245.9 Ų45.918%0.18322%0.215CC..Hα-helixtrans-67-39.5173.4-72.5174-176.4172.60112.1N85 T86 V87 D93 Q865 W869N85-K89 WeakPolarHBondContact O-CG 3.3Å; N85-K89 PolarHBondContact O-N 3.1Å; T86-K89 PolarHBondContact O-N 2.96Å; V87-K89 VanDerWaalsContact C-N 3.29Å; V87-K89 PolarHBondContact O-N 2.84Å; K89-D93 PolarHBondContact O-N 3.45Å; K89-D93 VanDerWaalsContact O-N 3.16Å; K89-Q865 VanDerWaalsContact CE-OE1 3.3Å; K89-W869 HydrophobicContact CB-CD2 3.99Å; K89-W869 HydrophobicContact CB-CE3 4.24Å; K89-W869 HydrophobicContact CB-CH2 4.11Å; K89-W869 HydrophobicContact CB-CZ2 3.79Å; K89-W869 HydrophobicContact CB-CZ3 4.32Å; K89-W869 HydrophobicContact CD-CD2 4.08Å; K89-W869 HydrophobicContact CD-CE3 4.05Å; K89-W869 HydrophobicContact CD-CG 4.33Å
90I86.2Confident87.2Confident43 Ų4348.4 Ų48.422%0.22123%0.234CC..Hα-helixtrans-62.6-50.7175.1-63.3164000111T86 V87 R92 D93 F94 M116 W869T86-I90 HydrophobicContact CG2-CD1 4.19Å; T86-I90 WeakPolarHBondContact O-CG1 3.35Å; T86-I90 PolarHBondContact O-N 3.02Å; V87-I90 WeakPolarHBondContact O-CA 3.29Å; V87-I90 WeakPolarHBondContact O-CB 3.39Å; V87-I90 PolarHBondContact O-N 2.99Å; I90-R92 PolarHBondContact O-N 3.37Å; I90-D93 PolarHBondContact O-N 2.88Å; I90-F94 HydrophobicContact CG2-CB 4.42Å; I90-F94 HydrophobicContact CG2-CD2 4.37Å; I90-F94 WeakPolarHBondContact O-CA 3.4Å; I90-F94 WeakPolarHBondContact O-CB 3.44Å; I90-F94 PolarHBondContact O-N 3.35Å; I90-M116 HydrophobicContact CD1-CE 3.94Å; I90-M116 HydrophobicContact CG2-CE 3.97Å; I90-M116 HydrophobicContact CG2-SD 4.05Å; I90-W869 HydrophobicContact CG1-CH2 3.57Å; I90-W869 HydrophobicContact CG1-CZ2 4Å
91I86.2Confident86.6Confident6 Ų651.9 Ų51.93%0.03126%0.257CS..Iπ-helixtrans-59.1-46.9179.6-61.8-61000110.5V87 D93 V95 I96 V112 Q113 M116V87-I91 HydrophobicContact CG1-CG1 4.06Å; V87-I91 WeakPolarHBondContact O-CG1 3.37Å; V87-I91 PolarHBondContact O-N 3.4Å; I91-D93 PolarHBondContact O-N 3.01Å; I91-V95 HydrophobicContact CD1-CB 4.43Å; I91-V95 HydrophobicContact CD1-CG2 3.88Å; I91-V95 HydrophobicContact CG2-CB 4.42Å; I91-V95 WeakPolarHBondContact O-CA 3.03Å; I91-V95 WeakPolarHBondContact O-CB 3.4Å; I91-V95 PolarHBondContact O-N 3.03Å; I91-V95 VanDerWaalsContact O-N 3.1Å; I91-I96 HydrophobicContact CG2-CD1 3.95Å; I91-I96 HydrophobicContact CG2-CG1 3.93Å; I91-I96 WeakPolarHBondContact O-CG1 3.44Å; I91-I96 PolarHBondContact O-N 2.66Å; I91-V112 HydrophobicContact CD1-CB 4.28Å; I91-V112 HydrophobicContact CD1-CG1 3.77Å; I91-Q113 HydrophobicContact CD1-CB 4.19Å; I91-Q113 HydrophobicContact CG1-CB 3.98Å; I91-Q113 HydrophobicContact CG1-CG 4.1Å; I91-M116 HydrophobicContact CD1-SD 4.22Å
92R88.1Confident85.7Confident106 Ų10648.8 Ų48.840%0.425%0.245SC..Iπ-helixtrans-53.9-51.6177.9-171.6-170.171.7-166-5.4113R88 I90 G872R88-R92 WeakPolarHBondContact O-CB 3.46Å; R88-R92 PolarHBondContact O-N 2.88Å; I90-R92 PolarHBondContact O-N 3.37Å; R92-G872 PolarHBondContact NH1-O 2.93Å; R92-G872 PolarHBondContact NH2-O 3.43Å
93D81.1Confident85.1Confident31 Ų3148.6 Ų48.617%0.16625%0.246CC..Iπ-helixtrans-99.1-22.9-166.7-65.1-13.9000114.3K89 I90 I91 S97 W869 L874K89-D93 PolarHBondContact O-N 3.45Å; K89-D93 VanDerWaalsContact O-N 3.16Å; I90-D93 PolarHBondContact O-N 2.88Å; I91-D93 PolarHBondContact O-N 3.01Å; D93-S97 VanDerWaalsContact O-CB 3.22Å; D93-S97 WeakPolarHBondContact O-CB 3.29Å; D93-S97 PolarHBondContact O-OG 2.96Å; D93-W869 PolarHBondContact OD2-NE1 2.98Å; D93-L874 HydrophobicContact CB-CB 4.42Å; D93-L874 HydrophobicContact CB-CD2 4.28Å
94F80.5Confident84.4Confident83 Ų8354.8 Ų54.836%0.36429%0.285SS..Iπ-helixtrans-116.8-7.5-177.1-61.4-73.7000114.8I90 W98 W869 L874I90-F94 HydrophobicContact CG2-CB 4.42Å; I90-F94 HydrophobicContact CG2-CD2 4.37Å; I90-F94 WeakPolarHBondContact O-CA 3.4Å; I90-F94 WeakPolarHBondContact O-CB 3.44Å; I90-F94 PolarHBondContact O-N 3.35Å; F94-W98 VanDerWaalsContact O-CD1 3.25Å; F94-W98 PolarHBondContact O-NE1 2.67Å; F94-W869 HydrophobicContact CD2-CZ2 4.19Å; F94-W869 AromaticContact CE2-CZ2 3.73Å; F94-W869 HydrophobicContact CE2-CZ2 3.73Å; F94-L874 HydrophobicContact CE1-CD2 4.21Å; F94-L874 HydrophobicContact CE2-CD1 4.41Å; F94-L874 HydrophobicContact CZ-CD1 3.86Å; F94-L874 HydrophobicContact CZ-CD2 4.05Å
95V81.4Confident83.9Confident14 Ų1457 Ų579%0.08530%0.295CS..Iπ-helixtrans-116.2-63.9173.3-174.90000111.1I91 S97 W98 Y99 F108 V112I91-V95 HydrophobicContact CD1-CB 4.43Å; I91-V95 HydrophobicContact CD1-CG2 3.88Å; I91-V95 HydrophobicContact CG2-CB 4.42Å; I91-V95 WeakPolarHBondContact O-CA 3.03Å; I91-V95 WeakPolarHBondContact O-CB 3.4Å; I91-V95 PolarHBondContact O-N 3.03Å; I91-V95 VanDerWaalsContact O-N 3.1Å; V95-S97 PolarHBondContact O-N 3.35Å; V95-W98 PolarHBondContact O-N 3.28Å; V95-W98 PolarHBondContact O-NE1 2.98Å; V95-Y99 VanDerWaalsContact O-CB 3.22Å; V95-Y99 WeakPolarHBondContact O-CB 3.23Å; V95-Y99 PolarHBondContact O-N 3.06Å; V95-F108 HydrophobicContact CG1-CE1 4.01Å; V95-V112 HydrophobicContact CG2-CG1 4.28Å
96I83.1Confident83.3Confident61 Ų6158.3 Ų58.331%0.31331%0.308SS..Iπ-helixtrans-59.4-37.7-176.5-59.9-178.6000111.1I91 W98 Y99 S100 E109I91-I96 HydrophobicContact CG2-CD1 3.95Å; I91-I96 HydrophobicContact CG2-CG1 3.93Å; I91-I96 WeakPolarHBondContact O-CG1 3.44Å; I91-I96 PolarHBondContact O-N 2.66Å; I96-W98 PolarHBondContact O-N 3.28Å; I96-W98 VanDerWaalsContact O-N 3.13Å; I96-Y99 PolarHBondContact O-N 3.37Å; I96-S100 VanDerWaalsContact O-CB 3.27Å; I96-S100 WeakPolarHBondContact O-CB 3.27Å; I96-S100 PolarHBondContact O-N 3.38Å; I96-S100 VanDerWaalsContact O-N 3.12Å; I96-S100 PolarHBondContact O-OG 2.82Å; I96-E109 HydrophobicContact CG1-CG 4.32Å
97S80.4Confident82.9Confident57 Ų5758.7 Ų58.740%0.39932%0.315SS..Hα-helixtrans-54.3-30.9-17862.60000114.9D93 V95D93-S97 VanDerWaalsContact O-CB 3.22Å; D93-S97 WeakPolarHBondContact O-CB 3.29Å; D93-S97 PolarHBondContact O-OG 2.96Å; V95-S97 PolarHBondContact O-N 3.35Å
98W80.2Confident82.5Confident70 Ų7058.7 Ų58.727%0.26532%0.315SS..Hα-helixtrans-110-37.7173.366-94.6000112.3F94 V95 I96 S100 T101 V102 F108 V682 L685F94-W98 VanDerWaalsContact O-CD1 3.25Å; F94-W98 PolarHBondContact O-NE1 2.67Å; V95-W98 PolarHBondContact O-N 3.28Å; V95-W98 PolarHBondContact O-NE1 2.98Å; I96-W98 PolarHBondContact O-N 3.28Å; I96-W98 VanDerWaalsContact O-N 3.13Å; W98-S100 VanDerWaalsContact C-N 3.34Å; W98-S100 PolarHBondContact O-N 2.82Å; W98-T101 WeakPolarHBondContact O-CB 3.3Å; W98-T101 PolarHBondContact O-N 2.99Å; W98-T101 PolarHBondContact O-OG1 2.75Å; W98-V102 HydrophobicContact CE3-CG2 4.22Å; W98-V102 HydrophobicContact CZ3-CG2 4.41Å; W98-F108 HydrophobicContact CH2-CE1 4.04Å; W98-F108 HydrophobicContact CH2-CZ 4.46Å; W98-F108 HydrophobicContact CZ2-CE1 4.35Å; W98-V682 HydrophobicContact CH2-CG2 4.09Å; W98-V682 HydrophobicContact CZ3-CG2 3.5Å; W98-L685 HydrophobicContact CH2-CD1 3.83Å; W98-L685 HydrophobicContact CZ2-CD1 4.21Å
99Y77.2Confident82.1Confident0 Ų054.5 Ų54.50%030%0.3CS..Hα-helixtrans-63.9-38.3-173.6176.2-101.2000112.7V95 I96 T101 V102 S103 E105 F108 E109 V682 K686V95-Y99 VanDerWaalsContact O-CB 3.22Å; V95-Y99 WeakPolarHBondContact O-CB 3.23Å; V95-Y99 PolarHBondContact O-N 3.06Å; I96-Y99 PolarHBondContact O-N 3.37Å; Y99-T101 PolarHBondContact O-N 3.25Å; Y99-V102 PolarHBondContact O-N 2.68Å; Y99-S103 PolarHBondContact O-N 2.72Å; Y99-S103 PolarHBondContact OH-OG 2.92Å; Y99-E105 VanDerWaalsContact CE1-O 3.23Å; Y99-E105 WeakPolarHBondContact CE1-O 3.42Å; Y99-E105 PolarHBondContact OH-O 2.72Å; Y99-F108 HydrophobicContact CD1-CD1 4.11Å; Y99-F108 AromaticContact CD2-CD1 3.42Å; Y99-F108 HydrophobicContact CD2-CD1 3.42Å; Y99-F108 VanDerWaalsContact CD2-CD1 3.42Å; Y99-F108 AromaticContact CD2-CE1 3.75Å; Y99-F108 HydrophobicContact CD2-CE1 3.75Å; Y99-F108 HydrophobicContact CD2-CG 4.36Å; Y99-F108 HydrophobicContact CE1-CB 4.24Å; Y99-F108 HydrophobicContact CE1-CD1 4.06Å; Y99-F108 HydrophobicContact CE2-CB 4.01Å; Y99-F108 AromaticContact CE2-CD1 3.36Å; Y99-F108 HydrophobicContact CE2-CD1 3.36Å; Y99-F108 HydrophobicContact CE2-CE1 4.09Å; Y99-F108 AromaticContact CE2-CG 3.87Å; Y99-F108 HydrophobicContact CE2-CG 3.87Å; Y99-F108 AromaticContact CG-CD1 3.8Å; Y99-F108 HydrophobicContact CG-CD1 3.8Å; Y99-F108 HydrophobicContact CG-CE1 4.17Å; Y99-F108 AromaticContact CZ-CD1 3.69Å; Y99-F108 WeakPolarHBondContact OH-CB 3.43Å; Y99-E109 HydrophobicContact CD1-CG 3.63Å; Y99-E109 WeakPolarHBondContact CD1-OE1 3.25Å; Y99-E109 HydrophobicContact CE1-CG 3.79Å; Y99-V682 HydrophobicContact CD2-CG2 4.41Å; Y99-V682 HydrophobicContact CE2-CG1 4.18Å; Y99-K686 WeakPolarHBondContact OH-CE 3.09Å; Y99-K686 PolarHBondContact OH-NZ 3.16Å
100S82.7Confident82.1Confident65 Ų6556.7 Ų56.746%0.45531%0.314SS..THydrogen-bonded Turntrans-60-16.117462.40000114.3I96 W98I96-S100 VanDerWaalsContact O-CB 3.27Å; I96-S100 WeakPolarHBondContact O-CB 3.27Å; I96-S100 PolarHBondContact O-N 3.38Å; I96-S100 VanDerWaalsContact O-N 3.12Å; I96-S100 PolarHBondContact O-OG 2.82Å; W98-S100 VanDerWaalsContact C-N 3.34Å; W98-S100 PolarHBondContact O-N 2.82Å
101T82.3Confident82Confident112 Ų11255.4 Ų55.469%0.68731%0.307SS*.THydrogen-bonded Turntrans-84.6-11.6173.576.80000113.3W98 Y99W98-T101 WeakPolarHBondContact O-CB 3.3Å; W98-T101 PolarHBondContact O-N 2.99Å; W98-T101 PolarHBondContact O-OG1 2.75Å; Y99-T101 PolarHBondContact O-N 3.25Å
102V75.4Confident81.9Confident38 Ų3855.8 Ų55.823%0.2331%0.309CS..THydrogen-bonded Turntrans-112.2-40.5-173.8-159.30000112W98 Y99 V678 N679 V682W98-V102 HydrophobicContact CE3-CG2 4.22Å; W98-V102 HydrophobicContact CZ3-CG2 4.41Å; Y99-V102 PolarHBondContact O-N 2.68Å; V102-V678 HydrophobicContact CB-CG1 4.37Å; V102-V678 HydrophobicContact CG1-CG1 4.01Å; V102-V678 HydrophobicContact CG2-CG1 3.39Å; V102-N679 WeakPolarHBondContact CG1-OD1 3.24Å; V102-V682 HydrophobicContact CB-CG2 4.29Å; V102-V682 HydrophobicContact CG1-CB 4.39Å; V102-V682 HydrophobicContact CG1-CG2 3.97Å; V102-V682 HydrophobicContact CG2-CG2 4.3Å
103S81.8Confident82Confident20 Ų2053.4 Ų53.414%0.1430%0.303CS..  trans-146.8153.7-174.9-173.60000110.7Y99 E105 K686Y99-S103 PolarHBondContact O-N 2.72Å; Y99-S103 PolarHBondContact OH-OG 2.92Å; S103-E105 PolarHBondContact OG-N 3.05Å; S103-K686 PolarHBondContact OG-NZ 2.98Å
104T79.9Confident82.3Confident146 Ų14656.9 Ų56.990%0.89632%0.318SS*.  trans-10710.3175.955.30000112.4
105E83.6Confident82.6Confident114 Ų11453 Ų5353%0.53330%0.301SS..  trans-91103.9-178.5-68159.6-150.200110.2Y99 S103 G107 K686Y99-E105 VanDerWaalsContact CE1-O 3.23Å; Y99-E105 WeakPolarHBondContact CE1-O 3.42Å; Y99-E105 PolarHBondContact OH-O 2.72Å; S103-E105 PolarHBondContact OG-N 3.05Å; E105-G107 PolarHBondContact O-N 3.48Å; E105-K686 IonicContact OE2-NZ 2.72Å; E105-K686 PolarHBondContact OE2-NZ 3.45Å
106S79.9Confident83Confident67 Ų6755.1 Ų55.147%0.46931%0.311SS..THydrogen-bonded Turntrans-66.3-14.4-178.953.20000114.8F108 E109 L110S106-F108 PolarHBondContact O-N 3.39Å; S106-E109 WeakPolarHBondContact O-CA 3.47Å; S106-E109 WeakPolarHBondContact O-CB 3.26Å; S106-E109 PolarHBondContact O-N 2.98Å; S106-L110 PolarHBondContact O-N 3.33Å; S106-L110 VanDerWaalsContact O-N 3.08Å
107G83.3Confident83.4Confident27 Ų2753.5 Ų53.528%0.27830%0.302SS..Hα-helixtrans-55.1-36.6-179.300000113.7E105 E111E105-G107 PolarHBondContact O-N 3.48Å; G107-E111 WeakPolarHBondContact O-CB 3.37Å; G107-E111 PolarHBondContact O-N 2.9Å
108F81.6Confident83.9Confident5 Ų553.2 Ų53.22%0.02230%0.3CS..Hα-helixtrans-68.3-35.4174.1173.7-104.3000113.2V95 W98 Y99 S106 L110 V112 L685 K686 F689V95-F108 HydrophobicContact CG1-CE1 4.01Å; W98-F108 HydrophobicContact CH2-CE1 4.04Å; W98-F108 HydrophobicContact CH2-CZ 4.46Å; W98-F108 HydrophobicContact CZ2-CE1 4.35Å; Y99-F108 HydrophobicContact CD1-CD1 4.11Å; Y99-F108 AromaticContact CD2-CD1 3.42Å; Y99-F108 HydrophobicContact CD2-CD1 3.42Å; Y99-F108 VanDerWaalsContact CD2-CD1 3.42Å; Y99-F108 AromaticContact CD2-CE1 3.75Å; Y99-F108 HydrophobicContact CD2-CE1 3.75Å; Y99-F108 HydrophobicContact CD2-CG 4.36Å; Y99-F108 HydrophobicContact CE1-CB 4.24Å; Y99-F108 HydrophobicContact CE1-CD1 4.06Å; Y99-F108 HydrophobicContact CE2-CB 4.01Å; Y99-F108 AromaticContact CE2-CD1 3.36Å; Y99-F108 HydrophobicContact CE2-CD1 3.36Å; Y99-F108 HydrophobicContact CE2-CE1 4.09Å; Y99-F108 AromaticContact CE2-CG 3.87Å; Y99-F108 HydrophobicContact CE2-CG 3.87Å; Y99-F108 AromaticContact CG-CD1 3.8Å; Y99-F108 HydrophobicContact CG-CD1 3.8Å; Y99-F108 HydrophobicContact CG-CE1 4.17Å; Y99-F108 AromaticContact CZ-CD1 3.69Å; Y99-F108 WeakPolarHBondContact OH-CB 3.43Å; S106-F108 PolarHBondContact O-N 3.39Å; F108-L110 VanDerWaalsContact C-N 3.34Å; F108-V112 HydrophobicContact CD2-CG2 4.1Å; F108-V112 HydrophobicContact CE1-CG2 4.16Å; F108-V112 HydrophobicContact CE2-CG2 3.58Å; F108-V112 HydrophobicContact CZ-CG2 3.61Å; F108-V112 WeakPolarHBondContact O-CG2 3.39Å; F108-V112 PolarHBondContact O-N 2.72Å; F108-V112 VanDerWaalsContact O-N 3.1Å; F108-L685 HydrophobicContact CE2-CB 3.72Å; F108-L685 HydrophobicContact CZ-CB 3.82Å; F108-L685 HydrophobicContact CZ-CD1 4.13Å; F108-L685 HydrophobicContact CZ-CG 4.5Å; F108-K686 HydrophobicContact CD2-CG 4.11Å; F108-K686 HydrophobicContact CG-CG 4.46Å; F108-F689 HydrophobicContact CE2-CD2 4.03Å
109E83.6Confident84.4Confident37 Ų3752.1 Ų52.117%0.17330%0.299CS..Hα-helixtrans-67.8-38.9179.1-53.6176.4149.500110.4I96 Y99 S106 Q113I96-E109 HydrophobicContact CG1-CG 4.32Å; Y99-E109 HydrophobicContact CD1-CG 3.63Å; Y99-E109 WeakPolarHBondContact CD1-OE1 3.25Å; Y99-E109 HydrophobicContact CE1-CG 3.79Å; S106-E109 WeakPolarHBondContact O-CA 3.47Å; S106-E109 WeakPolarHBondContact O-CB 3.26Å; S106-E109 PolarHBondContact O-N 2.98Å; E109-Q113 WeakPolarHBondContact O-CB 3.49Å; E109-Q113 PolarHBondContact O-N 3.32Å; E109-Q113 VanDerWaalsContact O-N 3.08Å
110L85.9Confident85.1Confident89 Ų8953.3 Ų53.347%0.46631%0.309SS..Hα-helixtrans-66.8-49.6173.8-65.2173000111.9S106 F108 V112 Q113 E114S106-L110 PolarHBondContact O-N 3.33Å; S106-L110 VanDerWaalsContact O-N 3.08Å; F108-L110 VanDerWaalsContact C-N 3.34Å; L110-V112 VanDerWaalsContact C-N 3.31Å; L110-V112 PolarHBondContact O-N 2.97Å; L110-Q113 WeakPolarHBondContact O-CA 3.41Å; L110-Q113 WeakPolarHBondContact O-CB 3.44Å; L110-Q113 PolarHBondContact O-N 3.3Å; L110-E114 PolarHBondContact O-N 3.32Å
111E84.8Confident85.5Confident16 Ų1653.4 Ų53.48%0.07530%0.303CS..Hα-helixtrans-58.8-41.1-179.4-151.480.5-131.300112G107 A115 H208 F689 H691G107-E111 WeakPolarHBondContact O-CB 3.37Å; G107-E111 PolarHBondContact O-N 2.9Å; E111-A115 VanDerWaalsContact O-CB 3.28Å; E111-A115 WeakPolarHBondContact O-CB 3.38Å; E111-A115 PolarHBondContact O-N 3.44Å; E111-H208 IonicContact OE1-CE1 3.66Å; E111-F689 HydrophobicContact CB-CB 4.11Å; E111-F689 HydrophobicContact CG-CB 3.72Å; E111-H691 WeakPolarHBondContact OE2-CA 3.38Å; E111-H691 IonicContact OE2-CG 2.84Å; E111-H691 IonicContact OE2-ND1 2.7Å; E111-H691 PolarHBondContact OE2-ND1 2.8Å; E111-H691 VanDerWaalsContact OE2-ND1 3.11Å
112V84.2Confident86Confident13 Ų1351.9 Ų51.98%0.07929%0.287CS..Hα-helixtrans-69.6-37.2175177.30000111.1I91 V95 F108 L110 M116 F689I91-V112 HydrophobicContact CD1-CB 4.28Å; I91-V112 HydrophobicContact CD1-CG1 3.77Å; V95-V112 HydrophobicContact CG2-CG1 4.28Å; F108-V112 HydrophobicContact CD2-CG2 4.1Å; F108-V112 HydrophobicContact CE1-CG2 4.16Å; F108-V112 HydrophobicContact CE2-CG2 3.58Å; F108-V112 HydrophobicContact CZ-CG2 3.61Å; F108-V112 WeakPolarHBondContact O-CG2 3.39Å; F108-V112 PolarHBondContact O-N 2.72Å; F108-V112 VanDerWaalsContact O-N 3.1Å; L110-V112 VanDerWaalsContact C-N 3.31Å; L110-V112 PolarHBondContact O-N 2.97Å; V112-M116 HydrophobicContact CG1-CG 4.36Å; V112-M116 HydrophobicContact CG1-SD 4.33Å; V112-M116 WeakPolarHBondContact O-CB 3.36Å; V112-M116 VanDerWaalsContact O-CG 3.26Å; V112-M116 WeakPolarHBondContact O-CG 3.49Å; V112-M116 PolarHBondContact O-N 2.9Å; V112-F689 HydrophobicContact CG2-CD1 4.29Å; V112-F689 HydrophobicContact CG2-CD2 3.89Å; V112-F689 HydrophobicContact CG2-CE1 4.48Å; V112-F689 HydrophobicContact CG2-CE2 4.09Å; V112-F689 HydrophobicContact CG2-CG 4Å; V112-F689 HydrophobicContact CG2-CZ 4.38Å
113Q88.3Confident86.8Confident56 Ų5653.7 Ų53.726%0.26230%0.295SS..Hα-helixtrans-62.9-47175.4-169.8-177.3-95.700111.8V87 I91 E109 L110 M116 I117V87-Q113 HydrophobicContact CG1-CG 4.01Å; I91-Q113 HydrophobicContact CD1-CB 4.19Å; I91-Q113 HydrophobicContact CG1-CB 3.98Å; I91-Q113 HydrophobicContact CG1-CG 4.1Å; E109-Q113 WeakPolarHBondContact O-CB 3.49Å; E109-Q113 PolarHBondContact O-N 3.32Å; E109-Q113 VanDerWaalsContact O-N 3.08Å; L110-Q113 WeakPolarHBondContact O-CA 3.41Å; L110-Q113 WeakPolarHBondContact O-CB 3.44Å; L110-Q113 PolarHBondContact O-N 3.3Å; Q113-M116 PolarHBondContact O-N 3.01Å; Q113-I117 HydrophobicContact CG-CD1 3.93Å; Q113-I117 VanDerWaalsContact O-CG1 3.3Å; Q113-I117 WeakPolarHBondContact O-CG1 3.35Å; Q113-I117 PolarHBondContact O-N 3.23Å
114E88.4Confident87.2Confident104 Ų10454.5 Ų54.549%0.48630%0.296SS..Hα-helixtrans-67.1-39.4179.5-70.9-176.3-167.300112.1L110 I117 S118L110-E114 PolarHBondContact O-N 3.32Å; E114-I117 PolarHBondContact O-N 3.3Å; E114-S118 VanDerWaalsContact O-CB 3.28Å; E114-S118 WeakPolarHBondContact O-CB 3.47Å; E114-S118 PolarHBondContact O-N 3.29Å; E114-S118 PolarHBondContact O-OG 3.35Å
115A87.4Confident87.8Confident1 Ų152.1 Ų52.11%0.00828%0.275CS..Hα-helixtrans-61.3-45.5171.900000112E111 S118 M119 F689E111-A115 VanDerWaalsContact O-CB 3.28Å; E111-A115 WeakPolarHBondContact O-CB 3.38Å; E111-A115 PolarHBondContact O-N 3.44Å; A115-S118 PolarHBondContact O-N 2.88Å; A115-M119 VanDerWaalsContact O-CG 3.27Å; A115-M119 WeakPolarHBondContact O-CG 3.31Å; A115-M119 PolarHBondContact O-N 2.86Å; A115-F689 HydrophobicContact CB-CD1 3.93Å; A115-F689 HydrophobicContact CB-CE1 3.67Å
116M88.5Confident88.1Confident59 Ų5948.6 Ų48.629%0.29126%0.256SS..Hα-helixtrans-67.8-38.7179-72.8-164.778.100113.1V87 I90 I91 V112 Q113 A120V87-M116 HydrophobicContact CG1-CB 3.73Å; V87-M116 HydrophobicContact CG2-CB 4.28Å; I90-M116 HydrophobicContact CD1-CE 3.94Å; I90-M116 HydrophobicContact CG2-CE 3.97Å; I90-M116 HydrophobicContact CG2-SD 4.05Å; I91-M116 HydrophobicContact CD1-SD 4.22Å; V112-M116 HydrophobicContact CG1-CG 4.36Å; V112-M116 HydrophobicContact CG1-SD 4.33Å; V112-M116 WeakPolarHBondContact O-CB 3.36Å; V112-M116 VanDerWaalsContact O-CG 3.26Å; V112-M116 WeakPolarHBondContact O-CG 3.49Å; V112-M116 PolarHBondContact O-N 2.9Å; Q113-M116 PolarHBondContact O-N 3.01Å; M116-A120 WeakPolarHBondContact O-CB 3.37Å; M116-A120 PolarHBondContact O-N 2.72Å
117I91.5Very high88.5Confident27 Ų2747.2 Ų47.214%0.13825%0.249CC..Hα-helixtrans-61.6-48.3171.5-69.9161.8000109.5V87 Q113 E114 M119 A120 M121V87-I117 HydrophobicContact CB-CG1 4.29Å; V87-I117 HydrophobicContact CG1-CG1 4.18Å; V87-I117 HydrophobicContact CG2-CG1 4.25Å; Q113-I117 HydrophobicContact CG-CD1 3.93Å; Q113-I117 VanDerWaalsContact O-CG1 3.3Å; Q113-I117 WeakPolarHBondContact O-CG1 3.35Å; Q113-I117 PolarHBondContact O-N 3.23Å; E114-I117 PolarHBondContact O-N 3.3Å; I117-M119 VanDerWaalsContact C-N 3.34Å; I117-M119 PolarHBondContact O-N 2.91Å; I117-A120 PolarHBondContact O-N 2.75Å; I117-A120 VanDerWaalsContact O-N 3.1Å; I117-M121 HydrophobicContact CG2-CG 4.11Å; I117-M121 WeakPolarHBondContact O-CG 3.2Å; I117-M121 PolarHBondContact O-N 3.11Å
118S91.1Very high88.7Confident51 Ų5153.2 Ų53.236%0.35727%0.267SS..Hα-helixtrans-59.9-41.9-179.9-61.80000112.6E114 A115 M121 K122E114-S118 VanDerWaalsContact O-CB 3.28Å; E114-S118 WeakPolarHBondContact O-CB 3.47Å; E114-S118 PolarHBondContact O-N 3.29Å; E114-S118 PolarHBondContact O-OG 3.35Å; A115-S118 PolarHBondContact O-N 2.88Å; S118-M121 PolarHBondContact O-N 3.42Å; S118-K122 WeakPolarHBondContact O-CB 3.44Å; S118-K122 PolarHBondContact O-N 2.96Å
119M90.8Very high89Confident47 Ų4760 Ų6023%0.23230%0.299CS..Hα-helixtrans-60.6-45.1172.8-71.317172.100112.1A115 I117 K122 L123 L200 L203 V204A115-M119 VanDerWaalsContact O-CG 3.27Å; A115-M119 WeakPolarHBondContact O-CG 3.31Å; A115-M119 PolarHBondContact O-N 2.86Å; I117-M119 VanDerWaalsContact C-N 3.34Å; I117-M119 PolarHBondContact O-N 2.91Å; M119-K122 PolarHBondContact O-N 2.72Å; M119-L123 WeakPolarHBondContact O-CB 3.11Å; M119-L123 PolarHBondContact O-N 2.85Å; M119-L200 HydrophobicContact CE-CD2 4.11Å; M119-L203 WeakPolarHBondContact CA-O 3.43Å; M119-L203 HydrophobicContact CB-CB 4.38Å; M119-L203 HydrophobicContact CE-CB 4.47Å; M119-L203 HydrophobicContact CG-CB 4.27Å; M119-L203 WeakPolarHBondContact CG-O 3.41Å; M119-V204 HydrophobicContact CE-CG2 3.95Å; M119-V204 HydrophobicContact CG-CG2 4.07Å; M119-V204 HydrophobicContact SD-CG2 3.76Å
120A91.8Very high89.3Confident26 Ų2660.1 Ų60.122%0.21530%0.3CS..Hα-helixtrans-66.8-41.3179.500000112.2I83 M116 I117 K122 L123 K124I83-A120 HydrophobicContact CG2-CB 3.56Å; M116-A120 WeakPolarHBondContact O-CB 3.37Å; M116-A120 PolarHBondContact O-N 2.72Å; I117-A120 PolarHBondContact O-N 2.75Å; I117-A120 VanDerWaalsContact O-N 3.1Å; A120-K122 VanDerWaalsContact C-N 3.34Å; A120-K122 PolarHBondContact O-N 3.16Å; A120-L123 WeakPolarHBondContact O-CB 3.25Å; A120-L123 PolarHBondContact O-N 3.22Å; A120-K124 PolarHBondContact O-N 2.75Å
121M92.5Very high89.5Confident67 Ų6759.9 Ų59.933%0.3330%0.299SS..Hα-helixtrans-66.7-34.9174.5-64.7-54.5-7300111.8I83 I117 S118 K124 Q125I83-M121 HydrophobicContact CD1-SD 4.47Å; I117-M121 HydrophobicContact CG2-CG 4.11Å; I117-M121 WeakPolarHBondContact O-CG 3.2Å; I117-M121 PolarHBondContact O-N 3.11Å; S118-M121 PolarHBondContact O-N 3.42Å; M121-K124 HydrophobicContact CE-CD 4.35Å; M121-K124 PolarHBondContact O-N 2.7Å; M121-K124 HydrophobicContact SD-CD 4.45Å; M121-Q125 PolarHBondContact O-N 2.69Å
122K91.8Very high89.7Confident80 Ų8064.1 Ų64.135%0.34832%0.315SS..Hα-helixtrans-68.9-36.8173.8-164.567.6-175.5171.80112.2S118 M119 A120 Q125 R126 L203S118-K122 WeakPolarHBondContact O-CB 3.44Å; S118-K122 PolarHBondContact O-N 2.96Å; M119-K122 PolarHBondContact O-N 2.72Å; A120-K122 VanDerWaalsContact C-N 3.34Å; A120-K122 PolarHBondContact O-N 3.16Å; K122-Q125 PolarHBondContact O-N 3.04Å; K122-R126 PolarHBondContact O-N 3.27Å; K122-L203 HydrophobicContact CB-CD2 4.36Å; K122-L203 HydrophobicContact CG-CD2 4.28Å
123L91.5Very high89.9Confident75 Ų7568.5 Ų68.539%0.39333%0.332SS..Hα-helixtrans-65.3-45.6171.9-179.958.7000111.4M119 A120 Q125 R126 A127 L203 L947M119-L123 WeakPolarHBondContact O-CB 3.11Å; M119-L123 PolarHBondContact O-N 2.85Å; A120-L123 WeakPolarHBondContact O-CB 3.25Å; A120-L123 PolarHBondContact O-N 3.22Å; L123-Q125 VanDerWaalsContact C-N 3.32Å; L123-Q125 PolarHBondContact O-N 3.19Å; L123-R126 PolarHBondContact O-N 3.01Å; L123-A127 WeakPolarHBondContact O-CB 3.33Å; L123-A127 PolarHBondContact O-N 3.41Å; L123-L203 HydrophobicContact CB-CD2 4.33Å; L123-L947 HydrophobicContact CD1-CD1 3.51Å; L123-L947 HydrophobicContact CD1-CD2 4Å; L123-L947 HydrophobicContact CD1-CG 4.44Å
124K91.9Very high89.9Confident38 Ų3870.1 Ų70.117%0.16534%0.34CS..Hα-helixtrans-55.7-45.5172179.2179174176.60111.4E76 L79 D80 I83 A120 M121 K128E76-K124 PolarHBondContact O-NZ 2.84Å; E76-K124 WeakPolarHBondContact OE2-CE 3.21Å; E76-K124 IonicContact OE2-NZ 3.98Å; E76-K124 PolarHBondContact OE2-NZ 2.97Å; L79-K124 HydrophobicContact CD2-CD 4.15Å; D80-K124 WeakPolarHBondContact OD1-CD 3.18Å; D80-K124 WeakPolarHBondContact OD1-CE 3.38Å; D80-K124 IonicContact OD1-NZ 2.81Å; D80-K124 PolarHBondContact OD1-NZ 2.88Å; D80-K124 IonicContact OD2-NZ 3.79Å; D80-K124 PolarHBondContact OD2-NZ 3.35Å; I83-K124 HydrophobicContact CD1-CD 4.28Å; A120-K124 PolarHBondContact O-N 2.75Å; M121-K124 HydrophobicContact CE-CD 4.35Å; M121-K124 PolarHBondContact O-N 2.7Å; M121-K124 HydrophobicContact SD-CD 4.45Å; K124-K128 PolarHBondContact O-N 3.26Å
125Q91.2Very high90Very high96 Ų9666.7 Ų66.745%0.44933%0.325SS..Hα-helixtrans-59.8-50.9176.2-171.2-174.827.900111.6M121 K122 L123 K128 H129M121-Q125 PolarHBondContact O-N 2.69Å; K122-Q125 PolarHBondContact O-N 3.04Å; L123-Q125 VanDerWaalsContact C-N 3.32Å; L123-Q125 PolarHBondContact O-N 3.19Å; Q125-K128 WeakPolarHBondContact O-CB 3.4Å; Q125-K128 PolarHBondContact O-N 2.98Å; Q125-H129 PolarHBondContact O-CD2 2.68Å
126R90.9Very high90.2Very high40 Ų4067.3 Ų67.315%0.15133%0.328CS..Hα-helixtrans-62.3-44.3-180-74.6177.8168.5-80.6-11112.1K122 L123 K128 H129 L947 E950K122-R126 PolarHBondContact O-N 3.27Å; L123-R126 PolarHBondContact O-N 3.01Å; R126-K128 PolarHBondContact O-N 3.24Å; R126-H129 PolarHBondContact O-N 3.25Å; R126-L947 HydrophobicContact CB-CD1 3.72Å; R126-L947 WeakPolarHBondContact CD-O 3.27Å; R126-L947 HydrophobicContact CG-CD1 4.45Å; R126-L947 PolarHBondContact NH1-O 2.88Å; R126-E950 IonicContact CZ-OE1 3.11Å; R126-E950 IonicContact CZ-OE2 2.66Å; R126-E950 IonicContact NH1-OE1 2.69Å; R126-E950 PolarHBondContact NH1-OE1 3.09Å; R126-E950 VanDerWaalsContact NH1-OE1 3.08Å; R126-E950 IonicContact NH1-OE2 2.67Å; R126-E950 PolarHBondContact NH1-OE2 3.38Å; R126-E950 IonicContact NH2-OE1 2.71Å; R126-E950 PolarHBondContact NH2-OE1 3.12Å; R126-E950 IonicContact NH2-OE2 3.99Å
127A88.5Confident90.3Very high37 Ų3766 Ų6631%0.30632%0.322SS..Hα-helixtrans-58-32.217800000113.2L123 H129 I130L123-A127 WeakPolarHBondContact O-CB 3.33Å; L123-A127 PolarHBondContact O-N 3.41Å; A127-H129 PolarHBondContact O-N 2.6Å; A127-I130 PolarHBondContact O-N 3.46Å
128K87.4Confident90.3Very high154 Ų15467.8 Ų67.867%0.6733%0.329SS*.Hα-helixtrans-66.9-20.5176-170.5165.8-176.2161.10113.9K124 Q125 R126K124-K128 PolarHBondContact O-N 3.26Å; Q125-K128 WeakPolarHBondContact O-CB 3.4Å; Q125-K128 PolarHBondContact O-N 2.98Å; R126-K128 PolarHBondContact O-N 3.24Å
129H87.4Confident90.4Very high148 Ų14868.4 Ų68.469%0.68533%0.33SS*.THydrogen-bonded Turntrans-97.8-3-179-67.7-68.3000114.4Q125 R126 A127 D131Q125-H129 PolarHBondContact O-CD2 2.68Å; R126-H129 PolarHBondContact O-N 3.25Å; A127-H129 PolarHBondContact O-N 2.6Å; H129-D131 PolarHBondContact O-N 3.31Å
130I90Very high90.4Very high38 Ų3867.8 Ų67.820%0.19533%0.327CS..SBendtrans-70.5129.3-179.5-61.1177.1000110.7A127 R132 L135 F946A127-I130 PolarHBondContact O-N 3.46Å; I130-R132 PolarHBondContact O-N 3.06Å; I130-L135 HydrophobicContact CG2-CB 4.16Å; I130-L135 HydrophobicContact CG2-CD2 4.09Å; I130-F946 HydrophobicContact CD1-CB 4.24Å; I130-F946 HydrophobicContact CG1-CB 4.26Å; I130-F946 HydrophobicContact CG2-CB 4Å; I130-F946 HydrophobicContact CG2-CD1 4.02Å; I130-F946 HydrophobicContact CG2-CG 4.08Å
131D89.6Confident90.5Very high84 Ų8470.5 Ų70.545%0.44934%0.338SS..  trans-67.1103169.4-171.8-33.9000109.8H129 K133 E134 L135H129-D131 PolarHBondContact O-N 3.31Å; D131-K133 PolarHBondContact O-N 2.94Å; D131-K133 WeakPolarHBondContact OD1-CA 3.3Å; D131-K133 VanDerWaalsContact OD1-CB 3.28Å; D131-K133 WeakPolarHBondContact OD1-CB 3.13Å; D131-K133 PolarHBondContact OD1-N 2.8Å; D131-E134 HydrophobicContact CB-CB 4.04Å; D131-E134 PolarHBondContact O-N 3.01Å; D131-E134 PolarHBondContact OD1-N 3.27Å; D131-L135 VanDerWaalsContact O-CB 3.29Å; D131-L135 WeakPolarHBondContact O-CB 3.4Å; D131-L135 PolarHBondContact O-N 3.38Å
132R88.3Confident90.6Very high106 Ų10668.7 Ų68.740%0.433%0.33SS..Hα-helixtrans-59.1-32.6178.5-60.1178.2-177.2-160.7-3.1112.3I130 T136 V848 A849 T852I130-R132 PolarHBondContact O-N 3.06Å; R132-T136 VanDerWaalsContact O-CB 3.3Å; R132-T136 WeakPolarHBondContact O-CB 3.38Å; R132-T136 PolarHBondContact O-N 3.08Å; R132-T136 PolarHBondContact O-OG1 3.3Å; R132-V848 HydrophobicContact CB-CG1 4.41Å; R132-A849 PolarHBondContact NH1-O 2.85Å; R132-T852 WeakPolarHBondContact CD-OG1 3.36Å; R132-T852 VanDerWaalsContact CZ-OG1 3.3Å; R132-T852 PolarHBondContact NE-OG1 2.55Å; R132-T852 PolarHBondContact NH1-OG1 3Å; R132-T852 VanDerWaalsContact NH1-OG1 3.09Å; R132-T852 PolarHBondContact NH2-O 2.82Å
133K88.3Confident90.6Very high104 Ų10467.2 Ų67.245%0.45233%0.327SS..Hα-helixtrans-74-45.4-179.7-72.3176.7167.6-77.10111.3D131 T136 Q137 Q804 D845D131-K133 PolarHBondContact O-N 2.94Å; D131-K133 WeakPolarHBondContact OD1-CA 3.3Å; D131-K133 VanDerWaalsContact OD1-CB 3.28Å; D131-K133 WeakPolarHBondContact OD1-CB 3.13Å; D131-K133 PolarHBondContact OD1-N 2.8Å; K133-T136 PolarHBondContact O-N 3.12Å; K133-Q137 WeakPolarHBondContact O-CB 3.23Å; K133-Q137 PolarHBondContact O-N 3.16Å; K133-Q804 VanDerWaalsContact CA-NE2 3.27Å; K133-Q804 PolarHBondContact O-NE2 3.23Å; K133-D845 WeakPolarHBondContact CE-OD1 3.4Å; K133-D845 IonicContact NZ-OD1 3.55Å; K133-D845 PolarHBondContact NZ-OD1 3.5Å; K133-D845 IonicContact NZ-OD2 3.8Å; K133-D845 PolarHBondContact NZ-OD2 3.03Å
134E90.2Very high90.6Very high90 Ų9063.9 Ų63.942%0.42131%0.311SS..Hα-helixtrans-66.3-43.6176.2-161.9-165.8157.600111.2D131 T136 Q137 K138 F946D131-E134 HydrophobicContact CB-CB 4.04Å; D131-E134 PolarHBondContact O-N 3.01Å; D131-E134 PolarHBondContact OD1-N 3.27Å; E134-T136 PolarHBondContact O-N 2.71Å; E134-Q137 WeakPolarHBondContact O-CB 3.15Å; E134-Q137 PolarHBondContact O-N 3.43Å; E134-Q137 VanDerWaalsContact O-N 3.12Å; E134-K138 PolarHBondContact O-N 2.99Å; E134-K138 WeakPolarHBondContact OE1-CE 3.14Å; E134-K138 IonicContact OE1-NZ 3.64Å; E134-K138 PolarHBondContact OE1-NZ 3.02Å; E134-F946 HydrophobicContact CB-CE1 4.04Å; E134-F946 HydrophobicContact CB-CZ 4.08Å; E134-F946 HydrophobicContact CG-CE1 4.1Å; E134-F946 HydrophobicContact CG-CZ 3.95Å
135L90.1Very high90.7Very high32 Ų3263 Ų6317%0.16831%0.313CS..Hα-helixtrans-55.2-52.5174177.468.3000111I130 D131 Q137 K138 V139 L942 L943 F946I130-L135 HydrophobicContact CG2-CB 4.16Å; I130-L135 HydrophobicContact CG2-CD2 4.09Å; D131-L135 VanDerWaalsContact O-CB 3.29Å; D131-L135 WeakPolarHBondContact O-CB 3.4Å; D131-L135 PolarHBondContact O-N 3.38Å; L135-Q137 VanDerWaalsContact C-N 3.26Å; L135-Q137 PolarHBondContact O-N 3.17Å; L135-K138 PolarHBondContact O-N 3.1Å; L135-V139 HydrophobicContact CD1-CG2 4.09Å; L135-V139 HydrophobicContact CG-CG2 4.4Å; L135-V139 WeakPolarHBondContact O-CB 3.35Å; L135-V139 VanDerWaalsContact O-CG2 3.3Å; L135-V139 WeakPolarHBondContact O-CG2 3.3Å; L135-V139 PolarHBondContact O-N 3.46Å; L135-L942 HydrophobicContact CD1-CD2 3.73Å; L135-L943 HydrophobicContact CD1-CD2 4.34Å; L135-F946 HydrophobicContact CB-CD2 4.41Å; L135-F946 HydrophobicContact CB-CE2 4.05Å; L135-F946 HydrophobicContact CB-CZ 4.14Å; L135-F946 HydrophobicContact CD1-CD2 3.51Å; L135-F946 HydrophobicContact CD1-CE2 3.62Å; L135-F946 HydrophobicContact CD1-CG 4.34Å; L135-F946 HydrophobicContact CG-CE2 4.46Å
136T90.5Very high90.9Very high14 Ų1458.7 Ų58.79%0.08629%0.293CS..Hα-helixtrans-55.6-43.5175.9-58.90000111.4R132 K133 E134 V139 L140 V848R132-T136 VanDerWaalsContact O-CB 3.3Å; R132-T136 WeakPolarHBondContact O-CB 3.38Å; R132-T136 PolarHBondContact O-N 3.08Å; R132-T136 PolarHBondContact O-OG1 3.3Å; K133-T136 PolarHBondContact O-N 3.12Å; E134-T136 PolarHBondContact O-N 2.71Å; T136-V139 PolarHBondContact O-N 3.21Å; T136-L140 HydrophobicContact CG2-CD1 3.85Å; T136-L140 HydrophobicContact CG2-CG 4.3Å; T136-L140 WeakPolarHBondContact O-CB 3.33Å; T136-L140 VanDerWaalsContact O-CG 3.25Å; T136-L140 WeakPolarHBondContact O-CG 3.46Å; T136-L140 PolarHBondContact O-N 2.9Å; T136-V848 HydrophobicContact CG2-CG2 4.02Å; T136-V848 WeakPolarHBondContact OG1-CG1 3.38Å
137Q90.6Very high91Very high32 Ų3257.1 Ų57.115%0.1529%0.288CS..Hα-helixtrans-65.9-42.6-179-177.358.69400112.3K133 E134 L135 N141 S803 Q804K133-Q137 WeakPolarHBondContact O-CB 3.23Å; K133-Q137 PolarHBondContact O-N 3.16Å; E134-Q137 WeakPolarHBondContact O-CB 3.15Å; E134-Q137 PolarHBondContact O-N 3.43Å; E134-Q137 VanDerWaalsContact O-N 3.12Å; L135-Q137 VanDerWaalsContact C-N 3.26Å; L135-Q137 PolarHBondContact O-N 3.17Å; Q137-N141 PolarHBondContact NE2-ND2 3.39Å; Q137-N141 PolarHBondContact NE2-OD1 3.25Å; Q137-N141 WeakPolarHBondContact O-CB 3.47Å; Q137-N141 VanDerWaalsContact O-CG 3.23Å; Q137-N141 PolarHBondContact O-N 3.42Å; Q137-N141 VanDerWaalsContact O-N 3.12Å; Q137-N141 PolarHBondContact O-ND2 2.84Å; Q137-N141 VanDerWaalsContact O-ND2 3.14Å; Q137-S803 PolarHBondContact OE1-O 3.42Å; Q137-Q804 HydrophobicContact CB-CG 4.34Å
138K92.9Very high91.3Very high65 Ų6557.7 Ų57.728%0.28328%0.284SS..Hα-helixtrans-68.6-43.3175.6-68.5-170.8-168153.50111.8E134 L135 N141 L142 L942 F946E134-K138 PolarHBondContact O-N 2.99Å; E134-K138 WeakPolarHBondContact OE1-CE 3.14Å; E134-K138 IonicContact OE1-NZ 3.64Å; E134-K138 PolarHBondContact OE1-NZ 3.02Å; L135-K138 PolarHBondContact O-N 3.1Å; K138-N141 PolarHBondContact O-N 2.77Å; K138-L142 WeakPolarHBondContact O-CB 3.36Å; K138-L142 PolarHBondContact O-N 2.66Å; K138-L942 HydrophobicContact CB-CD1 3.8Å; K138-L942 HydrophobicContact CB-CG 4.18Å; K138-F946 HydrophobicContact CB-CE2 4.43Å; K138-F946 HydrophobicContact CD-CE2 3.74Å; K138-F946 HydrophobicContact CD-CZ 3.7Å; K138-F946 HydrophobicContact CG-CE2 4.44Å; K138-F946 HydrophobicContact CG-CZ 4.32Å
139V91.8Very high91.6Very high63 Ų6352 Ų5238%0.38226%0.261SS..Hα-helixtrans-62.5-44.8178.3171.80000111.4L135 T136 N141 L142 V143 L942L135-V139 HydrophobicContact CD1-CG2 4.09Å; L135-V139 HydrophobicContact CG-CG2 4.4Å; L135-V139 WeakPolarHBondContact O-CB 3.35Å; L135-V139 VanDerWaalsContact O-CG2 3.3Å; L135-V139 WeakPolarHBondContact O-CG2 3.3Å; L135-V139 PolarHBondContact O-N 3.46Å; T136-V139 PolarHBondContact O-N 3.21Å; V139-N141 PolarHBondContact O-N 3.4Å; V139-L142 PolarHBondContact O-N 3.01Å; V139-V143 HydrophobicContact CG1-CG2 4.41Å; V139-V143 WeakPolarHBondContact O-CG2 3.26Å; V139-V143 PolarHBondContact O-N 2.86Å; V139-L942 HydrophobicContact CG2-CD1 4.23Å; V139-L942 HydrophobicContact CG2-CD2 3.78Å
140L91.4Very high92Very high34 Ų3445.3 Ų45.318%0.17823%0.23CC..Hα-helixtrans-60.8-43.3174.4-73.3173.4000111.6T136 L142 G144 Q804 V807 A808 I811 L844T136-L140 HydrophobicContact CG2-CD1 3.85Å; T136-L140 HydrophobicContact CG2-CG 4.3Å; T136-L140 WeakPolarHBondContact O-CB 3.33Å; T136-L140 VanDerWaalsContact O-CG 3.25Å; T136-L140 WeakPolarHBondContact O-CG 3.46Å; T136-L140 PolarHBondContact O-N 2.9Å; L140-L142 PolarHBondContact O-N 3.05Å; L140-G144 PolarHBondContact O-N 2.8Å; L140-Q804 HydrophobicContact CD1-CB 4.37Å; L140-V807 HydrophobicContact CB-CG1 3.89Å; L140-A808 HydrophobicContact CD1-CB 4.43Å; L140-I811 HydrophobicContact CB-CD1 4.11Å; L140-I811 HydrophobicContact CD2-CD1 4Å; L140-I811 WeakPolarHBondContact O-CD1 3.3Å; L140-L844 HydrophobicContact CD1-CD1 4.31Å
141N93.3Very high92.1Very high84 Ų8444.6 Ų44.645%0.44923%0.226SC..Hα-helixtrans-61.6-42.8175.9-74.8-27.3000112.1Q137 K138 V139 G144 G145 V807Q137-N141 PolarHBondContact NE2-ND2 3.39Å; Q137-N141 PolarHBondContact NE2-OD1 3.25Å; Q137-N141 WeakPolarHBondContact O-CB 3.47Å; Q137-N141 VanDerWaalsContact O-CG 3.23Å; Q137-N141 PolarHBondContact O-N 3.42Å; Q137-N141 VanDerWaalsContact O-N 3.12Å; Q137-N141 PolarHBondContact O-ND2 2.84Å; Q137-N141 VanDerWaalsContact O-ND2 3.14Å; K138-N141 PolarHBondContact O-N 2.77Å; V139-N141 PolarHBondContact O-N 3.4Å; N141-G144 PolarHBondContact O-N 2.81Å; N141-G145 PolarHBondContact O-N 2.97Å; N141-V807 VanDerWaalsContact OD1-CG1 3.28Å; N141-V807 WeakPolarHBondContact OD1-CG1 3.43Å; N141-V807 WeakPolarHBondContact OD1-CG2 3.38Å
142L94.6Very high92.2Very high29 Ų2943 Ų4315%0.15222%0.22CC..Hα-helixtrans-64.9-48.4179.3177.959.3000112K138 V139 L140 G144 G145 H146 L935 C938 I939 L942K138-L142 WeakPolarHBondContact O-CB 3.36Å; K138-L142 PolarHBondContact O-N 2.66Å; V139-L142 PolarHBondContact O-N 3.01Å; L140-L142 PolarHBondContact O-N 3.05Å; L142-G144 VanDerWaalsContact C-N 3.32Å; L142-G144 PolarHBondContact O-N 3.02Å; L142-G145 PolarHBondContact O-N 3.11Å; L142-H146 WeakPolarHBondContact O-CB 3.4Å; L142-H146 PolarHBondContact O-N 3.49Å; L142-L935 HydrophobicContact CD1-CD1 4.19Å; L142-L935 HydrophobicContact CD2-CD1 4.16Å; L142-L935 HydrophobicContact CG-CD1 3.89Å; L142-C938 HydrophobicContact CD1-CB 3.79Å; L142-C938 HydrophobicContact CD2-CB 4.06Å; L142-I939 HydrophobicContact CD2-CG1 3.73Å; L142-L942 HydrophobicContact CB-CD1 4.22Å; L142-L942 HydrophobicContact CD2-CD1 3.82Å
143V91.7Very high92.4Very high48 Ų4838 Ų3829%0.29120%0.201SC..Hα-helixtrans-64.5-38.2177.4174.10000111.2V139 L147V139-V143 HydrophobicContact CG1-CG2 4.41Å; V139-V143 WeakPolarHBondContact O-CG2 3.26Å; V139-V143 PolarHBondContact O-N 2.86Å; V143-L147 WeakPolarHBondContact O-CB 3.42Å; V143-L147 PolarHBondContact O-N 3.17Å
144G92.8Very high92.5Very high5 Ų535.3 Ų35.35%0.05219%0.189CC..Hα-helixtrans-65.6-39175.100000113.9L140 N141 L142 Q148L140-G144 PolarHBondContact O-N 2.8Å; N141-G144 PolarHBondContact O-N 2.81Å; L142-G144 VanDerWaalsContact C-N 3.32Å; L142-G144 PolarHBondContact O-N 3.02Å; G144-Q148 PolarHBondContact O-N 2.98Å; G144-Q148 VanDerWaalsContact O-N 3.11Å
145G93.7Very high92.5Very high21 Ų2135 Ų3522%0.21619%0.187CC..Hα-helixtrans-63.7-56.9172.700000111.5N141 L142 L147 Q148 D149N141-G145 PolarHBondContact O-N 2.97Å; L142-G145 PolarHBondContact O-N 3.11Å; G145-L147 VanDerWaalsContact C-N 3.26Å; G145-L147 PolarHBondContact O-N 2.72Å; G145-Q148 PolarHBondContact O-N 2.88Å; G145-D149 VanDerWaalsContact O-CG 3.29Å; G145-D149 PolarHBondContact O-N 2.76Å
146H94.7Very high92.3Very high4 Ų436.1 Ų36.12%0.01919%0.193CC..Hα-helixtrans-49.6-45.1175.7155.373.9000112.5L142 D149 Y150 S925 F926 I931 L935L142-H146 WeakPolarHBondContact O-CB 3.4Å; L142-H146 PolarHBondContact O-N 3.49Å; H146-D149 PolarHBondContact O-N 2.81Å; H146-Y150 WeakPolarHBondContact O-CB 3.44Å; H146-Y150 PolarHBondContact O-N 3.35Å; H146-S925 PolarHBondContact NE2-OG 3.23Å; H146-F926 AromaticContact NE2-CE1 3.91Å; H146-I931 VanDerWaalsContact CE1-CG2 3.5Å; H146-I931 WeakPolarHBondContact CE1-CG2 3.49Å; H146-L935 HydrophobicContact CB-CD1 4.13Å
147L93.7Very high92Very high7 Ų736.5 Ų36.54%0.03720%0.198CC..Hα-helixtrans-63.5-43.7177.4176.467.1000112.1V143 G145 L151 I811 L814 L815V143-L147 WeakPolarHBondContact O-CB 3.42Å; V143-L147 PolarHBondContact O-N 3.17Å; G145-L147 VanDerWaalsContact C-N 3.26Å; G145-L147 PolarHBondContact O-N 2.72Å; L147-L151 HydrophobicContact CD1-CD1 4.13Å; L147-L151 HydrophobicContact CD1-CG 4.22Å; L147-L151 HydrophobicContact CG-CD1 4.03Å; L147-L151 HydrophobicContact CG-CG 4.49Å; L147-L151 WeakPolarHBondContact O-CB 3.26Å; L147-L151 VanDerWaalsContact O-CG 3.24Å; L147-L151 WeakPolarHBondContact O-CG 3.35Å; L147-L151 PolarHBondContact O-N 3.42Å; L147-I811 HydrophobicContact CD2-CG2 4.02Å; L147-L814 HydrophobicContact CD2-CB 4.05Å; L147-L815 HydrophobicContact CD1-CD2 3.76Å; L147-L815 HydrophobicContact CD2-CD2 3.51Å; L147-L815 HydrophobicContact CD2-CG 3.65Å; L147-L815 HydrophobicContact CG-CD2 4.27Å
148Q94.3Very high91.5Very high50 Ų5041.1 Ų41.123%0.23422%0.218CC..Hα-helixtrans-65-46.3178.1-173.8172.5-82.400111.3G144 G145 Y150 L151 T152 L814G144-Q148 PolarHBondContact O-N 2.98Å; G144-Q148 VanDerWaalsContact O-N 3.11Å; G145-Q148 PolarHBondContact O-N 2.88Å; Q148-Y150 VanDerWaalsContact C-N 3.31Å; Q148-Y150 PolarHBondContact O-N 2.83Å; Q148-L151 PolarHBondContact O-N 3.46Å; Q148-T152 PolarHBondContact O-N 2.71Å; Q148-T152 PolarHBondContact O-OG1 3.05Å; Q148-L814 HydrophobicContact CB-CD1 4.12Å
149D94.8Very high90.3Very high34 Ų3445.2 Ų45.218%0.18224%0.238CC..Hα-helixtrans-63.5-39.3180-60.8-26000110.8G145 H146 A153 Y172 I175 A176G145-D149 VanDerWaalsContact O-CG 3.29Å; G145-D149 PolarHBondContact O-N 2.76Å; H146-D149 PolarHBondContact O-N 2.81Å; D149-A153 VanDerWaalsContact O-CB 3.23Å; D149-A153 WeakPolarHBondContact O-CB 3.43Å; D149-A153 PolarHBondContact O-N 3.29Å; D149-Y172 HydrophobicContact CB-CD2 4.17Å; D149-Y172 HydrophobicContact CB-CE2 3.67Å; D149-I175 HydrophobicContact CB-CG2 4.23Å; D149-A176 HydrophobicContact CB-CB 4.2Å
150Y94.4Very high88.9Confident8 Ų847.3 Ų47.33%0.03124%0.242CC..Hα-helixtrans-62.4-47.1171.2168.9-96.8000112.6H146 Q148 A153 K154 L168 D924 I931H146-Y150 WeakPolarHBondContact O-CB 3.44Å; H146-Y150 PolarHBondContact O-N 3.35Å; Q148-Y150 VanDerWaalsContact C-N 3.31Å; Q148-Y150 PolarHBondContact O-N 2.83Å; Y150-A153 PolarHBondContact O-N 2.6Å; Y150-K154 HydrophobicContact CE1-CD 3.84Å; Y150-K154 VanDerWaalsContact O-CB 3.29Å; Y150-K154 WeakPolarHBondContact O-CB 3.41Å; Y150-K154 PolarHBondContact O-N 3.28Å; Y150-K154 WeakPolarHBondContact OH-CD 3.46Å; Y150-K154 WeakPolarHBondContact OH-CE 3.1Å; Y150-K154 PolarHBondContact OH-NZ 2.64Å; Y150-L168 HydrophobicContact CE2-CD2 4.1Å; Y150-D924 VanDerWaalsContact OH-CB 3.32Å; Y150-D924 WeakPolarHBondContact OH-CB 3.48Å; Y150-D924 PolarHBondContact OH-O 3.11Å; Y150-I931 HydrophobicContact CD2-CD1 4.18Å
151L92.3Very high87.1Confident23 Ų2354.4 Ų54.412%0.1227%0.274CS..Hα-helixtrans-62.9-43.8179.2-75.4171.3000111.3L147 Q148 K154 E155 L814 T921L147-L151 HydrophobicContact CD1-CD1 4.13Å; L147-L151 HydrophobicContact CD1-CG 4.22Å; L147-L151 HydrophobicContact CG-CD1 4.03Å; L147-L151 HydrophobicContact CG-CG 4.49Å; L147-L151 WeakPolarHBondContact O-CB 3.26Å; L147-L151 VanDerWaalsContact O-CG 3.24Å; L147-L151 WeakPolarHBondContact O-CG 3.35Å; L147-L151 PolarHBondContact O-N 3.42Å; Q148-L151 PolarHBondContact O-N 3.46Å; L151-K154 PolarHBondContact O-N 3.39Å; L151-E155 WeakPolarHBondContact O-CG 3.22Å; L151-E155 PolarHBondContact O-N 3.12Å; L151-L814 HydrophobicContact CD1-CB 4.45Å; L151-T921 HydrophobicContact CD2-CG2 3.65Å
152T92.8Very high84.9Confident51 Ų5157.9 Ų57.931%0.31329%0.287SS..Hα-helixtrans-66.5-38176.1-58.50000111.6Q148 E155 L156 I175Q148-T152 PolarHBondContact O-N 2.71Å; Q148-T152 PolarHBondContact O-OG1 3.05Å; T152-E155 PolarHBondContact O-N 2.91Å; T152-L156 WeakPolarHBondContact O-CG 3.23Å; T152-L156 PolarHBondContact O-N 3.42Å; T152-I175 HydrophobicContact CG2-CD1 3.7Å; T152-I175 HydrophobicContact CG2-CG1 4.31Å
153A92.6Very high82.8Confident0 Ų060.5 Ų60.50%031%0.308CS..Hα-helixtrans-63-41.5171.700000112.3D149 Y150 L156 A157 L168 A171 Y172 I175D149-A153 VanDerWaalsContact O-CB 3.23Å; D149-A153 WeakPolarHBondContact O-CB 3.43Å; D149-A153 PolarHBondContact O-N 3.29Å; Y150-A153 PolarHBondContact O-N 2.6Å; A153-L156 PolarHBondContact O-N 3.31Å; A153-A157 VanDerWaalsContact O-CB 3.28Å; A153-A157 WeakPolarHBondContact O-CB 3.39Å; A153-A157 PolarHBondContact O-N 3.13Å; A153-L168 HydrophobicContact CB-CD1 4.04Å; A153-A171 HydrophobicContact CB-CB 3.96Å; A153-Y172 HydrophobicContact CB-CD2 4.35Å; A153-I175 HydrophobicContact CB-CD1 3.94Å
154K90.2Very high81.3Confident48 Ų4866 Ų6621%0.20933%0.331CS..Hα-helixtrans-66-36.1177.2-166178.4-163.5163.60111.7Y150 L151 K158 L168 D924Y150-K154 HydrophobicContact CE1-CD 3.84Å; Y150-K154 VanDerWaalsContact O-CB 3.29Å; Y150-K154 WeakPolarHBondContact O-CB 3.41Å; Y150-K154 PolarHBondContact O-N 3.28Å; Y150-K154 WeakPolarHBondContact OH-CD 3.46Å; Y150-K154 WeakPolarHBondContact OH-CE 3.1Å; Y150-K154 PolarHBondContact OH-NZ 2.64Å; L151-K154 PolarHBondContact O-N 3.39Å; K154-K158 WeakPolarHBondContact O-CD 3.27Å; K154-K158 VanDerWaalsContact O-CG 3.24Å; K154-K158 WeakPolarHBondContact O-CG 3.22Å; K154-K158 PolarHBondContact O-N 2.66Å; K154-L168 HydrophobicContact CB-CD1 4.48Å; K154-D924 IonicContact NZ-OD2 2.73Å; K154-D924 PolarHBondContact NZ-OD2 3.37Å; K154-D924 VanDerWaalsContact NZ-OD2 3.1Å
155E88.8Confident79.6Confident82 Ų8271 Ų7138%0.38336%0.356SS..Hα-helixtrans-64.1-52.8170.2-73.4175.4-173.600110.8L151 T152 A157 K158L151-E155 WeakPolarHBondContact O-CG 3.22Å; L151-E155 PolarHBondContact O-N 3.12Å; T152-E155 PolarHBondContact O-N 2.91Å; E155-A157 VanDerWaalsContact C-N 3.26Å; E155-A157 PolarHBondContact O-N 3.22Å; E155-K158 PolarHBondContact O-N 3.32Å
156L87.6Confident78.2Confident57 Ų5777.6 Ų77.630%0.29838%0.381SS..Hα-helixtrans-65.7-21179.8-68.9179.6000115.2T152 A153 K160 A171 I175T152-L156 WeakPolarHBondContact O-CG 3.23Å; T152-L156 PolarHBondContact O-N 3.42Å; A153-L156 PolarHBondContact O-N 3.31Å; L156-K160 PolarHBondContact O-NZ 2.6Å; L156-A171 HydrophobicContact CB-CB 4.44Å; L156-I175 HydrophobicContact CD1-CD1 4.11Å; L156-I175 HydrophobicContact CD1-CG1 4.4Å
157A84.3Confident77.3Confident22 Ų2280.4 Ų80.418%0.18239%0.394CS..Hα-helixtrans-81.9-38175.100000112.2A153 E155 E159 K160 L168A153-A157 VanDerWaalsContact O-CB 3.28Å; A153-A157 WeakPolarHBondContact O-CB 3.39Å; A153-A157 PolarHBondContact O-N 3.13Å; E155-A157 VanDerWaalsContact C-N 3.26Å; E155-A157 PolarHBondContact O-N 3.22Å; A157-E159 PolarHBondContact O-N 2.93Å; A157-E159 VanDerWaalsContact O-N 3.14Å; A157-K160 PolarHBondContact O-N 2.94Å; A157-L168 HydrophobicContact CB-CD1 4.46Å
158K78.9Confident77.1Confident129 Ų12981.1 Ų81.156%0.56140%0.398SS*.Hα-helixtrans-56.6-29.4175.9-75.2163.4-177.3173.10112.6K154 E155 K160 E818K154-K158 WeakPolarHBondContact O-CD 3.27Å; K154-K158 VanDerWaalsContact O-CG 3.24Å; K154-K158 WeakPolarHBondContact O-CG 3.22Å; K154-K158 PolarHBondContact O-N 2.66Å; E155-K158 PolarHBondContact O-N 3.32Å; K158-K160 VanDerWaalsContact C-N 3.29Å; K158-K160 PolarHBondContact O-N 2.72Å; K158-E818 IonicContact NZ-OE1 3.63Å
159E68.2Low76.9Confident150 Ų15081.1 Ų81.170%0.70140%0.396SS*.THydrogen-bonded Turntrans-74.8-11.5178.1-61.6-175.6152.300114.1A157A157-E159 PolarHBondContact O-N 2.93Å; A157-E159 VanDerWaalsContact O-N 3.14Å
160K63.3Low76.6Confident107 Ų10786.9 Ų86.947%0.46542%0.419SS..SBendtrans-126.886-169.4-65.8166.6-169.3145.30111.1L156 A157 K158 H162L156-K160 PolarHBondContact O-NZ 2.6Å; A157-K160 PolarHBondContact O-N 2.94Å; K158-K160 VanDerWaalsContact C-N 3.29Å; K158-K160 PolarHBondContact O-N 2.72Å; K160-H162 VanDerWaalsContact C-N 3.28Å; K160-H162 PolarHBondContact O-N 3.11Å
161Q51.6Low76.5Confident183 Ų18387 Ų8786%0.85542%0.421SS*.  trans-62.322.6-160.2-69.6-168.1-28.200120.2
162H47.1Very low76.5Confident157 Ų15786 Ų8673%0.72742%0.416SS*.SBendtrans-139.3122.3-177.6-80.7-4.9000115.4K160 Q167K160-H162 VanDerWaalsContact C-N 3.28Å; K160-H162 PolarHBondContact O-N 3.11Å; H162-Q167 PolarHBondContact O-NE2 3.47Å
163S51.9Low76.4Confident84 Ų8485.3 Ų85.359%0.58741%0.414SS*.  trans63.695.5174.2-1620000114.9Q167S163-Q167 WeakPolarHBondContact O-CB 3.26Å; S163-Q167 WeakPolarHBondContact O-CG 3.24Å
164E58.9Low76.3Confident165 Ų16589.5 Ų89.577%0.77144%0.443SS*.Hα-helixtrans-66.6-52-165.3-59.2-178.8142.400113.9L168E164-L168 VanDerWaalsContact O-CB 3.29Å; E164-L168 WeakPolarHBondContact O-CB 3.44Å; E164-L168 PolarHBondContact O-N 3.46Å
165N57.4Low76.3Confident108 Ų10889.9 Ų89.958%0.57845%0.447SS*.Hα-helixtrans-71-47.3-169.4-63.61.9000113.6Q167 L168 W169N165-Q167 VanDerWaalsContact C-N 3.28Å; N165-Q167 PolarHBondContact O-N 2.95Å; N165-L168 PolarHBondContact O-N 3.24Å; N165-L168 VanDerWaalsContact O-N 3.09Å; N165-W169 PolarHBondContact O-N 3.17Å
166E63.6Low76.4Confident161 Ų16186.4 Ų86.475%0.75243%0.432SS*.Hα-helixtrans-68.9-29.2-177.8-167175-163.900111.9K170E166-K170 WeakPolarHBondContact O-CB 3.24Å
167Q77.3Confident76.5Confident62 Ų6288.6 Ų88.629%0.2945%0.448SS..Hα-helixtrans-73.6-34.7168.7-71.2-149.232.800113.1H162 S163 N165 K170 A171H162-Q167 PolarHBondContact O-NE2 3.47Å; S163-Q167 WeakPolarHBondContact O-CB 3.26Å; S163-Q167 WeakPolarHBondContact O-CG 3.24Å; N165-Q167 VanDerWaalsContact C-N 3.28Å; N165-Q167 PolarHBondContact O-N 2.95Å; Q167-K170 CarbonylContact O-C 3.54Å; Q167-K170 PolarHBondContact O-N 2.73Å; Q167-A171 WeakPolarHBondContact O-CB 3.41Å; Q167-A171 PolarHBondContact O-N 2.75Å
168L88.8Confident76.8Confident22 Ų2290.3 Ų90.312%0.11546%0.457CS..Hα-helixtrans-65.1-47.7-177.4-176.365.9000112.1Y150 A153 K154 A157 E164 N165 K170 A171 Y172 D928 I931Y150-L168 HydrophobicContact CE2-CD2 4.1Å; A153-L168 HydrophobicContact CB-CD1 4.04Å; K154-L168 HydrophobicContact CB-CD1 4.48Å; A157-L168 HydrophobicContact CB-CD1 4.46Å; E164-L168 VanDerWaalsContact O-CB 3.29Å; E164-L168 WeakPolarHBondContact O-CB 3.44Å; E164-L168 PolarHBondContact O-N 3.46Å; N165-L168 PolarHBondContact O-N 3.24Å; N165-L168 VanDerWaalsContact O-N 3.09Å; L168-K170 VanDerWaalsContact C-N 3.28Å; L168-K170 PolarHBondContact O-N 2.94Å; L168-A171 PolarHBondContact O-N 3.2Å; L168-Y172 WeakPolarHBondContact O-CB 3.25Å; L168-Y172 PolarHBondContact O-N 3.49Å; L168-D928 HydrophobicContact CD2-CB 4.41Å; L168-I931 HydrophobicContact CD2-CD1 4.24Å; L168-I931 HydrophobicContact CG-CD1 4.06Å
169W90.6Very high77.5Confident50 Ų5085.2 Ų85.219%0.18944%0.435CS..Hα-helixtrans-60.6-38.7172.9171.1-113.5000111.8N165 Y172 S173 P178 M182 Y930 I931 H934N165-W169 PolarHBondContact O-N 3.17Å; W169-Y172 HydrophobicContact CE3-CD1 4.07Å; W169-Y172 AromaticContact CZ3-CD1 3.74Å; W169-Y172 HydrophobicContact CZ3-CD1 3.74Å; W169-Y172 HydrophobicContact CZ3-CE1 4.21Å; W169-Y172 PolarHBondContact O-N 2.89Å; W169-S173 WeakPolarHBondContact O-CB 3.23Å; W169-S173 PolarHBondContact O-N 2.94Å; W169-S173 PolarHBondContact O-OG 3.46Å; W169-P178 HydrophobicContact CH2-CB 4.42Å; W169-P178 HydrophobicContact CZ2-CB 4.46Å; W169-M182 HydrophobicContact CH2-CE 3.6Å; W169-M182 HydrophobicContact CH2-CG 4.46Å; W169-M182 HydrophobicContact CZ2-CB 4.48Å; W169-M182 HydrophobicContact CZ2-CE 3.72Å; W169-M182 HydrophobicContact CZ3-CE 4.22Å; W169-Y930 HydrophobicContact CD2-CG 4.47Å; W169-Y930 HydrophobicContact CG-CG 4.3Å; W169-I931 HydrophobicContact CE3-CG1 3.82Å; W169-I931 HydrophobicContact CZ3-CG1 4.37Å; W169-H934 HydrophobicContact CH2-CB 3.99Å; W169-H934 HydrophobicContact CZ3-CB 3.91Å
170K88.8Confident78.5Confident156 Ų15681.4 Ų81.468%0.67842%0.422SS*.Hα-helixtrans-67.4-33.3177.4-171.8173.2-177.6174.40113.3E166 Q167 L168 S173E166-K170 WeakPolarHBondContact O-CB 3.24Å; Q167-K170 CarbonylContact O-C 3.54Å; Q167-K170 PolarHBondContact O-N 2.73Å; L168-K170 VanDerWaalsContact C-N 3.28Å; L168-K170 PolarHBondContact O-N 2.94Å; K170-S173 PolarHBondContact O-OG 3.41Å
171A90.9Very high79.8Confident9 Ų976.5 Ų76.57%0.07440%0.401CS..Hα-helixtrans-71.2-47.4171.600000110.7A153 L156 Q167 L168 S173 S174 I175A153-A171 HydrophobicContact CB-CB 3.96Å; L156-A171 HydrophobicContact CB-CB 4.44Å; Q167-A171 WeakPolarHBondContact O-CB 3.41Å; Q167-A171 PolarHBondContact O-N 2.75Å; L168-A171 PolarHBondContact O-N 3.2Å; A171-S173 PolarHBondContact O-N 2.9Å; A171-S174 PolarHBondContact O-N 2.98Å; A171-S174 VanDerWaalsContact O-N 3.08Å; A171-S174 PolarHBondContact O-OG 3.38Å; A171-I175 WeakPolarHBondContact O-CD1 3.23Å; A171-I175 PolarHBondContact O-N 2.99Å
172Y92.4Very high81.6Confident2 Ų269.4 Ų69.41%0.00837%0.369CS..Hα-helixtrans-57.5-50.1178.8-172.6-87.9000112.3D149 A153 L168 W169 S174 I175 A176 I931 H934D149-Y172 HydrophobicContact CB-CD2 4.17Å; D149-Y172 HydrophobicContact CB-CE2 3.67Å; A153-Y172 HydrophobicContact CB-CD2 4.35Å; L168-Y172 WeakPolarHBondContact O-CB 3.25Å; L168-Y172 PolarHBondContact O-N 3.49Å; W169-Y172 HydrophobicContact CE3-CD1 4.07Å; W169-Y172 AromaticContact CZ3-CD1 3.74Å; W169-Y172 HydrophobicContact CZ3-CD1 3.74Å; W169-Y172 HydrophobicContact CZ3-CE1 4.21Å; W169-Y172 PolarHBondContact O-N 2.89Å; Y172-S174 PolarHBondContact O-N 3.03Å; Y172-S174 VanDerWaalsContact O-N 3.14Å; Y172-I175 PolarHBondContact O-N 3.25Å; Y172-A176 HydrophobicContact CD1-CB 4.18Å; Y172-A176 HydrophobicContact CE1-CB 3.74Å; Y172-A176 PolarHBondContact O-N 2.9Å; Y172-I931 HydrophobicContact CD1-CG1 4.11Å; Y172-I931 HydrophobicContact CD2-CD1 3.8Å; Y172-I931 HydrophobicContact CD2-CG1 4.12Å; Y172-I931 HydrophobicContact CD2-CG2 4.13Å; Y172-I931 HydrophobicContact CE1-CG2 4.22Å; Y172-I931 HydrophobicContact CE2-CD1 4.45Å; Y172-I931 HydrophobicContact CE2-CG2 3.74Å; Y172-I931 HydrophobicContact CG-CD1 3.87Å; Y172-I931 HydrophobicContact CG-CG1 3.87Å; Y172-H934 AromaticContact CE1-CE1 3.59Å; Y172-H934 AromaticContact CE1-ND1 3.7Å; Y172-H934 AromaticContact CZ-CE1 3.74Å; Y172-H934 PolarHBondContact OH-CE1 2.75Å
173S90.9Very high83.5Confident38 Ų3866.1 Ų66.127%0.26636%0.363SS..THydrogen-bonded Turntrans-68.6-5.4177.2540000115W169 K170 A171 A176W169-S173 WeakPolarHBondContact O-CB 3.23Å; W169-S173 PolarHBondContact O-N 2.94Å; W169-S173 PolarHBondContact O-OG 3.46Å; K170-S173 PolarHBondContact O-OG 3.41Å; A171-S173 PolarHBondContact O-N 2.9Å; S173-A176 CarbonylContact C-O 3.59Å; S173-A176 WeakPolarHBondContact CA-O 3.28Å
174S89.9Confident85.2Confident88 Ų8866.2 Ų66.262%0.61536%0.357SS*.THydrogen-bonded Turntrans-94-10168.875.40000113.7A171 Y172A171-S174 PolarHBondContact O-N 2.98Å; A171-S174 VanDerWaalsContact O-N 3.08Å; A171-S174 PolarHBondContact O-OG 3.38Å; Y172-S174 PolarHBondContact O-N 3.03Å; Y172-S174 VanDerWaalsContact O-N 3.14Å
175I91.1Very high86.7Confident56 Ų5666.1 Ų66.129%0.28735%0.351SS..THydrogen-bonded Turntrans-107.1-58.1178.2-59.3154.1000109.2D149 T152 A153 L156 A171 Y172D149-I175 HydrophobicContact CB-CG2 4.23Å; T152-I175 HydrophobicContact CG2-CD1 3.7Å; T152-I175 HydrophobicContact CG2-CG1 4.31Å; A153-I175 HydrophobicContact CB-CD1 3.94Å; L156-I175 HydrophobicContact CD1-CD1 4.11Å; L156-I175 HydrophobicContact CD1-CG1 4.4Å; A171-I175 WeakPolarHBondContact O-CD1 3.23Å; A171-I175 PolarHBondContact O-N 2.99Å; Y172-I175 PolarHBondContact O-N 3.25Å
176A90.6Very high88Confident8 Ų864 Ų647%0.06635%0.345CS..SBendtrans-88.7128.2175.500000109.9D149 Y172 S173 P178D149-A176 HydrophobicContact CB-CB 4.2Å; Y172-A176 HydrophobicContact CD1-CB 4.18Å; Y172-A176 HydrophobicContact CE1-CB 3.74Å; Y172-A176 PolarHBondContact O-N 2.9Å; S173-A176 CarbonylContact C-O 3.59Å; S173-A176 WeakPolarHBondContact CA-O 3.28Å; A176-P178 VanDerWaalsContact O-CD 3.26Å; A176-P178 WeakPolarHBondContact O-CD 3.39Å
177T90.6Very high89.1Confident104 Ų10457.4 Ų57.464%0.63832%0.318SS*.PPolyproline II helixtrans-64.1118.217348.10000110H179T177-H179 PolarHBondContact O-N 2.91Å
178P90.2Very high89.8Confident58 Ų5854.9 Ų54.938%0.37731%0.306SS..PPolyproline II helixtrans-62.4132.2-179.5-24.235.5000112W169 A176 M182W169-P178 HydrophobicContact CH2-CB 4.42Å; W169-P178 HydrophobicContact CZ2-CB 4.46Å; A176-P178 VanDerWaalsContact O-CD 3.26Å; A176-P178 WeakPolarHBondContact O-CD 3.39Å; P178-M182 HydrophobicContact CB-CB 4.25Å
179H92.7Very high89.7Confident21 Ų2154.9 Ų54.910%0.09731%0.306CS..PPolyproline II helixtrans-52.2145.1168.2176.3-101.8000112.1T177 A181 M182 Y191 H934 Y937 D941T177-H179 PolarHBondContact O-N 2.91Å; H179-A181 VanDerWaalsContact C-N 3.26Å; H179-A181 VanDerWaalsContact CE1-CB 3.47Å; H179-A181 WeakPolarHBondContact CE1-CB 3.44Å; H179-A181 PolarHBondContact CE1-N 2.88Å; H179-A181 WeakPolarHBondContact ND1-CB 3.39Å; H179-A181 PolarHBondContact ND1-N 2.94Å; H179-A181 PolarHBondContact O-N 2.77Å; H179-A181 VanDerWaalsContact O-N 3.13Å; H179-M182 VanDerWaalsContact O-CB 3.26Å; H179-M182 WeakPolarHBondContact O-CB 3.4Å; H179-M182 PolarHBondContact O-N 3.42Å; H179-Y191 AromaticContact CE1-CD2 3.52Å; H179-Y191 AromaticContact CE1-CE1 3.95Å; H179-Y191 AromaticContact CE1-CE2 3.36Å; H179-Y191 WeakPolarHBondContact CE1-CE2 3.48Å; H179-Y191 AromaticContact CE1-CG 3.87Å; H179-Y191 AromaticContact CE1-CZ 3.6Å; H179-Y191 AromaticContact NE2-CD2 3.71Å; H179-Y191 AromaticContact NE2-CE2 3.34Å; H179-Y191 VanDerWaalsContact NE2-CE2 3.34Å; H179-Y191 WeakPolarHBondContact NE2-CE2 3.48Å; H179-Y191 AromaticContact NE2-CZ 3.87Å; H179-H934 PolarHBondContact N-CD2 2.75Å; H179-H934 VanDerWaalsContact N-CD2 3.27Å; H179-Y937 AromaticContact CE1-CG 3.91Å; H179-Y937 WeakPolarHBondContact ND1-CB 3.48Å; H179-Y937 AromaticContact ND1-CD2 3.57Å; H179-Y937 AromaticContact ND1-CG 3.42Å; H179-D941 IonicContact CD2-OD2 3.5Å; H179-D941 PolarHBondContact CD2-OD2 3.18Å; H179-D941 IonicContact NE2-OD1 2.6Å; H179-D941 IonicContact NE2-OD2 3.77Å
180V89.4Confident89.6Confident71 Ų7156.6 Ų56.643%0.4332%0.318SS..G310 helixtrans-55.8-35.9-170.9-177.30000113.2M182 S183V180-M182 PolarHBondContact O-N 3.4Å; V180-M182 VanDerWaalsContact O-N 3.16Å; V180-S183 WeakPolarHBondContact O-CB 3.33Å; V180-S183 PolarHBondContact O-N 2.96Å; V180-S183 PolarHBondContact O-OG 3.19Å; V180-S183 VanDerWaalsContact O-OG 3.09Å
181A90.4Very high89.6Confident3 Ų350.1 Ų50.13%0.02529%0.29CS..G310 helixtrans-65.3-14.3176.500000114.1H179 E188 Y191 Y937H179-A181 VanDerWaalsContact C-N 3.26Å; H179-A181 VanDerWaalsContact CE1-CB 3.47Å; H179-A181 WeakPolarHBondContact CE1-CB 3.44Å; H179-A181 PolarHBondContact CE1-N 2.88Å; H179-A181 WeakPolarHBondContact ND1-CB 3.39Å; H179-A181 PolarHBondContact ND1-N 2.94Å; H179-A181 PolarHBondContact O-N 2.77Å; H179-A181 VanDerWaalsContact O-N 3.13Å; A181-E188 HydrophobicContact CB-CG 4.18Å; A181-E188 WeakPolarHBondContact O-CB 3.49Å; A181-E188 WeakPolarHBondContact O-CG 3.38Å; A181-Y191 HydrophobicContact CB-CD1 3.97Å; A181-Y191 HydrophobicContact CB-CG 4.01Å; A181-Y937 HydrophobicContact CB-CD1 4.1Å; A181-Y937 HydrophobicContact CB-CD2 3.82Å; A181-Y937 HydrophobicContact CB-CE1 3.93Å; A181-Y937 HydrophobicContact CB-CE2 3.62Å; A181-Y937 HydrophobicContact CB-CG 4.08Å
182M89.8Confident89.5Confident34 Ų3449.8 Ų49.817%0.16729%0.287CS..G310 helixtrans-86-4.9176.8-59-65.9-70.300113.3W169 P178 H179 V180 Y930 R933 H934 Y937W169-M182 HydrophobicContact CH2-CE 3.6Å; W169-M182 HydrophobicContact CH2-CG 4.46Å; W169-M182 HydrophobicContact CZ2-CB 4.48Å; W169-M182 HydrophobicContact CZ2-CE 3.72Å; W169-M182 HydrophobicContact CZ3-CE 4.22Å; P178-M182 HydrophobicContact CB-CB 4.25Å; H179-M182 VanDerWaalsContact O-CB 3.26Å; H179-M182 WeakPolarHBondContact O-CB 3.4Å; H179-M182 PolarHBondContact O-N 3.42Å; V180-M182 PolarHBondContact O-N 3.4Å; V180-M182 VanDerWaalsContact O-N 3.16Å; M182-Y930 HydrophobicContact CE-CD1 4.48Å; M182-Y930 VanDerWaalsContact CE-O 3.28Å; M182-Y930 WeakPolarHBondContact CE-O 3.44Å; M182-R933 HydrophobicContact CE-CB 4.1Å; M182-R933 HydrophobicContact SD-CB 3.96Å; M182-R933 HydrophobicContact SD-CG 3.83Å; M182-H934 HydrophobicContact CE-CB 4.35Å; M182-H934 HydrophobicContact CG-CB 4.4Å; M182-H934 HydrophobicContact SD-CB 4.5Å; M182-Y937 HydrophobicContact CG-CD2 4.2Å; M182-Y937 HydrophobicContact CG-CE2 4.31Å; M182-Y937 HydrophobicContact SD-CD2 3.94Å; M182-Y937 HydrophobicContact SD-CE2 3.64Å
183S87.3Confident89.2Confident88 Ų8853.7 Ų53.762%0.61530%0.302SS*.SBendtrans-71.8-50.9-174.5-56.10000113.1V180V180-S183 WeakPolarHBondContact O-CB 3.33Å; V180-S183 PolarHBondContact O-N 2.96Å; V180-S183 PolarHBondContact O-OG 3.19Å; V180-S183 VanDerWaalsContact O-OG 3.09Å
184D88.4Confident89.1Confident87 Ų8754.6 Ų54.647%0.46531%0.311SS..  trans-156.4168.4170.471.458.8000110.8S186 A187 E188D184-S186 PolarHBondContact O-N 3.21Å; D184-S186 VanDerWaalsContact OD1-CA 3.26Å; D184-S186 WeakPolarHBondContact OD1-CA 3.32Å; D184-S186 VanDerWaalsContact OD1-CB 3.24Å; D184-S186 WeakPolarHBondContact OD1-CB 3.45Å; D184-S186 PolarHBondContact OD1-N 2.87Å; D184-S186 PolarHBondContact OD1-OG 3.24Å; D184-A187 PolarHBondContact O-N 3.1Å; D184-A187 PolarHBondContact OD1-N 3.42Å; D184-E188 PolarHBondContact O-N 2.85Å
185Y89.3Confident89.1Confident163 Ų16350.9 Ų50.964%0.63929%0.285SS*.Hα-helixtrans-61-27.8-177.6-178.4-120.8000114I189Y185-I189 HydrophobicContact CD1-CD1 3.98Å; Y185-I189 HydrophobicContact CD2-CD1 4.4Å; Y185-I189 HydrophobicContact CD2-CG1 4.48Å; Y185-I189 HydrophobicContact CE1-CD1 3.63Å; Y185-I189 HydrophobicContact CE2-CD1 4.07Å; Y185-I189 HydrophobicContact CE2-CG1 4.19Å; Y185-I189 HydrophobicContact CG-CD1 4.36Å; Y185-I189 WeakPolarHBondContact O-CD1 3.47Å; Y185-I189 VanDerWaalsContact O-CG1 3.25Å; Y185-I189 WeakPolarHBondContact O-CG1 3.41Å; Y185-I189 PolarHBondContact O-N 2.92Å; Y185-I189 VanDerWaalsContact O-N 3.17Å
186S85.4Confident88.9Confident64 Ų6448.3 Ų48.345%0.44827%0.272SS..Hα-helixtrans-77-40.3175.880.40000111.9D184 E188 I189 N190D184-S186 PolarHBondContact O-N 3.21Å; D184-S186 VanDerWaalsContact OD1-CA 3.26Å; D184-S186 WeakPolarHBondContact OD1-CA 3.32Å; D184-S186 VanDerWaalsContact OD1-CB 3.24Å; D184-S186 WeakPolarHBondContact OD1-CB 3.45Å; D184-S186 PolarHBondContact OD1-N 2.87Å; D184-S186 PolarHBondContact OD1-OG 3.24Å; S186-E188 VanDerWaalsContact C-N 3.27Å; S186-E188 PolarHBondContact O-N 3.08Å; S186-I189 PolarHBondContact O-N 3.28Å; S186-N190 VanDerWaalsContact O-CB 3.24Å; S186-N190 WeakPolarHBondContact O-CB 3.41Å; S186-N190 PolarHBondContact O-N 3.05Å; S186-N190 PolarHBondContact O-ND2 3.09Å; S186-N190 VanDerWaalsContact O-ND2 3.11Å
187A87.1Confident88.7Confident22 Ų2249 Ų4918%0.18228%0.278CS..Hα-helixtrans-60.6-39.6170.900000111D184 N190 Y191D184-A187 PolarHBondContact O-N 3.1Å; D184-A187 PolarHBondContact OD1-N 3.42Å; A187-N190 PolarHBondContact O-N 2.66Å; A187-Y191 WeakPolarHBondContact O-CB 3.48Å; A187-Y191 PolarHBondContact O-N 3.41Å
188E91.2Very high88.6Confident8 Ų844.7 Ų44.74%0.03725%0.251CS..Hα-helixtrans-58.1-57.1175.2-157.8-151.1150.500112.6A181 D184 S186 N190 Y191 I192 L228 R933 Y937A181-E188 HydrophobicContact CB-CG 4.18Å; A181-E188 WeakPolarHBondContact O-CB 3.49Å; A181-E188 WeakPolarHBondContact O-CG 3.38Å; D184-E188 PolarHBondContact O-N 2.85Å; S186-E188 VanDerWaalsContact C-N 3.27Å; S186-E188 PolarHBondContact O-N 3.08Å; E188-N190 VanDerWaalsContact C-N 3.28Å; E188-N190 PolarHBondContact O-N 2.85Å; E188-Y191 PolarHBondContact O-N 2.84Å; E188-I192 HydrophobicContact CG-CD1 4.4Å; E188-I192 WeakPolarHBondContact O-CG1 3.44Å; E188-I192 PolarHBondContact O-N 2.92Å; E188-L228 WeakPolarHBondContact OE1-CD2 3.45Å; E188-R933 IonicContact OE1-CZ 2.7Å; E188-R933 IonicContact OE1-NE 2.75Å; E188-R933 IonicContact OE1-NH2 2.82Å; E188-R933 PolarHBondContact OE1-NH2 3.15Å; E188-R933 IonicContact OE2-CZ 2.74Å; E188-R933 IonicContact OE2-NE 3.17Å; E188-R933 IonicContact OE2-NH2 2.98Å; E188-R933 PolarHBondContact OE2-NH2 2.79Å; E188-Y937 WeakPolarHBondContact CG-OH 3.29Å; E188-Y937 PolarHBondContact OE1-OH 2.83Å
189I87.1Confident88.5Confident23 Ų2343 Ų4312%0.11824%0.239CC..Hα-helixtrans-63.2-39-179.4-55.6157.1000110.2Y185 S186 I192 R193 T223 L228Y185-I189 HydrophobicContact CD1-CD1 3.98Å; Y185-I189 HydrophobicContact CD2-CD1 4.4Å; Y185-I189 HydrophobicContact CD2-CG1 4.48Å; Y185-I189 HydrophobicContact CE1-CD1 3.63Å; Y185-I189 HydrophobicContact CE2-CD1 4.07Å; Y185-I189 HydrophobicContact CE2-CG1 4.19Å; Y185-I189 HydrophobicContact CG-CD1 4.36Å; Y185-I189 WeakPolarHBondContact O-CD1 3.47Å; Y185-I189 VanDerWaalsContact O-CG1 3.25Å; Y185-I189 WeakPolarHBondContact O-CG1 3.41Å; Y185-I189 PolarHBondContact O-N 2.92Å; Y185-I189 VanDerWaalsContact O-N 3.17Å; S186-I189 PolarHBondContact O-N 3.28Å; I189-I192 PolarHBondContact O-N 3.16Å; I189-R193 HydrophobicContact CG2-CG 4.2Å; I189-R193 WeakPolarHBondContact O-CB 3.34Å; I189-R193 VanDerWaalsContact O-CG 3.28Å; I189-R193 WeakPolarHBondContact O-CG 3.27Å; I189-R193 PolarHBondContact O-N 3.49Å; I189-T223 HydrophobicContact CG2-CG2 3.89Å; I189-L228 HydrophobicContact CG1-CD1 4.17Å
190N87.1Confident88.2Confident85 Ų8542.4 Ų42.446%0.45524%0.236SC..Hα-helixtrans-69.4-35.8-177.7-69.2-20.3000112.8S186 A187 E188 R193 A194S186-N190 VanDerWaalsContact O-CB 3.24Å; S186-N190 WeakPolarHBondContact O-CB 3.41Å; S186-N190 PolarHBondContact O-N 3.05Å; S186-N190 PolarHBondContact O-ND2 3.09Å; S186-N190 VanDerWaalsContact O-ND2 3.11Å; A187-N190 PolarHBondContact O-N 2.66Å; E188-N190 VanDerWaalsContact C-N 3.28Å; E188-N190 PolarHBondContact O-N 2.85Å; N190-R193 PolarHBondContact OD1-NH1 3.37Å; N190-A194 PolarHBondContact O-N 2.79Å; N190-A194 VanDerWaalsContact O-N 3.08Å
191Y90.4Very high88Confident20 Ų2041.1 Ų41.18%0.07823%0.225CC..Hα-helixtrans-61.3-50168169.2-90.9000110.8H179 A181 A187 E188 R193 A194 V195 Y937 D941H179-Y191 AromaticContact CE1-CD2 3.52Å; H179-Y191 AromaticContact CE1-CE1 3.95Å; H179-Y191 AromaticContact CE1-CE2 3.36Å; H179-Y191 WeakPolarHBondContact CE1-CE2 3.48Å; H179-Y191 AromaticContact CE1-CG 3.87Å; H179-Y191 AromaticContact CE1-CZ 3.6Å; H179-Y191 AromaticContact NE2-CD2 3.71Å; H179-Y191 AromaticContact NE2-CE2 3.34Å; H179-Y191 VanDerWaalsContact NE2-CE2 3.34Å; H179-Y191 WeakPolarHBondContact NE2-CE2 3.48Å; H179-Y191 AromaticContact NE2-CZ 3.87Å; A181-Y191 HydrophobicContact CB-CD1 3.97Å; A181-Y191 HydrophobicContact CB-CG 4.01Å; A187-Y191 WeakPolarHBondContact O-CB 3.48Å; A187-Y191 PolarHBondContact O-N 3.41Å; E188-Y191 PolarHBondContact O-N 2.84Å; Y191-R193 VanDerWaalsContact C-N 3.33Å; Y191-R193 PolarHBondContact O-N 3.45Å; Y191-A194 WeakPolarHBondContact O-CB 3.5Å; Y191-A194 PolarHBondContact O-N 3.07Å; Y191-V195 HydrophobicContact CD1-CG2 4.29Å; Y191-V195 HydrophobicContact CE1-CG2 3.81Å; Y191-V195 HydrophobicContact CE2-CG2 4.2Å; Y191-V195 WeakPolarHBondContact O-CG2 3.37Å; Y191-V195 PolarHBondContact O-N 3.27Å; Y191-Y937 HydrophobicContact CD1-CD1 4.08Å; Y191-Y937 HydrophobicContact CD1-CE1 4.27Å; Y191-Y937 AromaticContact CE1-CD1 3.63Å; Y191-Y937 HydrophobicContact CE1-CD1 3.63Å; Y191-Y937 HydrophobicContact CE1-CE1 4.21Å; Y191-Y937 HydrophobicContact CE1-CG 4.47Å; Y191-D941 WeakPolarHBondContact CE2-OD1 3.34Å; Y191-D941 PolarHBondContact OH-OD1 3.42Å
192I88.4Confident87.9Confident2 Ų241.8 Ų41.81%0.0123%0.229CC..Hα-helixtrans-62.9-39.3-179.3-64.4173.5000111.3E188 I189 A194 V195 V196 T223 F227 L228 Y937E188-I192 HydrophobicContact CG-CD1 4.4Å; E188-I192 WeakPolarHBondContact O-CG1 3.44Å; E188-I192 PolarHBondContact O-N 2.92Å; I189-I192 PolarHBondContact O-N 3.16Å; I192-A194 VanDerWaalsContact C-N 3.33Å; I192-A194 PolarHBondContact O-N 3.08Å; I192-V195 PolarHBondContact O-N 3.4Å; I192-V196 HydrophobicContact CG2-CG2 4.25Å; I192-V196 WeakPolarHBondContact O-CB 3.45Å; I192-V196 VanDerWaalsContact O-CG2 3.31Å; I192-V196 WeakPolarHBondContact O-CG2 3.42Å; I192-V196 PolarHBondContact O-N 2.93Å; I192-T223 HydrophobicContact CB-CG2 4.37Å; I192-T223 HydrophobicContact CG2-CG2 3.9Å; I192-F227 HydrophobicContact CG2-CB 3.38Å; I192-F227 HydrophobicContact CG2-CD1 4.5Å; I192-F227 HydrophobicContact CG2-CG 4.14Å; I192-L228 HydrophobicContact CD1-CD2 3.58Å; I192-L228 HydrophobicContact CD1-CG 3.77Å; I192-Y937 HydrophobicContact CD1-CE1 4.36Å; I192-Y937 HydrophobicContact CG1-CE1 4.45Å
193R86.6Confident87.9Confident85 Ų8541 Ų4132%0.32123%0.225SC..Hα-helixtrans-57.7-43.3172-78172.6172.61305.4112.2I189 N190 Y191 V196 A197 E220 T223I189-R193 HydrophobicContact CG2-CG 4.2Å; I189-R193 WeakPolarHBondContact O-CB 3.34Å; I189-R193 VanDerWaalsContact O-CG 3.28Å; I189-R193 WeakPolarHBondContact O-CG 3.27Å; I189-R193 PolarHBondContact O-N 3.49Å; N190-R193 PolarHBondContact OD1-NH1 3.37Å; Y191-R193 VanDerWaalsContact C-N 3.33Å; Y191-R193 PolarHBondContact O-N 3.45Å; R193-V196 PolarHBondContact O-N 3.19Å; R193-A197 VanDerWaalsContact O-CB 3.27Å; R193-A197 WeakPolarHBondContact O-CB 3.48Å; R193-A197 PolarHBondContact O-N 3.18Å; R193-E220 IonicContact CZ-OE1 3.83Å; R193-E220 IonicContact CZ-OE2 3.37Å; R193-E220 IonicContact NE-OE1 3.04Å; R193-E220 PolarHBondContact NE-OE1 3.38Å; R193-E220 IonicContact NE-OE2 2.69Å; R193-E220 PolarHBondContact NE-OE2 2.93Å; R193-E220 IonicContact NH2-OE1 3.16Å; R193-E220 IonicContact NH2-OE2 2.75Å; R193-E220 PolarHBondContact NH2-OE2 3.42Å; R193-T223 HydrophobicContact CG-CG2 3.93Å
194A88.2Confident87.9Confident56 Ų5637.8 Ų37.846%0.46320%0.202SC..Hα-helixtrans-64.9-44.7178.100000111.3N190 Y191 I192 A197 L198N190-A194 PolarHBondContact O-N 2.79Å; N190-A194 VanDerWaalsContact O-N 3.08Å; Y191-A194 WeakPolarHBondContact O-CB 3.5Å; Y191-A194 PolarHBondContact O-N 3.07Å; I192-A194 VanDerWaalsContact C-N 3.33Å; I192-A194 PolarHBondContact O-N 3.08Å; A194-A197 PolarHBondContact O-N 2.8Å; A194-L198 WeakPolarHBondContact O-CB 3.49Å; A194-L198 PolarHBondContact O-N 3.09Å
195V89.2Confident87.4Confident10 Ų1035.9 Ų35.96%0.06119%0.194CC..Hα-helixtrans-59.3-48.1173.9172.40000111.4Y191 I192 A197 L198 L199 F227 L944Y191-V195 HydrophobicContact CD1-CG2 4.29Å; Y191-V195 HydrophobicContact CE1-CG2 3.81Å; Y191-V195 HydrophobicContact CE2-CG2 4.2Å; Y191-V195 WeakPolarHBondContact O-CG2 3.37Å; Y191-V195 PolarHBondContact O-N 3.27Å; I192-V195 PolarHBondContact O-N 3.4Å; V195-A197 PolarHBondContact O-N 2.78Å; V195-L198 PolarHBondContact O-N 2.73Å; V195-L199 HydrophobicContact CG1-CD1 3.9Å; V195-L199 HydrophobicContact CG1-CG 4.47Å; V195-L199 WeakPolarHBondContact O-CB 3.12Å; V195-L199 VanDerWaalsContact O-CG 3.29Å; V195-L199 WeakPolarHBondContact O-CG 3.45Å; V195-L199 PolarHBondContact O-N 2.92Å; V195-F227 HydrophobicContact CG1-CE1 4.17Å; V195-L944 HydrophobicContact CB-CD1 4.38Å; V195-L944 HydrophobicContact CG1-CD1 3.9Å; V195-L944 HydrophobicContact CG1-CD2 4.31Å; V195-L944 HydrophobicContact CG2-CD1 3.71Å
196V87.6Confident86.7Confident2 Ų232.4 Ų32.41%0.01219%0.194CC..Hα-helixtrans-63.3-42.7178.31700000111.2I192 R193 L199 L200 I222 F227I192-V196 HydrophobicContact CG2-CG2 4.25Å; I192-V196 WeakPolarHBondContact O-CB 3.45Å; I192-V196 VanDerWaalsContact O-CG2 3.31Å; I192-V196 WeakPolarHBondContact O-CG2 3.42Å; I192-V196 PolarHBondContact O-N 2.93Å; R193-V196 PolarHBondContact O-N 3.19Å; V196-L199 PolarHBondContact O-N 3.04Å; V196-L200 HydrophobicContact CG1-CD1 3.85Å; V196-L200 HydrophobicContact CG1-CG 4.29Å; V196-L200 WeakPolarHBondContact O-CB 3.39Å; V196-L200 VanDerWaalsContact O-CG 3.23Å; V196-L200 WeakPolarHBondContact O-CG 3.46Å; V196-L200 PolarHBondContact O-N 2.7Å; V196-I222 HydrophobicContact CB-CG2 4.48Å; V196-I222 HydrophobicContact CG1-CB 3.93Å; V196-I222 HydrophobicContact CG1-CG2 3.75Å; V196-I222 HydrophobicContact CG2-CG2 3.83Å; V196-F227 HydrophobicContact CG2-CB 4.48Å; V196-F227 HydrophobicContact CG2-CD2 3.62Å; V196-F227 HydrophobicContact CG2-CE2 3.92Å; V196-F227 HydrophobicContact CG2-CG 3.96Å
197A85.2Confident86Confident24 Ų2432 Ų3220%0.19819%0.19CC..Hα-helixtrans-67.9-35.6178.600000113R193 A194 V195 H201 L964R193-A197 VanDerWaalsContact O-CB 3.27Å; R193-A197 WeakPolarHBondContact O-CB 3.48Å; R193-A197 PolarHBondContact O-N 3.18Å; A194-A197 PolarHBondContact O-N 2.8Å; V195-A197 PolarHBondContact O-N 2.78Å; A197-H201 WeakPolarHBondContact O-CB 3.33Å; A197-H201 PolarHBondContact O-N 3.38Å; A197-L964 HydrophobicContact CB-CD2 3.87Å
198L88.4Confident85.5Confident12 Ų1231.8 Ų31.86%0.06319%0.185CC..Hα-helixtrans-61.8-52.1171.1175.464.6000110.8A194 V195 L200 H201 V202 L944 V948 L951 F956 L960A194-L198 WeakPolarHBondContact O-CB 3.49Å; A194-L198 PolarHBondContact O-N 3.09Å; V195-L198 PolarHBondContact O-N 2.73Å; L198-L200 VanDerWaalsContact C-N 3.32Å; L198-L200 PolarHBondContact O-N 2.76Å; L198-H201 WeakPolarHBondContact O-CB 3.39Å; L198-H201 PolarHBondContact O-N 2.66Å; L198-V202 HydrophobicContact CD1-CG2 4.24Å; L198-V202 WeakPolarHBondContact O-CG2 3.42Å; L198-V202 PolarHBondContact O-N 2.89Å; L198-L944 HydrophobicContact CD2-CD2 4.3Å; L198-V948 HydrophobicContact CD1-CG1 4.28Å; L198-V948 HydrophobicContact CD2-CG2 4.5Å; L198-V948 HydrophobicContact CG-CG2 4.48Å; L198-L951 HydrophobicContact CD1-CD1 4.01Å; L198-L951 HydrophobicContact CD2-CD1 4Å; L198-L951 HydrophobicContact CD2-CD2 4.29Å; L198-F956 HydrophobicContact CD1-CE1 3.69Å; L198-F956 HydrophobicContact CD1-CZ 3.72Å; L198-L960 HydrophobicContact CD1-CD1 4.41Å; L198-L960 HydrophobicContact CD1-CD2 3.81Å
199L89Confident84.7Confident24 Ų2431.5 Ų31.513%0.12618%0.183CC..Hα-helixtrans-61.1-39.2178.4-68.4171.7000112V195 V196 H201 V202 L203 F227 L944 L947V195-L199 HydrophobicContact CG1-CD1 3.9Å; V195-L199 HydrophobicContact CG1-CG 4.47Å; V195-L199 WeakPolarHBondContact O-CB 3.12Å; V195-L199 VanDerWaalsContact O-CG 3.29Å; V195-L199 WeakPolarHBondContact O-CG 3.45Å; V195-L199 PolarHBondContact O-N 2.92Å; V196-L199 PolarHBondContact O-N 3.04Å; L199-H201 VanDerWaalsContact C-N 3.33Å; L199-H201 PolarHBondContact O-N 2.73Å; L199-V202 PolarHBondContact O-N 3.43Å; L199-L203 HydrophobicContact CB-CD1 4.37Å; L199-L203 HydrophobicContact CD2-CD1 4.2Å; L199-L203 VanDerWaalsContact O-CB 3.31Å; L199-L203 WeakPolarHBondContact O-CB 3.43Å; L199-L203 WeakPolarHBondContact O-CG 3.28Å; L199-L203 PolarHBondContact O-N 3.5Å; L199-F227 HydrophobicContact CD1-CE1 4.15Å; L199-F227 HydrophobicContact CD1-CZ 3.6Å; L199-L944 HydrophobicContact CD2-CD2 3.98Å; L199-L944 HydrophobicContact CG-CD2 4.32Å; L199-L947 HydrophobicContact CD2-CD2 3.71Å
200L86.7Confident84Confident7 Ų736 Ų364%0.03720%0.204CC..Hα-helixtrans-71-22.1174-68.6175.9000113.7M119 V196 L198 V204 L209 V218 I222M119-L200 HydrophobicContact CE-CD2 4.11Å; V196-L200 HydrophobicContact CG1-CD1 3.85Å; V196-L200 HydrophobicContact CG1-CG 4.29Å; V196-L200 WeakPolarHBondContact O-CB 3.39Å; V196-L200 VanDerWaalsContact O-CG 3.23Å; V196-L200 WeakPolarHBondContact O-CG 3.46Å; V196-L200 PolarHBondContact O-N 2.7Å; L198-L200 VanDerWaalsContact C-N 3.32Å; L198-L200 PolarHBondContact O-N 2.76Å; L200-V204 HydrophobicContact CB-CG2 4.35Å; L200-V204 HydrophobicContact CD2-CG2 3.67Å; L200-V204 WeakPolarHBondContact O-CB 3.42Å; L200-V204 WeakPolarHBondContact O-CG2 3.13Å; L200-L209 HydrophobicContact CB-CD1 4.48Å; L200-L209 HydrophobicContact CD1-CD1 4.23Å; L200-L209 HydrophobicContact CD2-CD1 3.87Å; L200-L209 HydrophobicContact CG-CD1 4.42Å; L200-V218 HydrophobicContact CD1-CG1 4.3Å; L200-V218 HydrophobicContact CD2-CG1 4.44Å; L200-I222 HydrophobicContact CD1-CD1 4.39Å; L200-I222 HydrophobicContact CD2-CD1 3.96Å
201H85.6Confident83.4Confident45 Ų4534.3 Ų34.321%0.20820%0.197CC..Hα-helixtrans-77.7-28.9170.6-173.687.3000112A197 L198 L199 F956 S959 L960 T963A197-H201 WeakPolarHBondContact O-CB 3.33Å; A197-H201 PolarHBondContact O-N 3.38Å; L198-H201 WeakPolarHBondContact O-CB 3.39Å; L198-H201 PolarHBondContact O-N 2.66Å; L199-H201 VanDerWaalsContact C-N 3.33Å; L199-H201 PolarHBondContact O-N 2.73Å; H201-F956 AromaticContact CD2-CE2 3.82Å; H201-S959 PolarHBondContact CE1-OG 2.81Å; H201-S959 VanDerWaalsContact CE1-OG 3.28Å; H201-S959 PolarHBondContact NE2-OG 2.89Å; H201-L960 HydrophobicContact CB-CD1 3.68Å; H201-T963 PolarHBondContact CE1-OG1 3.28Å; H201-T963 VanDerWaalsContact CE1-OG1 3.28Å; H201-T963 PolarHBondContact ND1-OG1 2.89Å
202V88.4Confident82.5Confident17 Ų1737 Ų3710%0.10321%0.213CC..Hα-helixtrans-98.8-31.3-170.6172.90000114.3L198 L199 V948 F956L198-V202 HydrophobicContact CD1-CG2 4.24Å; L198-V202 WeakPolarHBondContact O-CG2 3.42Å; L198-V202 PolarHBondContact O-N 2.89Å; L199-V202 PolarHBondContact O-N 3.43Å; V202-V948 HydrophobicContact CG1-CG2 4.19Å; V202-V948 HydrophobicContact CG2-CG1 3.83Å; V202-V948 HydrophobicContact CG2-CG2 4.23Å; V202-F956 HydrophobicContact CG2-CE2 3.96Å; V202-F956 HydrophobicContact CG2-CZ 3.61Å
203L89Confident81.8Confident18 Ų1840.8 Ų40.89%0.09424%0.236CC..SBendtrans-103.7-24.2-172.7-61176.6000114.2M119 K122 L123 L199M119-L203 WeakPolarHBondContact CA-O 3.43Å; M119-L203 HydrophobicContact CB-CB 4.38Å; M119-L203 HydrophobicContact CE-CB 4.47Å; M119-L203 HydrophobicContact CG-CB 4.27Å; M119-L203 WeakPolarHBondContact CG-O 3.41Å; K122-L203 HydrophobicContact CB-CD2 4.36Å; K122-L203 HydrophobicContact CG-CD2 4.28Å; L123-L203 HydrophobicContact CB-CD2 4.33Å; L199-L203 HydrophobicContact CB-CD1 4.37Å; L199-L203 HydrophobicContact CD2-CD1 4.2Å; L199-L203 VanDerWaalsContact O-CB 3.31Å; L199-L203 WeakPolarHBondContact O-CB 3.43Å; L199-L203 WeakPolarHBondContact O-CG 3.28Å; L199-L203 PolarHBondContact O-N 3.5Å
204V86.6Confident81.1Confident19 Ų1936.7 Ų36.712%0.11522%0.221CC..SBendtrans-86.7125.4-176.1-179.90000110.1M119 L200 H208 L209M119-V204 HydrophobicContact CE-CG2 3.95Å; M119-V204 HydrophobicContact CG-CG2 4.07Å; M119-V204 HydrophobicContact SD-CG2 3.76Å; L200-V204 HydrophobicContact CB-CG2 4.35Å; L200-V204 HydrophobicContact CD2-CG2 3.67Å; L200-V204 WeakPolarHBondContact O-CB 3.42Å; L200-V204 WeakPolarHBondContact O-CG2 3.13Å; V204-H208 HydrophobicContact CG1-CB 3.79Å; V204-L209 HydrophobicContact CG1-CB 4.48Å; V204-L209 HydrophobicContact CG1-CD1 4.3Å; V204-L209 HydrophobicContact CG1-CG 4.1Å; V204-L209 HydrophobicContact CG2-CD1 4.07Å
205P78.8Confident80.6Confident47 Ų4736.4 Ų36.431%0.30521%0.207SC..PPolyproline II helixtrans-76.1147.3174.831.3-33.4000111.8H208P205-H208 PolarHBondContact O-CD2 3.15Å; P205-H208 PolarHBondContact O-N 2.9Å
206S74Confident80Confident91 Ų9142.2 Ų42.264%0.63623%0.232SC*.THydrogen-bonded Turntrans-63.5139.9163.6168.20000109.1E210S206-E210 WeakPolarHBondContact CB-OE1 3.26Å; S206-E210 PolarHBondContact OG-OE1 3.38Å
207P71.6Confident79.6Confident56 Ų5643.5 Ų43.536%0.36424%0.24SC..THydrogen-bonded Turncis-95.513.613.737.9-36.3000115.6E210 P690P207-E210 WeakPolarHBondContact CA-OE1 3.3Å; P207-E210 WeakPolarHBondContact O-CG 3.16Å; P207-P690 HydrophobicContact CB-CG 4.26Å; P207-P690 HydrophobicContact CG-CG 4.28Å
208H76.9Confident79.3Confident16 Ų1643.1 Ų43.17%0.07424%0.235CC..THydrogen-bonded Turntrans-74.5147.8-176.2-39.6-50000112.5E111 V204 P205 E210 A688 F689E111-H208 IonicContact OE1-CE1 3.66Å; V204-H208 HydrophobicContact CG1-CB 3.79Å; P205-H208 PolarHBondContact O-CD2 3.15Å; P205-H208 PolarHBondContact O-N 2.9Å; H208-E210 PolarHBondContact O-N 2.84Å; H208-E210 VanDerWaalsContact O-N 3.15Å; H208-A688 CarbonylContact C-O 3.59Å; H208-A688 WeakPolarHBondContact CA-O 3.07Å; H208-F689 HydrophobicContact CB-CD1 3.9Å; H208-F689 HydrophobicContact CB-CE1 4.13Å; H208-F689 AromaticContact CG-CD1 3.95Å
209L73.9Confident79Confident2 Ų243 Ų431%0.0124%0.237CC..THydrogen-bonded Turntrans53.525.7-175.7-47.6-171.4000114.6L200 V204 T211 R215 V218 A688 F689L200-L209 HydrophobicContact CB-CD1 4.48Å; L200-L209 HydrophobicContact CD1-CD1 4.23Å; L200-L209 HydrophobicContact CD2-CD1 3.87Å; L200-L209 HydrophobicContact CG-CD1 4.42Å; V204-L209 HydrophobicContact CG1-CB 4.48Å; V204-L209 HydrophobicContact CG1-CD1 4.3Å; V204-L209 HydrophobicContact CG1-CG 4.1Å; V204-L209 HydrophobicContact CG2-CD1 4.07Å; L209-T211 VanDerWaalsContact C-N 3.29Å; L209-R215 HydrophobicContact CB-CB 4.18Å; L209-R215 HydrophobicContact CB-CG 4.49Å; L209-R215 VanDerWaalsContact O-CZ 3.27Å; L209-R215 PolarHBondContact O-NE 3.34Å; L209-R215 PolarHBondContact O-NH2 3.31Å; L209-V218 HydrophobicContact CD1-CB 4.32Å; L209-V218 HydrophobicContact CD1-CG1 4.01Å; L209-V218 HydrophobicContact CD2-CB 4.2Å; L209-V218 HydrophobicContact CD2-CG1 4.45Å; L209-V218 HydrophobicContact CD2-CG2 3.89Å; L209-A688 HydrophobicContact CD2-CB 3.8Å; L209-A688 PolarHBondContact N-O 2.76Å; L209-F689 HydrophobicContact CD2-CE1 4.36Å; L209-F689 HydrophobicContact CD2-CE2 4Å; L209-F689 HydrophobicContact CD2-CZ 3.81Å
210E71.3Confident78.7Confident118 Ų11844 Ų4455%0.55124%0.241SC*.  trans-69.2-26.1172.4-75.6-172-17400112.9S206 P207 H208S206-E210 WeakPolarHBondContact CB-OE1 3.26Å; S206-E210 PolarHBondContact OG-OE1 3.38Å; P207-E210 WeakPolarHBondContact CA-OE1 3.3Å; P207-E210 WeakPolarHBondContact O-CG 3.16Å; H208-E210 PolarHBondContact O-N 2.84Å; H208-E210 VanDerWaalsContact O-N 3.15Å
211T75.9Confident78.3Confident50 Ų5047.7 Ų47.731%0.30726%0.26SS..SBendtrans-78.6126.7173.355.10000111.4L209 T213 G214 R215 T687L209-T211 VanDerWaalsContact C-N 3.29Å; T211-T213 PolarHBondContact O-N 2.91Å; T211-G214 PolarHBondContact O-N 3.01Å; T211-R215 PolarHBondContact O-N 3.41Å; T211-T687 WeakPolarHBondContact CG2-O 3.39Å; T211-T687 PolarHBondContact OG1-O 3.44Å
212N70.8Confident77.9Confident76 Ų7647.4 Ų47.441%0.40626%0.26SS..Hα-helixtrans-50.1-44.6177.4-66.5-0.2000112.2R215 F216 K966N212-R215 PolarHBondContact O-N 3.04Å; N212-F216 VanDerWaalsContact O-CB 3.28Å; N212-F216 WeakPolarHBondContact O-CB 3.28Å; N212-F216 PolarHBondContact O-N 2.66Å; N212-K966 PolarHBondContact ND2-O 3.31Å
213T73.3Confident77.6Confident81 Ų8146.7 Ų46.750%0.49726%0.255SS..Hα-helixtrans-65.3-41.2-179.7-34.20000111.8T211 V217 T684T211-T213 PolarHBondContact O-N 2.91Å; T213-V217 WeakPolarHBondContact O-CB 3.47Å; T213-V217 WeakPolarHBondContact O-CG2 3.47Å; T213-V217 PolarHBondContact O-N 3.45Å; T213-T684 HydrophobicContact CG2-CG2 3.71Å; T213-T684 WeakPolarHBondContact O-CG2 3.44Å
214G72.9Confident77.1Confident0 Ų048.5 Ų48.50%027%0.27CS..Hα-helixtrans-62.7-51.2175.400000112T211 F216 V217 V218T211-G214 PolarHBondContact O-N 3.01Å; G214-F216 VanDerWaalsContact C-N 3.33Å; G214-F216 PolarHBondContact O-N 3.45Å; G214-V217 PolarHBondContact O-N 3.26Å; G214-V218 WeakPolarHBondContact O-CB 3.29Å; G214-V218 WeakPolarHBondContact O-CG2 3.41Å; G214-V218 PolarHBondContact O-N 2.98Å
215R77.4Confident76.6Confident49 Ų4952.3 Ų52.319%0.18529%0.29CS..Hα-helixtrans-57.6-43176.4-171.5173.8-66.6-106-5.1112.3L209 T211 N212 G219L209-R215 HydrophobicContact CB-CB 4.18Å; L209-R215 HydrophobicContact CB-CG 4.49Å; L209-R215 VanDerWaalsContact O-CZ 3.27Å; L209-R215 PolarHBondContact O-NE 3.34Å; L209-R215 PolarHBondContact O-NH2 3.31Å; T211-R215 PolarHBondContact O-N 3.41Å; N212-R215 PolarHBondContact O-N 3.04Å; R215-G219 PolarHBondContact O-N 2.98Å
216F77.4Confident76.7Confident132 Ų13253.8 Ų53.858%0.57930%0.298SS*.Hα-helixtrans-66-49.6177.9-178.9-97.4000112.3N212 G214 V218 G219 E220N212-F216 VanDerWaalsContact O-CB 3.28Å; N212-F216 WeakPolarHBondContact O-CB 3.28Å; N212-F216 PolarHBondContact O-N 2.66Å; G214-F216 VanDerWaalsContact C-N 3.33Å; G214-F216 PolarHBondContact O-N 3.45Å; F216-V218 PolarHBondContact O-N 3.07Å; F216-G219 PolarHBondContact O-N 2.89Å; F216-E220 HydrophobicContact CD1-CG 4.33Å; F216-E220 HydrophobicContact CD2-CG 4.46Å; F216-E220 HydrophobicContact CE1-CG 3.85Å; F216-E220 HydrophobicContact CE2-CG 3.99Å; F216-E220 HydrophobicContact CZ-CG 3.66Å; F216-E220 PolarHBondContact O-N 3.07Å
217V77.6Confident77.1Confident29 Ų2951.3 Ų51.318%0.17628%0.275CS..Hα-helixtrans-62.8-43.6-179.81690000111.4T213 G214 L221 T684T213-V217 WeakPolarHBondContact O-CB 3.47Å; T213-V217 WeakPolarHBondContact O-CG2 3.47Å; T213-V217 PolarHBondContact O-N 3.45Å; G214-V217 PolarHBondContact O-N 3.26Å; V217-L221 HydrophobicContact CG1-CD1 3.97Å; V217-L221 WeakPolarHBondContact O-CB 3.45Å; V217-L221 VanDerWaalsContact O-CG 3.23Å; V217-L221 WeakPolarHBondContact O-CG 3.3Å; V217-L221 PolarHBondContact O-N 3.03Å; V217-T684 HydrophobicContact CB-CG2 4.3Å; V217-T684 HydrophobicContact CG2-CG2 4.02Å
218V80.2Confident77.8Confident17 Ų1749.9 Ų49.910%0.10326%0.264CS..Hα-helixtrans-66.9-38.7176.3173.20000111.4L200 L209 G214 F216 L221 I222 L685 F689L200-V218 HydrophobicContact CD1-CG1 4.3Å; L200-V218 HydrophobicContact CD2-CG1 4.44Å; L209-V218 HydrophobicContact CD1-CB 4.32Å; L209-V218 HydrophobicContact CD1-CG1 4.01Å; L209-V218 HydrophobicContact CD2-CB 4.2Å; L209-V218 HydrophobicContact CD2-CG1 4.45Å; L209-V218 HydrophobicContact CD2-CG2 3.89Å; G214-V218 WeakPolarHBondContact O-CB 3.29Å; G214-V218 WeakPolarHBondContact O-CG2 3.41Å; G214-V218 PolarHBondContact O-N 2.98Å; F216-V218 PolarHBondContact O-N 3.07Å; V218-L221 PolarHBondContact O-N 2.92Å; V218-I222 HydrophobicContact CG1-CD1 3.66Å; V218-I222 HydrophobicContact CG1-CG1 4.41Å; V218-I222 WeakPolarHBondContact O-CB 3.3Å; V218-I222 WeakPolarHBondContact O-CG1 3.33Å; V218-I222 PolarHBondContact O-N 3.1Å; V218-L685 HydrophobicContact CG2-CD2 3.69Å; V218-F689 HydrophobicContact CG2-CE2 4.26Å
219G80.7Confident78Confident10 Ų1052 Ų5210%0.10328%0.279CS..Hα-helixtrans-61.2-48.1174.700000113.5R215 F216 L221 I222 T223R215-G219 PolarHBondContact O-N 2.98Å; F216-G219 PolarHBondContact O-N 2.89Å; G219-L221 PolarHBondContact O-N 3.2Å; G219-I222 PolarHBondContact O-N 3.13Å; G219-T223 VanDerWaalsContact O-CB 3.26Å; G219-T223 WeakPolarHBondContact O-CB 3.4Å; G219-T223 PolarHBondContact O-N 3.38Å; G219-T223 PolarHBondContact O-OG1 3Å
220E83Confident78.4Confident45 Ų4555.2 Ų55.221%0.2130%0.297CS..Hα-helixtrans-66.2-37177.1-69.7-62.199.700112.1R193 F216 S224R193-E220 IonicContact CZ-OE1 3.83Å; R193-E220 IonicContact CZ-OE2 3.37Å; R193-E220 IonicContact NE-OE1 3.04Å; R193-E220 PolarHBondContact NE-OE1 3.38Å; R193-E220 IonicContact NE-OE2 2.69Å; R193-E220 PolarHBondContact NE-OE2 2.93Å; R193-E220 IonicContact NH2-OE1 3.16Å; R193-E220 IonicContact NH2-OE2 2.75Å; R193-E220 PolarHBondContact NH2-OE2 3.42Å; F216-E220 HydrophobicContact CD1-CG 4.33Å; F216-E220 HydrophobicContact CD2-CG 4.46Å; F216-E220 HydrophobicContact CE1-CG 3.85Å; F216-E220 HydrophobicContact CE2-CG 3.99Å; F216-E220 HydrophobicContact CZ-CG 3.66Å; F216-E220 PolarHBondContact O-N 3.07Å; E220-S224 VanDerWaalsContact O-CB 3.23Å; E220-S224 WeakPolarHBondContact O-CB 3.41Å; E220-S224 PolarHBondContact O-N 2.97Å; E220-S224 PolarHBondContact O-OG 3.11Å
221L78.1Confident79.3Confident83 Ų8349.6 Ų49.644%0.43527%0.27SS..Hα-helixtrans-62.9-47.5175.2-77.1169.9000111.8V217 V218 G219 N225V217-L221 HydrophobicContact CG1-CD1 3.97Å; V217-L221 WeakPolarHBondContact O-CB 3.45Å; V217-L221 VanDerWaalsContact O-CG 3.23Å; V217-L221 WeakPolarHBondContact O-CG 3.3Å; V217-L221 PolarHBondContact O-N 3.03Å; V218-L221 PolarHBondContact O-N 2.92Å; G219-L221 PolarHBondContact O-N 3.2Å; L221-N225 VanDerWaalsContact O-CB 3.32Å; L221-N225 WeakPolarHBondContact O-CB 3.32Å; L221-N225 PolarHBondContact O-N 2.77Å; L221-N225 PolarHBondContact O-ND2 2.83Å
222I78.1Confident79.9Confident40 Ų4049.8 Ų49.821%0.20528%0.277CS..Hα-helixtrans-68.5-41.3179.4-68.8169.9000111V196 L200 V218 G219 V226 F227V196-I222 HydrophobicContact CB-CG2 4.48Å; V196-I222 HydrophobicContact CG1-CB 3.93Å; V196-I222 HydrophobicContact CG1-CG2 3.75Å; V196-I222 HydrophobicContact CG2-CG2 3.83Å; L200-I222 HydrophobicContact CD1-CD1 4.39Å; L200-I222 HydrophobicContact CD2-CD1 3.96Å; V218-I222 HydrophobicContact CG1-CD1 3.66Å; V218-I222 HydrophobicContact CG1-CG1 4.41Å; V218-I222 WeakPolarHBondContact O-CB 3.3Å; V218-I222 WeakPolarHBondContact O-CG1 3.33Å; V218-I222 PolarHBondContact O-N 3.1Å; G219-I222 PolarHBondContact O-N 3.13Å; I222-V226 HydrophobicContact CG2-CB 4.4Å; I222-V226 WeakPolarHBondContact O-CA 3.44Å; I222-V226 VanDerWaalsContact O-CB 3.3Å; I222-V226 WeakPolarHBondContact O-CB 3.47Å; I222-V226 PolarHBondContact O-N 3.32Å; I222-F227 HydrophobicContact CG2-CD2 3.6Å; I222-F227 HydrophobicContact CG2-CE2 3.7Å; I222-F227 PolarHBondContact O-N 3.26Å
223T81.8Confident80.6Confident1 Ų151.6 Ų51.61%0.00628%0.281CS..Iπ-helixtrans-55.9-53.4173.8-61.90000110.8I189 I192 R193 G219 L228I189-T223 HydrophobicContact CG2-CG2 3.89Å; I192-T223 HydrophobicContact CB-CG2 4.37Å; I192-T223 HydrophobicContact CG2-CG2 3.9Å; R193-T223 HydrophobicContact CG-CG2 3.93Å; G219-T223 VanDerWaalsContact O-CB 3.26Å; G219-T223 WeakPolarHBondContact O-CB 3.4Å; G219-T223 PolarHBondContact O-N 3.38Å; G219-T223 PolarHBondContact O-OG1 3Å; T223-L228 HydrophobicContact CG2-CD1 4.15Å; T223-L228 WeakPolarHBondContact O-CB 3.45Å; T223-L228 PolarHBondContact O-N 3.3Å
224S79.9Confident81.2Confident57 Ų5749.6 Ų49.640%0.39927%0.267SS..Iπ-helixtrans-80.6-34.4-169.1-50.30000114.3E220 P229E220-S224 VanDerWaalsContact O-CB 3.23Å; E220-S224 WeakPolarHBondContact O-CB 3.41Å; E220-S224 PolarHBondContact O-N 2.97Å; E220-S224 PolarHBondContact O-OG 3.11Å; S224-P229 WeakPolarHBondContact O-CD 3.45Å
225N75.3Confident82.3Confident99 Ų9950 Ų5053%0.52927%0.269SS..Iπ-helixtrans-107.9-14.2-172-54.7-85.5000113.6L221L221-N225 VanDerWaalsContact O-CB 3.32Å; L221-N225 WeakPolarHBondContact O-CB 3.32Å; L221-N225 PolarHBondContact O-N 2.77Å; L221-N225 PolarHBondContact O-ND2 2.83Å
226V80.5Confident83Confident78 Ų7850 Ų5047%0.47327%0.273SS..Iπ-helixtrans-116.2-65179.8-171.60000110.8I222 L230I222-V226 HydrophobicContact CG2-CB 4.4Å; I222-V226 WeakPolarHBondContact O-CA 3.44Å; I222-V226 VanDerWaalsContact O-CB 3.3Å; I222-V226 WeakPolarHBondContact O-CB 3.47Å; I222-V226 PolarHBondContact O-N 3.32Å; V226-L230 WeakPolarHBondContact O-CB 3.12Å; V226-L230 PolarHBondContact O-N 3.39Å
227F82.2Confident83.7Confident38 Ų3844.9 Ų44.917%0.16725%0.253CS..Iπ-helixtrans-71.8-45.3-170.5-83.7-102.5000113.8I192 V195 V196 L199 I222 L230 V231 F940I192-F227 HydrophobicContact CG2-CB 3.38Å; I192-F227 HydrophobicContact CG2-CD1 4.5Å; I192-F227 HydrophobicContact CG2-CG 4.14Å; V195-F227 HydrophobicContact CG1-CE1 4.17Å; V196-F227 HydrophobicContact CG2-CB 4.48Å; V196-F227 HydrophobicContact CG2-CD2 3.62Å; V196-F227 HydrophobicContact CG2-CE2 3.92Å; V196-F227 HydrophobicContact CG2-CG 3.96Å; L199-F227 HydrophobicContact CD1-CE1 4.15Å; L199-F227 HydrophobicContact CD1-CZ 3.6Å; I222-F227 HydrophobicContact CG2-CD2 3.6Å; I222-F227 HydrophobicContact CG2-CE2 3.7Å; I222-F227 PolarHBondContact O-N 3.26Å; F227-L230 PolarHBondContact O-N 3.03Å; F227-V231 WeakPolarHBondContact O-CG2 3.33Å; F227-V231 PolarHBondContact O-N 3.43Å; F227-F940 HydrophobicContact CD1-CE2 4.17Å
228L85.8Confident84.4Confident26 Ų2644 Ų4414%0.13625%0.248CC..Hα-helixtrans-60.5-49.2176.7-84.1161.5000112.3E188 I189 I192 T223 L230 V231 A232E188-L228 WeakPolarHBondContact OE1-CD2 3.45Å; I189-L228 HydrophobicContact CG1-CD1 4.17Å; I192-L228 HydrophobicContact CD1-CD2 3.58Å; I192-L228 HydrophobicContact CD1-CG 3.77Å; T223-L228 HydrophobicContact CG2-CD1 4.15Å; T223-L228 WeakPolarHBondContact O-CB 3.45Å; T223-L228 PolarHBondContact O-N 3.3Å; L228-L230 VanDerWaalsContact C-N 3.35Å; L228-L230 PolarHBondContact O-N 2.88Å; L228-V231 PolarHBondContact O-N 3.08Å; L228-A232 WeakPolarHBondContact O-CB 3.37Å; L228-A232 PolarHBondContact O-N 3.17Å
229P82.8Confident84.9Confident60 Ų6047 Ų4739%0.3926%0.257SS..Hα-helixtrans-62-36.1172.3-27.237.4000114.2S224 A232 K233S224-P229 WeakPolarHBondContact O-CD 3.45Å; P229-A232 PolarHBondContact O-N 3.4Å; P229-K233 WeakPolarHBondContact O-CG 3.4Å; P229-K233 PolarHBondContact O-N 3.2Å
230L82.1Confident85.4Confident71 Ų7147.9 Ų47.937%0.37226%0.259SS..Hα-helixtrans-63.9-49.3176.4176.962.1000111.2V226 F227 L228 A232 K233 L234 F940V226-L230 WeakPolarHBondContact O-CB 3.12Å; V226-L230 PolarHBondContact O-N 3.39Å; F227-L230 PolarHBondContact O-N 3.03Å; L228-L230 VanDerWaalsContact C-N 3.35Å; L228-L230 PolarHBondContact O-N 2.88Å; L230-A232 VanDerWaalsContact C-N 3.31Å; L230-A232 PolarHBondContact O-N 2.91Å; L230-K233 PolarHBondContact O-N 2.71Å; L230-K233 VanDerWaalsContact O-N 3.07Å; L230-L234 HydrophobicContact CD1-CD1 4.08Å; L230-L234 HydrophobicContact CD1-CD2 4.36Å; L230-L234 HydrophobicContact CD1-CG 3.97Å; L230-L234 HydrophobicContact CG-CD1 3.96Å; L230-L234 HydrophobicContact CG-CG 4.25Å; L230-L234 WeakPolarHBondContact O-CG 3.49Å; L230-L234 PolarHBondContact O-N 2.72Å; L230-F940 HydrophobicContact CD2-CZ 4.38Å
231V89.9Confident85.8Confident0 Ų045.9 Ų45.90%025%0.25CS..Hα-helixtrans-60.6-42.5176.6173.90000110.7F227 L228 K233 L234 S235 R933 V936 Y937 F940F227-V231 WeakPolarHBondContact O-CG2 3.33Å; F227-V231 PolarHBondContact O-N 3.43Å; L228-V231 PolarHBondContact O-N 3.08Å; V231-K233 VanDerWaalsContact C-N 3.26Å; V231-K233 PolarHBondContact O-N 3.01Å; V231-L234 PolarHBondContact O-N 2.84Å; V231-S235 VanDerWaalsContact O-CB 3.3Å; V231-S235 WeakPolarHBondContact O-CB 3.39Å; V231-S235 PolarHBondContact O-N 2.85Å; V231-S235 PolarHBondContact O-OG 3.05Å; V231-R933 HydrophobicContact CG1-CG 3.86Å; V231-V936 HydrophobicContact CB-CG1 4.49Å; V231-V936 HydrophobicContact CG1-CG1 4.12Å; V231-V936 HydrophobicContact CG2-CG1 4.15Å; V231-Y937 HydrophobicContact CG1-CE1 3.97Å; V231-Y937 HydrophobicContact CG2-CE1 4.1Å; V231-F940 HydrophobicContact CG2-CD2 4.42Å; V231-F940 HydrophobicContact CG2-CE2 3.49Å; V231-F940 VanDerWaalsContact CG2-CE2 3.49Å; V231-F940 HydrophobicContact CG2-CZ 3.9Å
232A88.6Confident86.4Confident53 Ų5345.2 Ų45.244%0.43825%0.246SC..Hα-helixtrans-60.7-32.9175.300000113.1L228 P229 L230 D236L228-A232 WeakPolarHBondContact O-CB 3.37Å; L228-A232 PolarHBondContact O-N 3.17Å; P229-A232 PolarHBondContact O-N 3.4Å; L230-A232 VanDerWaalsContact C-N 3.31Å; L230-A232 PolarHBondContact O-N 2.91Å; A232-D236 PolarHBondContact O-N 2.9Å
233K84.7Confident86.7Confident115 Ų11546 Ų4650%0.525%0.251SS..Hα-helixtrans-75.7-46.2173.6-75.4-66.6-175.9-173.70113.3P229 L230 V231 S235 D236 W239P229-K233 WeakPolarHBondContact O-CG 3.4Å; P229-K233 PolarHBondContact O-N 3.2Å; L230-K233 PolarHBondContact O-N 2.71Å; L230-K233 VanDerWaalsContact O-N 3.07Å; V231-K233 VanDerWaalsContact C-N 3.26Å; V231-K233 PolarHBondContact O-N 3.01Å; K233-S235 PolarHBondContact O-N 2.93Å; K233-D236 PolarHBondContact O-N 2.75Å; K233-D236 VanDerWaalsContact O-N 3.13Å; K233-W239 HydrophobicContact CB-CD2 4.4Å; K233-W239 HydrophobicContact CD-CG 4.29Å; K233-W239 VanDerWaalsContact O-CE3 3.31Å
234L86.8Confident86.8Confident39 Ų3947.5 Ų47.520%0.20426%0.259CS..Hα-helixtrans-62.7-22.9175.8-64.6177.4000112.3L230 V231 W239 V936 F940L230-L234 HydrophobicContact CD1-CD1 4.08Å; L230-L234 HydrophobicContact CD1-CD2 4.36Å; L230-L234 HydrophobicContact CD1-CG 3.97Å; L230-L234 HydrophobicContact CG-CD1 3.96Å; L230-L234 HydrophobicContact CG-CG 4.25Å; L230-L234 WeakPolarHBondContact O-CG 3.49Å; L230-L234 PolarHBondContact O-N 2.72Å; V231-L234 PolarHBondContact O-N 2.84Å; L234-W239 HydrophobicContact CD2-CH2 3.83Å; L234-W239 HydrophobicContact CD2-CZ3 3.61Å; L234-V936 HydrophobicContact CB-CG1 4.09Å; L234-V936 HydrophobicContact CB-CG2 3.59Å; L234-V936 HydrophobicContact CD1-CG1 3.89Å; L234-F940 HydrophobicContact CD1-CE1 3.79Å; L234-F940 HydrophobicContact CD1-CZ 3.87Å
235S94.4Very high87.1Confident7 Ų745.6 Ų45.65%0.04924%0.244CC..Hα-helixtrans-85.7-21.8176.1-52.20000113.9V231 K233 P929 N932 R933V231-S235 VanDerWaalsContact O-CB 3.3Å; V231-S235 WeakPolarHBondContact O-CB 3.39Å; V231-S235 PolarHBondContact O-N 2.85Å; V231-S235 PolarHBondContact O-OG 3.05Å; K233-S235 PolarHBondContact O-N 2.93Å; S235-P929 WeakPolarHBondContact O-CA 3.45Å; S235-N932 WeakPolarHBondContact O-CB 3.29Å; S235-N932 PolarHBondContact O-ND2 2.87Å; S235-R933 VanDerWaalsContact OG-CA 3.31Å; S235-R933 WeakPolarHBondContact OG-CA 3.38Å; S235-R933 VanDerWaalsContact OG-CB 3.32Å; S235-R933 WeakPolarHBondContact OG-CB 3.43Å; S235-R933 WeakPolarHBondContact OG-CG 3.01Å
236D92.2Very high87.4Confident50 Ų5043.7 Ų43.727%0.26723%0.232SC..  trans-75.5121-176179.4-87.4000110.8A232 K233 D238 W239 L240A232-D236 PolarHBondContact O-N 2.9Å; K233-D236 PolarHBondContact O-N 2.75Å; K233-D236 VanDerWaalsContact O-N 3.13Å; D236-D238 VanDerWaalsContact C-N 3.28Å; D236-D238 PolarHBondContact O-N 3.06Å; D236-D238 WeakPolarHBondContact OD1-CA 3.34Å; D236-D238 WeakPolarHBondContact OD1-CB 3.4Å; D236-D238 PolarHBondContact OD1-N 3.03Å; D236-W239 HydrophobicContact CB-CB 4.1Å; D236-W239 PolarHBondContact O-N 3.29Å; D236-W239 PolarHBondContact OD1-N 3.21Å; D236-L240 PolarHBondContact O-N 3.37Å
237P93.9Very high87.1Confident24 Ų2443.6 Ų43.616%0.15623%0.228CC..Hα-helixtrans-69.1-26.1-172.829.1-37.2000112.9N241 F926P237-N241 WeakPolarHBondContact O-CB 3.36Å; P237-N241 PolarHBondContact O-N 3.19Å; P237-N241 PolarHBondContact O-ND2 2.84Å; P237-N241 PolarHBondContact O-OD1 3.03Å; P237-F926 WeakPolarHBondContact CB-O 3.42Å
238D92.4Very high86.9Confident11 Ų1144.5 Ų44.56%0.05923%0.234CC..Hα-helixtrans-76.1-36.3177.3-17551.7000111.5D236 N241 L242 R882 K887 S890D236-D238 VanDerWaalsContact C-N 3.28Å; D236-D238 PolarHBondContact O-N 3.06Å; D236-D238 WeakPolarHBondContact OD1-CA 3.34Å; D236-D238 WeakPolarHBondContact OD1-CB 3.4Å; D236-D238 PolarHBondContact OD1-N 3.03Å; D238-N241 PolarHBondContact O-N 2.8Å; D238-L242 WeakPolarHBondContact O-CG 3.26Å; D238-L242 PolarHBondContact O-N 2.84Å; D238-R882 IonicContact OD1-CZ 2.8Å; D238-R882 IonicContact OD1-NH1 2.6Å; D238-R882 PolarHBondContact OD1-NH1 2.75Å; D238-R882 IonicContact OD2-CZ 3.08Å; D238-R882 IonicContact OD2-NE 2.77Å; D238-R882 IonicContact OD2-NH1 2.98Å; D238-R882 PolarHBondContact OD2-NH1 3.24Å; D238-K887 HydrophobicContact CB-CD 3.87Å; D238-K887 HydrophobicContact CB-CG 4.15Å; D238-K887 WeakPolarHBondContact OD1-CA 3.43Å; D238-S890 PolarHBondContact OD1-OG 3.04Å
239W89.3Confident86.3Confident80 Ų8045.4 Ų45.430%0.30324%0.242SC..Hα-helixtrans-64.9-41.1170.2-171.686.4000111.9K233 L234 D236 L242 L243K233-W239 HydrophobicContact CB-CD2 4.4Å; K233-W239 HydrophobicContact CD-CG 4.29Å; K233-W239 VanDerWaalsContact O-CE3 3.31Å; L234-W239 HydrophobicContact CD2-CH2 3.83Å; L234-W239 HydrophobicContact CD2-CZ3 3.61Å; D236-W239 HydrophobicContact CB-CB 4.1Å; D236-W239 PolarHBondContact O-N 3.29Å; D236-W239 PolarHBondContact OD1-N 3.21Å; W239-L242 PolarHBondContact O-N 3.06Å; W239-L243 HydrophobicContact CH2-CB 4.5Å; W239-L243 HydrophobicContact CH2-CD1 4.14Å; W239-L243 HydrophobicContact CH2-CD2 3.86Å; W239-L243 HydrophobicContact CH2-CG 4.39Å; W239-L243 HydrophobicContact CZ3-CB 4.31Å; W239-L243 HydrophobicContact CZ3-CD2 3.75Å; W239-L243 HydrophobicContact CZ3-CG 4.47Å; W239-L243 WeakPolarHBondContact O-CB 3.49Å; W239-L243 PolarHBondContact O-N 3.06Å
240L91.1Very high85.2Confident28 Ų2847.4 Ų47.415%0.14724%0.244CC..Hα-helixtrans-62-44.9171.8-69.8177.1000112.1D236 L242 L243 I244 F926 N932D236-L240 PolarHBondContact O-N 3.37Å; L240-L242 VanDerWaalsContact C-N 3.3Å; L240-L242 PolarHBondContact O-N 3.06Å; L240-L243 PolarHBondContact O-N 2.98Å; L240-L243 VanDerWaalsContact O-N 3.15Å; L240-I244 WeakPolarHBondContact O-CG1 3.28Å; L240-I244 PolarHBondContact O-N 2.9Å; L240-F926 HydrophobicContact CD1-CB 4.31Å; L240-N932 HydrophobicContact CD1-CB 4.49Å
241N92.8Very high83.7Confident4 Ų445.9 Ų45.92%0.02124%0.24CC..Hα-helixtrans-59.1-41175.4-67.8-26.7000111.4P237 D238 I245 A894 L923 Q927P237-N241 WeakPolarHBondContact O-CB 3.36Å; P237-N241 PolarHBondContact O-N 3.19Å; P237-N241 PolarHBondContact O-ND2 2.84Å; P237-N241 PolarHBondContact O-OD1 3.03Å; D238-N241 PolarHBondContact O-N 2.8Å; N241-I245 WeakPolarHBondContact O-CG1 3.37Å; N241-I245 PolarHBondContact O-N 3.41Å; N241-A894 HydrophobicContact CB-CB 4.21Å; N241-L923 WeakPolarHBondContact OD1-CD1 3.48Å; N241-Q927 PolarHBondContact ND2-OE1 2.96Å; N241-Q927 VanDerWaalsContact ND2-OE1 3.11Å; N241-Q927 PolarHBondContact OD1-NE2 2.68Å
242L88.9Confident81.6Confident68 Ų6849 Ų4936%0.35626%0.261SS..Hα-helixtrans-65.7-40.6173.4-74.3175.5000113D238 W239 L240 I244 I245 E246D238-L242 WeakPolarHBondContact O-CG 3.26Å; D238-L242 PolarHBondContact O-N 2.84Å; W239-L242 PolarHBondContact O-N 3.06Å; L240-L242 VanDerWaalsContact C-N 3.3Å; L240-L242 PolarHBondContact O-N 3.06Å; L242-I244 VanDerWaalsContact C-N 3.33Å; L242-I244 PolarHBondContact O-N 2.84Å; L242-I245 PolarHBondContact O-N 2.76Å; L242-E246 PolarHBondContact O-N 3.41Å
243L84.6Confident79.5Confident56 Ų5650.8 Ų50.829%0.29327%0.267SS..Hα-helixtrans-62.3-41.6177.3-174.371.1000111.3W239 L240 I245 E246 I247W239-L243 HydrophobicContact CH2-CB 4.5Å; W239-L243 HydrophobicContact CH2-CD1 4.14Å; W239-L243 HydrophobicContact CH2-CD2 3.86Å; W239-L243 HydrophobicContact CH2-CG 4.39Å; W239-L243 HydrophobicContact CZ3-CB 4.31Å; W239-L243 HydrophobicContact CZ3-CD2 3.75Å; W239-L243 HydrophobicContact CZ3-CG 4.47Å; W239-L243 WeakPolarHBondContact O-CB 3.49Å; W239-L243 PolarHBondContact O-N 3.06Å; L240-L243 PolarHBondContact O-N 2.98Å; L240-L243 VanDerWaalsContact O-N 3.15Å; L243-I245 VanDerWaalsContact C-N 3.32Å; L243-I245 PolarHBondContact O-N 3.3Å; L243-E246 PolarHBondContact O-N 2.85Å; L243-I247 HydrophobicContact CD1-CD1 3.85Å; L243-I247 HydrophobicContact CD1-CG1 4.24Å; L243-I247 HydrophobicContact CD2-CD1 4.23Å; L243-I247 HydrophobicContact CG-CD1 3.73Å; L243-I247 HydrophobicContact CG-CG1 4.34Å; L243-I247 WeakPolarHBondContact O-CB 3.34Å; L243-I247 WeakPolarHBondContact O-CG1 3.33Å; L243-I247 PolarHBondContact O-N 2.75Å
244I85.4Confident77.6Confident34 Ų3449.8 Ų49.817%0.17426%0.26CS..Hα-helixtrans-59.7-42.5174.6-67.7165.8000110.6L240 L242 L248 A894 L898 L923L240-I244 WeakPolarHBondContact O-CG1 3.28Å; L240-I244 PolarHBondContact O-N 2.9Å; L242-I244 VanDerWaalsContact C-N 3.33Å; L242-I244 PolarHBondContact O-N 2.84Å; I244-L248 HydrophobicContact CG2-CD1 3.84Å; I244-L248 HydrophobicContact CG2-CG 4.33Å; I244-L248 VanDerWaalsContact O-CB 3.24Å; I244-L248 WeakPolarHBondContact O-CB 3.4Å; I244-L248 WeakPolarHBondContact O-CG 3.42Å; I244-L248 PolarHBondContact O-N 3.49Å; I244-A894 HydrophobicContact CB-CB 4.12Å; I244-A894 HydrophobicContact CG2-CB 3.89Å; I244-L898 HydrophobicContact CG2-CD2 4.31Å; I244-L898 HydrophobicContact CG2-CG 4.08Å; I244-L923 HydrophobicContact CD1-CD1 3.91Å
245I86.1Confident75.7Confident17 Ų1751.5 Ų51.59%0.08727%0.269CS..Hα-helixtrans-64.9-43.1176-64.3162.4000111.4N241 L242 L243 C249 K250 Q893 A894N241-I245 WeakPolarHBondContact O-CG1 3.37Å; N241-I245 PolarHBondContact O-N 3.41Å; L242-I245 PolarHBondContact O-N 2.76Å; L243-I245 VanDerWaalsContact C-N 3.32Å; L243-I245 PolarHBondContact O-N 3.3Å; I245-C249 HydrophobicContact CG2-CB 4.16Å; I245-C249 WeakPolarHBondContact O-CA 3.45Å; I245-C249 VanDerWaalsContact O-CB 3.23Å; I245-C249 WeakPolarHBondContact O-CB 3.4Å; I245-C249 PolarHBondContact O-N 3.42Å; I245-K250 PolarHBondContact O-N 2.91Å; I245-Q893 HydrophobicContact CD1-CB 3.65Å; I245-Q893 HydrophobicContact CG1-CB 4.05Å; I245-A894 HydrophobicContact CG1-CB 4.26Å
246E80.7Confident73.2Confident59 Ų5955.8 Ų55.828%0.27629%0.291SS..Iπ-helixtrans-64-47.8179.7-158.569.7-140.100111.4L242 L243 K250 S251 V863L242-E246 PolarHBondContact O-N 3.41Å; L243-E246 PolarHBondContact O-N 2.85Å; E246-K250 VanDerWaalsContact CD-CD 3.45Å; E246-K250 WeakPolarHBondContact OE1-CD 3.29Å; E246-K250 IonicContact OE1-NZ 3.31Å; E246-K250 PolarHBondContact OE1-NZ 3.44Å; E246-K250 WeakPolarHBondContact OE2-CD 3.4Å; E246-K250 IonicContact OE2-NZ 3.7Å; E246-K250 PolarHBondContact OE2-NZ 2.91Å; E246-S251 PolarHBondContact O-N 3.11Å; E246-V863 HydrophobicContact CG-CG1 4.08Å
247I75.3Confident70.4Confident76 Ų7656.1 Ų56.139%0.3930%0.298SS..Iπ-helixtrans-73.7-39.4-176.7-62.2177.4000111.9L243 S251L243-I247 HydrophobicContact CD1-CD1 3.85Å; L243-I247 HydrophobicContact CD1-CG1 4.24Å; L243-I247 HydrophobicContact CD2-CD1 4.23Å; L243-I247 HydrophobicContact CG-CD1 3.73Å; L243-I247 HydrophobicContact CG-CG1 4.34Å; L243-I247 WeakPolarHBondContact O-CB 3.34Å; L243-I247 WeakPolarHBondContact O-CG1 3.33Å; L243-I247 PolarHBondContact O-N 2.75Å; I247-S251 VanDerWaalsContact O-CB 3.23Å; I247-S251 WeakPolarHBondContact O-CB 3.08Å; I247-S251 PolarHBondContact O-OG 3.08Å
248L77.4Confident67.8Low56 Ų5658.1 Ų58.129%0.29331%0.31SS..Iπ-helixtrans-96.1-37.4-174.5-58.1-171.4000114.3I244 L898 L901I244-L248 HydrophobicContact CG2-CD1 3.84Å; I244-L248 HydrophobicContact CG2-CG 4.33Å; I244-L248 VanDerWaalsContact O-CB 3.24Å; I244-L248 WeakPolarHBondContact O-CB 3.4Å; I244-L248 WeakPolarHBondContact O-CG 3.42Å; I244-L248 PolarHBondContact O-N 3.49Å; L248-L898 HydrophobicContact CD1-CD2 3.83Å; L248-L898 HydrophobicContact CD1-CG 4.33Å; L248-L901 HydrophobicContact CD1-CD1 4.01Å; L248-L901 HydrophobicContact CD1-CD2 4.04Å; L248-L901 HydrophobicContact CD1-CG 4.07Å; L248-L901 HydrophobicContact CD2-CD2 3.74Å
249C72.3Confident65.1Low45 Ų4560.1 Ų60.130%0.30433%0.327SS..Iπ-helixtrans-96.7-25.7-171.2-58.80000113.8I245I245-C249 HydrophobicContact CG2-CB 4.16Å; I245-C249 WeakPolarHBondContact O-CA 3.45Å; I245-C249 VanDerWaalsContact O-CB 3.23Å; I245-C249 WeakPolarHBondContact O-CB 3.4Å; I245-C249 PolarHBondContact O-N 3.42Å
250K60.8Low62.5Low102 Ų10259.2 Ų59.244%0.44333%0.333SS..Iπ-helixtrans-106.1-25.5-177.2-67.7174.9178.5175.90114.8I245 E246 S252 T253 R254I245-K250 PolarHBondContact O-N 2.91Å; E246-K250 VanDerWaalsContact CD-CD 3.45Å; E246-K250 WeakPolarHBondContact OE1-CD 3.29Å; E246-K250 IonicContact OE1-NZ 3.31Å; E246-K250 PolarHBondContact OE1-NZ 3.44Å; E246-K250 WeakPolarHBondContact OE2-CD 3.4Å; E246-K250 IonicContact OE2-NZ 3.7Å; E246-K250 PolarHBondContact OE2-NZ 2.91Å; K250-S252 VanDerWaalsContact C-N 3.32Å; K250-S252 PolarHBondContact O-N 3.14Å; K250-T253 PolarHBondContact O-N 3.48Å; K250-R254 PolarHBondContact O-N 3.28Å
251S50.7Low59.6Low40 Ų4065.7 Ų65.728%0.2836%0.36SS..Hα-helixtrans-59-42.817962.60000112.1E246 I247 T253 R254 L255E246-S251 PolarHBondContact O-N 3.11Å; I247-S251 VanDerWaalsContact O-CB 3.23Å; I247-S251 WeakPolarHBondContact O-CB 3.08Å; I247-S251 PolarHBondContact O-OG 3.08Å; S251-T253 PolarHBondContact O-N 2.68Å; S251-R254 PolarHBondContact O-N 2.87Å; S251-L255 WeakPolarHBondContact O-CG 3.35Å; S251-L255 PolarHBondContact O-N 3.38Å
252S46.1Very low56.8Low64 Ų6471.6 Ų71.645%0.44839%0.391SS..Hα-helixtrans-50.5-57.3172.3-169.10000111K250 R254 L255 D256K250-S252 VanDerWaalsContact C-N 3.32Å; K250-S252 PolarHBondContact O-N 3.14Å; S252-R254 VanDerWaalsContact C-N 3.27Å; S252-R254 PolarHBondContact O-N 3.38Å; S252-L255 WeakPolarHBondContact O-CB 3.44Å; S252-L255 PolarHBondContact O-N 3.25Å; S252-D256 PolarHBondContact O-N 2.82Å; S252-D256 VanDerWaalsContact O-OD2 3.07Å
253T43.3Very low54.1Low91 Ų9175.8 Ų75.856%0.55841%0.409SS*.Hα-helixtrans-62.7-32.4-178.1-38.30000112.8K250 S251 S257K250-T253 PolarHBondContact O-N 3.48Å; S251-T253 PolarHBondContact O-N 2.68Å; T253-S257 WeakPolarHBondContact O-CB 3.37Å; T253-S257 PolarHBondContact O-N 3.48Å
254R44.5Very low51.4Low95 Ų9578.7 Ų78.736%0.35843%0.429SS..Hα-helixtrans-70.8-39.2175.1-163-174.5-76.2-154.52.2111.1K250 S251 S252 S257 V258K250-R254 PolarHBondContact O-N 3.28Å; S251-R254 PolarHBondContact O-N 2.87Å; S252-R254 VanDerWaalsContact C-N 3.27Å; S252-R254 PolarHBondContact O-N 3.38Å; R254-S257 PolarHBondContact O-N 3.27Å; R254-S257 PolarHBondContact O-OG 3.16Å; R254-V258 WeakPolarHBondContact O-CG2 3.39Å; R254-V258 PolarHBondContact O-N 2.85Å
255L46.6Very low48.6Very low75 Ų7582.6 Ų82.639%0.39346%0.458SS..Hα-helixtrans-62.2-47.1174.5-72.3164.6000111.6S251 S252 S257 V258 A259S251-L255 WeakPolarHBondContact O-CG 3.35Å; S251-L255 PolarHBondContact O-N 3.38Å; S252-L255 WeakPolarHBondContact O-CB 3.44Å; S252-L255 PolarHBondContact O-N 3.25Å; L255-S257 PolarHBondContact O-N 3.42Å; L255-V258 PolarHBondContact O-N 3.23Å; L255-A259 PolarHBondContact O-N 3.13Å
256D42.3Very low45.8Very low96 Ų9686.7 Ų86.751%0.51349%0.488SS..Hα-helixtrans-57.1-37.9176.4-55.7-36.6000112S252 V258 S260S252-D256 PolarHBondContact O-N 2.82Å; S252-D256 VanDerWaalsContact O-OD2 3.07Å; D256-V258 VanDerWaalsContact C-N 3.31Å; D256-V258 PolarHBondContact O-N 2.98Å; D256-S260 PolarHBondContact O-N 3.31Å; D256-S260 VanDerWaalsContact O-N 3.14Å; D256-S260 PolarHBondContact O-OG 3.07Å
257S34.4Very low43.3Very low57 Ų5792 Ų9240%0.39952%0.517SS..Hα-helixtrans-73.8-16.8178.179.10000114.8T253 R254 L255 K261T253-S257 WeakPolarHBondContact O-CB 3.37Å; T253-S257 PolarHBondContact O-N 3.48Å; R254-S257 PolarHBondContact O-N 3.27Å; R254-S257 PolarHBondContact O-OG 3.16Å; L255-S257 PolarHBondContact O-N 3.42Å; S257-K261 WeakPolarHBondContact O-CG 3.48Å
258V38.9Very low41.1Very low67 Ų6794 Ų9441%0.40654%0.535SS..Hα-helixtrans-92.8-39.5176.1171.70000110.4R254 L255 D256 K261 L262R254-V258 WeakPolarHBondContact O-CG2 3.39Å; R254-V258 PolarHBondContact O-N 2.85Å; L255-V258 PolarHBondContact O-N 3.23Å; D256-V258 VanDerWaalsContact C-N 3.31Å; D256-V258 PolarHBondContact O-N 2.98Å; V258-K261 PolarHBondContact O-N 3.44Å; V258-L262 HydrophobicContact CG1-CD1 4.13Å; V258-L262 PolarHBondContact O-N 3.36Å; V258-L262 VanDerWaalsContact O-N 3.17Å
259A36.4Very low38.9Very low52 Ų5299.4 Ų99.443%0.4356%0.564SS.*Hα-helixtrans-58.4-53.3172.500000111.4L255 K261 L262 E263L255-A259 PolarHBondContact O-N 3.13Å; A259-K261 PolarHBondContact O-N 3.36Å; A259-L262 PolarHBondContact O-N 2.85Å; A259-E263 PolarHBondContact O-N 2.9Å; A259-E263 VanDerWaalsContact O-N 3.09Å
260S33.5Very low36.9Very low61 Ų61103.2 Ų103.243%0.42759%0.588SS.*Hα-helixtrans-62.6-26.7-179.953.40000114D256 T264D256-S260 PolarHBondContact O-N 3.31Å; D256-S260 VanDerWaalsContact O-N 3.14Å; D256-S260 PolarHBondContact O-OG 3.07Å; S260-T264 PolarHBondContact O-OG1 3.36Å
261K30.1Very low35.3Very low164 Ų164103.2 Ų103.271%0.71361%0.607SS**Hα-helixtrans-74.4-32.1172.3-87.6-173.7172.2-176.40114S257 V258 A259S257-K261 WeakPolarHBondContact O-CG 3.48Å; V258-K261 PolarHBondContact O-N 3.44Å; A259-K261 PolarHBondContact O-N 3.36Å
262L33.5Very low34.3Very low128 Ų128105.8 Ų105.867%0.6763%0.631SS**Hα-helixtrans-77.1-34.3177.6-74.6163.2000111.8V258 A259 T264 C265V258-L262 HydrophobicContact CG1-CD1 4.13Å; V258-L262 PolarHBondContact O-N 3.36Å; V258-L262 VanDerWaalsContact O-N 3.17Å; A259-L262 PolarHBondContact O-N 2.85Å; L262-T264 PolarHBondContact O-N 3.46Å; L262-C265 PolarHBondContact O-N 2.97Å
263E33Very low33.3Very low156 Ų156111.5 Ų111.573%0.72965%0.65SS**THydrogen-bonded Turntrans-69.3-11.7177.4-68.8-178.215000114.5A259A259-E263 PolarHBondContact O-N 2.9Å; A259-E263 VanDerWaalsContact O-N 3.09Å
264T27Very low32.5Very low117 Ų117111.7 Ų111.772%0.71866%0.655SS**THydrogen-bonded Turntrans-91.4-2.3-178.4-49.40000113.3S260 L262S260-T264 PolarHBondContact O-OG1 3.36Å; L262-T264 PolarHBondContact O-N 3.46Å
265C27Very low31.6Very low116 Ų116115.3 Ų115.378%0.78468%0.676SS**  trans-110.356.5-175.8-76.30000114.1L262L262-C265 PolarHBondContact O-N 2.97Å
266S27.2Very low30.5Very low103 Ų103117.4 Ų117.472%0.7269%0.692SS**  trans-136.4104.4170.557.30000112.1
267L28.5Very low30.3Very low170 Ų170117.8 Ų117.889%0.8970%0.7SS**PPolyproline II helixtrans-91.5157.5166.2-84.6171000110.3
268P29.9Very low29.8Very low118 Ų118121 Ų12177%0.76672%0.717SS**PPolyproline II helixtrans-81.6150.4-151.930.6-36.8000115.5
269L31.8Very low29.2Very low170 Ų170124.5 Ų124.589%0.8973%0.733SS**PPolyproline II helixtrans-78.8139.8165.3-76.3159.3000110.8
270P29.2Very low28.8Very low126 Ų126130.1 Ų130.182%0.81875%0.75SS**PPolyproline II helixtrans-75.9155.5173.232.4-34.9000111.8
271A28.5Very low28.2Very low101 Ų101132.1 Ų132.184%0.83576%0.763SS**  trans-120.8138.1-173.700000113.9
272A28.2Very low28Very low94 Ų94129.8 Ų129.878%0.77776%0.762SS**  trans-170.6124.2163.400000105.4
273E24.6Very low27.4Very low184 Ų184129.3 Ų129.386%0.8677%0.765SS**  cis59.5126.230.7-62.6-160.816900113
274S27.6Very low27.1Very low95 Ų95130.3 Ų130.366%0.66477%0.77SS**  cis-137.7-167.99.8-73.90000109.8
275E26.3Very low26.9Very low172 Ų172128.2 Ų128.280%0.80477%0.765SS**  cis-145.4135.621.5-70-178.6158.600110.4
276T23.1Very low26.7Very low118 Ų118129.9 Ų129.972%0.72477%0.766SS**  57.4159.680.988.60000115.8
277P36.6Very low26.5Very low105 Ų105129.5 Ų129.568%0.68276%0.763SS**  cis-120-155.3-3.344.4-30.2000111.4
278T24.8Very low26.2Very low123 Ų123130 Ų13076%0.75576%0.76SS**  cis-162160.98.517.80000106.8
279L27.2Very low25.8Very low141 Ų141128.6 Ų128.674%0.73875%0.754SS**  cis-176.6178.5-31.3-152.264.4000108.9
280Q26.6Very low25.3Very low170 Ų170126.9 Ų126.979%0.79475%0.745SS**  trans78.4139.6152.9-73.5-173.60.800120.3
281C21.9Very low25.1Very low103 Ų103128 Ų12870%0.69674%0.739SS**  cis-160.1-158.6-10.6-132.30000108.9
282V24.5Very low24.9Very low115 Ų115131.2 Ų131.270%0.69774%0.737SS**  cis-158.6141.815.8-137.70000111
283T22.9Very low24.8Very low118 Ų118129.8 Ų129.872%0.72473%0.731SS**  trans57.3152.2149.741.70000121.7
284Q24.9Very low24.9Very low177 Ų177125.1 Ų125.183%0.82772%0.724SS**  cis-169.5166.7-19.7-149.1171.4-3.100111
285A23.1Very low24.9Very low74 Ų74128.1 Ų128.161%0.61273%0.727SS**  trans80.8110.2142.700000123.2
286N23.3Very low24.8Very low151 Ų151126.4 Ų126.481%0.80772%0.721SS**  85.9128.9118.7-66.210.6000124.7
287S23.2Very low25Very low94 Ų94127.3 Ų127.366%0.65772%0.717SS**  trans86.3119.7138.1-67.40000122.4
288E22.2Very low24.6Very low180 Ų180128.5 Ų128.584%0.84172%0.717SS**  trans65.6145.6142.2-66166-154.900119.3
289S21.3Very low24.7Very low89 Ų89128.2 Ų128.262%0.62272%0.715SS**  cis-168.8168.7-17.459.80000110.3
290L21.1Very low24.7Very low134 Ų134127.3 Ų127.370%0.70271%0.711SS**  trans68.2117.7161.8-63.8163.1000117.3
291Q25Very low24.7Very low150 Ų150125.5 Ų125.570%0.70171%0.707SS**  68.5143.496.5-71.1-175.1-11.700114.9
292Q25.3Very low25.1Very low169 Ų169126 Ų12679%0.7971%0.707SS**  cis-161.3161.84.9-115.5156.5-8.200106.8
293G24.6Very low25.3Very low63 Ų63129.4 Ų129.465%0.64972%0.715SS**  cis-166.9150.6-3.100000107.6
294A28.2Very low25.6Very low86 Ų86128.2 Ų128.271%0.71172%0.717SS**  81.4135.277.400000112.4
295E26.6Very low25.6Very low159 Ų159124.7 Ų124.774%0.74372%0.719SS**  cis-167.1166.26.2-124163.3166.600112.7
296M25.4Very low25.6Very low136 Ų136129.2 Ų129.267%0.6773%0.732SS**  trans67.3142.6143.3-78.9164.2165.200121.9
297E27.1Very low26.3Very low137 Ų137126.7 Ų126.764%0.6472%0.723SS**  cis-165168.6-15.6-132.5178.4-174.700113.1
298L28Very low26.4Very low129 Ų129130.5 Ų130.568%0.67573%0.731SS**  trans21.2162.5137.6-94.848.5000122
299T25.8Very low26.7Very low117 Ų117127.9 Ų127.972%0.71872%0.722SS**  cis-162.3170.417.69.80000107.3
300D27.3Very low27Very low123 Ų123131.6 Ų131.666%0.65873%0.729SS**  cis-167.9-175-27.6-142.3-32.7000109.2
301D26.6Very low27.3Very low132 Ų132129.4 Ų129.471%0.70673%0.73SS**  trans72.8129159-64.1-47000119.6
302T30.4Very low27.5Very low113 Ų113132 Ų13269%0.69374%0.735SS**  cis89.213433.3-55.30000111.4
303E30.2Very low27.5Very low187 Ų187130.6 Ų130.687%0.87473%0.733SS**  cis-149.117428.9-151.3164.2-163.200116.1
304A28.4Very low27.6Very low93 Ų93131.7 Ų131.777%0.76974%0.736SS**  trans-64.1172-168.800000122.5
305A25.2Very low27.5Very low103 Ų103134.8 Ų134.885%0.85175%0.746SS**  -172.8156.1121.500000115.1
306L21.8Very low27.5Very low169 Ų169134.5 Ų134.589%0.88575%0.75SS**  trans-116.5-167.5-179.9-92.3143.6000110.2
307P39.6Very low27.6Very low98 Ų98134.5 Ų134.564%0.63676%0.758SS**  cis-139.1174.1-6.61711.2000118.1
308E25.4Very low27.6Very low173 Ų173136.7 Ų136.781%0.80877%0.768SS**  trans62.4156.5138.6-72.1-179154.500124.6
309L28.1Very low27.3Very low126 Ų126139.8 Ų139.866%0.6678%0.779SS**  cis-171.7132.8-28.2-159.7101000114.1
310H26.2Very low27.5Very low166 Ų166140.2 Ų140.277%0.76978%0.781SS**  trans61.5161.2157.9-64.9-179000120.1
311A28.5Very low27.2Very low88 Ų88143.8 Ų143.873%0.72779%0.791SS**  cis-172.9146.644.700000118.5
312Y29.2Very low27.2Very low205 Ų205146.7 Ų146.780%0.80480%0.798SS**  trans59.9133.1146.1-71.2-69.6000128.8
313D25.3Very low27Very low140 Ų140147 Ų14775%0.74980%0.801SS**  trans72.6107.4137-70.9-10.3000128.1
314A26.8Very low26.9Very low86 Ų86146.9 Ų146.971%0.71180%0.801SS**  49.8122.6117.500000124.7
315T26.4Very low26.6Very low150 Ų150149.3 Ų149.392%0.9281%0.806SS**  -177.4168115.421.50000113.1
316D25.2Very low26.7Very low154 Ų154154.3 Ų154.382%0.82481%0.809SS**  trans-82.2167.4-169.6-68.7-69000117.5
317T27.2Very low26.8Very low136 Ų136152.1 Ų152.183%0.83481%0.808SS**  trans119.1147.7142.9-34.30000116.7
318E27.3Very low26Very low183 Ų183150.9 Ų150.986%0.85581%0.813SS**  trans-65.7144.5-171.1-49174.5128.900115.1
319E23.1Very low26Very low193 Ų193152.2 Ų152.290%0.90282%0.819SS**  -167.5169.3111.8-115.3-169.7-174.200113.2
320V29Very low25.8Very low127 Ų127155.5 Ų155.577%0.7783%0.831SS**  trans-94133.2-167.2174.20000113.5
321K21.2Very low25.7Very low197 Ų197157.1 Ų157.186%0.85784%0.839SS**  trans-167.1137.5143-111150.6-169.31630115.9
322F26.9Very low25.5Very low194 Ų194157.1 Ų157.185%0.85184%0.839SS**  trans-69.9156.6154.4-80.9-93.9000110.8
323P26.8Very low25.3Very low119 Ų119152.9 Ų152.977%0.77384%0.839SS**  trans-127.4136133.334.8-25.9000112.6
324Q26.3Very low25.4Very low184 Ų184157.6 Ų157.686%0.8685%0.847SS**  trans-87.1136.8157-67.4174.6-32.200108.9
325T23.3Very low25.6Very low144 Ų144158.4 Ų158.488%0.88385%0.845SS**  trans-157.6151.1143.56.80000111.6
326F27.2Very low25.5Very low209 Ų209160.2 Ų160.292%0.91784%0.84SS**  trans-88138.6-179.5-95.2-116.5000112.6
327S23.3Very low25.5Very low122 Ų122160.5 Ų160.585%0.85384%0.841SS**  trans-157.9134.1139.252.60000108.8
328G23.9Very low25.3Very low72 Ų72165.6 Ų165.674%0.74285%0.845SS**  cis117.673.2-3.200000112.5
329E24.3Very low25.1Very low202 Ų202163.4 Ų163.494%0.94485%0.848SS**  trans-144.7141166.5-120.4165.4-15000109.1
330E24.8Very low25.4Very low194 Ų194165.3 Ų165.391%0.90785%0.849SS**  trans-111.5152.2-176.2-58.1177.9106.200110.1
331E23.5Very low25.2Very low201 Ų201167.7 Ų167.794%0.93986%0.856SS**  trans-146153.9135.5-136.7178.2-178.100112.6
332A23.6Very low25.4Very low88 Ų88170.4 Ų170.473%0.72786%0.861SS**  trans-92159.2-166.500000111.7
333S25.1Very low25.3Very low116 Ų116164 Ų16481%0.81185%0.85SS**  -175152.664.642.60000114.2
334R27.9Very low25.2Very low238 Ų238167.8 Ų167.890%0.89885%0.849SS**  trans-104.7166.8162-65.7178.6166175.8-3.6108.7
335P32.1Very low25.4Very low103 Ų103167.9 Ų167.967%0.66985%0.846SS**  -150.6160.293.141.3-25.2000116.9
336F22.6Very low25.7Very low189 Ų189165.6 Ų165.683%0.82984%0.836SS**  trans63135169.9-51.1-65.6000118
337L26.7Very low25.9Very low160 Ų160161.2 Ų161.284%0.83882%0.822SS**  cis71.766.331.9-68.9173.2000117.1
338R22.6Very low26.5Very low243 Ų243159.7 Ų159.792%0.91781%0.809SS**  trans-166.5114.9136.6-119.7178.9179.3178.10.6113.2
339C23.6Very low26.7Very low137 Ų137163 Ų16393%0.92680%0.803SS**  trans-174.751.6149.3-98.80000112.6
340Y28.1Very low27.2Very low233 Ų233163.9 Ų163.991%0.91480%0.8SS**  trans-86.5109162-97.4-86000109
341L25.4Very low27.5Very low176 Ų176163.6 Ų163.692%0.92180%0.799SS**  trans170.3109.2150.5-98.7164.9000112.1
342R25.1Very low27.7Very low254 Ų254163.1 Ų163.196%0.95880%0.796SS**  trans149.2142.7149.6178170.6-80-163.8-4.5110.7
343G24.8Very low27.9Very low60 Ų60165.4 Ų165.462%0.61980%0.801SS**  trans11037.5163.300000118.3K345G343-K345 PolarHBondContact O-N 2.85Å
344R25.1Very low28Very low199 Ų199167.6 Ų167.675%0.75180%0.804SS**  trans-67.195.9171.7-171.4-176.7-170.6-158.31110.6
345K31.1Very low28Very low186 Ų186161.8 Ų161.881%0.80980%0.8SS**PPolyproline II helixtrans-79.3150.5175-65.9-174.9178.7-179.40111.6G343G343-K345 PolarHBondContact O-N 2.85Å
346S28.9Very low27.7Very low96 Ų96165 Ų16567%0.67181%0.811SS**PPolyproline II helixtrans-87.3155.6171.243.20000111.7
347N31.5Very low28.4Very low116 Ų116161.5 Ų161.562%0.6281%0.808SS**PPolyproline II helixtrans-83.9127.6180-160.72.7000109.7F349N347-F349 VanDerWaalsContact C-N 3.32Å; N347-F349 PolarHBondContact O-N 2.88Å
348P35.5Very low28.5Very low90 Ų90162 Ų16258%0.58481%0.812SS**THydrogen-bonded Turntrans-81.44.4-16531.6-37.8000116.2Y350P348-Y350 PolarHBondContact O-N 2.98Å
349F28.9Very low28.7Very low141 Ų141155.4 Ų155.462%0.61880%0.802SS**THydrogen-bonded Turntrans-82.5-0.3-169.9-89.1-82.4000116.7N347N347-F349 VanDerWaalsContact C-N 3.32Å; N347-F349 PolarHBondContact O-N 2.88Å
350Y33.7Very low29.6Very low221 Ų221154 Ų15487%0.86779%0.791SS**  trans-142112.1173.8-85.9-92.3000110.9P348P348-Y350 PolarHBondContact O-N 2.98Å
351Q31.8Very low29.5Very low189 Ų189150.8 Ų150.888%0.88379%0.789SS**  trans-149.8120.5158.6-161.5158.1000109.7
352E27.7Very low29.6Very low190 Ų190146.3 Ų146.389%0.88878%0.778SS**  trans-76.1143.9179.5-65.8167.2128.700110.4
353T28.7Very low29.6Very low136 Ų136140.6 Ų140.683%0.83477%0.766SS**  trans-87.1110.8174.448.70000110.9
354D26.4Very low29.6Very low163 Ų163147.6 Ų147.687%0.87278%0.776SS**  trans-128.3148154.8-100-34.9000108.2
355S29Very low29.5Very low116 Ų116147.3 Ų147.381%0.81178%0.78SS**  trans-152.5102.6-178-67.60000110.8
356D25.4Very low29.7Very low169 Ų169143.6 Ų143.690%0.90477%0.774SS**PPolyproline II helixtrans-95.9135169-91.8-37.5000110.1
357P35.9Very low29.5Very low117 Ų117145 Ų14576%0.7678%0.78SS**PPolyproline II helixtrans-88.2158.2176.535.2-34.8000113.3
358D28.6Very low29.2Very low171 Ų171144.3 Ų144.391%0.91478%0.784SS**PPolyproline II helixtrans-64157.9178.7-74.3-65.3000114.9
359S27.6Very low28.7Very low104 Ų104145.5 Ų145.573%0.72779%0.789SS**  trans-128.9150.1169.9-172.50000109.4
360P42.1Very low28.5Very low107 Ų107146.8 Ų146.870%0.69580%0.802SS**  -152.6150.5112.936-18.8000117.1
361L25.5Very low28.1Very low165 Ų165140.7 Ų140.786%0.86479%0.792SS**  trans60.4140.5145.8-62.3164.9000119.2
362A27.7Very low27.7Very low83 Ų83139 Ų13969%0.68679%0.789SS**  cis-168-165.3-11.100000107
363D26.2Very low27.6Very low133 Ų133136.6 Ų136.671%0.71178%0.78SS**  cis-161.8-177.53.3-156.8-3000111
364Y24Very low27.5Very low208 Ų208137.5 Ų137.582%0.81678%0.777SS**  trans69.4131.1163.2-86.1-89.9000121.4
365K24.2Very low27.5Very low192 Ų192136.8 Ų136.884%0.83577%0.771SS**  trans-99.3-173.6168.1-81.7-179.2176.4175.60109.8
366P34.9Very low27.2Very low108 Ų108134.1 Ų134.170%0.70176%0.762SS**  cis-125.2-173.1-3.921.65.6000111.8
367T24.4Very low27.2Very low127 Ų127135.2 Ų135.278%0.77976%0.762SS**  -175.2159.459.737.20000113
368S25Very low26.8Very low101 Ų101135.5 Ų135.571%0.70676%0.761SS**  trans13.5157.5142.8-97.10000123.5
369T25.6Very low26.7Very low115 Ų115133.8 Ų133.871%0.70675%0.752SS**  cis-178.6140.8-23.220.10000106.6
370D24.6Very low26.6Very low167 Ų167134.5 Ų134.589%0.89375%0.752SS**  -177.6167.7121.2-106.4-26.7000113.3
371S24.1Very low25.8Very low93 Ų93137.1 Ų137.165%0.6576%0.76SS**  trans-136.9144.4-175.264.80000112.8
372L24.5Very low25.8Very low154 Ų154138.7 Ų138.781%0.80676%0.756SS**  trans-173.9129.9145-88.2134.8000106.5
373I25.7Very low25.7Very low140 Ų140141.5 Ų141.572%0.71876%0.759SS**  73.1129.463.7-69.8168.8000111
374M25.4Very low25.6Very low154 Ų154145.6 Ų145.676%0.75976%0.764SS**  cis-169.9-176.5-3.5-113.3-76.6-73.900109.6
375I26.8Very low25.6Very low148 Ų148140.5 Ų140.576%0.75976%0.759SS**  trans73.6134.4162.8-36.6-173.3000116.4
376G23.2Very low25.7Very low60 Ų60140.6 Ų140.662%0.61976%0.76SS**  cis126.6102.6-16.900000117.2
377Q26.2Very low25.2Very low193 Ų193139.3 Ų139.390%0.90275%0.753SS**  trans-176.8131.9158.4-105.4163.7-10.900107.9
378V26.4Very low25.3Very low123 Ų123143 Ų14375%0.74576%0.755SS**  cis11094.314.4179.80000114.1
379D26.2Very low25.3Very low134 Ų134144.3 Ų144.372%0.71775%0.752SS**  trans70.5114.8137.9-62.5-9.8000126.1
380T25.3Very low25.2Very low120 Ų120145 Ų14574%0.73676%0.756SS**  trans73.1133.8132.7630000122.7
381L25.1Very low25.3Very low162 Ų162142.6 Ų142.685%0.84875%0.748SS**  -174.3159.4104.4-95.7171.8000115.5
382Y26Very low25.4Very low198 Ų198142.7 Ų142.778%0.77675%0.754SS**  trans-63.9158.9-165.8-95.4-83.9000122.3
383N25.4Very low25.4Very low142 Ų142143.6 Ų143.676%0.75975%0.754SS**  trans70.2159.3145.1-79.9-38.3000118.6
384R25.3Very low25.4Very low218 Ų218143.6 Ų143.682%0.82376%0.756SS**  cis-164.3139.216.8-154.1-168-179162.8-0.3114.2
385S24Very low25.5Very low101 Ų101142.1 Ų142.171%0.70675%0.751SS**  trans57.2167.4147.964.50000120.5
386K25.8Very low25.5Very low195 Ų195140.4 Ų140.485%0.84875%0.752SS**  cis-153.71785.5-144.4178.3-178.6-171.90111.2
387S23.9Very low25.4Very low81 Ų81141.9 Ų141.957%0.56675%0.753SS**  trans-100.8165.5-172.353.60000116.3
388Y26.3Very low25.5Very low205 Ų205139.4 Ų139.480%0.80475%0.745SS**  174.7158.2115.6-97.4-70.1000117.1
389I25.4Very low25.4Very low127 Ų127140.1 Ų140.165%0.65174%0.744SS**  trans-65.4148.2-170-62.5156.5000118.6T391I389-T391 HydrophobicContact CG2-CG2 3.93Å
390T24.2Very low25.7Very low129 Ų129140.5 Ų140.579%0.79175%0.746SS**  trans-165.3118.2143.1-34.10000107.3
391T25.4Very low25.7Very low117 Ų117143 Ų14372%0.71875%0.749SS**  73.213653.965.80000118I389I389-T391 HydrophobicContact CG2-CG2 3.93Å
392A26.3Very low25.7Very low95 Ų95143.3 Ų143.379%0.78575%0.746SS**  trans114.9144.8158.200000118.4
393E26.3Very low25.7Very low174 Ų174139.5 Ų139.581%0.81374%0.743SS**  trans-78165.2-178.3-52.5105.8141.600113.8
394D25.3Very low25.7Very low140 Ų140138 Ų13875%0.74974%0.744SS**  179.8153.595.3-14221.3000117.2
395N27Very low26.1Very low123 Ų123133.2 Ų133.266%0.65874%0.741SS**  trans8.1142.4158.4-70.8-51.9000125.9
396S25.9Very low26.1Very low111 Ų111133.5 Ų133.578%0.77674%0.743SS**  trans71.1159.613772.20000121
397S22.6Very low26.8Very low92 Ų92129.6 Ų129.664%0.64374%0.738SS**  cis-175.4151.3-29.457.90000112.3
398I28.3Very low26.9Very low141 Ų141131.6 Ų131.672%0.72375%0.746SS**  trans75.1138.1147.9-71.9163000119.7
399D24.6Very low26.8Very low138 Ų138129.7 Ų129.774%0.73875%0.75SS**  trans56.8165159-69.3-5.2000121.6
400L30.5Very low26.7Very low142 Ų142127.5 Ų127.574%0.74376%0.759SS**  cis-175.8174.8-47.6-119.6175000106.5
401E26.9Very low26.7Very low173 Ų173126.3 Ų126.381%0.80876%0.756SS**  trans64.9152.1167.2-79.2-176.3-168.300117.6
402E25.2Very low26.5Very low167 Ų167131.6 Ų131.678%0.7876%0.764SS**  cis-161.5-152.2-24.1-153.2-156.6-158.700108.5
403V25.5Very low27Very low118 Ų118131.9 Ų131.972%0.71576%0.758SS**  trans7297.7164.1-166.30000117.8
404S25.5Very low26.9Very low111 Ų111133 Ų13378%0.77676%0.76SS**  trans-84159.2143.7660000109.9
405P33.2Very low26.8Very low117 Ų117133 Ų13376%0.7677%0.765SS**  -149.5157.9105.938.4-22.8000115.8
406S24.3Very low26.7Very low108 Ų108134 Ų13476%0.75577%0.769SS**  trans-94.8168.4152.370.40000108.9
407P39.7Very low26.5Very low113 Ų113136 Ų13673%0.73477%0.77SS**  -162.3-178.574.845.3-24000118.6
408V27.5Very low26.7Very low123 Ų123137.8 Ų137.875%0.74577%0.773SS**  trans77.3124.2147.1166.80000122.5
409D23.3Very low26.7Very low164 Ų164135.7 Ų135.788%0.87777%0.771SS**  trans48.2151.5149.6-68.5-24.7000125.7
410G24Very low26.6Very low82 Ų82135 Ų13585%0.84577%0.771SS**  trans152.793.7155.200000116.1
411S22.6Very low26.5Very low104 Ų104135.7 Ų135.773%0.72778%0.775SS**  trans-107.2135.1-167.751.60000117.5
412Y21.5Very low26.7Very low228 Ų228133.3 Ų133.389%0.89477%0.772SS**  trans62.5177.6154.8-71.7-57000117.9
413P37.2Very low26.6Very low100 Ų100132 Ų13265%0.64977%0.77SS**  cis-141.5-179.97.145.9-28.4000119.1
414K24.4Very low26.7Very low199 Ų199131.2 Ų131.287%0.86577%0.77SS**  trans69.9161.2156.3-74.4167.3178.1174.70117.4
415V23.3Very low27.5Very low140 Ų140131.5 Ų131.585%0.84877%0.769SS**  cis-128.8166.316.6178.20000111.9
416L24.6Very low27.2Very low144 Ų144131.8 Ų131.875%0.75476%0.764SS**  trans-137157.2-176.9172.5153.1000110.8
417L22.8Very low27.2Very low152 Ų152133.6 Ų133.680%0.79677%0.765SS**  trans-150.6107.1165.8-151.577.6000115.6
418N26Very low26.5Very low129 Ų129131.7 Ų131.769%0.6977%0.767SS**  trans50.5153.3138.4-60.83.2000122.6
419S27.8Very low26.2Very low98 Ų98131.6 Ų131.669%0.68577%0.77SS**  cis179.9148.3-18.653.10000107
420V23.1Very low26.2Very low124 Ų124130.7 Ų130.775%0.75277%0.765SS**  -177.2122.871.7169.50000104.9
421L28.4Very low26.1Very low155 Ų155132 Ų13281%0.81276%0.761SS**  76.3142.677.4-145.879.2000117.1
422V30.8Very low26.1Very low123 Ų123132.2 Ų132.275%0.74576%0.762SS**  trans88.9119.7172.3-175.40000114.1
423D24Very low26.2Very low139 Ų139128.2 Ų128.274%0.74376%0.756SS**  cis-162.7-157.1-11.8-139.8-83.1000113
424S25.9Very low25.7Very low102 Ų102132.9 Ų132.971%0.71376%0.76SS**  trans-141.9-151.3173.8-47.40000111.1
425P44Very low25.7Very low117 Ų117128.6 Ų128.676%0.7675%0.747SS**  cis-121.7-162.72.638.9-15.9000112.3
426N25.7Very low25.7Very low123 Ų123127.5 Ų127.566%0.65874%0.74SS**  cis-163.9151.720.6-16051.3000113.8
427D25.3Very low25.8Very low146 Ų146128.5 Ų128.578%0.78174%0.741SS**  trans41.2154.3157.4-66.5-27000122.2
428G24.5Very low25.9Very low74 Ų74127.4 Ų127.476%0.76374%0.735SS**  cis-170.3-172.14.800000111.3
429C21.3Very low25.7Very low120 Ų120126.9 Ų126.981%0.81174%0.737SS**  trans-126.5167.3-163.8-149.60000115.7
430L22.7Very low25.4Very low146 Ų146127.8 Ų127.876%0.76474%0.741SS**  trans72111.6154.6-81.4164.3000122.3
431S21.6Very low25.4Very low109 Ų109126.2 Ų126.276%0.76274%0.736SS**  75.4159122.276.70000122.7
432S23.4Very low25.3Very low108 Ų108124.2 Ų124.276%0.75573%0.73SS**  trans107.4124.1167.2-163.30000114.1
433L23.2Very low24.9Very low145 Ų145125.5 Ų125.576%0.75973%0.733SS**  cis174.7160.2-14.3-114.6163.3000106.1
434R25.8Very low25Very low197 Ų197123.8 Ų123.874%0.74373%0.732SS**  trans77.1125153.4-74.6-175.8177.3-86.92.1122.9
435D24.6Very low25.1Very low109 Ų109125.4 Ų125.458%0.58373%0.732SS**  72.192120.5-48.6-8.6000121
436T24.8Very low24.4Very low117 Ų117126.8 Ų126.872%0.71873%0.728SS**  44.3126.2121.349.30000122.8
437E25.9Very low24.4Very low166 Ų166126.8 Ų126.878%0.77673%0.728SS**  100127.7126.9-80.8-179-178.900123.7
438I24.7Very low24.4Very low129 Ų129125.5 Ų125.566%0.66272%0.72SS**  trans89.988.7134.5-69.5168.7000121.1
439T21.8Very low24.5Very low118 Ų118129.7 Ų129.772%0.72472%0.718SS**  trans79.4138.2130.664.10000124.8
440C20.8Very low24.6Very low116 Ų116132.8 Ų132.878%0.78471%0.713SS**  trans72.3145142.5-74.70000120.7
441S24.9Very low24.7Very low92 Ų92132.6 Ų132.664%0.64371%0.708SS**  cis-169.2163.1-14-115.50000114.9
442T24.6Very low24.8Very low112 Ų112134.2 Ų134.269%0.68771%0.708SS**  trans50.5122.1147.956.60000123
443N23Very low24.8Very low151 Ų151134.6 Ų134.681%0.80771%0.71SS**  -172.4132.1104.9-84.1-27.7000108.5
444S27.5Very low24.9Very low102 Ų102133 Ų13371%0.71371%0.711SS**  cis9615217.5-157.10000116.3
445L27.6Very low25.4Very low137 Ų137129.2 Ų129.272%0.71771%0.712SS**  trans84.3133.3-171.9-68.776.6000115.4
446Q28Very low25.3Very low146 Ų146128.3 Ų128.368%0.68272%0.72SS**  cis-159.5148.30.2-130.4-178.8-45.800114.3
447D26.4Very low25.3Very low123 Ų123127.2 Ų127.266%0.65872%0.723SS**  trans56.8149.5141.6-71.3-12.3000121.9
448L25.6Very low25.3Very low118 Ų118124.2 Ų124.262%0.61872%0.72SS**  cis-159.4138.75.4-153.772.3000112.7
449K25.9Very low25.3Very low162 Ų162126.8 Ų126.870%0.70473%0.729SS**  trans51.2157.2146.7-75.3170.8-165.6163.70121.1
450R24.2Very low25.6Very low186 Ų186126.4 Ų126.470%0.70273%0.732SS**  cis-164.9135.4-10.2156.5177.4-82.6162.1-5.9110.8
451E24.1Very low26.1Very low142 Ų142130.6 Ų130.666%0.66473%0.731SS**  trans20.8137.8144.6-51.9165.8100.700124.4
452N23.3Very low26.2Very low143 Ų143132.4 Ų132.477%0.76573%0.729SS**  trans95.8146.3130.8-73.3-10.9000125
453S24.7Very low26.2Very low116 Ų116134.4 Ų134.481%0.81174%0.735SS**  trans78.9110157.7640000121.4
454S25Very low26.5Very low110 Ų110132.8 Ų132.877%0.76973%0.73SS**  trans-82.9156.9137.157.40000109.6
455P35.8Very low26.4Very low118 Ų118136.3 Ų136.377%0.76674%0.74SS**  -155.317194.140.8-22.5000117.8
456A23.4Very low26.3Very low91 Ų91132.9 Ų132.975%0.75274%0.738SS**  trans52.3114.5141.600000124.2
457A25.1Very low26.3Very low93 Ų93132.8 Ų132.877%0.76975%0.747SS**  63.6119.8114.100000124.7
458S24.2Very low26.6Very low104 Ų104134.9 Ų134.973%0.72775%0.753SS**  trans60.6107.2131.562.60000125
459Q26.3Very low27.7Very low183 Ų183133.6 Ų133.686%0.85575%0.751SS**  61.8143.4125.9-65.1-172.6-6.500124.4
460S27.8Very low27.7Very low110 Ų110132.7 Ų132.777%0.76976%0.759SS**  trans67.3153.416529.50000117.2
461R31Very low27.7Very low204 Ų204127.2 Ų127.277%0.7776%0.761SS**  cis-164.71736.5-116.5176.4129.7-167.2-14107.5
462E26.3Very low27.8Very low130 Ų130129.5 Ų129.561%0.60778%0.777SS**  cis-163.9-167.6-13.1-164.8146.1-8500109
463L24.5Very low27.8Very low153 Ų153126.2 Ų126.280%0.80178%0.777SS**  trans77159.2164.5-58.1169.9000119.1
464V29Very low27.9Very low118 Ų118128.5 Ų128.572%0.71578%0.78SS**  -171.4166.9-55132.30000110.4
465L25.5Very low28.8Very low175 Ų175128.2 Ų128.292%0.91678%0.776SS**  trans88.9138.2-179.4-52.6172.4000116.5
466G25.8Very low28.4Very low65 Ų65127.5 Ų127.567%0.6777%0.774SS**  cis164.4151.8-14.800000115
467V29.4Very low28.5Very low144 Ų144131.2 Ų131.287%0.87378%0.775SS**  trans72.8150.1159.6178.30000117
468E30.9Very low28.6Very low168 Ų168133 Ų13379%0.78577%0.771SS**  cis-177.6-176.4-31.7-90-127.698.400108
469P50.3Low28.7Very low90 Ų90135.1 Ų135.158%0.58477%0.773SS**  cis-134.1-172.3-47.337.2-19.1000115.6
470T25.4Very low28.7Very low143 Ų143135.1 Ų135.188%0.87778%0.775SS**  trans73.9133.3154.933.80000123.2
471G24.7Very low28.5Very low72 Ų72134.4 Ų134.474%0.74278%0.776SS**  trans148.358.714000000124.1
472L25.8Very low28.4Very low189 Ų189129.5 Ų129.599%0.9977%0.773SS**  trans51.4133.3139.9-158.777.6000123
473G24.1Very low29.1Very low75 Ų75128.9 Ų128.977%0.77378%0.781SS**  trans142.9129.9145.800000120.1
474N26.2Very low29.4Very low163 Ų163128.4 Ų128.487%0.87278%0.778SS**  trans-133.3174.3166.5-126.3-1.9000106.3
475P43.5Very low29.6Very low104 Ų104131.1 Ų131.168%0.67578%0.783SS**  cis-140.6-165.9-2.841.6-20.6000115.8
476S26.8Very low29.5Very low104 Ų104126 Ų12673%0.72777%0.772SS**  trans89.2134.6141.1-72.90000126.1
477E26.9Very low29.5Very low168 Ų168128.9 Ų128.979%0.78578%0.781SS**  trans90.2126.1138.1-77.4-173.1-176.800127.2
478L26Very low29.4Very low131 Ų131127.4 Ų127.469%0.68678%0.777SS**  trans73.399.1133.7-65172.5000126.4
479I26.8Very low29.8Very low148 Ų148124.9 Ų124.976%0.75978%0.775SS**  34.7144.1116-44.5174000122.2
480M25.3Very low28.8Very low183 Ų183127.1 Ų127.190%0.90179%0.787SS**  trans97150.9165.3-69.9-146.8-81.200117
481A25.6Very low29.1Very low96 Ų96125.6 Ų125.679%0.79378%0.782SS**  cis-141.5178.31600000115.3
482S27.1Very low29.2Very low100 Ų100128.5 Ų128.570%0.69979%0.786SS**  trans-113.5172.9173.3-1730000110.9
483P42.2Very low29.3Very low118 Ų118128.8 Ų128.877%0.76678%0.779SS**  -152.1140.2102.137.3-18.9000118.6
484L29.5Very low29.4Very low143 Ų143129.7 Ų129.775%0.74977%0.773SS**  13.7157.9121.8-57.6171.8000120.4
485Q33.2Very low29.6Very low174 Ų174131.8 Ų131.881%0.81378%0.775SS**  cis-166153.122.1-148.7159.45.400116.8
486G25.2Very low28.9Very low67 Ų67134.1 Ų134.169%0.69178%0.777SS**  trans84150.314600000118.8
487C24.7Very low29Very low127 Ų127135.2 Ų135.286%0.85878%0.781SS**  cis-162.2174.6-6.9-90.70000107.2
488S28Very low29.3Very low112 Ų112135 Ų13578%0.78379%0.785SS**  cis-155.21758.5-125.50000110
489P39Very low29.7Very low115 Ų115134 Ų13475%0.74779%0.789SS**  trans-102.7151.6-160.338.2-35.8000118
490V29.5Very low30.3Very low138 Ų138130.2 Ų130.284%0.83678%0.775SS**  trans-137.8138.3150.21790000107.5T492V490-T492 PolarHBondContact O-N 3.44Å
491S30.5Very low31.2Very low111 Ų111124.6 Ų124.678%0.77675%0.753SS**  trans-83.5103.3-173.355.60000113.1
492T27.7Very low32Very low133 Ų133130 Ų13082%0.81676%0.761SS**PPolyproline II helixtrans-90.5132.5167.8-59.60000110.1V490 S494V490-T492 PolarHBondContact O-N 3.44Å; T492-S494 PolarHBondContact O-N 3.14Å
493F28.7Very low33.4Very low195 Ų195126.5 Ų126.586%0.85574%0.742SS**PPolyproline II helixtrans-67.8123.3175-81.7-101.8000111
494S25.4Very low34.4Very low93 Ų93123.8 Ų123.865%0.6572%0.724SS**PPolyproline II helixtrans-89.7139.6164-173.50000109.7T492T492-S494 PolarHBondContact O-N 3.14Å
495F31Very low36.2Very low208 Ų208117.9 Ų117.991%0.91269%0.693SS**  trans-101.896.6162.6-99.2-83.3000108.1
496E27.2Very low38.5Very low153 Ų153113.3 Ų113.372%0.71567%0.673SS**  trans-104.4125.1178.6-163.5149.3-160.500108.7L498E496-L498 PolarHBondContact O-N 3.24Å
497P29.5Very low41.4Very low126 Ų126111.2 Ų111.282%0.81865%0.646SS**  trans-72.9102.1-177.227-30.2000109.5S499P497-S499 PolarHBondContact O-N 3.26Å
498L33.5Very low44.1Very low164 Ų164109.2 Ų109.286%0.85962%0.624SS**PPolyproline II helixtrans-58.5122.3-179.5-64.9175000110.8E496E496-L498 PolarHBondContact O-N 3.24Å
499S33.3Very low46.8Very low109 Ų109108.5 Ų108.576%0.76261%0.611SS**PPolyproline II helixtrans-56.1142.6165.749.20000110.8P497P497-S499 PolarHBondContact O-N 3.26Å
500S39.4Very low49.3Very low69 Ų69103.4 Ų103.448%0.48358%0.578SS.*PPolyproline II helixtrans-50.8133-174-50.70000112.7E502 N656S500-E502 PolarHBondContact O-N 2.9Å; S500-N656 PolarHBondContact OG-OD1 2.68Å
501P45.7Very low52.1Low65 Ų65101.9 Ų101.942%0.42256%0.557SS.*PPolyproline II helixtrans-69.7129.917629-34000110.6G503 I505 V540P501-G503 PolarHBondContact O-N 3.24Å; P501-I505 HydrophobicContact CG-CD1 4.17Å; P501-I505 HydrophobicContact CG-CG1 4.28Å; P501-V540 HydrophobicContact CB-CG2 4.16Å
502E41.8Very low55Low209 Ų20996.7 Ų96.798%0.97752%0.521SS*.SBendtrans-81.940.3-174.5-62.4173.2121.900112.8S500S500-E502 PolarHBondContact O-N 2.9Å
503G57Low57.7Low28 Ų2893.4 Ų93.429%0.28950%0.501SS..SBendtrans-147.7166.2-179.500000112.6P501 I505P501-G503 PolarHBondContact O-N 3.24Å; G503-I505 PolarHBondContact O-N 3.36Å
504P61.6Low60.4Low61 Ų6185.2 Ų85.240%0.39647%0.471SS..  trans-62.6125.8-175.425.5-33.8000111.6I506P504-I506 PolarHBondContact O-N 2.88Å
505I69.2Low63.3Low18 Ų1883.4 Ų83.49%0.09246%0.456CS..EExtended strand (participates in β ladder)trans-88.5104.8-175.4-57.2-179.2000109.1P501 G503 I507 T538 N645 L655P501-I505 HydrophobicContact CG-CD1 4.17Å; P501-I505 HydrophobicContact CG-CG1 4.28Å; G503-I505 PolarHBondContact O-N 3.36Å; I505-I507 HydrophobicContact CG2-CG1 4.36Å; I505-I507 PolarHBondContact O-N 3.24Å; I505-T538 HydrophobicContact CG2-CG2 3.61Å; I505-N645 PolarHBondContact N-OD1 3.41Å; I505-N645 VanDerWaalsContact N-OD1 3.13Å; I505-L655 HydrophobicContact CD1-CD1 4.46Å; I505-L655 HydrophobicContact CG2-CD1 4.27Å
506I80.3Confident65.8Low79 Ų7977.4 Ų77.441%0.40543%0.433SS..EExtended strand (participates in β ladder)trans-82.6106.7177.3-53.9176.2000108.6P504 Q508 T538 S539P504-I506 PolarHBondContact O-N 2.88Å; I506-Q508 HydrophobicContact CG2-CG 3.96Å; I506-T538 WeakPolarHBondContact O-CA 3.38Å; I506-S539 PolarHBondContact N-O 3.39Å; I506-S539 PolarHBondContact O-N 3.33Å; I506-S539 VanDerWaalsContact O-N 3.11Å
507I85.8Confident68.3Low22 Ų2273.5 Ų73.511%0.11342%0.42CS..EExtended strand (participates in β ladder)trans-83.8118.9178-59.7160.8000109.4I505 L510 Y536 T538 A644 L653 L655I505-I507 HydrophobicContact CG2-CG1 4.36Å; I505-I507 PolarHBondContact O-N 3.24Å; I507-L510 HydrophobicContact CG2-CD1 4.27Å; I507-Y536 HydrophobicContact CG2-CD2 3.92Å; I507-Y536 HydrophobicContact CG2-CG 4.33Å; I507-T538 HydrophobicContact CG1-CG2 4.21Å; I507-A644 HydrophobicContact CD1-CB 4.29Å; I507-L653 HydrophobicContact CD1-CD1 3.63Å; I507-L655 HydrophobicContact CD1-CD1 4.47Å
508Q82.7Confident70.7Confident85 Ų8568.6 Ų68.640%0.39739%0.39SS..EExtended strand (participates in β ladder)trans-120.5163.9-177.4-55.1-162.137.100111.8I506 L510 E537 S539I506-Q508 HydrophobicContact CG2-CG 3.96Å; Q508-L510 PolarHBondContact O-N 2.96Å; Q508-E537 PolarHBondContact N-O 3.23Å; Q508-E537 PolarHBondContact O-N 2.96Å; Q508-S539 PolarHBondContact NE2-OG 3Å
509N84.1Confident72.8Confident97 Ų9768 Ų6852%0.51938%0.38SS..EExtended strand (participates in β ladder)trans50.921.4170.6-67.7-28.3000116.9R511 E537N509-R511 PolarHBondContact O-N 2.96Å; N509-R511 PolarHBondContact O-NH1 3.09Å; N509-E537 HydrophobicContact CB-CB 4.41Å; N509-E537 VanDerWaalsContact CB-CD 3.48Å; N509-E537 HydrophobicContact CB-CG 4.44Å; N509-E537 WeakPolarHBondContact CB-OE1 3.47Å; N509-E537 WeakPolarHBondContact CB-OE2 3.28Å; N509-E537 PolarHBondContact ND2-OE2 2.92Å
510L90.8Very high74.9Confident9 Ų965 Ų655%0.04735%0.354CS..EExtended strand (participates in β ladder)trans-58.4126.6179.5-173.6151.3000111.2I507 Q508 I534 K535 L634 K635 L653I507-L510 HydrophobicContact CG2-CD1 4.27Å; Q508-L510 PolarHBondContact O-N 2.96Å; L510-I534 HydrophobicContact CD1-CG2 4.29Å; L510-I534 HydrophobicContact CD2-CG2 4.32Å; L510-I534 HydrophobicContact CG-CG2 4.04Å; L510-K535 CarbonylContact C-O 3.52Å; L510-K535 WeakPolarHBondContact CA-O 3.33Å; L510-L634 HydrophobicContact CD1-CB 4.2Å; L510-L634 HydrophobicContact CD1-CD1 4.48Å; L510-L634 HydrophobicContact CD2-CB 3.64Å; L510-L634 HydrophobicContact CD2-CD1 4.11Å; L510-K635 HydrophobicContact CD2-CG 4.32Å; L510-K635 WeakPolarHBondContact O-CE 3.26Å; L510-L653 HydrophobicContact CD1-CD2 4.19Å
511R89.5Confident76.1Confident105 Ų10568.4 Ų68.440%0.39636%0.362SS..EExtended strand (participates in β ladder)trans-154.1143.5-178.557.7-161.9-176.7-85.111.7111.8N509 T513 K535 E537 E631N509-R511 PolarHBondContact O-N 2.96Å; N509-R511 PolarHBondContact O-NH1 3.09Å; R511-T513 HydrophobicContact CG-CG2 3.97Å; R511-T513 PolarHBondContact O-N 3.41Å; R511-K535 PolarHBondContact N-O 3.22Å; R511-K535 PolarHBondContact O-N 3.4Å; R511-E537 IonicContact CZ-OE1 3.73Å; R511-E537 IonicContact NH1-OE1 3.5Å; R511-E537 PolarHBondContact NH1-OE1 3.33Å; R511-E537 IonicContact NH2-OE1 3.6Å; R511-E631 WeakPolarHBondContact CA-OE2 3.19Å
512I90.3Very high77Confident3 Ų373 Ų732%0.01537%0.371CS..EExtended strand (participates in β ladder)trans-91.398.5175.2-56.3-176.8000107.8G514 Y532 T533 I534 F583 K627 L630 E631I512-G514 VanDerWaalsContact C-N 3.32Å; I512-G514 PolarHBondContact O-N 3.36Å; I512-Y532 HydrophobicContact CG2-CD1 4.18Å; I512-T533 CarbonylContact C-O 3.55Å; I512-T533 WeakPolarHBondContact CA-O 3.26Å; I512-I534 HydrophobicContact CG1-CG1 4.18Å; I512-F583 HydrophobicContact CD1-CE1 4.25Å; I512-F583 HydrophobicContact CD1-CZ 4.18Å; I512-K627 HydrophobicContact CB-CG 3.94Å; I512-K627 HydrophobicContact CG2-CG 3.8Å; I512-K627 WeakPolarHBondContact O-CE 3.48Å; I512-L630 HydrophobicContact CD1-CB 3.66Å; I512-E631 HydrophobicContact CB-CB 4.49Å; I512-E631 HydrophobicContact CD1-CB 4.01Å; I512-E631 HydrophobicContact CG1-CB 3.96Å; I512-E631 HydrophobicContact CG1-CG 4.36Å; I512-E631 PolarHBondContact N-OE2 3.29Å
513T85.9Confident78.4Confident64 Ų6466.4 Ų66.439%0.39336%0.36SS..EExtended strand (participates in β ladder)trans-75.2-16.9-17055.20000115R511 T533 K535R511-T513 HydrophobicContact CG-CG2 3.97Å; R511-T513 PolarHBondContact O-N 3.41Å; T513-T533 PolarHBondContact N-O 3.31Å; T513-T533 PolarHBondContact OG1-O 3.19Å; T513-K535 HydrophobicContact CG2-CB 4.11Å; T513-K535 HydrophobicContact CG2-CD 3.79Å; T513-K535 HydrophobicContact CG2-CG 3.84Å; T513-K535 WeakPolarHBondContact OG1-CE 3.43Å
514G83.8Confident78Confident22 Ų2272.5 Ų72.523%0.22739%0.391CS..EExtended strand (participates in β ladder)trans174.9-172.4-17800000112.5I512 T533I512-G514 VanDerWaalsContact C-N 3.32Å; I512-G514 PolarHBondContact O-N 3.36Å; G514-T533 PolarHBondContact O-N 3.3Å
515T86Confident77.9Confident56 Ų5670.7 Ų70.734%0.34438%0.383SS..EExtended strand (participates in β ladder)trans-131.9146.317556.10000111.6T530 L531 Y532 I623T515-T530 HydrophobicContact CG2-CG2 3.95Å; T515-L531 CarbonylContact C-O 3.57Å; T515-L531 WeakPolarHBondContact CA-O 3.47Å; T515-L531 VanDerWaalsContact CB-O 3.27Å; T515-L531 WeakPolarHBondContact CB-O 3.39Å; T515-Y532 HydrophobicContact CG2-CD1 3.46Å; T515-Y532 VanDerWaalsContact CG2-CD1 3.46Å; T515-Y532 HydrophobicContact CG2-CE1 3.73Å; T515-Y532 HydrophobicContact CG2-CG 4.03Å; T515-I623 HydrophobicContact CG2-CG2 3.82Å
516I83.6Confident77.8Confident81 Ų8173 Ų7342%0.41540%0.402SS..EExtended strand (participates in β ladder)trans-118.8132.3179.4-57.9174.7000107.8L531I516-L531 HydrophobicContact CB-CB 4.34Å; I516-L531 PolarHBondContact N-O 2.84Å; I516-L531 PolarHBondContact O-N 3.48Å
517T80.9Confident77.4Confident72 Ų7274.6 Ų74.644%0.44241%0.407SS..EExtended strand (participates in β ladder)trans-92.9109173-53.50000109.2P528 Y529 M618T517-P528 HydrophobicContact CG2-CB 4.05Å; T517-Y529 WeakPolarHBondContact CA-O 3.34Å; T517-M618 HydrophobicContact CG2-SD 3.88Å; T517-M618 WeakPolarHBondContact OG1-CE 3.49Å
518A79.9Confident76.9Confident23 Ų2377.5 Ų77.519%0.1943%0.427CS..EExtended strand (participates in β ladder)trans-96.7173.1173.200000110.4P528 Y529 L531A518-P528 CarbonylContact O-C 3.48Å; A518-P528 VanDerWaalsContact O-CA 3.29Å; A518-P528 WeakPolarHBondContact O-CA 3.35Å; A518-Y529 HydrophobicContact CB-CD1 4.18Å; A518-Y529 HydrophobicContact CB-CE1 3.61Å; A518-Y529 HydrophobicContact CB-CE2 4.07Å; A518-Y529 PolarHBondContact N-O 3.02Å; A518-Y529 PolarHBondContact O-N 3.4Å; A518-L531 HydrophobicContact CB-CD1 3.96Å
519K77.6Confident76.8Confident150 Ų15076.5 Ų76.565%0.65242%0.42SS*.EExtended strand (participates in β ladder)trans-121.4137170.1-68.8-174.6174.8-169.70110H527K519-H527 CarbonylContact C-O 3.53Å; K519-H527 WeakPolarHBondContact CA-O 3.17Å
520E77.6Confident76.8Confident46 Ų4673.2 Ų73.222%0.21540%0.404CS..EExtended strand (participates in β ladder)trans-107.2129.2172.9-169.4178167.100107.5R522 H527 Y529 R579E520-R522 HydrophobicContact CG-CG 4.33Å; E520-R522 IonicContact OE1-CZ 3.44Å; E520-R522 IonicContact OE1-NE 2.68Å; E520-R522 PolarHBondContact OE1-NE 2.91Å; E520-R522 IonicContact OE1-NH2 3.94Å; E520-R522 PolarHBondContact OE1-NH2 2.88Å; E520-H527 PolarHBondContact N-O 2.84Å; E520-H527 PolarHBondContact O-N 3.15Å; E520-Y529 HydrophobicContact CB-CD1 3.74Å; E520-Y529 HydrophobicContact CB-CE1 3.72Å; E520-R579 IonicContact OE2-CZ 3.1Å; E520-R579 IonicContact OE2-NH1 3.78Å; E520-R579 PolarHBondContact OE2-NH1 2.94Å; E520-R579 IonicContact OE2-NH2 3.98Å; E520-R579 PolarHBondContact OE2-NH2 2.87Å
521H64.4Low76.7Confident141 Ų14174 Ų7465%0.65341%0.408SS*.EExtended strand (participates in β ladder)trans-88128.7172.4-155.310.4000108.3G523 G525H521-G523 PolarHBondContact CE1-O 3.04Å; H521-G523 PolarHBondContact ND1-O 3.37Å; H521-G525 WeakPolarHBondContact CA-O 3.36Å; H521-G525 PolarHBondContact ND1-O 2.62Å
522R64.7Low76.7Confident161 Ų16169.3 Ų69.361%0.60839%0.39SS*.EExtended strand (participates in β ladder)trans-139.1119.6172.9-73-170.3176.3-122.3-8.9108.6E520 T524 G525E520-R522 HydrophobicContact CG-CG 4.33Å; E520-R522 IonicContact OE1-CZ 3.44Å; E520-R522 IonicContact OE1-NE 2.68Å; E520-R522 PolarHBondContact OE1-NE 2.91Å; E520-R522 IonicContact OE1-NH2 3.94Å; E520-R522 PolarHBondContact OE1-NH2 2.88Å; R522-T524 PolarHBondContact O-N 3.47Å; R522-G525 PolarHBondContact N-O 2.94Å; R522-G525 PolarHBondContact O-N 3.44Å
523G71Confident76.7Confident72 Ų7269.8 Ų69.874%0.74239%0.393SS*.THydrogen-bonded Turntrans50.3-135.2-169.700000110.9H521 G525H521-G523 PolarHBondContact CE1-O 3.04Å; H521-G523 PolarHBondContact ND1-O 3.37Å; G523-G525 PolarHBondContact O-N 3.32Å
524T49Very low77.1Confident156 Ų15666.7 Ų66.796%0.95737%0.374SS*.THydrogen-bonded Turntrans-76.82.6-177.652.70000115.3R522R522-T524 PolarHBondContact O-N 3.47Å
525G58.4Low77.4Confident22 Ų2269.3 Ų69.323%0.22738%0.379CS..EExtended strand (participates in β ladder)trans-121.4147.1-171.800000115.4H521 R522 G523H521-G525 WeakPolarHBondContact CA-O 3.36Å; H521-G525 PolarHBondContact ND1-O 2.62Å; R522-G525 PolarHBondContact N-O 2.94Å; R522-G525 PolarHBondContact O-N 3.44Å; G523-G525 PolarHBondContact O-N 3.32Å
526S68Low77.6Confident68 Ų6866.8 Ų66.848%0.47636%0.363SS..EExtended strand (participates in β ladder)trans-103.4113.1169.481.40000110.7
527H71.4Confident77.9Confident111 Ų11163.8 Ų63.851%0.51435%0.348SS..EExtended strand (participates in β ladder)trans-101.8125.2-177.9-64.9-84.1000111.2K519 E520K519-H527 CarbonylContact C-O 3.53Å; K519-H527 WeakPolarHBondContact CA-O 3.17Å; E520-H527 PolarHBondContact N-O 2.84Å; E520-H527 PolarHBondContact O-N 3.15Å
528P76.5Confident78.1Confident83 Ų8361.1 Ų61.154%0.53933%0.332SS..EExtended strand (participates in β ladder)trans-72.6142.6175.830.3-33.7000111.4T517 A518T517-P528 HydrophobicContact CG2-CB 4.05Å; A518-P528 CarbonylContact O-C 3.48Å; A518-P528 VanDerWaalsContact O-CA 3.29Å; A518-P528 WeakPolarHBondContact O-CA 3.35Å
529Y79.8Confident78.1Confident65 Ų6560.1 Ų60.126%0.25532%0.323SS..EExtended strand (participates in β ladder)trans-144.5153.2174.973.3-85.2000112.2T517 A518 E520 L531 R579T517-Y529 WeakPolarHBondContact CA-O 3.34Å; A518-Y529 HydrophobicContact CB-CD1 4.18Å; A518-Y529 HydrophobicContact CB-CE1 3.61Å; A518-Y529 HydrophobicContact CB-CE2 4.07Å; A518-Y529 PolarHBondContact N-O 3.02Å; A518-Y529 PolarHBondContact O-N 3.4Å; E520-Y529 HydrophobicContact CB-CD1 3.74Å; E520-Y529 HydrophobicContact CB-CE1 3.72Å; Y529-L531 HydrophobicContact CD2-CG 4.41Å; Y529-L531 HydrophobicContact CE2-CD1 4.35Å; Y529-L531 HydrophobicContact CE2-CD2 3.83Å; Y529-L531 HydrophobicContact CE2-CG 3.81Å; Y529-R579 HydrophobicContact CD2-CB 4.03Å; Y529-R579 HydrophobicContact CE2-CB 4.25Å
530T84.9Confident77.8Confident28 Ų2855 Ų5517%0.17230%0.304CS..EExtended strand (participates in β ladder)trans-98.8122.1-175-44.30000111.9T515 R579 I623T515-T530 HydrophobicContact CG2-CG2 3.95Å; T530-R579 WeakPolarHBondContact O-CA 3.43Å; T530-I623 HydrophobicContact CG2-CG2 4.37Å
531L87.8Confident76.7Confident26 Ų2653.4 Ų53.414%0.13630%0.3CS..EExtended strand (participates in β ladder)trans-92.8145.3165.5-68.3165.1000109.6T515 I516 A518 Y529 N577 R579T515-L531 CarbonylContact C-O 3.57Å; T515-L531 WeakPolarHBondContact CA-O 3.47Å; T515-L531 VanDerWaalsContact CB-O 3.27Å; T515-L531 WeakPolarHBondContact CB-O 3.39Å; I516-L531 HydrophobicContact CB-CB 4.34Å; I516-L531 PolarHBondContact N-O 2.84Å; I516-L531 PolarHBondContact O-N 3.48Å; A518-L531 HydrophobicContact CB-CD1 3.96Å; Y529-L531 HydrophobicContact CD2-CG 4.41Å; Y529-L531 HydrophobicContact CE2-CD1 4.35Å; Y529-L531 HydrophobicContact CE2-CD2 3.83Å; Y529-L531 HydrophobicContact CE2-CG 3.81Å; L531-N577 HydrophobicContact CB-CB 4.34Å; L531-N577 HydrophobicContact CD1-CB 4.32Å; L531-N577 HydrophobicContact CD2-CB 4.45Å; L531-R579 HydrophobicContact CD2-CB 4.09Å
532Y90.3Very high75.8Confident6 Ų656.1 Ų56.12%0.02431%0.306CS..EExtended strand (participates in β ladder)trans-106.3126172.5-63.9-97.8000108.8I512 T515 I534 N577 R578 F583 I623 K627 L630I512-Y532 HydrophobicContact CG2-CD1 4.18Å; T515-Y532 HydrophobicContact CG2-CD1 3.46Å; T515-Y532 VanDerWaalsContact CG2-CD1 3.46Å; T515-Y532 HydrophobicContact CG2-CE1 3.73Å; T515-Y532 HydrophobicContact CG2-CG 4.03Å; Y532-I534 PolarHBondContact O-N 3.06Å; Y532-N577 WeakPolarHBondContact O-CA 3.49Å; Y532-R578 WeakPolarHBondContact CD2-O 3.37Å; Y532-R578 PolarHBondContact N-O 3.45Å; Y532-R578 PolarHBondContact O-N 3.39Å; Y532-F583 HydrophobicContact CD2-CE2 4.15Å; Y532-F583 HydrophobicContact CG-CE2 4.4Å; Y532-I623 HydrophobicContact CE1-CG2 4.28Å; Y532-K627 HydrophobicContact CD1-CB 4.26Å; Y532-K627 HydrophobicContact CE1-CB 4.11Å; Y532-L630 HydrophobicContact CD1-CD1 4.02Å; Y532-L630 HydrophobicContact CD2-CD1 4.01Å; Y532-L630 HydrophobicContact CE1-CD1 3.9Å; Y532-L630 HydrophobicContact CE2-CD1 3.91Å; Y532-L630 HydrophobicContact CG-CD1 4.09Å
533T90.3Very high74.8Confident12 Ų1256.8 Ų56.87%0.07432%0.316CS..EExtended strand (participates in β ladder)trans-90.397.5-177-53.50000110.4I512 T513 G514 M575 N577I512-T533 CarbonylContact C-O 3.55Å; I512-T533 WeakPolarHBondContact CA-O 3.26Å; T513-T533 PolarHBondContact N-O 3.31Å; T513-T533 PolarHBondContact OG1-O 3.19Å; G514-T533 PolarHBondContact O-N 3.3Å; T533-M575 HydrophobicContact CG2-CG 3.83Å; T533-M575 HydrophobicContact CG2-SD 3.75Å; T533-N577 WeakPolarHBondContact CA-OD1 3.14Å; T533-N577 VanDerWaalsContact CB-OD1 3.31Å; T533-N577 WeakPolarHBondContact CB-OD1 3.31Å; T533-N577 WeakPolarHBondContact CG2-OD1 3.44Å; T533-N577 PolarHBondContact OG1-OD1 2.93Å
534I92.9Very high73.2Confident0 Ų060.6 Ų60.60%032%0.319CS..EExtended strand (participates in β ladder)trans-81.7130176.2-52.5156.8000107.8L510 I512 Y532 Y536 M575 V576 R578 F583 L634 F652 L653L510-I534 HydrophobicContact CD1-CG2 4.29Å; L510-I534 HydrophobicContact CD2-CG2 4.32Å; L510-I534 HydrophobicContact CG-CG2 4.04Å; I512-I534 HydrophobicContact CG1-CG1 4.18Å; Y532-I534 PolarHBondContact O-N 3.06Å; I534-Y536 HydrophobicContact CG2-CD1 4.21Å; I534-M575 WeakPolarHBondContact O-CA 3.27Å; I534-V576 HydrophobicContact CB-CG1 3.96Å; I534-V576 HydrophobicContact CD1-CG1 4.03Å; I534-V576 PolarHBondContact N-O 2.85Å; I534-V576 PolarHBondContact O-N 2.99Å; I534-R578 HydrophobicContact CD1-CB 4.18Å; I534-R578 HydrophobicContact CD1-CG 3.92Å; I534-F583 HydrophobicContact CD1-CE1 4.25Å; I534-F583 HydrophobicContact CD1-CZ 3.88Å; I534-F583 HydrophobicContact CG1-CZ 4.27Å; I534-L634 HydrophobicContact CD1-CD1 3.66Å; I534-L634 HydrophobicContact CG1-CD1 4.02Å; I534-L634 HydrophobicContact CG2-CD1 4.21Å; I534-F652 HydrophobicContact CD1-CE1 3.72Å; I534-F652 HydrophobicContact CD1-CZ 4.01Å; I534-L653 HydrophobicContact CG2-CD2 4.48Å
535K90.7Very high72.5Confident76 Ų7661.8 Ų61.833%0.3332%0.319SS..EExtended strand (participates in β ladder)trans-119.8140.1165.6-59.2-166.6-167.5-173.70109.2L510 R511 T513 H574 M575L510-K535 CarbonylContact C-O 3.52Å; L510-K535 WeakPolarHBondContact CA-O 3.33Å; R511-K535 PolarHBondContact N-O 3.22Å; R511-K535 PolarHBondContact O-N 3.4Å; T513-K535 HydrophobicContact CG2-CB 4.11Å; T513-K535 HydrophobicContact CG2-CD 3.79Å; T513-K535 HydrophobicContact CG2-CG 3.84Å; T513-K535 WeakPolarHBondContact OG1-CE 3.43Å; K535-H574 WeakPolarHBondContact CA-O 3.28Å; K535-M575 HydrophobicContact CD-CE 4.21Å; K535-M575 HydrophobicContact CD-SD 4.37Å; K535-M575 VanDerWaalsContact CE-SD 3.58Å; K535-M575 HydrophobicContact CG-CB 4.26Å; K535-M575 HydrophobicContact CG-CG 3.96Å; K535-M575 HydrophobicContact CG-SD 4.38Å
536Y90.8Very high71.2Confident3 Ų369 Ų691%0.01235%0.347CS..EExtended strand (participates in β ladder)trans-152.8166.9178.865.2-86.8000110I507 I534 T538 H574 V576 L653 L655I507-Y536 HydrophobicContact CG2-CD2 3.92Å; I507-Y536 HydrophobicContact CG2-CG 4.33Å; I534-Y536 HydrophobicContact CG2-CD1 4.21Å; Y536-T538 HydrophobicContact CD2-CG2 4.01Å; Y536-T538 HydrophobicContact CE2-CG2 3.82Å; Y536-H574 HydrophobicContact CD1-CB 3.98Å; Y536-H574 HydrophobicContact CD2-CB 3.95Å; Y536-H574 AromaticContact CD2-CD2 3.92Å; Y536-H574 HydrophobicContact CE1-CB 3.51Å; Y536-H574 HydrophobicContact CE2-CB 3.49Å; Y536-H574 VanDerWaalsContact CE2-CB 3.49Å; Y536-H574 AromaticContact CE2-CD2 3.41Å; Y536-H574 VanDerWaalsContact CE2-CD2 3.41Å; Y536-H574 WeakPolarHBondContact CE2-CD2 3.42Å; Y536-H574 AromaticContact CE2-CG 3.54Å; Y536-H574 HydrophobicContact CG-CB 4.17Å; Y536-H574 AromaticContact CZ-CD2 3.99Å; Y536-H574 AromaticContact CZ-CG 3.61Å; Y536-H574 PolarHBondContact N-O 3.31Å; Y536-H574 VanDerWaalsContact N-O 3.17Å; Y536-H574 PolarHBondContact O-N 2.84Å; Y536-V576 HydrophobicContact CE1-CG1 4.28Å; Y536-L653 HydrophobicContact CD1-CD2 4.14Å; Y536-L653 HydrophobicContact CE1-CB 3.95Å; Y536-L653 HydrophobicContact CE1-CD2 3.93Å; Y536-L653 HydrophobicContact CE1-CG 4.35Å; Y536-L653 HydrophobicContact CE2-CD1 4.49Å; Y536-L653 PolarHBondContact OH-O 3.11Å; Y536-L655 HydrophobicContact CE2-CD2 3.93Å; Y536-L655 HydrophobicContact CE2-CG 4.3Å; Y536-L655 WeakPolarHBondContact OH-CD2 3.48Å; Y536-L655 WeakPolarHBondContact OH-CG 3.38Å
537E88.6Confident69.5Low18 Ų1870.9 Ų70.98%0.08436%0.36CS..EExtended strand (participates in β ladder)trans-122.5149-177.9-74.2144.5-125.400108.8Q508 N509 R511 V571 A572 Y573Q508-E537 PolarHBondContact N-O 3.23Å; Q508-E537 PolarHBondContact O-N 2.96Å; N509-E537 HydrophobicContact CB-CB 4.41Å; N509-E537 VanDerWaalsContact CB-CD 3.48Å; N509-E537 HydrophobicContact CB-CG 4.44Å; N509-E537 WeakPolarHBondContact CB-OE1 3.47Å; N509-E537 WeakPolarHBondContact CB-OE2 3.28Å; N509-E537 PolarHBondContact ND2-OE2 2.92Å; R511-E537 IonicContact CZ-OE1 3.73Å; R511-E537 IonicContact NH1-OE1 3.5Å; R511-E537 PolarHBondContact NH1-OE1 3.33Å; R511-E537 IonicContact NH2-OE1 3.6Å; E537-V571 HydrophobicContact CB-CG1 3.85Å; E537-V571 HydrophobicContact CG-CG1 4.13Å; E537-A572 CarbonylContact C-O 3.55Å; E537-A572 VanDerWaalsContact CA-O 3.29Å; E537-A572 WeakPolarHBondContact CA-O 3.48Å; E537-Y573 HydrophobicContact CG-CD1 3.41Å; E537-Y573 VanDerWaalsContact CG-CD1 3.41Å; E537-Y573 HydrophobicContact CG-CE1 3.58Å; E537-Y573 HydrophobicContact CG-CG 4.2Å
538T84.9Confident67.8Low17 Ų1774 Ų7410%0.10438%0.379CS..EExtended strand (participates in β ladder)trans-131132.5175.956.50000112I505 I506 I507 Y536 V571 A572 H574 L655I505-T538 HydrophobicContact CG2-CG2 3.61Å; I506-T538 WeakPolarHBondContact O-CA 3.38Å; I507-T538 HydrophobicContact CG1-CG2 4.21Å; Y536-T538 HydrophobicContact CD2-CG2 4.01Å; Y536-T538 HydrophobicContact CE2-CG2 3.82Å; T538-V571 WeakPolarHBondContact O-CA 3.49Å; T538-A572 PolarHBondContact N-O 2.89Å; T538-A572 PolarHBondContact O-N 3.01Å; T538-H574 PolarHBondContact OG1-NE2 2.86Å; T538-L655 HydrophobicContact CG2-CD2 4.04Å
539S80.6Confident65.5Low2 Ų278.9 Ų78.91%0.01439%0.394CS..EExtended strand (participates in β ladder)trans-117.9138.9172.357.30000110.3I506 Q508I506-S539 PolarHBondContact N-O 3.39Å; I506-S539 PolarHBondContact O-N 3.33Å; I506-S539 VanDerWaalsContact O-N 3.11Å; Q508-S539 PolarHBondContact NE2-OG 3Å
540V70.6Confident63.1Low42 Ų4285 Ų8526%0.25543%0.425SS..EExtended strand (participates in β ladder)trans-77.4124.3172.2-177.20000109.5P501 Y542 Q569P501-V540 HydrophobicContact CB-CG2 4.16Å; V540-Y542 HydrophobicContact CG1-CE2 4.44Å; V540-Q569 PolarHBondContact O-NE2 2.71Å
541G55.6Low60.4Low13 Ų1387.2 Ų87.213%0.13445%0.454CS..  trans-84.5117.4172.500000111.4
542Y45.8Very low57.6Low197 Ų19791.6 Ų91.677%0.77349%0.486SS*.  trans-92.7102.4164.7-74.1-83.6000108.6V540V540-Y542 HydrophobicContact CG1-CE2 4.44Å
543E43.1Very low54.7Low176 Ų17699.7 Ų99.782%0.82252%0.524SS*.  trans-91.8115.5167.3-67.8-170166.800108.9L545E543-L545 PolarHBondContact O-N 3.11Å
544N38Very low52Low151 Ų151106 Ų10681%0.80756%0.557SS**  trans-73.7112.2176.1-70.4-16.6000109.2E546N544-E546 PolarHBondContact O-N 3.02Å
545L33.3Very low49Very low181 Ų181112.6 Ų112.695%0.94859%0.591SS**  trans-85.384.4-179.8-173.168.6000111.3E543E543-L545 PolarHBondContact O-N 3.11Å
546E31.5Very low46.1Very low174 Ų174117.6 Ų117.681%0.81362%0.615SS**  trans-109.8132.4165-75.2-164.3135.400112N544N544-E546 PolarHBondContact O-N 3.02Å
547S32.7Very low43.4Very low107 Ų107122.4 Ų122.475%0.74865%0.649SS**  trans48.4104.3158.657.90000120.4
548I34.3Very low40.5Very low178 Ų178128.6 Ų128.691%0.91368%0.681SS**  -128.6102.3114.7-57.3-176.8000109
549Q28.9Very low38Very low185 Ų185135.2 Ų135.286%0.86471%0.711SS**  trans-141.5143.9149.3-171.8163.3900107.9
550E30.6Very low35.6Very low193 Ų193142.4 Ų142.490%0.90275%0.748SS**  trans-78.4134.7-169.4-58.2169.4116.900112.4
551G27Very low33.5Very low75 Ų75143.9 Ų143.977%0.77377%0.772SS**  trans151.8129.7159.700000117.9
552S29Very low32.3Very low117 Ų117148.5 Ų148.582%0.81880%0.802SS**  trans75.192.1154.7-158.20000120.9
553E30.3Very low31.8Very low176 Ų176147.9 Ų147.982%0.82281%0.806SS**  trans23.9152.3131.4-49-171.1144.400124.3
554L32.3Very low31.7Very low146 Ų146145.6 Ų145.676%0.76480%0.8SS**  trans97.785.3157.9-59.8174.6000121.3
555I29.9Very low31.8Very low137 Ų137144.1 Ų144.170%0.70380%0.798SS**  53.6130.5110.9-62.3175.7000121.4
556E31.2Very low32.2Very low181 Ų181141.2 Ų141.285%0.84678%0.784SS**  trans65.9147.6164.2-73.7164.7167.800117.3
557S32.5Very low32.6Very low104 Ų104138.8 Ų138.873%0.72778%0.783SS**  cis-15115112.721.70000110.4
558I29.2Very low33.4Very low148 Ų148141.6 Ų141.676%0.75979%0.788SS**  47.7124.488.7-68.2172.3000113.2
559E31Very low34.5Very low156 Ų156137.7 Ų137.773%0.72977%0.766SS**  cis-163.8160.91.6-116.3-176.9148.500112.7
560I30.8Very low36.1Very low153 Ų153133.3 Ų133.379%0.78575%0.753SS**  trans47.1128.3146.4-60.7163.8000121.6
561G26.1Very low38Very low73 Ų73127.3 Ų127.375%0.75373%0.73SS**  trans176.195.9156.700000120
562S31.9Very low40.6Very low111 Ų111125.9 Ų125.978%0.77671%0.711SS**  trans57.596.8148.9-164.50000122.6
563E33.7Very low43.1Very low184 Ų184128.8 Ų128.886%0.8671%0.705SS**  trans32.697130.5-56.7-172.4151.700121.3
564N41.4Very low45.7Very low127 Ų127122.9 Ų122.968%0.67968%0.677SS**  38.2138.7125.4-103.618.8000122.4N566N564-N566 PolarHBondContact ND2-OD1 2.93Å; N564-N566 PolarHBondContact OD1-OD1 3.44Å
565P39.5Very low48.2Very low121 Ų121120.7 Ų120.779%0.78667%0.665SS**  -125.8151.275.238-32.8000115.6
566N42.8Very low51.1Low119 Ų119114.2 Ų114.264%0.63663%0.632SS**  trans-59.2131.6175.3-65.1-10.4000111.5N564 I568N564-N566 PolarHBondContact ND2-OD1 2.93Å; N564-N566 PolarHBondContact OD1-OD1 3.44Å; N566-I568 PolarHBondContact O-N 3.06Å
567P40.2Very low53.9Low124 Ų124108.1 Ų108.181%0.80561%0.605SS**  trans-66.8129.4166.928.2-32.7000109.9Q569P567-Q569 PolarHBondContact O-N 2.92Å
568I49.1Very low56.6Low166 Ų166103.4 Ų103.485%0.85157%0.571SS**  trans-71.8112.2178.5-61.7172.7000108.5N566N566-I568 PolarHBondContact O-N 3.06Å
569Q57.3Low59.3Low96 Ų9699.6 Ų99.645%0.44955%0.547SS..  trans-64.5132.4176.7-159.6172.814.500109.8V540 P567 V571V540-Q569 PolarHBondContact O-NE2 2.71Å; P567-Q569 PolarHBondContact O-N 2.92Å; Q569-V571 PolarHBondContact O-N 3.41Å
570P62.6Low61.9Low92 Ų9294.5 Ų94.560%0.59752%0.521SS*.  trans-69.1116.2-178.926.3-33000110.5
571V71.2Confident64.4Low67 Ų6789.4 Ų89.441%0.40650%0.499SS..EExtended strand (participates in β ladder)trans-108.2116.9176.5177.40000109.5E537 T538 Q569 Y573E537-V571 HydrophobicContact CB-CG1 3.85Å; E537-V571 HydrophobicContact CG-CG1 4.13Å; T538-V571 WeakPolarHBondContact O-CA 3.49Å; Q569-V571 PolarHBondContact O-N 3.41Å; V571-Y573 HydrophobicContact CG1-CE2 4.41Å
572A80.6Confident67.2Low46 Ų4686.2 Ų86.238%0.3847%0.465SS..EExtended strand (participates in β ladder)trans-93138.2172.400000110.8E537 T538E537-A572 CarbonylContact C-O 3.55Å; E537-A572 VanDerWaalsContact CA-O 3.29Å; E537-A572 WeakPolarHBondContact CA-O 3.48Å; T538-A572 PolarHBondContact N-O 2.89Å; T538-A572 PolarHBondContact O-N 3.01Å
573Y82.2Confident69.9Low177 Ų17781 Ų8169%0.69443%0.428SS*.EExtended strand (participates in β ladder)trans-103.2126.6-179.6-66.3-94000110.6E537 V571E537-Y573 HydrophobicContact CG-CD1 3.41Å; E537-Y573 VanDerWaalsContact CG-CD1 3.41Å; E537-Y573 HydrophobicContact CG-CE1 3.58Å; E537-Y573 HydrophobicContact CG-CG 4.2Å; V571-Y573 HydrophobicContact CG1-CE2 4.41Å
574H84.7Confident72.4Confident52 Ų5273.9 Ų73.924%0.24140%0.396CS..EExtended strand (participates in β ladder)trans-120.8152.2-174.6-60.3-84.1000112.3K535 Y536 T538K535-H574 WeakPolarHBondContact CA-O 3.28Å; Y536-H574 HydrophobicContact CD1-CB 3.98Å; Y536-H574 HydrophobicContact CD2-CB 3.95Å; Y536-H574 AromaticContact CD2-CD2 3.92Å; Y536-H574 HydrophobicContact CE1-CB 3.51Å; Y536-H574 HydrophobicContact CE2-CB 3.49Å; Y536-H574 VanDerWaalsContact CE2-CB 3.49Å; Y536-H574 AromaticContact CE2-CD2 3.41Å; Y536-H574 VanDerWaalsContact CE2-CD2 3.41Å; Y536-H574 WeakPolarHBondContact CE2-CD2 3.42Å; Y536-H574 AromaticContact CE2-CG 3.54Å; Y536-H574 HydrophobicContact CG-CB 4.17Å; Y536-H574 AromaticContact CZ-CD2 3.99Å; Y536-H574 AromaticContact CZ-CG 3.61Å; Y536-H574 PolarHBondContact N-O 3.31Å; Y536-H574 VanDerWaalsContact N-O 3.17Å; Y536-H574 PolarHBondContact O-N 2.84Å; T538-H574 PolarHBondContact OG1-NE2 2.86Å
575M85.4Confident74.5Confident101 Ų10169.6 Ų69.650%0.49837%0.373SS..EExtended strand (participates in β ladder)trans-145.8127.4175.3-175.9176.5-1200110.8T533 I534 K535T533-M575 HydrophobicContact CG2-CG 3.83Å; T533-M575 HydrophobicContact CG2-SD 3.75Å; I534-M575 WeakPolarHBondContact O-CA 3.27Å; K535-M575 HydrophobicContact CD-CE 4.21Å; K535-M575 HydrophobicContact CD-SD 4.37Å; K535-M575 VanDerWaalsContact CE-SD 3.58Å; K535-M575 HydrophobicContact CG-CB 4.26Å; K535-M575 HydrophobicContact CG-CG 3.96Å; K535-M575 HydrophobicContact CG-SD 4.38Å
576V89.8Confident76.8Confident1 Ų163.8 Ų63.81%0.00634%0.336CS..EExtended strand (participates in β ladder)trans-138.6143.8-180660000110.4I534 Y536 R578 A654 A659I534-V576 HydrophobicContact CB-CG1 3.96Å; I534-V576 HydrophobicContact CD1-CG1 4.03Å; I534-V576 PolarHBondContact N-O 2.85Å; I534-V576 PolarHBondContact O-N 2.99Å; Y536-V576 HydrophobicContact CE1-CG1 4.28Å; V576-R578 HydrophobicContact CG2-CG 4.31Å; V576-A654 HydrophobicContact CG2-CB 3.99Å; V576-A659 HydrophobicContact CG2-CB 4.3Å
577N89.6Confident79Confident53 Ų5359.7 Ų59.728%0.28331%0.313SS..EExtended strand (participates in β ladder)trans-109.8123.6-178.8-70.3-64.4000109.8L531 Y532 T533L531-N577 HydrophobicContact CB-CB 4.34Å; L531-N577 HydrophobicContact CD1-CB 4.32Å; L531-N577 HydrophobicContact CD2-CB 4.45Å; Y532-N577 WeakPolarHBondContact O-CA 3.49Å; T533-N577 WeakPolarHBondContact CA-OD1 3.14Å; T533-N577 VanDerWaalsContact CB-OD1 3.31Å; T533-N577 WeakPolarHBondContact CB-OD1 3.31Å; T533-N577 WeakPolarHBondContact CG2-OD1 3.44Å; T533-N577 PolarHBondContact OG1-OD1 2.93Å
578R89.4Confident81Confident4 Ų455.9 Ų55.92%0.01529%0.287CS..EExtended strand (participates in β ladder)trans-132.3131.7-176.1-63.6-67.1178.7-146.3-3.3112.3Y532 I534 V576 E582 F583 F652 I661Y532-R578 WeakPolarHBondContact CD2-O 3.37Å; Y532-R578 PolarHBondContact N-O 3.45Å; Y532-R578 PolarHBondContact O-N 3.39Å; I534-R578 HydrophobicContact CD1-CB 4.18Å; I534-R578 HydrophobicContact CD1-CG 3.92Å; V576-R578 HydrophobicContact CG2-CG 4.31Å; R578-E582 WeakPolarHBondContact CA-OE2 3.23Å; R578-E582 HydrophobicContact CB-CB 4.35Å; R578-E582 VanDerWaalsContact CD-CD 3.41Å; R578-E582 WeakPolarHBondContact CD-OE1 3.43Å; R578-E582 IonicContact CZ-OE1 3.86Å; R578-E582 IonicContact NE-OE1 3.35Å; R578-E582 IonicContact NH1-OE1 2.64Å; R578-E582 PolarHBondContact NH1-OE1 3.43Å; R578-F583 HydrophobicContact CB-CD2 4.25Å; R578-F583 HydrophobicContact CB-CE2 3.65Å; R578-F583 HydrophobicContact CB-CZ 4.22Å; R578-F652 HydrophobicContact CB-CE2 4.09Å; R578-F652 HydrophobicContact CB-CZ 3.94Å; R578-F652 HydrophobicContact CG-CD2 4.4Å; R578-F652 HydrophobicContact CG-CE1 4.21Å; R578-F652 HydrophobicContact CG-CE2 3.77Å; R578-F652 HydrophobicContact CG-CZ 3.67Å; R578-F652 VanDerWaalsContact CZ-O 3.3Å; R578-F652 PolarHBondContact NE-O 3.35Å; R578-F652 PolarHBondContact NH2-O 3.31Å; R578-I661 PolarHBondContact NH1-O 3.41Å
579R86.8Confident82.8Confident68 Ų6848.6 Ų48.626%0.25725%0.249SC..EExtended strand (participates in β ladder)trans-80.6156.4173.163-169.2-88.8160.7-10.3110.7E520 Y529 T530 L531 S581 E582 F583E520-R579 IonicContact OE2-CZ 3.1Å; E520-R579 IonicContact OE2-NH1 3.78Å; E520-R579 PolarHBondContact OE2-NH1 2.94Å; E520-R579 IonicContact OE2-NH2 3.98Å; E520-R579 PolarHBondContact OE2-NH2 2.87Å; Y529-R579 HydrophobicContact CD2-CB 4.03Å; Y529-R579 HydrophobicContact CE2-CB 4.25Å; T530-R579 WeakPolarHBondContact O-CA 3.43Å; L531-R579 HydrophobicContact CD2-CB 4.09Å; R579-S581 WeakPolarHBondContact CG-OG 3.29Å; R579-S581 PolarHBondContact NE-OG 2.87Å; R579-S581 PolarHBondContact O-N 3.33Å; R579-E582 HydrophobicContact CG-CG 3.93Å; R579-E582 WeakPolarHBondContact CG-OE2 3.49Å; R579-E582 PolarHBondContact N-OE2 2.99Å; R579-E582 WeakPolarHBondContact O-CB 3.47Å; R579-E582 PolarHBondContact O-N 3.27Å; R579-F583 WeakPolarHBondContact O-CD2 3.36Å
580Y84.8Confident84.2Confident49 Ų4944.1 Ų44.119%0.19223%0.228CC..Hα-helixtrans-49.9-37.8-175.4-174.2-95000114.3E582 F583 L584 P606 K607 F610 L630Y580-E582 VanDerWaalsContact C-N 3.31Å; Y580-E582 PolarHBondContact O-N 3.42Å; Y580-F583 PolarHBondContact O-N 2.94Å; Y580-L584 PolarHBondContact O-N 3.5Å; Y580-P606 HydrophobicContact CE1-CB 4.44Å; Y580-P606 HydrophobicContact CE2-CB 4.01Å; Y580-P606 WeakPolarHBondContact OH-CB 3.34Å; Y580-K607 PolarHBondContact OH-N 3.29Å; Y580-K607 PolarHBondContact OH-O 3.44Å; Y580-F610 WeakPolarHBondContact OH-CE2 3.39Å; Y580-L630 HydrophobicContact CD2-CD1 4.1Å; Y580-L630 HydrophobicContact CD2-CD2 4.27Å; Y580-L630 HydrophobicContact CE2-CD2 4.08Å
581S82.8Confident85.3Confident46 Ų4644 Ų4432%0.32222%0.219SC..Hα-helixtrans-67.1-25.6178.455.60000114.1R579 L584 N585R579-S581 WeakPolarHBondContact CG-OG 3.29Å; R579-S581 PolarHBondContact NE-OG 2.87Å; R579-S581 PolarHBondContact O-N 3.33Å; S581-L584 PolarHBondContact O-N 2.93Å; S581-N585 PolarHBondContact O-N 2.83Å; S581-N585 PolarHBondContact O-ND2 2.92Å; S581-N585 PolarHBondContact O-OD1 2.9Å
582E86.3Confident85.7Confident7 Ų744.1 Ų44.13%0.03322%0.215CC..Hα-helixtrans-70-37.3174.9-68.7173.896.100111.4R578 R579 Y580 L584 N585 L586 F652 F663R578-E582 WeakPolarHBondContact CA-OE2 3.23Å; R578-E582 HydrophobicContact CB-CB 4.35Å; R578-E582 VanDerWaalsContact CD-CD 3.41Å; R578-E582 WeakPolarHBondContact CD-OE1 3.43Å; R578-E582 IonicContact CZ-OE1 3.86Å; R578-E582 IonicContact NE-OE1 3.35Å; R578-E582 IonicContact NH1-OE1 2.64Å; R578-E582 PolarHBondContact NH1-OE1 3.43Å; R579-E582 HydrophobicContact CG-CG 3.93Å; R579-E582 WeakPolarHBondContact CG-OE2 3.49Å; R579-E582 PolarHBondContact N-OE2 2.99Å; R579-E582 WeakPolarHBondContact O-CB 3.47Å; R579-E582 PolarHBondContact O-N 3.27Å; Y580-E582 VanDerWaalsContact C-N 3.31Å; Y580-E582 PolarHBondContact O-N 3.42Å; E582-L584 VanDerWaalsContact C-N 3.32Å; E582-L584 PolarHBondContact O-N 3.39Å; E582-N585 WeakPolarHBondContact O-CB 3.41Å; E582-N585 PolarHBondContact O-N 2.98Å; E582-L586 PolarHBondContact O-N 3.47Å; E582-F652 HydrophobicContact CB-CE2 4.01Å; E582-F663 HydrophobicContact CB-CB 4.14Å; E582-F663 HydrophobicContact CG-CB 4.03Å; E582-F663 WeakPolarHBondContact OE1-CB 3.45Å; E582-F663 PolarHBondContact OE1-N 2.93Å
583F88.9Confident85.7Confident0 Ų045.7 Ų45.70%021%0.214CC..Hα-helixtrans-65.1-37173.2-65.4-105.9000111.6I512 Y532 I534 R578 R579 Y580 L586 Q587 P606 L630 F633 L634 F652I512-F583 HydrophobicContact CD1-CE1 4.25Å; I512-F583 HydrophobicContact CD1-CZ 4.18Å; Y532-F583 HydrophobicContact CD2-CE2 4.15Å; Y532-F583 HydrophobicContact CG-CE2 4.4Å; I534-F583 HydrophobicContact CD1-CE1 4.25Å; I534-F583 HydrophobicContact CD1-CZ 3.88Å; I534-F583 HydrophobicContact CG1-CZ 4.27Å; R578-F583 HydrophobicContact CB-CD2 4.25Å; R578-F583 HydrophobicContact CB-CE2 3.65Å; R578-F583 HydrophobicContact CB-CZ 4.22Å; R579-F583 WeakPolarHBondContact O-CD2 3.36Å; Y580-F583 PolarHBondContact O-N 2.94Å; F583-L586 PolarHBondContact O-N 3.42Å; F583-Q587 PolarHBondContact O-N 3.17Å; F583-P606 HydrophobicContact CB-CG 4.14Å; F583-L630 HydrophobicContact CB-CD2 3.96Å; F583-L630 HydrophobicContact CD1-CB 4.17Å; F583-L630 HydrophobicContact CD1-CD1 4.35Å; F583-L630 HydrophobicContact CD1-CD2 3.75Å; F583-L630 HydrophobicContact CD1-CG 4.3Å; F583-L630 HydrophobicContact CD2-CD1 4.16Å; F583-L630 HydrophobicContact CD2-CD2 4.43Å; F583-L630 HydrophobicContact CE1-CB 3.84Å; F583-L630 HydrophobicContact CE1-CD1 4.16Å; F583-L630 HydrophobicContact CE1-CD2 4.26Å; F583-L630 HydrophobicContact CE1-CG 4.31Å; F583-L630 HydrophobicContact CE2-CD1 4Å; F583-L630 HydrophobicContact CG-CD1 4.33Å; F583-L630 HydrophobicContact CG-CD2 3.83Å; F583-L630 HydrophobicContact CZ-CB 4.34Å; F583-L630 HydrophobicContact CZ-CD1 4Å; F583-F633 HydrophobicContact CD1-CD1 4.5Å; F583-L634 HydrophobicContact CD1-CD1 4.4Å; F583-L634 HydrophobicContact CD1-CD2 4.27Å; F583-L634 HydrophobicContact CD1-CG 4.27Å; F583-L634 HydrophobicContact CE1-CD1 3.63Å; F583-L634 HydrophobicContact CE1-CD2 4.31Å; F583-L634 HydrophobicContact CE1-CG 3.93Å; F583-L634 HydrophobicContact CZ-CD1 4.44Å; F583-F652 AromaticContact CD1-CZ 3.77Å; F583-F652 HydrophobicContact CD1-CZ 3.77Å; F583-F652 HydrophobicContact CD2-CE2 4.48Å; F583-F652 HydrophobicContact CD2-CZ 4.15Å; F583-F652 HydrophobicContact CE1-CE1 4.47Å; F583-F652 AromaticContact CE1-CZ 3.9Å; F583-F652 HydrophobicContact CE1-CZ 3.9Å; F583-F652 HydrophobicContact CE2-CZ 4.23Å; F583-F652 HydrophobicContact CG-CE2 4.32Å; F583-F652 AromaticContact CG-CZ 3.92Å; F583-F652 HydrophobicContact CG-CZ 3.92Å; F583-F652 HydrophobicContact CZ-CZ 4.12Å
584L84.9Confident85.5Confident36 Ų3640.9 Ų40.919%0.18821%0.206CC..Hα-helixtrans-68.7-37.6174.1-172.667.5000111.6Y580 S581 E582 T588 P606 K608Y580-L584 PolarHBondContact O-N 3.5Å; S581-L584 PolarHBondContact O-N 2.93Å; E582-L584 VanDerWaalsContact C-N 3.32Å; E582-L584 PolarHBondContact O-N 3.39Å; L584-T588 WeakPolarHBondContact O-CB 3.43Å; L584-T588 PolarHBondContact O-N 2.97Å; L584-T588 PolarHBondContact O-OG1 3.43Å; L584-P606 WeakPolarHBondContact CD1-O 3.46Å; L584-K608 HydrophobicContact CD2-CB 4Å; L584-K608 HydrophobicContact CD2-CG 4.05Å
585N85.8Confident85.4Confident36 Ų3643.3 Ų43.319%0.19322%0.217CC..Hα-helixtrans-62.4-41.4171.7-68.9-16.1000111.4S581 E582 T588 R589 F663 K665S581-N585 PolarHBondContact O-N 2.83Å; S581-N585 PolarHBondContact O-ND2 2.92Å; S581-N585 PolarHBondContact O-OD1 2.9Å; E582-N585 WeakPolarHBondContact O-CB 3.41Å; E582-N585 PolarHBondContact O-N 2.98Å; N585-T588 PolarHBondContact O-N 3.41Å; N585-R589 PolarHBondContact O-N 3.16Å; N585-F663 HydrophobicContact CB-CD1 3.99Å; N585-F663 HydrophobicContact CB-CE1 4.04Å; N585-F663 PolarHBondContact ND2-O 2.64Å; N585-K665 PolarHBondContact ND2-N 3.39Å
586L88.7Confident85.3Confident0 Ų039.4 Ų39.40%020%0.199CC..Hα-helixtrans-61.2-52.9177.5174.464.5000110.8E582 F583 T588 R589 L590 F633 L634 L637 E648 M649 F652 F663E582-L586 PolarHBondContact O-N 3.47Å; F583-L586 PolarHBondContact O-N 3.42Å; L586-T588 VanDerWaalsContact C-N 3.27Å; L586-T588 PolarHBondContact O-N 3.1Å; L586-R589 PolarHBondContact O-N 2.86Å; L586-L590 HydrophobicContact CD1-CD1 3.88Å; L586-L590 HydrophobicContact CD1-CG 4.15Å; L586-L590 HydrophobicContact CG-CD1 4Å; L586-L590 WeakPolarHBondContact O-CG 3.37Å; L586-L590 PolarHBondContact O-N 3.47Å; L586-F633 HydrophobicContact CD2-CE1 4.39Å; L586-L634 HydrophobicContact CD2-CD2 3.96Å; L586-L637 HydrophobicContact CD2-CD1 3.9Å; L586-L637 HydrophobicContact CG-CD1 4.38Å; L586-E648 HydrophobicContact CD1-CB 4.02Å; L586-M649 HydrophobicContact CD1-SD 4.42Å; L586-M649 HydrophobicContact CD2-SD 3.93Å; L586-F652 HydrophobicContact CB-CD2 4.02Å; L586-F652 HydrophobicContact CB-CE2 4.36Å; L586-F652 HydrophobicContact CB-CG 4.45Å; L586-F652 HydrophobicContact CD1-CB 4.05Å; L586-F652 HydrophobicContact CD1-CG 4.38Å; L586-F652 HydrophobicContact CD2-CB 4.29Å; L586-F652 HydrophobicContact CD2-CD1 3.79Å; L586-F652 HydrophobicContact CD2-CD2 4.04Å; L586-F652 HydrophobicContact CD2-CE1 4.08Å; L586-F652 HydrophobicContact CD2-CE2 4.3Å; L586-F652 HydrophobicContact CD2-CG 3.77Å; L586-F652 HydrophobicContact CD2-CZ 4.32Å; L586-F652 HydrophobicContact CG-CD2 4.47Å; L586-F652 HydrophobicContact CG-CG 4.42Å; L586-F663 HydrophobicContact CB-CE1 3.93Å; L586-F663 HydrophobicContact CB-CZ 4.45Å; L586-F663 HydrophobicContact CD1-CE1 4.48Å; L586-F663 HydrophobicContact CD1-CZ 4.16Å
587Q87.9Confident85Confident33 Ų3347 Ų4715%0.15423%0.227CC..Hα-helixtrans-54.9-45.9174.7-175.7-180-12.700111.1F583 R589 L590 E591 G605 P606 F633F583-Q587 PolarHBondContact O-N 3.17Å; Q587-R589 PolarHBondContact O-N 2.77Å; Q587-L590 PolarHBondContact O-N 2.58Å; Q587-E591 HydrophobicContact CG-CG 4.36Å; Q587-E591 WeakPolarHBondContact CG-OE1 3.3Å; Q587-E591 PolarHBondContact NE2-OE1 3.26Å; Q587-E591 WeakPolarHBondContact O-CB 3.32Å; Q587-E591 WeakPolarHBondContact O-CG 3.31Å; Q587-E591 PolarHBondContact O-N 2.99Å; Q587-G605 VanDerWaalsContact OE1-CA 3.3Å; Q587-P606 PolarHBondContact OE1-O 2.86Å; Q587-P606 VanDerWaalsContact OE1-O 3.09Å; Q587-F633 HydrophobicContact CB-CZ 3.89Å; Q587-F633 HydrophobicContact CG-CZ 4.4Å
588T83.2Confident84.7Confident43 Ų4350.8 Ų50.826%0.26424%0.241SC..Hα-helixtrans-60.5-44.4-179.7-56.60000112L584 N585 L586 E591 E592L584-T588 WeakPolarHBondContact O-CB 3.43Å; L584-T588 PolarHBondContact O-N 2.97Å; L584-T588 PolarHBondContact O-OG1 3.43Å; N585-T588 PolarHBondContact O-N 3.41Å; L586-T588 VanDerWaalsContact C-N 3.27Å; L586-T588 PolarHBondContact O-N 3.1Å; T588-E591 PolarHBondContact O-N 2.95Å; T588-E592 HydrophobicContact CG2-CG 4.46Å; T588-E592 WeakPolarHBondContact O-CB 3.44Å; T588-E592 WeakPolarHBondContact O-CG 3.34Å; T588-E592 PolarHBondContact O-N 2.84Å
589R85.6Confident84.4Confident14 Ų1454.7 Ų54.75%0.05326%0.258CS..Hα-helixtrans-67.2-39.1178.5-75.8177.359.3-179.6-7112.5N585 L586 Q587 E592 K593 E647 E648 E651N585-R589 PolarHBondContact O-N 3.16Å; L586-R589 PolarHBondContact O-N 2.86Å; Q587-R589 PolarHBondContact O-N 2.77Å; R589-E592 PolarHBondContact O-N 3.16Å; R589-K593 PolarHBondContact O-N 2.9Å; R589-E647 IonicContact NH2-OE1 2.98Å; R589-E648 HydrophobicContact CB-CG 3.6Å; R589-E648 IonicContact CZ-OE1 2.67Å; R589-E648 IonicContact NE-OE1 3.25Å; R589-E648 PolarHBondContact NE-OE1 3.28Å; R589-E648 VanDerWaalsContact NE-OE1 3.16Å; R589-E648 IonicContact NH2-OE1 3.06Å; R589-E648 PolarHBondContact NH2-OE1 3.25Å; R589-E651 IonicContact CZ-OE1 3.71Å; R589-E651 IonicContact CZ-OE2 3.74Å; R589-E651 VanDerWaalsContact CZ-OE2 3.22Å; R589-E651 IonicContact NH1-OE1 2.68Å; R589-E651 PolarHBondContact NH1-OE1 3.46Å; R589-E651 IonicContact NH1-OE2 2.76Å; R589-E651 PolarHBondContact NH1-OE2 2.9Å; R589-E651 IonicContact NH2-OE2 3.93Å; R589-E651 PolarHBondContact NH2-OE2 2.79Å
590L87.2Confident84.3Confident1 Ų152.1 Ų52.11%0.00525%0.25CC..Hα-helixtrans-68.4-33.1175.3-64.3172.5000112.1L586 Q587 L596 R597 I600 L637 I643 E648L586-L590 HydrophobicContact CD1-CD1 3.88Å; L586-L590 HydrophobicContact CD1-CG 4.15Å; L586-L590 HydrophobicContact CG-CD1 4Å; L586-L590 WeakPolarHBondContact O-CG 3.37Å; L586-L590 PolarHBondContact O-N 3.47Å; Q587-L590 PolarHBondContact O-N 2.58Å; L590-L596 HydrophobicContact CD2-CB 4.41Å; L590-L596 HydrophobicContact CD2-CD1 3.62Å; L590-R597 PolarHBondContact O-N 2.97Å; L590-I600 VanDerWaalsContact C-CD1 3.46Å; L590-I600 HydrophobicContact CB-CD1 3.73Å; L590-L637 HydrophobicContact CD1-CD1 3.7Å; L590-L637 HydrophobicContact CD1-CD2 4.16Å; L590-I643 HydrophobicContact CD1-CG2 4.03Å; L590-I643 HydrophobicContact CD2-CG2 4.18Å; L590-E648 HydrophobicContact CD2-CB 3.68Å; L590-E648 HydrophobicContact CD2-CG 4.01Å; L590-E648 HydrophobicContact CG-CB 4.26Å; L590-E648 HydrophobicContact CG-CG 4.43Å
591E85.6Confident84Confident90 Ų9059 Ų5942%0.42128%0.28SS..Hα-helixtrans-73.8-24172-74.9-177.9-163.900113.4Q587 T588 R597 I600Q587-E591 HydrophobicContact CG-CG 4.36Å; Q587-E591 WeakPolarHBondContact CG-OE1 3.3Å; Q587-E591 PolarHBondContact NE2-OE1 3.26Å; Q587-E591 WeakPolarHBondContact O-CB 3.32Å; Q587-E591 WeakPolarHBondContact O-CG 3.31Å; Q587-E591 PolarHBondContact O-N 2.99Å; T588-E591 PolarHBondContact O-N 2.95Å; E591-R597 WeakPolarHBondContact O-CD 3.23Å; E591-I600 HydrophobicContact CB-CD1 4.24Å; E591-I600 HydrophobicContact CG-CD1 3.48Å; E591-I600 VanDerWaalsContact CG-CD1 3.48Å; E591-I600 HydrophobicContact CG-CG1 4.44Å
592E80.1Confident83.5Confident70 Ų7060.4 Ų60.433%0.32730%0.302SS..Hα-helixtrans-80.6-28.7178.9-78.2174.515600113.3T588 R589 K665 R672T588-E592 HydrophobicContact CG2-CG 4.46Å; T588-E592 WeakPolarHBondContact O-CB 3.44Å; T588-E592 WeakPolarHBondContact O-CG 3.34Å; T588-E592 PolarHBondContact O-N 2.84Å; R589-E592 PolarHBondContact O-N 3.16Å; E592-K665 IonicContact OE1-NZ 2.72Å; E592-K665 PolarHBondContact OE1-NZ 3.13Å; E592-K665 WeakPolarHBondContact OE2-CE 3.22Å; E592-K665 IonicContact OE2-NZ 3.35Å; E592-K665 PolarHBondContact OE2-NZ 2.95Å; E592-R672 IonicContact OE1-CZ 3.22Å; E592-R672 IonicContact OE1-NH1 2.85Å; E592-R672 IonicContact OE1-NH2 2.72Å; E592-R672 PolarHBondContact OE1-NH2 2.88Å
593K80.4Confident83.3Confident78 Ų7861.4 Ų61.434%0.33931%0.309SS..SBendtrans-81.6116.4172.2-72.4-175.4176.2177.20110.4R589 E595 L596 R597 E647 E648R589-K593 PolarHBondContact O-N 2.9Å; K593-E595 PolarHBondContact O-N 2.68Å; K593-E595 VanDerWaalsContact O-N 3.12Å; K593-L596 HydrophobicContact CB-CB 4.32Å; K593-L596 HydrophobicContact CB-CD1 4.21Å; K593-L596 HydrophobicContact CB-CG 4.24Å; K593-L596 HydrophobicContact CD-CD1 3.97Å; K593-L596 PolarHBondContact O-N 2.86Å; K593-R597 WeakPolarHBondContact O-CB 3.39Å; K593-R597 PolarHBondContact O-N 3.34Å; K593-E647 IonicContact NZ-OE2 3.95Å; K593-E647 PolarHBondContact NZ-OE2 3.35Å; K593-E648 WeakPolarHBondContact CD-OE2 3.31Å; K593-E648 VanDerWaalsContact CE-OE1 3.25Å; K593-E648 WeakPolarHBondContact CE-OE1 3.45Å; K593-E648 VanDerWaalsContact CE-OE2 3.31Å; K593-E648 WeakPolarHBondContact CE-OE2 3.32Å; K593-E648 IonicContact NZ-OE1 3.61Å; K593-E648 PolarHBondContact NZ-OE1 2.97Å; K593-E648 IonicContact NZ-OE2 3.32Å; K593-E648 PolarHBondContact NZ-OE2 2.91Å
594S78.1Confident82.9Confident77 Ų7769 Ų6954%0.53834%0.342SS..THydrogen-bonded Turntrans-54.9-33.5-173.754.10000114.7
595E82.3Confident82.7Confident102 Ų10267.9 Ų67.948%0.47734%0.339SS..THydrogen-bonded Turntrans-77.4-49.1-178-50.9-42.9109.200111K593 R597 K598 F599K593-E595 PolarHBondContact O-N 2.68Å; K593-E595 VanDerWaalsContact O-N 3.12Å; E595-R597 VanDerWaalsContact C-N 3.33Å; E595-R597 PolarHBondContact O-N 2.98Å; E595-K598 WeakPolarHBondContact O-CB 3.28Å; E595-K598 PolarHBondContact O-N 3.39Å; E595-K598 IonicContact OE1-NZ 2.68Å; E595-K598 IonicContact OE2-NZ 2.67Å; E595-K598 PolarHBondContact OE2-NZ 2.59Å; E595-F599 VanDerWaalsContact O-CD2 3.27Å; E595-F599 WeakPolarHBondContact O-CD2 3.43Å; E595-F599 WeakPolarHBondContact O-CE2 3.26Å
596L82.9Confident82.5Confident20 Ų2066.4 Ų66.411%0.10533%0.331CS..Hα-helixtrans-67.1-33.5179.5-56.2-177.9000112.2L590 K593 K598 F599 I600 E642 I643L590-L596 HydrophobicContact CD2-CB 4.41Å; L590-L596 HydrophobicContact CD2-CD1 3.62Å; K593-L596 HydrophobicContact CB-CB 4.32Å; K593-L596 HydrophobicContact CB-CD1 4.21Å; K593-L596 HydrophobicContact CB-CG 4.24Å; K593-L596 HydrophobicContact CD-CD1 3.97Å; K593-L596 PolarHBondContact O-N 2.86Å; L596-K598 PolarHBondContact O-N 2.9Å; L596-K598 VanDerWaalsContact O-N 3.11Å; L596-F599 PolarHBondContact O-N 3.26Å; L596-F599 VanDerWaalsContact O-N 3.1Å; L596-I600 PolarHBondContact O-N 2.82Å; L596-E642 WeakPolarHBondContact CD2-O 3.23Å; L596-I643 HydrophobicContact CD2-CG1 4.48Å
597R83.1Confident81.9Confident160 Ų16073.6 Ų73.660%0.60436%0.362SS*.Hα-helixtrans-54.5-29.6175.8-169.8-174.1-178-142.4-1113.4L590 E591 K593 E595L590-R597 PolarHBondContact O-N 2.97Å; E591-R597 WeakPolarHBondContact O-CD 3.23Å; K593-R597 WeakPolarHBondContact O-CB 3.39Å; K593-R597 PolarHBondContact O-N 3.34Å; E595-R597 VanDerWaalsContact C-N 3.33Å; E595-R597 PolarHBondContact O-N 2.98Å
598K84.9Confident80.6Confident133 Ų13380.7 Ų80.758%0.57839%0.393SS*.Hα-helixtrans-62.9-42.9179.4-63.1166.8-174.3174.80111.1E595 L596E595-K598 WeakPolarHBondContact O-CB 3.28Å; E595-K598 PolarHBondContact O-N 3.39Å; E595-K598 IonicContact OE1-NZ 2.68Å; E595-K598 IonicContact OE2-NZ 2.67Å; E595-K598 PolarHBondContact OE2-NZ 2.59Å; L596-K598 PolarHBondContact O-N 2.9Å; L596-K598 VanDerWaalsContact O-N 3.11Å
599F82.1Confident79.1Confident85 Ų8583.9 Ų83.937%0.37341%0.412SS..Hα-helixtrans-79.4-37.8-173.4-57.9-90.1000112.9E595 L596 K601 I640 E642 I643E595-F599 VanDerWaalsContact O-CD2 3.27Å; E595-F599 WeakPolarHBondContact O-CD2 3.43Å; E595-F599 WeakPolarHBondContact O-CE2 3.26Å; L596-F599 PolarHBondContact O-N 3.26Å; L596-F599 VanDerWaalsContact O-N 3.1Å; F599-K601 VanDerWaalsContact C-N 3.29Å; F599-K601 PolarHBondContact O-N 3.04Å; F599-I640 HydrophobicContact CB-CD1 4.42Å; F599-I640 HydrophobicContact CB-CG2 4.03Å; F599-I640 HydrophobicContact CD1-CG2 4.11Å; F599-I640 HydrophobicContact CG-CG2 4.24Å; F599-E642 HydrophobicContact CE1-CG 4.19Å; F599-E642 VanDerWaalsContact CE1-OE1 3.26Å; F599-E642 WeakPolarHBondContact CE1-OE1 3.46Å; F599-E642 HydrophobicContact CE2-CB 4.41Å; F599-E642 HydrophobicContact CE2-CG 4.43Å; F599-E642 HydrophobicContact CZ-CB 4.39Å; F599-E642 HydrophobicContact CZ-CG 3.95Å; F599-I643 HydrophobicContact CB-CD1 4.02Å
600I84.9Confident77.6Confident15 Ų1587.7 Ų87.78%0.07743%0.429CS..Hα-helixtrans-78.3-5-179.663.7-176.1000114.9L590 E591 L596 G602 V603 L637 I643L590-I600 VanDerWaalsContact C-CD1 3.46Å; L590-I600 HydrophobicContact CB-CD1 3.73Å; E591-I600 HydrophobicContact CB-CD1 4.24Å; E591-I600 HydrophobicContact CG-CD1 3.48Å; E591-I600 VanDerWaalsContact CG-CD1 3.48Å; E591-I600 HydrophobicContact CG-CG1 4.44Å; L596-I600 PolarHBondContact O-N 2.82Å; I600-G602 PolarHBondContact O-N 2.87Å; I600-V603 HydrophobicContact CB-CB 4.49Å; I600-V603 WeakPolarHBondContact O-CB 3.46Å; I600-V603 PolarHBondContact O-N 3.3Å; I600-L637 HydrophobicContact CG2-CD2 3.7Å; I600-I643 HydrophobicContact CG2-CD1 3.34Å
601K77.4Confident75.5Confident192 Ų19293.1 Ų93.184%0.83546%0.464SS*.THydrogen-bonded Turntrans-58.1-21.1-172.6-169.3179.6175.3-171.80114.5F599F599-K601 VanDerWaalsContact C-N 3.29Å; F599-K601 PolarHBondContact O-N 3.04Å
602G73.3Confident73.5Confident76 Ų7695.3 Ų95.378%0.78448%0.479SS*.THydrogen-bonded Turntrans-103.1-3.7174.300000115.7I600I600-G602 PolarHBondContact O-N 2.87Å
603V82.4Confident71.8Confident28 Ų2895.2 Ų95.217%0.1748%0.479CS..  trans-82.9134.6-172.5175.30000110.8I600 G605 F633 Q636 L637 I640I600-V603 HydrophobicContact CB-CB 4.49Å; I600-V603 WeakPolarHBondContact O-CB 3.46Å; I600-V603 PolarHBondContact O-N 3.3Å; V603-G605 PolarHBondContact O-N 3.35Å; V603-G605 VanDerWaalsContact O-N 3.12Å; V603-F633 HydrophobicContact CG1-CD2 3.65Å; V603-F633 HydrophobicContact CG1-CE2 3.91Å; V603-Q636 HydrophobicContact CG1-CB 4.07Å; V603-Q636 HydrophobicContact CG2-CB 4.43Å; V603-L637 HydrophobicContact CG1-CD2 4.2Å; V603-I640 HydrophobicContact CG2-CD1 4.43Å
604K79.4Confident70Confident161 Ų16196.4 Ų96.470%0.750%0.495SS*.  trans-86.181.6-177.3-72.5-178.6179.7173.80111.7
605G81Confident68.1Low12 Ų12103.5 Ų103.512%0.12452%0.517CS..PPolyproline II helixtrans-77.9167.2-179.300000116.9Q587 V603 F633Q587-G605 VanDerWaalsContact OE1-CA 3.3Å; V603-G605 PolarHBondContact O-N 3.35Å; V603-G605 VanDerWaalsContact O-N 3.12Å; G605-F633 VanDerWaalsContact CA-CD2 3.48Å
606P81.8Confident66.6Low5 Ų5101.7 Ų101.73%0.03253%0.525CS..PPolyproline II helixtrans-58.8141.6175.324.9-36000113.4Y580 F583 L584 Q587 L630 F633Y580-P606 HydrophobicContact CE1-CB 4.44Å; Y580-P606 HydrophobicContact CE2-CB 4.01Å; Y580-P606 WeakPolarHBondContact OH-CB 3.34Å; F583-P606 HydrophobicContact CB-CG 4.14Å; L584-P606 WeakPolarHBondContact CD1-O 3.46Å; Q587-P606 PolarHBondContact OE1-O 2.86Å; Q587-P606 VanDerWaalsContact OE1-O 3.09Å; P606-L630 HydrophobicContact CB-CD2 4.12Å; P606-L630 HydrophobicContact CG-CD2 4.48Å; P606-F633 HydrophobicContact CG-CE1 4.39Å
607K76.9Confident65Low150 Ų150107.1 Ų107.165%0.65255%0.554SS**PPolyproline II helixtrans-101.1144.4179.2-63.4-172.1178.9-177.10112.1Y580 V609Y580-K607 PolarHBondContact OH-N 3.29Å; Y580-K607 PolarHBondContact OH-O 3.44Å; K607-V609 VanDerWaalsContact C-N 3.35Å
608K60.9Low63.9Low183 Ų183104.1 Ų104.180%0.79655%0.549SS*.SBendtrans-74.1-20.9178.8-170.4172.6179-178.90113.8L584L584-K608 HydrophobicContact CD2-CB 4Å; L584-K608 HydrophobicContact CD2-CG 4.05Å
609V51.8Low62.9Low110 Ų110100.2 Ų100.267%0.66753%0.534SS*.  trans-126.3123.6-180-177.40000109.9K607K607-V609 VanDerWaalsContact C-N 3.35Å
610F53Low62.2Low94 Ų94100.3 Ų100.341%0.41255%0.545SS..  trans-110128.9155-73.4-86.2000106.2Y580 D612 R626Y580-F610 WeakPolarHBondContact OH-CE2 3.39Å; F610-D612 VanDerWaalsContact C-N 3.34Å; F610-D612 PolarHBondContact O-N 3.13Å; F610-R626 HydrophobicContact CZ-CG 4.5Å
611P43.5Very low61.3Low114 Ų114106 Ų10674%0.7458%0.575SS**SBendtrans-61.5-35.7-171.8-27.436.3000115.1
612D42.4Very low61Low136 Ų136101.4 Ų101.473%0.72756%0.556SS**SBendtrans-11781.8-166.3-51.4-72.2000113.3F610F610-D612 VanDerWaalsContact C-N 3.34Å; F610-D612 PolarHBondContact O-N 3.13Å
613M45.6Very low61Low68 Ų6898.3 Ų98.334%0.33552%0.521SS..  trans-155.6113.3166.9-165.3153-81.400113.1D619 K622 R626M613-D619 HydrophobicContact CE-CB 4.2Å; M613-K622 HydrophobicContact CE-CB 4.39Å; M613-K622 HydrophobicContact CE-CD 3.61Å; M613-R626 PolarHBondContact SD-NH2 3.27Å
614P41.8Very low60.6Low103 Ų103102 Ų10267%0.66954%0.537SS*.  trans-73.2152.7168.831.5-34.2000111.2G616P614-G616 PolarHBondContact O-N 3.26Å; P614-G616 VanDerWaalsContact O-N 3.09Å
615F39.4Very low60.2Low226 Ų22697.8 Ų97.899%0.99153%0.532SS*.THydrogen-bonded Turntrans-68.1103.9177.4-63.9-88.7000111.2
616G49.6Very low60Low64 Ų6499.4 Ų99.466%0.6653%0.534SS*.THydrogen-bonded Turntrans154.9-38.7166.900000116.1P614P614-G616 PolarHBondContact O-N 3.26Å; P614-G616 VanDerWaalsContact O-N 3.09Å
617N51Low60.1Low134 Ų134100.8 Ų100.872%0.71754%0.539SS*.  trans-93118.8-169.7-76.3-8.9000113.4D619N617-D619 PolarHBondContact O-N 3.39Å; N617-D619 VanDerWaalsContact O-N 3.07Å
618M58.3Low60.3Low98 Ų9895.4 Ų95.448%0.48353%0.526SS..  trans-7588167.3-79.3179.251.400110.9T517 S620 I623T517-M618 HydrophobicContact CG2-SD 3.88Å; T517-M618 WeakPolarHBondContact OG1-CE 3.49Å; M618-S620 PolarHBondContact O-N 3.48Å; M618-I623 HydrophobicContact CB-CD1 3.99Å; M618-I623 HydrophobicContact CE-CD1 3.91Å; M618-I623 HydrophobicContact CG-CD1 4.04Å
619D64.6Low61.5Low50 Ų5089.8 Ų89.827%0.26751%0.505SS..  trans-69.7103.9166.6-175.5-43.2000109.5M613 N617 D621 K622 I623M613-D619 HydrophobicContact CE-CB 4.2Å; N617-D619 PolarHBondContact O-N 3.39Å; N617-D619 VanDerWaalsContact O-N 3.07Å; D619-D621 VanDerWaalsContact C-N 3.34Å; D619-D621 PolarHBondContact O-N 2.98Å; D619-D621 PolarHBondContact OD1-N 2.89Å; D619-K622 HydrophobicContact CB-CB 4.07Å; D619-K622 HydrophobicContact CB-CD 4.07Å; D619-K622 HydrophobicContact CB-CG 4.28Å; D619-K622 PolarHBondContact O-N 3.26Å; D619-K622 WeakPolarHBondContact OD1-CG 3.3Å; D619-K622 PolarHBondContact OD1-N 3.24Å; D619-K622 VanDerWaalsContact OD2-CD 3.23Å; D619-K622 WeakPolarHBondContact OD2-CD 3.46Å; D619-K622 WeakPolarHBondContact OD2-CE 3.37Å; D619-K622 IonicContact OD2-NZ 2.65Å; D619-K622 PolarHBondContact OD2-NZ 3.03Å; D619-I623 WeakPolarHBondContact O-CG1 3.48Å; D619-I623 PolarHBondContact O-N 2.86Å
620S66.4Low63.3Low87 Ų8784.6 Ų84.661%0.60847%0.474SS*.Hα-helixtrans-60.7-41.3-173.6-171.60000112.4M618 K622 I623 E624M618-S620 PolarHBondContact O-N 3.48Å; S620-K622 VanDerWaalsContact C-N 3.33Å; S620-K622 PolarHBondContact O-N 3.05Å; S620-I623 PolarHBondContact O-N 3.46Å; S620-I623 VanDerWaalsContact O-N 3.1Å; S620-E624 PolarHBondContact O-N 2.89Å
621D67.4Low65Low134 Ų13482 Ų8272%0.71746%0.463SS*.Hα-helixtrans-67.6-37.6-178.2-59.5-22.5000110.5D619 I623 A625D619-D621 VanDerWaalsContact C-N 3.34Å; D619-D621 PolarHBondContact O-N 2.98Å; D619-D621 PolarHBondContact OD1-N 2.89Å; D621-I623 VanDerWaalsContact C-N 3.35Å; D621-A625 VanDerWaalsContact O-CB 3.25Å; D621-A625 WeakPolarHBondContact O-CB 3.46Å; D621-A625 PolarHBondContact O-N 2.92Å
622K70.8Confident67.1Low96 Ų9680 Ų8042%0.41745%0.448SS..Hα-helixtrans-70.3-27172.2-68.5177.6-171.51310113M613 D619 S620 R626M613-K622 HydrophobicContact CE-CB 4.39Å; M613-K622 HydrophobicContact CE-CD 3.61Å; D619-K622 HydrophobicContact CB-CB 4.07Å; D619-K622 HydrophobicContact CB-CD 4.07Å; D619-K622 HydrophobicContact CB-CG 4.28Å; D619-K622 PolarHBondContact O-N 3.26Å; D619-K622 WeakPolarHBondContact OD1-CG 3.3Å; D619-K622 PolarHBondContact OD1-N 3.24Å; D619-K622 VanDerWaalsContact OD2-CD 3.23Å; D619-K622 WeakPolarHBondContact OD2-CD 3.46Å; D619-K622 WeakPolarHBondContact OD2-CE 3.37Å; D619-K622 IonicContact OD2-NZ 2.65Å; D619-K622 PolarHBondContact OD2-NZ 3.03Å; S620-K622 VanDerWaalsContact C-N 3.33Å; S620-K622 PolarHBondContact O-N 3.05Å; K622-R626 WeakPolarHBondContact O-CB 3.25Å; K622-R626 VanDerWaalsContact O-CD 3.28Å; K622-R626 WeakPolarHBondContact O-CD 3.31Å; K622-R626 WeakPolarHBondContact O-CG 3.39Å; K622-R626 PolarHBondContact O-N 3.48Å; K622-R626 VanDerWaalsContact O-N 3.08Å
623I72.8Confident69.4Low12 Ų1273.8 Ų73.86%0.06242%0.415CS..Hα-helixtrans-72.7-44.6173.6-69.3167.5000110.6T515 T530 Y532 M618 D619 S620 D621 R626 K627T515-I623 HydrophobicContact CG2-CG2 3.82Å; T530-I623 HydrophobicContact CG2-CG2 4.37Å; Y532-I623 HydrophobicContact CE1-CG2 4.28Å; M618-I623 HydrophobicContact CB-CD1 3.99Å; M618-I623 HydrophobicContact CE-CD1 3.91Å; M618-I623 HydrophobicContact CG-CD1 4.04Å; D619-I623 WeakPolarHBondContact O-CG1 3.48Å; D619-I623 PolarHBondContact O-N 2.86Å; S620-I623 PolarHBondContact O-N 3.46Å; S620-I623 VanDerWaalsContact O-N 3.1Å; D621-I623 VanDerWaalsContact C-N 3.35Å; I623-R626 PolarHBondContact O-N 3.42Å; I623-K627 WeakPolarHBondContact O-CB 3.38Å; I623-K627 PolarHBondContact O-N 3.18Å
624E73.3Confident71.6Confident106 Ų10670.5 Ų70.550%0.49540%0.399SS..Hα-helixtrans-67-38.5176.2-169.964.6-161.300111.6S620 R626 K627 G628S620-E624 PolarHBondContact O-N 2.89Å; E624-R626 PolarHBondContact O-N 2.99Å; E624-K627 VanDerWaalsContact CD-CD 3.45Å; E624-K627 WeakPolarHBondContact O-CB 3.23Å; E624-K627 PolarHBondContact O-N 2.91Å; E624-K627 WeakPolarHBondContact OE1-CD 3.32Å; E624-K627 IonicContact OE1-NZ 2.79Å; E624-K627 PolarHBondContact OE1-NZ 3.12Å; E624-K627 WeakPolarHBondContact OE2-CD 3.3Å; E624-K627 IonicContact OE2-NZ 2.86Å; E624-K627 PolarHBondContact OE2-NZ 3.1Å; E624-G628 PolarHBondContact O-N 3.1Å
625A72.6Confident73.9Confident72 Ų7270.1 Ų70.160%0.59539%0.386SS*.Hα-helixtrans-63.4-37.317200000112.9D621D621-A625 VanDerWaalsContact O-CB 3.25Å; D621-A625 WeakPolarHBondContact O-CB 3.46Å; D621-A625 PolarHBondContact O-N 2.92Å
626R76.8Confident76.2Confident46 Ų4662.7 Ų62.717%0.17436%0.355CS..Hα-helixtrans-67.6-42.8173.2-76.9164.6-177.6157.9-0.4111.8F610 M613 K622 I623 E624 G628 L629 L630F610-R626 HydrophobicContact CZ-CG 4.5Å; M613-R626 PolarHBondContact SD-NH2 3.27Å; K622-R626 WeakPolarHBondContact O-CB 3.25Å; K622-R626 VanDerWaalsContact O-CD 3.28Å; K622-R626 WeakPolarHBondContact O-CD 3.31Å; K622-R626 WeakPolarHBondContact O-CG 3.39Å; K622-R626 PolarHBondContact O-N 3.48Å; K622-R626 VanDerWaalsContact O-N 3.08Å; I623-R626 PolarHBondContact O-N 3.42Å; E624-R626 PolarHBondContact O-N 2.99Å; R626-G628 VanDerWaalsContact C-N 3.33Å; R626-G628 PolarHBondContact O-N 3.05Å; R626-L629 WeakPolarHBondContact O-CB 3.28Å; R626-L629 PolarHBondContact O-N 3.34Å; R626-L629 VanDerWaalsContact O-N 3.13Å; R626-L630 WeakPolarHBondContact O-CG 3.49Å; R626-L630 PolarHBondContact O-N 3.35Å
627K82.6Confident78.1Confident33 Ų3359.7 Ų59.714%0.14332%0.324CS..Hα-helixtrans-54.1-46.7177.7172-159.3-178-171.80111.7I512 Y532 I623 E624 L629 L630 E631I512-K627 HydrophobicContact CB-CG 3.94Å; I512-K627 HydrophobicContact CG2-CG 3.8Å; I512-K627 WeakPolarHBondContact O-CE 3.48Å; Y532-K627 HydrophobicContact CD1-CB 4.26Å; Y532-K627 HydrophobicContact CE1-CB 4.11Å; I623-K627 WeakPolarHBondContact O-CB 3.38Å; I623-K627 PolarHBondContact O-N 3.18Å; E624-K627 VanDerWaalsContact CD-CD 3.45Å; E624-K627 WeakPolarHBondContact O-CB 3.23Å; E624-K627 PolarHBondContact O-N 2.91Å; E624-K627 WeakPolarHBondContact OE1-CD 3.32Å; E624-K627 IonicContact OE1-NZ 2.79Å; E624-K627 PolarHBondContact OE1-NZ 3.12Å; E624-K627 WeakPolarHBondContact OE2-CD 3.3Å; E624-K627 IonicContact OE2-NZ 2.86Å; E624-K627 PolarHBondContact OE2-NZ 3.1Å; K627-L629 PolarHBondContact O-N 3.37Å; K627-L630 PolarHBondContact O-N 3.4Å; K627-E631 WeakPolarHBondContact O-CB 3.48Å; K627-E631 PolarHBondContact O-N 3.18Å
628G82.3Confident79.8Confident37 Ų3754.4 Ų54.438%0.38130%0.297SS..Hα-helixtrans-59.9-40.817600000113.8E624 R626 T632E624-G628 PolarHBondContact O-N 3.1Å; R626-G628 VanDerWaalsContact C-N 3.33Å; R626-G628 PolarHBondContact O-N 3.05Å; G628-T632 WeakPolarHBondContact O-CB 3.3Å; G628-T632 PolarHBondContact O-N 2.93Å; G628-T632 PolarHBondContact O-OG1 3.15Å
629L85.1Confident81.2Confident66 Ų6654.2 Ų54.235%0.34631%0.305SS..Hα-helixtrans-65.5-45.9173.6-18066.9000112.1R626 K627 T632 F633R626-L629 WeakPolarHBondContact O-CB 3.28Å; R626-L629 PolarHBondContact O-N 3.34Å; R626-L629 VanDerWaalsContact O-N 3.13Å; K627-L629 PolarHBondContact O-N 3.37Å; L629-T632 PolarHBondContact O-N 2.9Å; L629-F633 WeakPolarHBondContact O-CB 3.41Å; L629-F633 PolarHBondContact O-N 3.48Å
630L89.4Confident82.2Confident1 Ų153.3 Ų53.31%0.00530%0.3CS..Hα-helixtrans-65.7-38.7-179.8-67.4179.5000112.5I512 Y532 Y580 F583 P606 R626 K627 F633 L634I512-L630 HydrophobicContact CD1-CB 3.66Å; Y532-L630 HydrophobicContact CD1-CD1 4.02Å; Y532-L630 HydrophobicContact CD2-CD1 4.01Å; Y532-L630 HydrophobicContact CE1-CD1 3.9Å; Y532-L630 HydrophobicContact CE2-CD1 3.91Å; Y532-L630 HydrophobicContact CG-CD1 4.09Å; Y580-L630 HydrophobicContact CD2-CD1 4.1Å; Y580-L630 HydrophobicContact CD2-CD2 4.27Å; Y580-L630 HydrophobicContact CE2-CD2 4.08Å; F583-L630 HydrophobicContact CB-CD2 3.96Å; F583-L630 HydrophobicContact CD1-CB 4.17Å; F583-L630 HydrophobicContact CD1-CD1 4.35Å; F583-L630 HydrophobicContact CD1-CD2 3.75Å; F583-L630 HydrophobicContact CD1-CG 4.3Å; F583-L630 HydrophobicContact CD2-CD1 4.16Å; F583-L630 HydrophobicContact CD2-CD2 4.43Å; F583-L630 HydrophobicContact CE1-CB 3.84Å; F583-L630 HydrophobicContact CE1-CD1 4.16Å; F583-L630 HydrophobicContact CE1-CD2 4.26Å; F583-L630 HydrophobicContact CE1-CG 4.31Å; F583-L630 HydrophobicContact CE2-CD1 4Å; F583-L630 HydrophobicContact CG-CD1 4.33Å; F583-L630 HydrophobicContact CG-CD2 3.83Å; F583-L630 HydrophobicContact CZ-CB 4.34Å; F583-L630 HydrophobicContact CZ-CD1 4Å; P606-L630 HydrophobicContact CB-CD2 4.12Å; P606-L630 HydrophobicContact CG-CD2 4.48Å; R626-L630 WeakPolarHBondContact O-CG 3.49Å; R626-L630 PolarHBondContact O-N 3.35Å; K627-L630 PolarHBondContact O-N 3.4Å; L630-F633 PolarHBondContact O-N 2.89Å; L630-L634 WeakPolarHBondContact O-CG 3.3Å; L630-L634 PolarHBondContact O-N 2.84Å
631E89.3Confident82.9Confident40 Ų4052.7 Ų52.719%0.18730%0.296CS..Hα-helixtrans-66.7-43.2174.7-172.3179.1119.200111.2R511 I512 K627 F633 L634 K635R511-E631 WeakPolarHBondContact CA-OE2 3.19Å; I512-E631 HydrophobicContact CB-CB 4.49Å; I512-E631 HydrophobicContact CD1-CB 4.01Å; I512-E631 HydrophobicContact CG1-CB 3.96Å; I512-E631 HydrophobicContact CG1-CG 4.36Å; I512-E631 PolarHBondContact N-OE2 3.29Å; K627-E631 WeakPolarHBondContact O-CB 3.48Å; K627-E631 PolarHBondContact O-N 3.18Å; E631-F633 VanDerWaalsContact C-N 3.31Å; E631-F633 PolarHBondContact O-N 2.91Å; E631-L634 PolarHBondContact O-N 3.5Å; E631-K635 HydrophobicContact CG-CD 4.13Å; E631-K635 WeakPolarHBondContact O-CB 3.22Å; E631-K635 VanDerWaalsContact O-CG 3.32Å; E631-K635 WeakPolarHBondContact O-CG 3.23Å; E631-K635 PolarHBondContact O-N 2.78Å; E631-K635 WeakPolarHBondContact OE1-CE 3.25Å; E631-K635 IonicContact OE1-NZ 3.99Å; E631-K635 PolarHBondContact OE1-NZ 2.79Å
632T88.3Confident83.8Confident71 Ų7151 Ų5144%0.43628%0.283SS..Hα-helixtrans-61.3-41.9175.3-56.30000111.2G628 L629 K635 Q636G628-T632 WeakPolarHBondContact O-CB 3.3Å; G628-T632 PolarHBondContact O-N 2.93Å; G628-T632 PolarHBondContact O-OG1 3.15Å; L629-T632 PolarHBondContact O-N 2.9Å; T632-K635 PolarHBondContact O-N 2.96Å; T632-Q636 WeakPolarHBondContact O-CB 3.43Å; T632-Q636 WeakPolarHBondContact O-CG 3.41Å; T632-Q636 PolarHBondContact O-N 3.39Å
633F91Very high84.5Confident5 Ų546.4 Ų46.42%0.02226%0.264CS..Hα-helixtrans-60-52.9175.2172-113.9000111.9F583 L586 Q587 V603 G605 P606 L629 L630 E631 K635 Q636 L637F583-F633 HydrophobicContact CD1-CD1 4.5Å; L586-F633 HydrophobicContact CD2-CE1 4.39Å; Q587-F633 HydrophobicContact CB-CZ 3.89Å; Q587-F633 HydrophobicContact CG-CZ 4.4Å; V603-F633 HydrophobicContact CG1-CD2 3.65Å; V603-F633 HydrophobicContact CG1-CE2 3.91Å; G605-F633 VanDerWaalsContact CA-CD2 3.48Å; P606-F633 HydrophobicContact CG-CE1 4.39Å; L629-F633 WeakPolarHBondContact O-CB 3.41Å; L629-F633 PolarHBondContact O-N 3.48Å; L630-F633 PolarHBondContact O-N 2.89Å; E631-F633 VanDerWaalsContact C-N 3.31Å; E631-F633 PolarHBondContact O-N 2.91Å; F633-K635 VanDerWaalsContact C-N 3.35Å; F633-K635 PolarHBondContact O-N 3.04Å; F633-Q636 PolarHBondContact O-N 3.18Å; F633-L637 HydrophobicContact CD1-CD1 4.42Å; F633-L637 HydrophobicContact CD2-CG 4.44Å; F633-L637 HydrophobicContact CE1-CD1 3.82Å; F633-L637 HydrophobicContact CE2-CD1 3.98Å; F633-L637 HydrophobicContact CE2-CD2 4.19Å; F633-L637 HydrophobicContact CE2-CG 4.14Å; F633-L637 HydrophobicContact CZ-CD1 3.57Å; F633-L637 HydrophobicContact CZ-CG 4.24Å; F633-L637 WeakPolarHBondContact O-CG 3.39Å; F633-L637 PolarHBondContact O-N 3.42Å
634L91.4Very high85.1Confident0 Ų046.1 Ų46.10%026%0.263CS..Hα-helixtrans-62.3-39.9178.2-69.6-175.8000112.4L510 I534 F583 L586 L630 E631 Q636 L637 C638 M649 F652L510-L634 HydrophobicContact CD1-CB 4.2Å; L510-L634 HydrophobicContact CD1-CD1 4.48Å; L510-L634 HydrophobicContact CD2-CB 3.64Å; L510-L634 HydrophobicContact CD2-CD1 4.11Å; I534-L634 HydrophobicContact CD1-CD1 3.66Å; I534-L634 HydrophobicContact CG1-CD1 4.02Å; I534-L634 HydrophobicContact CG2-CD1 4.21Å; F583-L634 HydrophobicContact CD1-CD1 4.4Å; F583-L634 HydrophobicContact CD1-CD2 4.27Å; F583-L634 HydrophobicContact CD1-CG 4.27Å; F583-L634 HydrophobicContact CE1-CD1 3.63Å; F583-L634 HydrophobicContact CE1-CD2 4.31Å; F583-L634 HydrophobicContact CE1-CG 3.93Å; F583-L634 HydrophobicContact CZ-CD1 4.44Å; L586-L634 HydrophobicContact CD2-CD2 3.96Å; L630-L634 WeakPolarHBondContact O-CG 3.3Å; L630-L634 PolarHBondContact O-N 2.84Å; E631-L634 PolarHBondContact O-N 3.5Å; L634-Q636 VanDerWaalsContact C-N 3.34Å; L634-Q636 PolarHBondContact O-N 3.2Å; L634-L637 PolarHBondContact O-N 3.4Å; L634-C638 WeakPolarHBondContact O-CB 3.39Å; L634-C638 PolarHBondContact O-N 3.48Å; L634-C638 PolarHBondContact O-SG 3.22Å; L634-M649 HydrophobicContact CD2-CE 4.08Å; L634-F652 HydrophobicContact CD1-CE1 4.04Å; L634-F652 HydrophobicContact CD2-CD1 4.32Å; L634-F652 HydrophobicContact CD2-CE1 3.68Å; L634-F652 HydrophobicContact CD2-CZ 4.32Å
635K89.6Confident85.6Confident94 Ų9443.7 Ų43.741%0.40925%0.253SS..Hα-helixtrans-60.4-41.7174.2-75.9173.7174.9174.90112.1L510 E631 T632 F633 C638 S639L510-K635 HydrophobicContact CD2-CG 4.32Å; L510-K635 WeakPolarHBondContact O-CE 3.26Å; E631-K635 HydrophobicContact CG-CD 4.13Å; E631-K635 WeakPolarHBondContact O-CB 3.22Å; E631-K635 VanDerWaalsContact O-CG 3.32Å; E631-K635 WeakPolarHBondContact O-CG 3.23Å; E631-K635 PolarHBondContact O-N 2.78Å; E631-K635 WeakPolarHBondContact OE1-CE 3.25Å; E631-K635 IonicContact OE1-NZ 3.99Å; E631-K635 PolarHBondContact OE1-NZ 2.79Å; T632-K635 PolarHBondContact O-N 2.96Å; F633-K635 VanDerWaalsContact C-N 3.35Å; F633-K635 PolarHBondContact O-N 3.04Å; K635-C638 PolarHBondContact O-N 3.44Å; K635-S639 PolarHBondContact O-N 3.24Å; K635-S639 PolarHBondContact O-OG 3.49Å
636Q88Confident86.4Confident71 Ų7140.7 Ų40.733%0.33223%0.228SC..Hα-helixtrans-65.5-38.3175.6-75.5179.4-10.800112.4V603 T632 F633 L634 S639V603-Q636 HydrophobicContact CG1-CB 4.07Å; V603-Q636 HydrophobicContact CG2-CB 4.43Å; T632-Q636 WeakPolarHBondContact O-CB 3.43Å; T632-Q636 WeakPolarHBondContact O-CG 3.41Å; T632-Q636 PolarHBondContact O-N 3.39Å; F633-Q636 PolarHBondContact O-N 3.18Å; L634-Q636 VanDerWaalsContact C-N 3.34Å; L634-Q636 PolarHBondContact O-N 3.2Å; Q636-S639 WeakPolarHBondContact CA-OG 3.5Å; Q636-S639 PolarHBondContact O-N 2.95Å; Q636-S639 PolarHBondContact O-OG 3.46Å
637L88.8Confident86.7Confident0 Ų043.1 Ų43.10%024%0.241CC..Hα-helixtrans-67.4-43.4173.6-64-173.6000112.3L586 L590 I600 V603 F633 L634 S639 I640 I643 M649L586-L637 HydrophobicContact CD2-CD1 3.9Å; L586-L637 HydrophobicContact CG-CD1 4.38Å; L590-L637 HydrophobicContact CD1-CD1 3.7Å; L590-L637 HydrophobicContact CD1-CD2 4.16Å; I600-L637 HydrophobicContact CG2-CD2 3.7Å; V603-L637 HydrophobicContact CG1-CD2 4.2Å; F633-L637 HydrophobicContact CD1-CD1 4.42Å; F633-L637 HydrophobicContact CD2-CG 4.44Å; F633-L637 HydrophobicContact CE1-CD1 3.82Å; F633-L637 HydrophobicContact CE2-CD1 3.98Å; F633-L637 HydrophobicContact CE2-CD2 4.19Å; F633-L637 HydrophobicContact CE2-CG 4.14Å; F633-L637 HydrophobicContact CZ-CD1 3.57Å; F633-L637 HydrophobicContact CZ-CG 4.24Å; F633-L637 WeakPolarHBondContact O-CG 3.39Å; F633-L637 PolarHBondContact O-N 3.42Å; L634-L637 PolarHBondContact O-N 3.4Å; L637-S639 VanDerWaalsContact C-N 3.27Å; L637-S639 PolarHBondContact O-N 2.96Å; L637-I640 PolarHBondContact O-N 2.89Å; L637-I643 HydrophobicContact CB-CG2 3.94Å; L637-I643 HydrophobicContact CD2-CD1 4.16Å; L637-I643 HydrophobicContact CD2-CG2 4.23Å; L637-I643 HydrophobicContact CG-CG2 4.48Å; L637-M649 HydrophobicContact CB-CE 3.76Å; L637-M649 HydrophobicContact CB-SD 4.31Å; L637-M649 HydrophobicContact CD1-CE 4.38Å; L637-M649 HydrophobicContact CD1-SD 4.2Å
638C87.9Confident87Confident23 Ų2341.9 Ų41.916%0.15524%0.236CC..Hα-helixtrans-66.5-24.9176.6-72.60000113.6L634 K635 I640 M649L634-C638 WeakPolarHBondContact O-CB 3.39Å; L634-C638 PolarHBondContact O-N 3.48Å; L634-C638 PolarHBondContact O-SG 3.22Å; K635-C638 PolarHBondContact O-N 3.44Å; C638-I640 PolarHBondContact O-N 2.92Å; C638-M649 WeakPolarHBondContact SG-CE 3.44Å
639S86.3Confident87.2Confident94 Ų9440.1 Ų40.166%0.65722%0.218SC*.THydrogen-bonded Turntrans-74.2-2.9175.263.10000114.7K635 Q636 L637K635-S639 PolarHBondContact O-N 3.24Å; K635-S639 PolarHBondContact O-OG 3.49Å; Q636-S639 WeakPolarHBondContact CA-OG 3.5Å; Q636-S639 PolarHBondContact O-N 2.95Å; Q636-S639 PolarHBondContact O-OG 3.46Å; L637-S639 VanDerWaalsContact C-N 3.27Å; L637-S639 PolarHBondContact O-N 2.96Å
640I86.9Confident87.3Confident32 Ų3238.5 Ų38.516%0.16421%0.209CC..SBendtrans-114.1112179-61.7166000107.4F599 V603 L637 C638 E642 I643 A644F599-I640 HydrophobicContact CB-CD1 4.42Å; F599-I640 HydrophobicContact CB-CG2 4.03Å; F599-I640 HydrophobicContact CD1-CG2 4.11Å; F599-I640 HydrophobicContact CG-CG2 4.24Å; V603-I640 HydrophobicContact CG2-CD1 4.43Å; L637-I640 PolarHBondContact O-N 2.89Å; C638-I640 PolarHBondContact O-N 2.92Å; I640-E642 VanDerWaalsContact C-N 3.29Å; I640-E642 HydrophobicContact CG2-CB 4.48Å; I640-E642 VanDerWaalsContact CG2-OE2 3.3Å; I640-E642 WeakPolarHBondContact CG2-OE2 3.23Å; I640-E642 PolarHBondContact O-N 3.28Å; I640-I643 HydrophobicContact CB-CB 4.3Å; I640-I643 HydrophobicContact CB-CD1 3.98Å; I640-I643 HydrophobicContact CB-CG1 4.3Å; I640-I643 HydrophobicContact CD1-CD1 3.83Å; I640-I643 HydrophobicContact CG2-CB 4.27Å; I640-I643 HydrophobicContact CG2-CD1 3.77Å; I640-I643 HydrophobicContact CG2-CG1 3.86Å; I640-I643 PolarHBondContact O-N 2.91Å; I640-A644 PolarHBondContact O-N 2.88Å
641S80.1Confident87.2Confident74 Ų7440 Ų4052%0.51722%0.216SC..Hα-helixtrans-60.1-38.5-170.2-170.10000112.8I643 A644 N645S641-I643 PolarHBondContact O-N 3.34Å; S641-A644 PolarHBondContact O-N 3.48Å; S641-N645 WeakPolarHBondContact O-CB 3.45Å; S641-N645 PolarHBondContact O-N 3.15Å; S641-N645 PolarHBondContact O-ND2 2.82Å; S641-N645 PolarHBondContact OG-ND2 2.74Å
642E86.3Confident87.2Confident97 Ų9738.1 Ų38.145%0.45321%0.207SC..Hα-helixtrans-65.6-23.7179-55.991.1151.400112.8L596 F599 I640L596-E642 WeakPolarHBondContact CD2-O 3.23Å; F599-E642 HydrophobicContact CE1-CG 4.19Å; F599-E642 VanDerWaalsContact CE1-OE1 3.26Å; F599-E642 WeakPolarHBondContact CE1-OE1 3.46Å; F599-E642 HydrophobicContact CE2-CB 4.41Å; F599-E642 HydrophobicContact CE2-CG 4.43Å; F599-E642 HydrophobicContact CZ-CB 4.39Å; F599-E642 HydrophobicContact CZ-CG 3.95Å; I640-E642 VanDerWaalsContact C-N 3.29Å; I640-E642 HydrophobicContact CG2-CB 4.48Å; I640-E642 VanDerWaalsContact CG2-OE2 3.3Å; I640-E642 WeakPolarHBondContact CG2-OE2 3.23Å; I640-E642 PolarHBondContact O-N 3.28Å
643I86Confident87.2Confident0 Ų034.8 Ų34.80%019%0.186CC..Hα-helixtrans-95.2-42.3175.8-61.9170.3000110.4L590 L596 F599 I600 L637 I640 S641 N645 S646 M649L590-I643 HydrophobicContact CD1-CG2 4.03Å; L590-I643 HydrophobicContact CD2-CG2 4.18Å; L596-I643 HydrophobicContact CD2-CG1 4.48Å; F599-I643 HydrophobicContact CB-CD1 4.02Å; I600-I643 HydrophobicContact CG2-CD1 3.34Å; L637-I643 HydrophobicContact CB-CG2 3.94Å; L637-I643 HydrophobicContact CD2-CD1 4.16Å; L637-I643 HydrophobicContact CD2-CG2 4.23Å; L637-I643 HydrophobicContact CG-CG2 4.48Å; I640-I643 HydrophobicContact CB-CB 4.3Å; I640-I643 HydrophobicContact CB-CD1 3.98Å; I640-I643 HydrophobicContact CB-CG1 4.3Å; I640-I643 HydrophobicContact CD1-CD1 3.83Å; I640-I643 HydrophobicContact CG2-CB 4.27Å; I640-I643 HydrophobicContact CG2-CD1 3.77Å; I640-I643 HydrophobicContact CG2-CG1 3.86Å; I640-I643 PolarHBondContact O-N 2.91Å; S641-I643 PolarHBondContact O-N 3.34Å; I643-N645 PolarHBondContact O-N 2.96Å; I643-S646 VanDerWaalsContact O-CB 3.3Å; I643-S646 WeakPolarHBondContact O-CB 3.44Å; I643-S646 PolarHBondContact O-N 3.31Å; I643-S646 PolarHBondContact O-OG 2.88Å; I643-M649 WeakPolarHBondContact O-CB 3.44Å
644A85.4Confident86.9Confident6 Ų635.3 Ų35.35%0.0519%0.192CC..Hα-helixtrans-55-40176.600000112.2I507 I640 S641I507-A644 HydrophobicContact CD1-CB 4.29Å; I640-A644 PolarHBondContact O-N 2.88Å; S641-A644 PolarHBondContact O-N 3.48Å
645N84.1Confident86.3Confident55 Ų5536.8 Ų36.829%0.29420%0.2SC..THydrogen-bonded Turntrans-91.49.4176.9-62.4-75.9000113.9I505 S641 I643I505-N645 PolarHBondContact N-OD1 3.41Å; I505-N645 VanDerWaalsContact N-OD1 3.13Å; S641-N645 WeakPolarHBondContact O-CB 3.45Å; S641-N645 PolarHBondContact O-N 3.15Å; S641-N645 PolarHBondContact O-ND2 2.82Å; S641-N645 PolarHBondContact OG-ND2 2.74Å; I643-N645 PolarHBondContact O-N 2.96Å
646S87.9Confident85.3Confident10 Ų1035.9 Ų35.97%0.0720%0.199CC..SBendtrans-78.4146.3178.270.70000112.8I643 E648 M649 Q650I643-S646 VanDerWaalsContact O-CB 3.3Å; I643-S646 WeakPolarHBondContact O-CB 3.44Å; I643-S646 PolarHBondContact O-N 3.31Å; I643-S646 PolarHBondContact O-OG 2.88Å; S646-E648 VanDerWaalsContact C-N 3.25Å; S646-E648 PolarHBondContact O-N 3.37Å; S646-M649 PolarHBondContact O-N 3.34Å; S646-M649 WeakPolarHBondContact OG-CB 3.24Å; S646-M649 PolarHBondContact OG-N 3.34Å; S646-Q650 PolarHBondContact O-N 2.77Å
647E84.4Confident84.3Confident96 Ų9635.4 Ų35.445%0.44920%0.201SC..Hα-helixtrans-48.4-47.6172.8-175.5-153.516200111.4R589 K593 M649 Q650 E651 K666R589-E647 IonicContact NH2-OE1 2.98Å; K593-E647 IonicContact NZ-OE2 3.95Å; K593-E647 PolarHBondContact NZ-OE2 3.35Å; E647-M649 VanDerWaalsContact C-N 3.33Å; E647-M649 PolarHBondContact O-N 2.74Å; E647-Q650 PolarHBondContact O-N 2.91Å; E647-E651 WeakPolarHBondContact O-CB 3.29Å; E647-E651 PolarHBondContact O-N 3.48Å; E647-K666 IonicContact OE1-NZ 2.91Å; E647-K666 PolarHBondContact OE1-NZ 3.16Å
648E88Confident83.3Confident7 Ų738.4 Ų38.43%0.03322%0.217CC..Hα-helixtrans-52.3-46.7176.2-83.660.1-137.800113.3L586 R589 L590 K593 S646 F652 F663L586-E648 HydrophobicContact CD1-CB 4.02Å; R589-E648 HydrophobicContact CB-CG 3.6Å; R589-E648 IonicContact CZ-OE1 2.67Å; R589-E648 IonicContact NE-OE1 3.25Å; R589-E648 PolarHBondContact NE-OE1 3.28Å; R589-E648 VanDerWaalsContact NE-OE1 3.16Å; R589-E648 IonicContact NH2-OE1 3.06Å; R589-E648 PolarHBondContact NH2-OE1 3.25Å; L590-E648 HydrophobicContact CD2-CB 3.68Å; L590-E648 HydrophobicContact CD2-CG 4.01Å; L590-E648 HydrophobicContact CG-CB 4.26Å; L590-E648 HydrophobicContact CG-CG 4.43Å; K593-E648 WeakPolarHBondContact CD-OE2 3.31Å; K593-E648 VanDerWaalsContact CE-OE1 3.25Å; K593-E648 WeakPolarHBondContact CE-OE1 3.45Å; K593-E648 VanDerWaalsContact CE-OE2 3.31Å; K593-E648 WeakPolarHBondContact CE-OE2 3.32Å; K593-E648 IonicContact NZ-OE1 3.61Å; K593-E648 PolarHBondContact NZ-OE1 2.97Å; K593-E648 IonicContact NZ-OE2 3.32Å; K593-E648 PolarHBondContact NZ-OE2 2.91Å; S646-E648 VanDerWaalsContact C-N 3.25Å; S646-E648 PolarHBondContact O-N 3.37Å; E648-F652 VanDerWaalsContact O-CB 3.25Å; E648-F652 WeakPolarHBondContact O-CB 3.48Å; E648-F652 PolarHBondContact O-N 2.93Å; E648-F663 WeakPolarHBondContact O-CE2 3.45Å
649M87.8Confident82.2Confident0 Ų039.3 Ų39.30%023%0.226CC..Hα-helixtrans-78-40.3-174.3-164.665.317000111.3L586 L634 L637 C638 I643 S646 E647 F652 L653L586-M649 HydrophobicContact CD1-SD 4.42Å; L586-M649 HydrophobicContact CD2-SD 3.93Å; L634-M649 HydrophobicContact CD2-CE 4.08Å; L637-M649 HydrophobicContact CB-CE 3.76Å; L637-M649 HydrophobicContact CB-SD 4.31Å; L637-M649 HydrophobicContact CD1-CE 4.38Å; L637-M649 HydrophobicContact CD1-SD 4.2Å; C638-M649 WeakPolarHBondContact SG-CE 3.44Å; I643-M649 WeakPolarHBondContact O-CB 3.44Å; S646-M649 PolarHBondContact O-N 3.34Å; S646-M649 WeakPolarHBondContact OG-CB 3.24Å; S646-M649 PolarHBondContact OG-N 3.34Å; E647-M649 VanDerWaalsContact C-N 3.33Å; E647-M649 PolarHBondContact O-N 2.74Å; M649-F652 PolarHBondContact O-N 2.8Å; M649-L653 HydrophobicContact CE-CD1 4.2Å; M649-L653 HydrophobicContact CG-CD1 4.22Å; M649-L653 VanDerWaalsContact O-CB 3.31Å; M649-L653 WeakPolarHBondContact O-CB 3.3Å; M649-L653 WeakPolarHBondContact O-CG 3.45Å; M649-L653 PolarHBondContact O-N 3.46Å
650Q87.1Confident81.1Confident32 Ų3245.1 Ų45.115%0.1523%0.234CC..Hα-helixtrans-67.1-37.9176.3-66.9-178.9-8.800112S646 E647 A654 L655 N656S646-Q650 PolarHBondContact O-N 2.77Å; E647-Q650 PolarHBondContact O-N 2.91Å; Q650-A654 PolarHBondContact O-N 2.94Å; Q650-A654 VanDerWaalsContact O-N 3.09Å; Q650-L655 HydrophobicContact CB-CB 4.2Å; Q650-L655 HydrophobicContact CB-CD1 4.49Å; Q650-L655 HydrophobicContact CG-CD1 4.1Å; Q650-L655 PolarHBondContact O-N 3.26Å; Q650-N656 PolarHBondContact OE1-ND2 2.96Å
651E85.9Confident80.1Confident33 Ų3348.7 Ų48.715%0.15425%0.252CS..Hα-helixtrans-69-40.5173.7-176.6-170.9163.100111.8R589 E647 A654 T657 F663 K666R589-E651 IonicContact CZ-OE1 3.71Å; R589-E651 IonicContact CZ-OE2 3.74Å; R589-E651 VanDerWaalsContact CZ-OE2 3.22Å; R589-E651 IonicContact NH1-OE1 2.68Å; R589-E651 PolarHBondContact NH1-OE1 3.46Å; R589-E651 IonicContact NH1-OE2 2.76Å; R589-E651 PolarHBondContact NH1-OE2 2.9Å; R589-E651 IonicContact NH2-OE2 3.93Å; R589-E651 PolarHBondContact NH2-OE2 2.79Å; E647-E651 WeakPolarHBondContact O-CB 3.29Å; E647-E651 PolarHBondContact O-N 3.48Å; E651-A654 PolarHBondContact O-N 3.35Å; E651-T657 HydrophobicContact CG-CG2 4.35Å; E651-T657 PolarHBondContact O-OG1 2.97Å; E651-F663 HydrophobicContact CB-CD2 4.41Å; E651-F663 HydrophobicContact CB-CE2 4Å; E651-F663 HydrophobicContact CG-CD2 3.93Å; E651-F663 HydrophobicContact CG-CE2 3.83Å; E651-K666 VanDerWaalsContact CD-NZ 3.29Å; E651-K666 WeakPolarHBondContact OE1-CE 3.17Å; E651-K666 IonicContact OE1-NZ 3.25Å; E651-K666 PolarHBondContact OE1-NZ 3.36Å; E651-K666 WeakPolarHBondContact OE2-CE 3.5Å; E651-K666 IonicContact OE2-NZ 3.67Å; E651-K666 PolarHBondContact OE2-NZ 3.36Å
652F89.8Confident79.2Confident0 Ų047.9 Ų47.90%025%0.25CS..Hα-helixtrans-66.3-44.3175.8176.9-92.5000112.1I534 R578 E582 F583 L586 L634 E648 M649 A654 F663I534-F652 HydrophobicContact CD1-CE1 3.72Å; I534-F652 HydrophobicContact CD1-CZ 4.01Å; R578-F652 HydrophobicContact CB-CE2 4.09Å; R578-F652 HydrophobicContact CB-CZ 3.94Å; R578-F652 HydrophobicContact CG-CD2 4.4Å; R578-F652 HydrophobicContact CG-CE1 4.21Å; R578-F652 HydrophobicContact CG-CE2 3.77Å; R578-F652 HydrophobicContact CG-CZ 3.67Å; R578-F652 VanDerWaalsContact CZ-O 3.3Å; R578-F652 PolarHBondContact NE-O 3.35Å; R578-F652 PolarHBondContact NH2-O 3.31Å; E582-F652 HydrophobicContact CB-CE2 4.01Å; F583-F652 AromaticContact CD1-CZ 3.77Å; F583-F652 HydrophobicContact CD1-CZ 3.77Å; F583-F652 HydrophobicContact CD2-CE2 4.48Å; F583-F652 HydrophobicContact CD2-CZ 4.15Å; F583-F652 HydrophobicContact CE1-CE1 4.47Å; F583-F652 AromaticContact CE1-CZ 3.9Å; F583-F652 HydrophobicContact CE1-CZ 3.9Å; F583-F652 HydrophobicContact CE2-CZ 4.23Å; F583-F652 HydrophobicContact CG-CE2 4.32Å; F583-F652 AromaticContact CG-CZ 3.92Å; F583-F652 HydrophobicContact CG-CZ 3.92Å; F583-F652 HydrophobicContact CZ-CZ 4.12Å; L586-F652 HydrophobicContact CB-CD2 4.02Å; L586-F652 HydrophobicContact CB-CE2 4.36Å; L586-F652 HydrophobicContact CB-CG 4.45Å; L586-F652 HydrophobicContact CD1-CB 4.05Å; L586-F652 HydrophobicContact CD1-CG 4.38Å; L586-F652 HydrophobicContact CD2-CB 4.29Å; L586-F652 HydrophobicContact CD2-CD1 3.79Å; L586-F652 HydrophobicContact CD2-CD2 4.04Å; L586-F652 HydrophobicContact CD2-CE1 4.08Å; L586-F652 HydrophobicContact CD2-CE2 4.3Å; L586-F652 HydrophobicContact CD2-CG 3.77Å; L586-F652 HydrophobicContact CD2-CZ 4.32Å; L586-F652 HydrophobicContact CG-CD2 4.47Å; L586-F652 HydrophobicContact CG-CG 4.42Å; L634-F652 HydrophobicContact CD1-CE1 4.04Å; L634-F652 HydrophobicContact CD2-CD1 4.32Å; L634-F652 HydrophobicContact CD2-CE1 3.68Å; L634-F652 HydrophobicContact CD2-CZ 4.32Å; E648-F652 VanDerWaalsContact O-CB 3.25Å; E648-F652 WeakPolarHBondContact O-CB 3.48Å; E648-F652 PolarHBondContact O-N 2.93Å; M649-F652 PolarHBondContact O-N 2.8Å; F652-A654 PolarHBondContact O-N 3.14Å; F652-F663 HydrophobicContact CB-CD2 3.85Å; F652-F663 HydrophobicContact CB-CE2 3.76Å; F652-F663 HydrophobicContact CB-CG 4.27Å; F652-F663 HydrophobicContact CB-CZ 4.14Å; F652-F663 HydrophobicContact CD2-CB 4.22Å; F652-F663 AromaticContact CD2-CD1 3.84Å; F652-F663 HydrophobicContact CD2-CD1 3.84Å; F652-F663 HydrophobicContact CD2-CD2 4.33Å; F652-F663 HydrophobicContact CD2-CE1 4.28Å; F652-F663 AromaticContact CD2-CG 3.88Å; F652-F663 HydrophobicContact CD2-CG 3.88Å
653L88.5Confident78.3Confident1 Ų143.5 Ų43.51%0.00523%0.23CC..Hα-helixtrans-76.1-8179.1-69.9-178.7000114.1I507 L510 I534 Y536 M649 L655I507-L653 HydrophobicContact CD1-CD1 3.63Å; L510-L653 HydrophobicContact CD1-CD2 4.19Å; I534-L653 HydrophobicContact CG2-CD2 4.48Å; Y536-L653 HydrophobicContact CD1-CD2 4.14Å; Y536-L653 HydrophobicContact CE1-CB 3.95Å; Y536-L653 HydrophobicContact CE1-CD2 3.93Å; Y536-L653 HydrophobicContact CE1-CG 4.35Å; Y536-L653 HydrophobicContact CE2-CD1 4.49Å; Y536-L653 PolarHBondContact OH-O 3.11Å; M649-L653 HydrophobicContact CE-CD1 4.2Å; M649-L653 HydrophobicContact CG-CD1 4.22Å; M649-L653 VanDerWaalsContact O-CB 3.31Å; M649-L653 WeakPolarHBondContact O-CB 3.3Å; M649-L653 WeakPolarHBondContact O-CG 3.45Å; M649-L653 PolarHBondContact O-N 3.46Å; L653-L655 HydrophobicContact CB-CG 4.41Å
654A84.8Confident77.1Confident16 Ų1648.2 Ų48.213%0.13226%0.258CS..THydrogen-bonded Turntrans62.541.7-176.100000114.1V576 Q650 E651 F652 T657 A659V576-A654 HydrophobicContact CG2-CB 3.99Å; Q650-A654 PolarHBondContact O-N 2.94Å; Q650-A654 VanDerWaalsContact O-N 3.09Å; E651-A654 PolarHBondContact O-N 3.35Å; F652-A654 PolarHBondContact O-N 3.14Å; A654-T657 WeakPolarHBondContact CB-O 3.28Å; A654-A659 HydrophobicContact CB-CB 3.75Å
655L79.7Confident75.6Confident32 Ų3251.4 Ų51.417%0.16827%0.271CS..SBendtrans-79.2-33.3175-78.9172.2000113.2I505 I507 Y536 T538 Q650 L653I505-L655 HydrophobicContact CD1-CD1 4.46Å; I505-L655 HydrophobicContact CG2-CD1 4.27Å; I507-L655 HydrophobicContact CD1-CD1 4.47Å; Y536-L655 HydrophobicContact CE2-CD2 3.93Å; Y536-L655 HydrophobicContact CE2-CG 4.3Å; Y536-L655 WeakPolarHBondContact OH-CD2 3.48Å; Y536-L655 WeakPolarHBondContact OH-CG 3.38Å; T538-L655 HydrophobicContact CG2-CD2 4.04Å; Q650-L655 HydrophobicContact CB-CB 4.2Å; Q650-L655 HydrophobicContact CB-CD1 4.49Å; Q650-L655 HydrophobicContact CG-CD1 4.1Å; Q650-L655 PolarHBondContact O-N 3.26Å; L653-L655 HydrophobicContact CB-CG 4.41Å
656N68.3Low74Confident75 Ų7552.7 Ų52.740%0.40127%0.274SS..SBendtrans-122.916.9179.5-68-43.9000112.2S500 Q650S500-N656 PolarHBondContact OG-OD1 2.68Å; Q650-N656 PolarHBondContact OE1-ND2 2.96Å
657T67.3Low71.4Confident61 Ų6158.1 Ų58.137%0.37431%0.309SS..SBendtrans-147.9158.4-174.249.90000111E651 A654 A659E651-T657 HydrophobicContact CG-CG2 4.35Å; E651-T657 PolarHBondContact O-OG1 2.97Å; A654-T657 WeakPolarHBondContact CB-O 3.28Å; T657-A659 PolarHBondContact O-N 2.76Å
658D66.9Low69.2Low63 Ų6361.4 Ų61.434%0.33732%0.322SS..  trans-67.6124177.4-174.9-26.4000111.2R660 I661D658-R660 PolarHBondContact O-N 2.81Å; D658-R660 VanDerWaalsContact OD1-CB 3.23Å; D658-R660 WeakPolarHBondContact OD1-CB 3.27Å; D658-R660 VanDerWaalsContact OD1-CG 3.29Å; D658-R660 WeakPolarHBondContact OD1-CG 3.36Å; D658-R660 IonicContact OD1-CZ 2.82Å; D658-R660 PolarHBondContact OD1-N 3.44Å; D658-R660 IonicContact OD1-NE 3.23Å; D658-R660 PolarHBondContact OD1-NE 3.49Å; D658-R660 IonicContact OD2-CZ 2.66Å; D658-R660 VanDerWaalsContact OD2-CZ 3.23Å; D658-R660 IonicContact OD2-NE 3.59Å; D658-R660 PolarHBondContact OD2-NE 3.18Å; D658-R660 IonicContact OD2-NH2 3.65Å; D658-R660 PolarHBondContact OD2-NH2 3.42Å; D658-I661 HydrophobicContact CB-CD1 3.89Å; D658-I661 HydrophobicContact CB-CG1 4.07Å; D658-I661 WeakPolarHBondContact O-CB 3.32Å; D658-I661 PolarHBondContact O-N 2.84Å
659A65.6Low67Low42 Ų4266.6 Ų66.635%0.34735%0.349SS..THydrogen-bonded Turntrans-61.7-10179.800000114.9V576 A654 T657V576-A659 HydrophobicContact CG2-CB 4.3Å; A654-A659 HydrophobicContact CB-CB 3.75Å; T657-A659 PolarHBondContact O-N 2.76Å
660R62.8Low64.6Low215 Ų21571.4 Ų71.481%0.81138%0.378SS*.THydrogen-bonded Turntrans-83.8-18.9172.8-59.7174.7-70.2-174.61.8113.2D658D658-R660 PolarHBondContact O-N 2.81Å; D658-R660 VanDerWaalsContact OD1-CB 3.23Å; D658-R660 WeakPolarHBondContact OD1-CB 3.27Å; D658-R660 VanDerWaalsContact OD1-CG 3.29Å; D658-R660 WeakPolarHBondContact OD1-CG 3.36Å; D658-R660 IonicContact OD1-CZ 2.82Å; D658-R660 PolarHBondContact OD1-N 3.44Å; D658-R660 IonicContact OD1-NE 3.23Å; D658-R660 PolarHBondContact OD1-NE 3.49Å; D658-R660 IonicContact OD2-CZ 2.66Å; D658-R660 VanDerWaalsContact OD2-CZ 3.23Å; D658-R660 IonicContact OD2-NE 3.59Å; D658-R660 PolarHBondContact OD2-NE 3.18Å; D658-R660 IonicContact OD2-NH2 3.65Å; D658-R660 PolarHBondContact OD2-NH2 3.42Å
661I64.6Low62.5Low107 Ų10772.1 Ų72.155%0.54939%0.386SS..SBendtrans-80.4129.9-179.7-61.3172.8000109.6R578 D658R578-I661 PolarHBondContact NH1-O 3.41Å; D658-I661 HydrophobicContact CB-CD1 3.89Å; D658-I661 HydrophobicContact CB-CG1 4.07Å; D658-I661 WeakPolarHBondContact O-CB 3.32Å; D658-I661 PolarHBondContact O-N 2.84Å
662A61.8Low60.4Low58 Ų5879.6 Ų79.648%0.47941%0.413SS..  trans-72.3137.3177.200000112.2V664A662-V664 HydrophobicContact CB-CG2 4.14Å; A662-V664 PolarHBondContact O-N 2.92Å
663F67.3Low58.2Low4 Ų485.3 Ų85.32%0.01844%0.443CS..  trans-76.366.8173.8-169-94.5000110.6E582 N585 L586 E648 E651 F652E582-F663 HydrophobicContact CB-CB 4.14Å; E582-F663 HydrophobicContact CG-CB 4.03Å; E582-F663 WeakPolarHBondContact OE1-CB 3.45Å; E582-F663 PolarHBondContact OE1-N 2.93Å; N585-F663 HydrophobicContact CB-CD1 3.99Å; N585-F663 HydrophobicContact CB-CE1 4.04Å; N585-F663 PolarHBondContact ND2-O 2.64Å; L586-F663 HydrophobicContact CB-CE1 3.93Å; L586-F663 HydrophobicContact CB-CZ 4.45Å; L586-F663 HydrophobicContact CD1-CE1 4.48Å; L586-F663 HydrophobicContact CD1-CZ 4.16Å; E648-F663 WeakPolarHBondContact O-CE2 3.45Å; E651-F663 HydrophobicContact CB-CD2 4.41Å; E651-F663 HydrophobicContact CB-CE2 4Å; E651-F663 HydrophobicContact CG-CD2 3.93Å; E651-F663 HydrophobicContact CG-CE2 3.83Å; F652-F663 HydrophobicContact CB-CD2 3.85Å; F652-F663 HydrophobicContact CB-CE2 3.76Å; F652-F663 HydrophobicContact CB-CG 4.27Å; F652-F663 HydrophobicContact CB-CZ 4.14Å; F652-F663 HydrophobicContact CD2-CB 4.22Å; F652-F663 AromaticContact CD2-CD1 3.84Å; F652-F663 HydrophobicContact CD2-CD1 3.84Å; F652-F663 HydrophobicContact CD2-CD2 4.33Å; F652-F663 HydrophobicContact CD2-CE1 4.28Å; F652-F663 AromaticContact CD2-CG 3.88Å; F652-F663 HydrophobicContact CD2-CG 3.88Å
664V60.3Low56.4Low100 Ų10088.6 Ų88.661%0.60646%0.46SS*.  trans-66.9149.9171.8-175.40000108.9A662 K666A662-V664 HydrophobicContact CB-CG2 4.14Å; A662-V664 PolarHBondContact O-N 2.92Å; V664-K666 PolarHBondContact O-N 3.03Å
665K54.6Low54.6Low73 Ų7394.4 Ų94.432%0.31748%0.482SS..  trans-63.8109.5169.8178.5166.8-176162.80108.6N585 E592 P667N585-K665 PolarHBondContact ND2-N 3.39Å; E592-K665 IonicContact OE1-NZ 2.72Å; E592-K665 PolarHBondContact OE1-NZ 3.13Å; E592-K665 WeakPolarHBondContact OE2-CE 3.22Å; E592-K665 IonicContact OE2-NZ 3.35Å; E592-K665 PolarHBondContact OE2-NZ 2.95Å; K665-P667 VanDerWaalsContact O-N 3.15Å
666K50.3Low52.9Low82 Ų8299 Ų9936%0.35751%0.506SS..  trans-44.3119.4171-81.1175.5168.5158.80108.9E647 E651 V664 F668E647-K666 IonicContact OE1-NZ 2.91Å; E647-K666 PolarHBondContact OE1-NZ 3.16Å; E651-K666 VanDerWaalsContact CD-NZ 3.29Å; E651-K666 WeakPolarHBondContact OE1-CE 3.17Å; E651-K666 IonicContact OE1-NZ 3.25Å; E651-K666 PolarHBondContact OE1-NZ 3.36Å; E651-K666 WeakPolarHBondContact OE2-CE 3.5Å; E651-K666 IonicContact OE2-NZ 3.67Å; E651-K666 PolarHBondContact OE2-NZ 3.36Å; V664-K666 PolarHBondContact O-N 3.03Å; K666-F668 PolarHBondContact O-N 2.9Å
667P34.2Very low51.8Low123 Ų12399 Ų9980%0.79951%0.508SS*.  trans-74.394.2-170.128-34.5000110.9K665 I669K665-P667 VanDerWaalsContact O-N 3.15Å; P667-I669 PolarHBondContact O-N 3.43Å
668F37.2Very low51Low165 Ų16598.3 Ų98.372%0.72450%0.504SS*.  trans-71.8110.5166.3-94.9-87.2000109.9K666K666-F668 PolarHBondContact O-N 2.9Å
669I42.8Very low50.2Low116 Ų11699 Ų9960%0.59551%0.508SS*.SBendtrans-53.8143.5164.1-60.9163.9000109P667P667-I669 PolarHBondContact O-N 3.43Å
670V36.5Very low49.7Very low102 Ų10299.8 Ų99.862%0.61851%0.514SS*.SBendtrans88102.5-163-175.50000112.3
671S42.4Very low49.3Very low46 Ų4692.5 Ų92.532%0.32249%0.49SS..  trans-80.9150.8175.9123.80000111.2I673 D674S671-I673 VanDerWaalsContact C-N 3.28Å; S671-I673 PolarHBondContact OG-N 3.18Å; S671-D674 WeakPolarHBondContact CA-OD2 3.22Å; S671-D674 VanDerWaalsContact CB-CG 3.44Å; S671-D674 WeakPolarHBondContact CB-OD1 3.44Å; S671-D674 VanDerWaalsContact CB-OD2 3.3Å; S671-D674 WeakPolarHBondContact CB-OD2 3.28Å; S671-D674 PolarHBondContact N-OD2 2.87Å; S671-D674 WeakPolarHBondContact O-CB 3.33Å; S671-D674 PolarHBondContact O-N 2.96Å; S671-D674 PolarHBondContact OG-N 3.2Å; S671-D674 PolarHBondContact OG-OD1 3.5Å
672R43.2Very low49.1Very low190 Ų19088 Ų8872%0.71747%0.468SS*.THydrogen-bonded Turntrans-79.5-8.7175.1-72.3-172.3-179.6158.76.8113.6E592E592-R672 IonicContact OE1-CZ 3.22Å; E592-R672 IonicContact OE1-NH1 2.85Å; E592-R672 IonicContact OE1-NH2 2.72Å; E592-R672 PolarHBondContact OE1-NH2 2.88Å
673I43.3Very low49Very low121 Ų12187 Ų8762%0.62146%0.462SS*.THydrogen-bonded Turntrans-75.5-41168.2-70.773.3000108.4S671 K675 I676 V677S671-I673 VanDerWaalsContact C-N 3.28Å; S671-I673 PolarHBondContact OG-N 3.18Å; I673-K675 VanDerWaalsContact C-N 3.35Å; I673-K675 PolarHBondContact O-N 2.95Å; I673-I676 PolarHBondContact O-N 3.45Å; I673-I676 VanDerWaalsContact O-N 3.12Å; I673-V677 HydrophobicContact CG2-CG2 3.83Å; I673-V677 PolarHBondContact O-N 3.11Å; I673-V677 VanDerWaalsContact O-N 3.1Å
674D51Low48.8Very low69 Ų6988 Ų8837%0.36947%0.469SS..Hα-helixtrans-52.6-51.7-176.8-46.2-10.5000110.3S671 I676 V677 V678S671-D674 WeakPolarHBondContact CA-OD2 3.22Å; S671-D674 VanDerWaalsContact CB-CG 3.44Å; S671-D674 WeakPolarHBondContact CB-OD1 3.44Å; S671-D674 VanDerWaalsContact CB-OD2 3.3Å; S671-D674 WeakPolarHBondContact CB-OD2 3.28Å; S671-D674 PolarHBondContact N-OD2 2.87Å; S671-D674 WeakPolarHBondContact O-CB 3.33Å; S671-D674 PolarHBondContact O-N 2.96Å; S671-D674 PolarHBondContact OG-N 3.2Å; S671-D674 PolarHBondContact OG-OD1 3.5Å; D674-I676 PolarHBondContact O-N 3Å; D674-I676 VanDerWaalsContact O-N 3.08Å; D674-V677 PolarHBondContact O-N 3.23Å; D674-V677 VanDerWaalsContact O-N 3.17Å; D674-V678 HydrophobicContact CB-CG2 4.36Å; D674-V678 WeakPolarHBondContact O-CA 3.46Å; D674-V678 WeakPolarHBondContact O-CB 3.31Å; D674-V678 VanDerWaalsContact O-CG2 3.23Å; D674-V678 WeakPolarHBondContact O-CG2 3.46Å; D674-V678 PolarHBondContact O-N 3.21Å
675K47.5Very low48.9Very low139 Ų13983.8 Ų83.860%0.60444%0.443SS*.Hα-helixtrans-65.3-19.2-173.9-162.2163-171.2169.70114.7I673 N679I673-K675 VanDerWaalsContact C-N 3.35Å; I673-K675 PolarHBondContact O-N 2.95Å; K675-N679 WeakPolarHBondContact O-CB 3.34Å; K675-N679 PolarHBondContact O-N 3.35Å; K675-N679 PolarHBondContact O-OD1 2.89Å
676I43.6Very low49.4Very low129 Ų12982.5 Ų82.566%0.66244%0.438SS*.Hα-helixtrans-88-45.6172.2-62.3178.5000110.3I673 D674 N679 A680I673-I676 PolarHBondContact O-N 3.45Å; I673-I676 VanDerWaalsContact O-N 3.12Å; D674-I676 PolarHBondContact O-N 3Å; D674-I676 VanDerWaalsContact O-N 3.08Å; I676-N679 PolarHBondContact O-N 2.67Å; I676-A680 WeakPolarHBondContact O-CB 3.36Å; I676-A680 PolarHBondContact O-N 3.11Å
677V45.2Very low50.2Low74 Ų7482.3 Ų82.345%0.44844%0.443SS..Hα-helixtrans-65.8-46.1-180175.90000111.1I673 D674 A680 I681I673-V677 HydrophobicContact CG2-CG2 3.83Å; I673-V677 PolarHBondContact O-N 3.11Å; I673-V677 VanDerWaalsContact O-N 3.1Å; D674-V677 PolarHBondContact O-N 3.23Å; D674-V677 VanDerWaalsContact O-N 3.17Å; V677-A680 PolarHBondContact O-N 2.97Å; V677-I681 HydrophobicContact CG1-CD1 3.8Å; V677-I681 WeakPolarHBondContact O-CB 3.3Å; V677-I681 VanDerWaalsContact O-CG1 3.3Å; V677-I681 WeakPolarHBondContact O-CG1 3.43Å; V677-I681 PolarHBondContact O-N 3.24Å
678V49.3Very low51.6Low46 Ų4676.4 Ų76.428%0.27941%0.405SS..Hα-helixtrans-66.5-38.7175.81790000111.3V102 D674 A680 I681 V682V102-V678 HydrophobicContact CB-CG1 4.37Å; V102-V678 HydrophobicContact CG1-CG1 4.01Å; V102-V678 HydrophobicContact CG2-CG1 3.39Å; D674-V678 HydrophobicContact CB-CG2 4.36Å; D674-V678 WeakPolarHBondContact O-CA 3.46Å; D674-V678 WeakPolarHBondContact O-CB 3.31Å; D674-V678 VanDerWaalsContact O-CG2 3.23Å; D674-V678 WeakPolarHBondContact O-CG2 3.46Å; D674-V678 PolarHBondContact O-N 3.21Å; V678-A680 VanDerWaalsContact C-N 3.32Å; V678-A680 PolarHBondContact O-N 3.47Å; V678-I681 PolarHBondContact O-N 2.83Å; V678-V682 HydrophobicContact CG1-CG2 4.32Å; V678-V682 VanDerWaalsContact O-CB 3.3Å; V678-V682 WeakPolarHBondContact O-CB 3.34Å; V678-V682 WeakPolarHBondContact O-CG2 3.42Å; V678-V682 PolarHBondContact O-N 2.84Å
679N51.5Low53Low79 Ų7969.6 Ų69.642%0.42238%0.375SS..Hα-helixtrans-67.1-32.5172.3-78.922.2000112.4V102 K675 I676 G683V102-N679 WeakPolarHBondContact CG1-OD1 3.24Å; K675-N679 WeakPolarHBondContact O-CB 3.34Å; K675-N679 PolarHBondContact O-N 3.35Å; K675-N679 PolarHBondContact O-OD1 2.89Å; I676-N679 PolarHBondContact O-N 2.67Å; N679-G683 PolarHBondContact O-N 2.9Å
680A55Low53.8Low57 Ų5766.4 Ų66.447%0.47136%0.362SS..Hα-helixtrans-72.4-39174.800000112I676 V677 V678 T684I676-A680 WeakPolarHBondContact O-CB 3.36Å; I676-A680 PolarHBondContact O-N 3.11Å; V677-A680 PolarHBondContact O-N 2.97Å; V678-A680 VanDerWaalsContact C-N 3.32Å; V678-A680 PolarHBondContact O-N 3.47Å; A680-T684 VanDerWaalsContact O-CB 3.26Å; A680-T684 WeakPolarHBondContact O-CB 3.4Å; A680-T684 PolarHBondContact O-N 2.99Å; A680-T684 PolarHBondContact O-OG1 2.9Å
681I54Low54.8Low63 Ų6366 Ų6632%0.32335%0.353SS..Hα-helixtrans-66.2-45.4172.6-70.1167.8000110.2V677 V678 T684 L685V677-I681 HydrophobicContact CG1-CD1 3.8Å; V677-I681 WeakPolarHBondContact O-CB 3.3Å; V677-I681 VanDerWaalsContact O-CG1 3.3Å; V677-I681 WeakPolarHBondContact O-CG1 3.43Å; V677-I681 PolarHBondContact O-N 3.24Å; V678-I681 PolarHBondContact O-N 2.83Å; I681-T684 CarbonylContact O-C 3.36Å; I681-T684 WeakPolarHBondContact O-CB 3.1Å; I681-T684 PolarHBondContact O-N 3.44Å; I681-L685 HydrophobicContact CG2-CD1 3.76Å; I681-L685 HydrophobicContact CG2-CG 4.23Å; I681-L685 WeakPolarHBondContact O-CB 3.36Å; I681-L685 VanDerWaalsContact O-CG 3.26Å; I681-L685 WeakPolarHBondContact O-CG 3.49Å; I681-L685 PolarHBondContact O-N 3.43Å
682V60.8Low54.6Low13 Ų1368.4 Ų68.48%0.07937%0.37CS..Hα-helixtrans-65.8-40.7176167.70000112.1W98 Y99 V102 V678 T684 L685 K686W98-V682 HydrophobicContact CH2-CG2 4.09Å; W98-V682 HydrophobicContact CZ3-CG2 3.5Å; Y99-V682 HydrophobicContact CD2-CG2 4.41Å; Y99-V682 HydrophobicContact CE2-CG1 4.18Å; V102-V682 HydrophobicContact CB-CG2 4.29Å; V102-V682 HydrophobicContact CG1-CB 4.39Å; V102-V682 HydrophobicContact CG1-CG2 3.97Å; V102-V682 HydrophobicContact CG2-CG2 4.3Å; V678-V682 HydrophobicContact CG1-CG2 4.32Å; V678-V682 VanDerWaalsContact O-CB 3.3Å; V678-V682 WeakPolarHBondContact O-CB 3.34Å; V678-V682 WeakPolarHBondContact O-CG2 3.42Å; V678-V682 PolarHBondContact O-N 2.84Å; V682-T684 VanDerWaalsContact C-N 3.32Å; V682-T684 PolarHBondContact O-N 2.85Å; V682-L685 PolarHBondContact O-N 2.75Å; V682-K686 HydrophobicContact CG1-CD 4.29Å; V682-K686 HydrophobicContact CG1-CG 4.37Å; V682-K686 WeakPolarHBondContact O-CB 3.36Å; V682-K686 WeakPolarHBondContact O-CG 3.44Å; V682-K686 PolarHBondContact O-N 3.31Å
683G59.5Low54.1Low35 Ų3567.8 Ų67.836%0.36138%0.375SS..Hα-helixtrans-59.1-46.1171.300000111.2N679 K686 T687N679-G683 PolarHBondContact O-N 2.9Å; G683-K686 PolarHBondContact O-N 3.09Å; G683-T687 WeakPolarHBondContact O-CG2 3.43Å; G683-T687 PolarHBondContact O-N 2.88Å; G683-T687 PolarHBondContact O-OG1 3.42Å
684T63.5Low53.6Low25 Ų2567.4 Ų67.415%0.15338%0.38CS..Hα-helixtrans-59.8-46.9175.6-61.90000111.7T213 V217 A680 I681 V682 T687 A688T213-T684 HydrophobicContact CG2-CG2 3.71Å; T213-T684 WeakPolarHBondContact O-CG2 3.44Å; V217-T684 HydrophobicContact CB-CG2 4.3Å; V217-T684 HydrophobicContact CG2-CG2 4.02Å; A680-T684 VanDerWaalsContact O-CB 3.26Å; A680-T684 WeakPolarHBondContact O-CB 3.4Å; A680-T684 PolarHBondContact O-N 2.99Å; A680-T684 PolarHBondContact O-OG1 2.9Å; I681-T684 CarbonylContact O-C 3.36Å; I681-T684 WeakPolarHBondContact O-CB 3.1Å; I681-T684 PolarHBondContact O-N 3.44Å; V682-T684 VanDerWaalsContact C-N 3.32Å; V682-T684 PolarHBondContact O-N 2.85Å; T684-T687 WeakPolarHBondContact CA-OG1 3.23Å; T684-T687 CarbonylContact O-C 3.58Å; T684-T687 WeakPolarHBondContact O-CA 3.36Å; T684-T687 PolarHBondContact O-N 3.29Å; T684-T687 PolarHBondContact O-OG1 2.95Å; T684-A688 WeakPolarHBondContact O-CB 3.17Å; T684-A688 PolarHBondContact O-N 3.46Å
685L62Low52.6Low12 Ų1273.6 Ų73.66%0.06341%0.407CS..Hα-helixtrans-68.1-39.8-179.8-72.3174.6000112.4W98 F108 V218 I681 V682 T687 A688 F689W98-L685 HydrophobicContact CH2-CD1 3.83Å; W98-L685 HydrophobicContact CZ2-CD1 4.21Å; F108-L685 HydrophobicContact CE2-CB 3.72Å; F108-L685 HydrophobicContact CZ-CB 3.82Å; F108-L685 HydrophobicContact CZ-CD1 4.13Å; F108-L685 HydrophobicContact CZ-CG 4.5Å; V218-L685 HydrophobicContact CG2-CD2 3.69Å; I681-L685 HydrophobicContact CG2-CD1 3.76Å; I681-L685 HydrophobicContact CG2-CG 4.23Å; I681-L685 WeakPolarHBondContact O-CB 3.36Å; I681-L685 VanDerWaalsContact O-CG 3.26Å; I681-L685 WeakPolarHBondContact O-CG 3.49Å; I681-L685 PolarHBondContact O-N 3.43Å; V682-L685 PolarHBondContact O-N 2.75Å; L685-T687 VanDerWaalsContact C-N 3.27Å; L685-T687 PolarHBondContact O-N 3.34Å; L685-A688 CarbonylContact O-C 3.59Å; L685-A688 WeakPolarHBondContact O-CA 3.41Å; L685-A688 VanDerWaalsContact O-CB 3.3Å; L685-A688 WeakPolarHBondContact O-CB 3.16Å; L685-A688 PolarHBondContact O-N 3.24Å; L685-F689 HydrophobicContact CD2-CE2 4.34Å; L685-F689 WeakPolarHBondContact O-CD2 3.24Å; L685-F689 PolarHBondContact O-N 3.5Å
686K65.1Low51.7Low47 Ų4771.8 Ų71.820%0.20441%0.412CS..Hα-helixtrans-65.1-29170.6-72.6-169.9177.2-174.20112.5Y99 S103 E105 F108 V682 G683 A688Y99-K686 WeakPolarHBondContact OH-CE 3.09Å; Y99-K686 PolarHBondContact OH-NZ 3.16Å; S103-K686 PolarHBondContact OG-NZ 2.98Å; E105-K686 IonicContact OE2-NZ 2.72Å; E105-K686 PolarHBondContact OE2-NZ 3.45Å; F108-K686 HydrophobicContact CD2-CG 4.11Å; F108-K686 HydrophobicContact CG-CG 4.46Å; V682-K686 HydrophobicContact CG1-CD 4.29Å; V682-K686 HydrophobicContact CG1-CG 4.37Å; V682-K686 WeakPolarHBondContact O-CB 3.36Å; V682-K686 WeakPolarHBondContact O-CG 3.44Å; V682-K686 PolarHBondContact O-N 3.31Å; G683-K686 PolarHBondContact O-N 3.09Å; K686-A688 VanDerWaalsContact C-N 3.31Å
687T65.9Low51.4Low77 Ų7771.6 Ų71.647%0.47242%0.419SS..THydrogen-bonded Turntrans-83.4-3.7167.561.10000114.2T211 G683 T684 L685T211-T687 WeakPolarHBondContact CG2-O 3.39Å; T211-T687 PolarHBondContact OG1-O 3.44Å; G683-T687 WeakPolarHBondContact O-CG2 3.43Å; G683-T687 PolarHBondContact O-N 2.88Å; G683-T687 PolarHBondContact O-OG1 3.42Å; T684-T687 WeakPolarHBondContact CA-OG1 3.23Å; T684-T687 CarbonylContact O-C 3.58Å; T684-T687 WeakPolarHBondContact O-CA 3.36Å; T684-T687 PolarHBondContact O-N 3.29Å; T684-T687 PolarHBondContact O-OG1 2.95Å; L685-T687 VanDerWaalsContact C-N 3.27Å; L685-T687 PolarHBondContact O-N 3.34Å
688A63.3Low50.8Low0 Ų074.2 Ų74.20%044%0.436CS..THydrogen-bonded Turntrans-97.6-24.717600000111.7H208 L209 T684 L685 K686H208-A688 CarbonylContact C-O 3.59Å; H208-A688 WeakPolarHBondContact CA-O 3.07Å; L209-A688 HydrophobicContact CD2-CB 3.8Å; L209-A688 PolarHBondContact N-O 2.76Å; T684-A688 WeakPolarHBondContact O-CB 3.17Å; T684-A688 PolarHBondContact O-N 3.46Å; L685-A688 CarbonylContact O-C 3.59Å; L685-A688 WeakPolarHBondContact O-CA 3.41Å; L685-A688 VanDerWaalsContact O-CB 3.3Å; L685-A688 WeakPolarHBondContact O-CB 3.16Å; L685-A688 PolarHBondContact O-N 3.24Å; K686-A688 VanDerWaalsContact C-N 3.31Å
689F67.5Low50Low21 Ų2180.1 Ų80.19%0.09246%0.46CS..SBendtrans-125.686.6177.8-64.1-82.5000108F108 E111 V112 A115 H208 L209 V218 L685F108-F689 HydrophobicContact CE2-CD2 4.03Å; E111-F689 HydrophobicContact CB-CB 4.11Å; E111-F689 HydrophobicContact CG-CB 3.72Å; V112-F689 HydrophobicContact CG2-CD1 4.29Å; V112-F689 HydrophobicContact CG2-CD2 3.89Å; V112-F689 HydrophobicContact CG2-CE1 4.48Å; V112-F689 HydrophobicContact CG2-CE2 4.09Å; V112-F689 HydrophobicContact CG2-CG 4Å; V112-F689 HydrophobicContact CG2-CZ 4.38Å; A115-F689 HydrophobicContact CB-CD1 3.93Å; A115-F689 HydrophobicContact CB-CE1 3.67Å; H208-F689 HydrophobicContact CB-CD1 3.9Å; H208-F689 HydrophobicContact CB-CE1 4.13Å; H208-F689 AromaticContact CG-CD1 3.95Å; L209-F689 HydrophobicContact CD2-CE1 4.36Å; L209-F689 HydrophobicContact CD2-CE2 4Å; L209-F689 HydrophobicContact CD2-CZ 3.81Å; V218-F689 HydrophobicContact CG2-CE2 4.26Å; L685-F689 HydrophobicContact CD2-CE2 4.34Å; L685-F689 WeakPolarHBondContact O-CD2 3.24Å; L685-F689 PolarHBondContact O-N 3.5Å
690P59.4Low48.9Very low49 Ų4984.5 Ų84.532%0.31848%0.484SS..  trans-78.4131.8-170.6-1430.4000112.7P207P207-P690 HydrophobicContact CB-CG 4.26Å; P207-P690 HydrophobicContact CG-CG 4.28Å
691H57.1Low47.8Very low94 Ų9487.4 Ų87.444%0.43550%0.496SS..  trans-65.9133.1-177.8-62.5-38.7000114.7E111 E693E111-H691 WeakPolarHBondContact OE2-CA 3.38Å; E111-H691 IonicContact OE2-CG 2.84Å; E111-H691 IonicContact OE2-ND1 2.7Å; E111-H691 PolarHBondContact OE2-ND1 2.8Å; E111-H691 VanDerWaalsContact OE2-ND1 3.11Å; H691-E693 VanDerWaalsContact C-N 3.33Å; H691-E693 PolarHBondContact O-N 2.89Å
692S38.6Very low46.9Very low96 Ų9693.3 Ų93.367%0.67152%0.522SS*.  trans-87.855.7178.349.10000113.1P694S692-P694 WeakPolarHBondContact O-CD 3.44Å
693E33.3Very low45.6Very low177 Ų17797.5 Ų97.583%0.82755%0.552SS**  trans-75.2120.3-179.9-163.6170.6-124.700111.8H691H691-E693 VanDerWaalsContact C-N 3.33Å; H691-E693 PolarHBondContact O-N 2.89Å
694P32.4Very low44.4Very low113 Ų113104.4 Ų104.473%0.73458%0.575SS**  trans-76.4127.3-176.129.7-34000111.8S692 S696S692-P694 WeakPolarHBondContact O-CD 3.44Å; P694-S696 PolarHBondContact O-N 3.14Å
695Q29.8Very low43Very low199 Ų199108.8 Ų108.893%0.9360%0.601SS**  trans-67105.2178.8-69.5-172.9-29.800112.2
696S29Very low41.6Very low102 Ų102116.1 Ų116.171%0.71364%0.641SS**  trans-81127.9169.2450000111.3P694P694-S696 PolarHBondContact O-N 3.14Å
697P37.1Very low39.9Very low125 Ų125117.4 Ų117.481%0.81267%0.667SS**  trans-10482.2-172.737.6-33.5000114.2
698T32.5Very low38.3Very low128 Ų128117.2 Ų117.279%0.78568%0.68SS**  trans-157.1147.7168.119.40000108.3
699E32Very low36.7Very low170 Ų170127 Ų12779%0.79472%0.723SS**  cis-133.2160.98.1-56.2176.3117.100110.5
700D30Very low34.9Very low172 Ų172135.2 Ų135.292%0.9276%0.764SS**  trans179.9115.4140.5-104.7-18.4000108.3
701T31.7Very low33.5Very low118 Ų118135.8 Ų135.872%0.72478%0.779SS**  trans-134134.7-167-29.20000112.1
702E34.3Very low32.2Very low186 Ų186137.9 Ų137.987%0.86980%0.798SS**  trans70153.8168-34.6-167.3167.900115.7
703S32.4Very low31.9Very low101 Ų101139.2 Ų139.271%0.70680%0.798SS**  cis-148.9150.99540000115.2
704E34.5Very low32.1Very low180 Ų180139.7 Ų139.784%0.84180%0.797SS**  trans67.6133.7140-77.2-154.5117.900127.8
705V35.1Very low32.2Very low117 Ų117144.4 Ų144.471%0.70981%0.806SS**  trans86.295.9136.3173.30000122.3
706D32.3Very low32Very low167 Ų167142.4 Ų142.489%0.89380%0.802SS**  52.8144.1129.1-153.518000123.3
707G30.5Very low32.2Very low73 Ų73149 Ų14975%0.75381%0.811SS**  trans146.990.7177.700000113.4
708G30.8Very low31.8Very low73 Ų73148.4 Ų148.475%0.75381%0.81SS**  trans-92.2173-165.700000119.3
709K30Very low31.7Very low206 Ų206152.8 Ų152.890%0.89681%0.812SS**  trans93.1100.7166.1-67.6-178.8171.9174.80120.6
710M29.7Very low31.5Very low193 Ų193153.3 Ų153.395%0.95182%0.819SS**  66.1113.3122-167.672.896.700120.4
711G29.5Very low31.6Very low62 Ų62153.5 Ų153.564%0.63981%0.812SS**  trans166.299.115900000117.6
712T31.2Very low31.2Very low138 Ų138156.5 Ų156.585%0.84782%0.822SS**  trans39123.4148.353.60000123
713D32.3Very low30.9Very low124 Ų124153.1 Ų153.166%0.66382%0.819SS**  trans60.9117.6142.4-88.4-69000123.9
714K37.8Very low30.9Very low187 Ų187153.5 Ų153.581%0.81382%0.822SS**  trans58.8116.4139-68.5175.1-175.6103.30120.3
715K33.8Very low30.7Very low212 Ų212155 Ų15592%0.92283%0.826SS**  trans-57.4132.9177.5-72.5175.9174.1173.70114
716N26.2Very low30.3Very low157 Ų157152.9 Ų152.984%0.8483%0.828SS**  trans-92138.5153.6-170.7-0.2000108.4
717R31.5Very low30Very low240 Ų240151.5 Ų151.591%0.90683%0.825SS**  trans-134.7127.1168.4-154.9175.8-167.3-179.94109.6
718S29.3Very low29.9Very low112 Ų112153.7 Ų153.778%0.78383%0.826SS**PPolyproline II helixtrans-81.8148.1-163.339.50000113.9
719R31.5Very low29.6Very low221 Ų221159.5 Ų159.583%0.83483%0.831SS**PPolyproline II helixtrans-83.3128.8172.6-61.2159.373.2176.48.7109.2
720L27.5Very low29.4Very low180 Ų180158.1 Ų158.194%0.94283%0.83SS**PPolyproline II helixtrans-97.4132.2157.7-79.8170.2000109.2
721K30.7Very low29.2Very low177 Ų177156 Ų15677%0.7782%0.823SS**PPolyproline II helixtrans-102.3131175.5-65176.9178.2178.50108.6
722L25.1Very low29.1Very low180 Ų180156.2 Ų156.294%0.94283%0.825SS**PPolyproline II helixtrans-77.1137.5158.2-79.1165.6000109.2
723S26.5Very low28.9Very low115 Ų115154.4 Ų154.480%0.80482%0.818SS**PPolyproline II helixtrans-99.3124.9-169.6-176.10000111.5
724S32.2Very low28.8Very low110 Ų110156.9 Ų156.977%0.76983%0.826SS**PPolyproline II helixtrans-89.3117.6175.748.60000111.9
725K31.3Very low28.4Very low210 Ų210156 Ų15691%0.91383%0.828SS**  trans-178.6125.2160.5-103.6158.4-174.8-179.50108.8
726G27.1Very low28.1Very low74 Ų74157 Ų15776%0.76383%0.826SS**  cis179.2158.4-8.300000111.2
727V25.7Very low28Very low137 Ų137154.6 Ų154.683%0.8382%0.819SS**  trans-126.5144.3171.3176.30000107.2
728P29.1Very low27.8Very low119 Ų119149 Ų14977%0.77381%0.814SS**  trans-70.2141.6-163.9-21.234.2000114.6M730P728-M730 PolarHBondContact O-N 3.34Å
729F24Very low27.6Very low195 Ų195149.6 Ų149.686%0.85581%0.812SS**  trans-65.7124.9156-101.8-103.7000109.3
730M24.9Very low27.2Very low178 Ų178143.1 Ų143.188%0.87780%0.801SS**  trans-102.4102.1146.6-83.5-130.767.400107.4P728P728-M730 PolarHBondContact O-N 3.34Å
731N27Very low27.1Very low148 Ų148143.2 Ų143.279%0.79179%0.794SS**  trans-84.5112.2167.8-168.819.3000108
732G26.6Very low26.8Very low67 Ų67140.3 Ų140.369%0.69179%0.791SS**  trans-133.1115.4177.200000108.8
733S27.4Very low26.9Very low100 Ų100140.7 Ų140.770%0.69978%0.78SS**  trans-71140.3-173.548.60000112.9
734E29.1Very low26.9Very low176 Ų176139.9 Ų139.982%0.82277%0.767SS**  trans46.2112.3144.4-59179.9133.100118.8
735I30.1Very low26.8Very low167 Ų167143.1 Ų143.186%0.85677%0.77SS**  -169.1112.5101.8-87.2148.9000108.3
736R27.6Very low26.5Very low233 Ų233137.3 Ų137.388%0.87975%0.752SS**  trans-143.8143.2154.8-74.8-166.9175.3-176.7-2.4107.2
737P25Very low26.4Very low108 Ų108137.4 Ų137.470%0.70174%0.741SS**  trans-66150.5-178.228.6-35.2000110.9V739P737-V739 PolarHBondContact O-N 2.68Å
738P26Very low26.6Very low122 Ų122134.5 Ų134.579%0.79272%0.724SS**  trans-71.3100.5176.529.8-33.6000109.9S740P738-S740 PolarHBondContact O-N 2.97Å
739V26.3Very low26.5Very low124 Ų124134.3 Ų134.375%0.75272%0.72SS**  trans-7388152.1-179.50000105.8P737 F741P737-V739 PolarHBondContact O-N 2.68Å; V739-F741 PolarHBondContact O-N 2.96Å; V739-F741 VanDerWaalsContact O-N 3.11Å
740S22.2Very low26.7Very low86 Ų86131.8 Ų131.860%0.60171%0.709SS**  trans-63.1110.3171.750.50000108.4P738 V742P738-S740 PolarHBondContact O-N 2.97Å; S740-V742 PolarHBondContact O-N 3.48Å
741F25.5Very low27.4Very low181 Ų181130.9 Ų130.979%0.79471%0.708SS**  trans-66.479.1157.1-86.3-92.3000108V739 W743V739-F741 PolarHBondContact O-N 2.96Å; V739-F741 VanDerWaalsContact O-N 3.11Å; F741-W743 PolarHBondContact O-N 3.38Å
742V24.3Very low27.7Very low116 Ų116126.7 Ų126.770%0.70370%0.699SS**  trans-70.185.2155.4-178.70000104.9S740 D744S740-V742 PolarHBondContact O-N 3.48Å; V742-D744 PolarHBondContact O-N 3.22Å
743W28Very low27.9Very low188 Ų188127.9 Ų127.971%0.71269%0.688SS**  trans-72.182.5163.8-168.8-74.2000106.7F741 S747F741-W743 PolarHBondContact O-N 3.38Å; W743-S747 WeakPolarHBondContact CZ2-OG 3.4Å
744D25.3Very low28.6Very low98 Ų98126.3 Ų126.352%0.52467%0.674SS.*  trans-59.9139.2167.7-172.226.3000108.4V742 T746V742-D744 PolarHBondContact O-N 3.22Å; D744-T746 PolarHBondContact O-N 2.9Å; D744-T746 VanDerWaalsContact OD2-CG2 3.27Å; D744-T746 WeakPolarHBondContact OD2-CG2 3.32Å; D744-T746 PolarHBondContact OD2-OG1 3.31Å
745Q29.6Very low29Very low178 Ų178124.7 Ų124.783%0.83267%0.67SS**THydrogen-bonded Turntrans-81.132.9-167.9-66.4-174.5-27.600112.4
746T25.5Very low29.5Very low88 Ų88122 Ų12254%0.5466%0.661SS.*THydrogen-bonded Turntrans-125.4-7.3-163.455.70000113.4D744 T748D744-T746 PolarHBondContact O-N 2.9Å; D744-T746 VanDerWaalsContact OD2-CG2 3.27Å; D744-T746 WeakPolarHBondContact OD2-CG2 3.32Å; D744-T746 PolarHBondContact OD2-OG1 3.31Å; T746-T748 PolarHBondContact O-N 3.28Å
747S25.5Very low30.1Very low76 Ų76114.8 Ų114.853%0.53164%0.64SS.*  trans-76.567.9179.369.40000112.5W743W743-S747 WeakPolarHBondContact CZ2-OG 3.4Å
748T29.1Very low30.7Very low77 Ų77113.3 Ų113.347%0.47263%0.626SS.*  trans-73.5131.7175.756.40000111.5T746T746-T748 PolarHBondContact O-N 3.28Å
749V28.7Very low31.5Very low114 Ų114114.1 Ų114.169%0.69162%0.619SS**SBendtrans-102.4136159.3-174.40000107.3
750F28Very low32.2Very low143 Ų143110.9 Ų110.963%0.62761%0.606SS**SBendtrans69116.4-165.6-58-80.3000115.6G752F750-G752 VanDerWaalsContact C-N 3.33Å; F750-G752 PolarHBondContact O-N 2.83Å
751N39.4Very low32.9Very low159 Ų159111.9 Ų111.985%0.8560%0.6SS**SBendtrans53.714.7154.4-65.7-7.2000121.5M753N751-M753 PolarHBondContact O-N 3.44Å; N751-M753 VanDerWaalsContact O-N 3.1Å
752G33.3Very low33.6Very low59 Ų59107.2 Ų107.261%0.60858%0.582SS**SBendtrans62.130.1147.300000117.5F750F750-G752 VanDerWaalsContact C-N 3.33Å; F750-G752 PolarHBondContact O-N 2.83Å
753M30.3Very low34.4Very low93 Ų93105.5 Ų105.546%0.45857%0.572SS.*  trans-129.2139.1167.8-76.2-179.7161.800108.6N751 D757 L758 F761N751-M753 PolarHBondContact O-N 3.44Å; N751-M753 VanDerWaalsContact O-N 3.1Å; M753-D757 HydrophobicContact CB-CB 4.42Å; M753-L758 HydrophobicContact SD-CD1 4.33Å; M753-F761 HydrophobicContact CE-CB 4.49Å; M753-F761 HydrophobicContact CE-CD2 3.93Å; M753-F761 HydrophobicContact CE-CE2 4.35Å; M753-F761 HydrophobicContact CE-CG 4.11Å
754T42Very low35.1Very low66 Ų66101.6 Ų101.641%0.40556%0.562SS.*  trans-75.8162.716776.10000110.1V756 D757 L758T754-V756 PolarHBondContact O-N 3.37Å; T754-V756 VanDerWaalsContact O-N 3.14Å; T754-V756 PolarHBondContact OG1-N 3.11Å; T754-D757 VanDerWaalsContact CB-OD2 3.22Å; T754-D757 WeakPolarHBondContact CB-OD2 3.35Å; T754-D757 VanDerWaalsContact CG2-OD2 3.3Å; T754-D757 WeakPolarHBondContact CG2-OD2 3.49Å; T754-D757 PolarHBondContact N-OD2 2.95Å; T754-D757 PolarHBondContact O-N 3.45Å; T754-D757 VanDerWaalsContact O-N 3.11Å; T754-D757 PolarHBondContact OG1-N 3.42Å; T754-D757 PolarHBondContact OG1-OD2 3.45Å; T754-L758 PolarHBondContact O-N 2.86Å
755L37.5Very low35.8Very low143 Ų143101.3 Ų101.375%0.74956%0.557SS**Hα-helixtrans-56.6-29.7175.8-169.468.8000112.5Q759L755-Q759 PolarHBondContact O-N 3.23Å
756V40.6Very low36.2Very low109 Ų10999.7 Ų99.766%0.66155%0.549SS*.Hα-helixtrans-76.7-41.8177.9-176.30000110.9T754 Q759 A760T754-V756 PolarHBondContact O-N 3.37Å; T754-V756 VanDerWaalsContact O-N 3.14Å; T754-V756 PolarHBondContact OG1-N 3.11Å; V756-Q759 PolarHBondContact O-N 3.25Å; V756-A760 WeakPolarHBondContact O-CB 3.49Å; V756-A760 PolarHBondContact O-N 2.96Å
757D39.8Very low36.7Very low83 Ų83101.4 Ų101.444%0.44455%0.549SS..Hα-helixtrans-65.5-40.8176.6-53.1-52.4000111.3M753 T754 Q759 A760 F761M753-D757 HydrophobicContact CB-CB 4.42Å; T754-D757 VanDerWaalsContact CB-OD2 3.22Å; T754-D757 WeakPolarHBondContact CB-OD2 3.35Å; T754-D757 VanDerWaalsContact CG2-OD2 3.3Å; T754-D757 WeakPolarHBondContact CG2-OD2 3.49Å; T754-D757 PolarHBondContact N-OD2 2.95Å; T754-D757 PolarHBondContact O-N 3.45Å; T754-D757 VanDerWaalsContact O-N 3.11Å; T754-D757 PolarHBondContact OG1-N 3.42Å; T754-D757 PolarHBondContact OG1-OD2 3.45Å; D757-Q759 VanDerWaalsContact C-N 3.33Å; D757-Q759 PolarHBondContact O-N 3.02Å; D757-A760 PolarHBondContact O-N 3.26Å; D757-F761 VanDerWaalsContact O-CB 3.24Å; D757-F761 WeakPolarHBondContact O-CB 3.17Å; D757-F761 PolarHBondContact O-N 3.4Å
758L38.8Very low37Very low77 Ų77101.4 Ų101.440%0.40355%0.549SS..Hα-helixtrans-58.9-45175.3-177.667.6000111.2M753 T754 F761 I762M753-L758 HydrophobicContact SD-CD1 4.33Å; T754-L758 PolarHBondContact O-N 2.86Å; L758-F761 PolarHBondContact O-N 3.42Å; L758-I762 HydrophobicContact CD1-CD1 4.28Å; L758-I762 HydrophobicContact CG-CD1 4.09Å; L758-I762 WeakPolarHBondContact O-CD1 3.26Å; L758-I762 VanDerWaalsContact O-CG1 3.29Å; L758-I762 WeakPolarHBondContact O-CG1 3.45Å; L758-I762 PolarHBondContact O-N 3.42Å
759Q40.9Very low37.1Very low138 Ų138102.1 Ų102.165%0.64556%0.557SS**Hα-helixtrans-70.6-36179.4-166.1165.522.300112.2L755 V756 D757 T763L755-Q759 PolarHBondContact O-N 3.23Å; V756-Q759 PolarHBondContact O-N 3.25Å; D757-Q759 VanDerWaalsContact C-N 3.33Å; D757-Q759 PolarHBondContact O-N 3.02Å; Q759-T763 WeakPolarHBondContact O-CB 3.4Å; Q759-T763 PolarHBondContact O-N 2.74Å; Q759-T763 VanDerWaalsContact O-N 3.16Å; Q759-T763 PolarHBondContact O-OG1 3.04Å
760A41.5Very low37.3Very low57 Ų57104 Ų10447%0.47156%0.562SS.*Hα-helixtrans-66-42.1172.600000112.2V756 D757 T763 E764V756-A760 WeakPolarHBondContact O-CB 3.49Å; V756-A760 PolarHBondContact O-N 2.96Å; D757-A760 PolarHBondContact O-N 3.26Å; A760-T763 PolarHBondContact O-N 3.11Å; A760-E764 PolarHBondContact O-N 2.6Å
761F37Very low37.6Very low107 Ų107105.5 Ų105.547%0.46957%0.569SS.*Hα-helixtrans-60.8-50.8177.7-176.1-90.7000111.4M753 D757 L758 T763 E764 E765M753-F761 HydrophobicContact CE-CB 4.49Å; M753-F761 HydrophobicContact CE-CD2 3.93Å; M753-F761 HydrophobicContact CE-CE2 4.35Å; M753-F761 HydrophobicContact CE-CG 4.11Å; D757-F761 VanDerWaalsContact O-CB 3.24Å; D757-F761 WeakPolarHBondContact O-CB 3.17Å; D757-F761 PolarHBondContact O-N 3.4Å; L758-F761 PolarHBondContact O-N 3.42Å; F761-T763 VanDerWaalsContact C-N 3.26Å; F761-T763 PolarHBondContact O-N 3.26Å; F761-E764 PolarHBondContact O-N 3.33Å; F761-E765 WeakPolarHBondContact CE1-OE2 3.42Å; F761-E765 WeakPolarHBondContact O-CB 3.22Å; F761-E765 PolarHBondContact O-N 3.48Å
762I41.5Very low37Very low82 Ų82107.4 Ų107.442%0.42157%0.573SS.*Hα-helixtrans-58.2-40.1176.4-67.6164.6000111.1L758 E765 E766L758-I762 HydrophobicContact CD1-CD1 4.28Å; L758-I762 HydrophobicContact CG-CD1 4.09Å; L758-I762 WeakPolarHBondContact O-CD1 3.26Å; L758-I762 VanDerWaalsContact O-CG1 3.29Å; L758-I762 WeakPolarHBondContact O-CG1 3.45Å; L758-I762 PolarHBondContact O-N 3.42Å; I762-E765 PolarHBondContact O-N 3.24Å; I762-E766 PolarHBondContact O-N 2.94Å
763T40.4Very low37Very low80 Ų80109.2 Ų109.249%0.49158%0.582SS.*Hα-helixtrans-69.7-32.2-179.4-52.70000112.8Q759 A760 F761 K767Q759-T763 WeakPolarHBondContact O-CB 3.4Å; Q759-T763 PolarHBondContact O-N 2.74Å; Q759-T763 VanDerWaalsContact O-N 3.16Å; Q759-T763 PolarHBondContact O-OG1 3.04Å; A760-T763 PolarHBondContact O-N 3.11Å; F761-T763 VanDerWaalsContact C-N 3.26Å; F761-T763 PolarHBondContact O-N 3.26Å; T763-K767 VanDerWaalsContact O-CB 3.32Å; T763-K767 WeakPolarHBondContact O-CB 3.24Å
764E41.8Very low36.9Very low107 Ų107114 Ų11450%0.560%0.603SS.*Hα-helixtrans-79.6-31.7170.6-69.4-62.112000112.3A760 F761 K767 S768A760-E764 PolarHBondContact O-N 2.6Å; F761-E764 PolarHBondContact O-N 3.33Å; E764-K767 CarbonylContact O-C 3.35Å; E764-K767 WeakPolarHBondContact O-CB 3.41Å; E764-K767 PolarHBondContact O-N 2.72Å; E764-K767 VanDerWaalsContact O-N 3.16Å; E764-K767 WeakPolarHBondContact OE1-CD 3.33Å; E764-K767 IonicContact OE1-NZ 2.71Å; E764-K767 PolarHBondContact OE1-NZ 2.7Å; E764-K767 IonicContact OE2-NZ 3.5Å; E764-K767 PolarHBondContact OE2-NZ 3.28Å; E764-S768 PolarHBondContact O-N 3.25Å; E764-S768 PolarHBondContact O-OG 3.19Å
765E39.7Very low36.1Very low92 Ų92120 Ų12043%0.4363%0.629SS.*Hα-helixtrans-68.3-42.1179.2-169173-157.600112.4F761 I762 K767 S768 S769F761-E765 WeakPolarHBondContact CE1-OE2 3.42Å; F761-E765 WeakPolarHBondContact O-CB 3.22Å; F761-E765 PolarHBondContact O-N 3.48Å; I762-E765 PolarHBondContact O-N 3.24Å; E765-K767 PolarHBondContact O-N 3.19Å; E765-S768 WeakPolarHBondContact CA-OG 3.47Å; E765-S768 PolarHBondContact O-N 3.01Å; E765-S768 PolarHBondContact O-OG 3.31Å; E765-S769 WeakPolarHBondContact O-CB 3.4Å; E765-S769 PolarHBondContact O-N 3.04Å; E765-S769 PolarHBondContact O-OG 3.16Å
766E38.4Very low35.7Very low143 Ų143122.3 Ų122.367%0.66864%0.636SS**Hα-helixtrans-59.9-33.4170-75.7-161.5126.600112I762 S769I762-E766 PolarHBondContact O-N 2.94Å; E766-S769 PolarHBondContact O-N 3.42Å
767K36.8Very low34.9Very low125 Ų125121.2 Ų121.254%0.54365%0.646SS.*Hα-helixtrans-81-30-175.5-175.7-168.4178.3-158.40112.6T763 E764 E765T763-K767 VanDerWaalsContact O-CB 3.32Å; T763-K767 WeakPolarHBondContact O-CB 3.24Å; E764-K767 CarbonylContact O-C 3.35Å; E764-K767 WeakPolarHBondContact O-CB 3.41Å; E764-K767 PolarHBondContact O-N 2.72Å; E764-K767 VanDerWaalsContact O-N 3.16Å; E764-K767 WeakPolarHBondContact OE1-CD 3.33Å; E764-K767 IonicContact OE1-NZ 2.71Å; E764-K767 PolarHBondContact OE1-NZ 2.7Å; E764-K767 IonicContact OE2-NZ 3.5Å; E764-K767 PolarHBondContact OE2-NZ 3.28Å; E765-K767 PolarHBondContact O-N 3.19Å
768S31.5Very low34.1Very low75 Ų75120.3 Ų120.352%0.52466%0.657SS.*Hα-helixtrans-75-33.7165.947.70000112.6E764 E765 L770 K771E764-S768 PolarHBondContact O-N 3.25Å; E764-S768 PolarHBondContact O-OG 3.19Å; E765-S768 WeakPolarHBondContact CA-OG 3.47Å; E765-S768 PolarHBondContact O-N 3.01Å; E765-S768 PolarHBondContact O-OG 3.31Å; S768-L770 PolarHBondContact O-N 2.85Å; S768-K771 PolarHBondContact O-N 2.98Å
769S32.1Very low33.6Very low92 Ų92123.3 Ų123.364%0.64368%0.681SS**THydrogen-bonded Turntrans-60.8-12.1-177.9-65.60000114.9E765 E766E765-S769 WeakPolarHBondContact O-CB 3.4Å; E765-S769 PolarHBondContact O-N 3.04Å; E765-S769 PolarHBondContact O-OG 3.16Å; E766-S769 PolarHBondContact O-N 3.42Å
770L32.6Very low32.9Very low153 Ų153123.1 Ų123.180%0.80169%0.689SS**THydrogen-bonded Turntrans-92.53.7174.5-76.7166.2000114.3S768S768-L770 PolarHBondContact O-N 2.85Å
771K33.6Very low32.2Very low176 Ų176128.3 Ų128.377%0.76571%0.708SS**SBendtrans-144.974.3179.6-72.3-172.7175.8-178.90113.9S768S768-K771 PolarHBondContact O-N 2.98Å
772E26.7Very low31.8Very low198 Ų198126.6 Ų126.693%0.92572%0.721SS**  trans-161.8116.5141.4-117.6158.5-145.400112
773A33.3Very low31.1Very low97 Ų97131.4 Ų131.480%0.80274%0.741SS**  trans-159.471175.100000110.8
774E28.3Very low30.7Very low195 Ų195135 Ų13591%0.91175%0.746SS**  trans-169.8161.4155.1-114.6166.7-15500113
775M25.5Very low30Very low190 Ų190134.5 Ų134.594%0.93676%0.76SS**  trans84.1134.4167.2-153.9159.5176.300119.1
776E28.2Very low29.3Very low193 Ų193133 Ų13390%0.90277%0.769SS**  trans-109.3163.1-173.4-58.8-177.6113.400113.6
777G25Very low29Very low85 Ų85131 Ų13188%0.87677%0.77SS**  trans117.996.4137.100000118.1
778G22.7Very low28.6Very low65 Ų65135.4 Ų135.467%0.6778%0.783SS**  trans-178.7145.6167.400000113.4
779P28Very low29Very low139 Ų139135.9 Ų135.990%0.90380%0.8SS**PPolyproline II helixtrans-82.1118.5-175.631.5-33.5000112.6
780V25.9Very low28.8Very low134 Ų134138.3 Ų138.381%0.81280%0.8SS**PPolyproline II helixtrans-85.7118.7-179.4177.80000111.9
781L27.1Very low28.9Very low166 Ų166135 Ų13587%0.86980%0.803SS**PPolyproline II helixtrans-74.8123.5157.7-168.574000107.8Q783L781-Q783 PolarHBondContact O-N 3.49Å
782G28.8Very low28.6Very low72 Ų72132.6 Ų132.674%0.74280%0.803SS**  trans-69.1100.2-169.200000113.4
783Q25.9Very low28.9Very low183 Ų183134.8 Ų134.886%0.85580%0.803SS**  trans-90.6116.5178.8-158.116926.400109.8L781L781-Q783 PolarHBondContact O-N 3.49Å
784W33.3Very low28.6Very low155 Ų155134 Ų13459%0.58780%0.796SS**  trans-85.2107.6165.3-782.9000108.2
785A26.1Very low28.5Very low96 Ų96133.9 Ų133.979%0.79379%0.793SS**  trans-72.8140.8164.800000109.2
786G26.5Very low28.8Very low60 Ų60134.5 Ų134.562%0.61979%0.793SS**  trans-65.3174-177.700000114.3R788G786-R788 PolarHBondContact O-N 3.35Å
787C31.6Very low28.9Very low102 Ų102131.8 Ų131.869%0.68978%0.784SS**SBendtrans-35.191.7-172.4-62.20000116.5
788R28.4Very low29.4Very low218 Ų218131.4 Ų131.482%0.82377%0.768SS**  trans-135.4130.7156.9-84.4-171.8-179.8-117.8-4.8110.3G786 H790G786-R788 PolarHBondContact O-N 3.35Å; R788-H790 PolarHBondContact O-N 2.89Å
789G40.3Very low30.3Very low84 Ų84131.8 Ų131.887%0.86677%0.765SS**  trans-73.9113.6168.500000110.5
790H27.3Very low31.6Very low143 Ų143127.9 Ų127.966%0.66275%0.75SS**  trans-120.7118.1158-89.5-90.9000109R788 V792R788-H790 PolarHBondContact O-N 2.89Å; H790-V792 VanDerWaalsContact C-N 3.25Å; H790-V792 PolarHBondContact O-N 2.99Å
791G33.7Very low33.2Very low83 Ų83127.9 Ų127.986%0.85674%0.741SS**  trans-71.278.8172.700000111.1R793G791-R793 PolarHBondContact O-N 3.32Å
792V27.8Very low35.7Very low126 Ų126121.6 Ų121.676%0.76471%0.708SS**  trans-63.9102.3172.51790000108.3H790 A794H790-V792 VanDerWaalsContact C-N 3.25Å; H790-V792 PolarHBondContact O-N 2.99Å; V792-A794 PolarHBondContact O-N 2.91Å
793R32.3Very low38.2Very low245 Ų245120.4 Ų120.493%0.92569%0.688SS**  trans-71.174.5174.3-170179.4-176.6174.72.2110G791G791-R793 PolarHBondContact O-N 3.32Å
794A28.3Very low41.1Very low79 Ų79111.9 Ų111.965%0.65365%0.649SS**  trans-55.9145.3173.600000110.4V792V792-A794 PolarHBondContact O-N 2.91Å
795K25.5Very low43.6Very low194 Ų194104.6 Ų104.684%0.84362%0.621SS**  trans-65.1157.5170.5-71.2176.1177.9172.90109.7D797K795-D797 PolarHBondContact O-N 3.49Å
796H32.4Very low46.5Very low203 Ų203105.8 Ų105.894%0.9461%0.608SS**SBendtrans-63.796.4176.2-99.1-88.6000111.4
797D30.3Very low49.5Very low136 Ų136104 Ų10473%0.72759%0.585SS**  trans-116.5158.4157.3-77.1-50000108.4K795 A799K795-D797 PolarHBondContact O-N 3.49Å; D797-A799 PolarHBondContact O-N 2.89Å
798S35.3Very low52.2Low76 Ų76100.1 Ų100.153%0.53156%0.561SS.*G310 helixtrans-68.514.6179.654.50000115G800 E801S798-G800 PolarHBondContact O-N 3.46Å; S798-G800 VanDerWaalsContact O-N 3.14Å; S798-E801 PolarHBondContact O-N 3.27Å
799A42.6Very low55Low74 Ų7490.5 Ų90.561%0.61253%0.525SS*.G310 helixtrans-66.7-11.5-178.700000114.6D797D797-A799 PolarHBondContact O-N 2.89Å
800G53.6Low57.4Low57 Ų5788.4 Ų88.459%0.58849%0.494SS*.G310 helixtrans-70.3-26.6178.300000114.6S798 M802S798-G800 PolarHBondContact O-N 3.46Å; S798-G800 VanDerWaalsContact O-N 3.14Å; G800-M802 VanDerWaalsContact C-N 3.3Å; G800-M802 PolarHBondContact O-N 2.7Å
801E61.3Low60.4Low133 Ų13382.7 Ų82.762%0.62147%0.468SS*.G310 helixtrans-75.5-11.7-168.8-61.6-17615400114.7S798S798-E801 PolarHBondContact O-N 3.27Å
802M77.6Confident62.9Low34 Ų3482.2 Ų82.217%0.16745%0.446CS..G310 helixtrans-137.331.1-179.1-65.4165.3-7700112.7L57 G800 Q804 A805 K806 T838 N841L57-M802 HydrophobicContact CD1-CE 3.36Å; L57-M802 HydrophobicContact CD1-SD 4.26Å; L57-M802 HydrophobicContact CD2-CE 3.62Å; L57-M802 HydrophobicContact CD2-SD 4.02Å; L57-M802 HydrophobicContact CG-CE 4.14Å; G800-M802 VanDerWaalsContact C-N 3.3Å; G800-M802 PolarHBondContact O-N 2.7Å; M802-Q804 PolarHBondContact O-N 2.82Å; M802-A805 HydrophobicContact CB-CB 4.38Å; M802-A805 PolarHBondContact O-N 2.92Å; M802-K806 VanDerWaalsContact O-CB 3.29Å; M802-K806 WeakPolarHBondContact O-CB 3.2Å; M802-K806 PolarHBondContact O-N 3.47Å; M802-T838 HydrophobicContact CG-CG2 4.4Å; M802-T838 HydrophobicContact SD-CG2 3.83Å; M802-N841 WeakPolarHBondContact CA-OD1 3.24Å
803S82.3Confident65.7Low48 Ų4877 Ų7734%0.33642%0.415SS..Hα-helixtrans-56.2-50.4-178.852.20000112.3Q137 K806 V807Q137-S803 PolarHBondContact OE1-O 3.42Å; S803-K806 WeakPolarHBondContact O-CB 3.33Å; S803-K806 PolarHBondContact O-N 3.23Å; S803-V807 PolarHBondContact O-N 3.49Å
804Q85.9Confident68.3Low4 Ų466.9 Ų66.92%0.01938%0.379CS..Hα-helixtrans-66.7-45.9-178.6-57.9161.6-37.400111K133 Q137 L140 M802 K806 V807 A808 N841 L844 D845K133-Q804 VanDerWaalsContact CA-NE2 3.27Å; K133-Q804 PolarHBondContact O-NE2 3.23Å; Q137-Q804 HydrophobicContact CB-CG 4.34Å; L140-Q804 HydrophobicContact CD1-CB 4.37Å; M802-Q804 PolarHBondContact O-N 2.82Å; Q804-K806 VanDerWaalsContact C-N 3.32Å; Q804-K806 PolarHBondContact O-N 2.91Å; Q804-V807 PolarHBondContact O-N 2.88Å; Q804-V807 VanDerWaalsContact O-N 3.12Å; Q804-A808 WeakPolarHBondContact O-CB 3.38Å; Q804-A808 PolarHBondContact O-N 2.98Å; Q804-N841 PolarHBondContact N-OD1 3.08Å; Q804-N841 PolarHBondContact OE1-ND2 2.9Å; Q804-L844 HydrophobicContact CB-CD1 3.9Å; Q804-D845 PolarHBondContact OE1-OD1 2.95Å
805A86.6Confident71Confident1 Ų164.4 Ų64.41%0.00836%0.355CS..Hα-helixtrans-61.2-38.4177.400000112.8M802 V807 L809 G837 I840 N841M802-A805 HydrophobicContact CB-CB 4.38Å; M802-A805 PolarHBondContact O-N 2.92Å; A805-V807 VanDerWaalsContact C-N 3.32Å; A805-V807 PolarHBondContact O-N 3.25Å; A805-L809 VanDerWaalsContact O-CB 3.3Å; A805-L809 WeakPolarHBondContact O-CB 3.45Å; A805-L809 VanDerWaalsContact O-CG 3.32Å; A805-L809 WeakPolarHBondContact O-CG 3.4Å; A805-L809 PolarHBondContact O-N 3.2Å; A805-G837 WeakPolarHBondContact CB-O 3.39Å; A805-I840 HydrophobicContact CB-CB 3.96Å; A805-I840 HydrophobicContact CB-CG2 3.72Å; A805-N841 HydrophobicContact CB-CB 3.9Å; A805-N841 PolarHBondContact N-OD1 3.12Å; A805-N841 VanDerWaalsContact N-OD1 3.14Å
806K87.4Confident73.7Confident121 Ų12155.7 Ų55.753%0.52632%0.317SS..Hα-helixtrans-60.2-41.3174177.5-174.8175.2-173.10111.5M802 S803 Q804 N810M802-K806 VanDerWaalsContact O-CB 3.29Å; M802-K806 WeakPolarHBondContact O-CB 3.2Å; M802-K806 PolarHBondContact O-N 3.47Å; S803-K806 WeakPolarHBondContact O-CB 3.33Å; S803-K806 PolarHBondContact O-N 3.23Å; Q804-K806 VanDerWaalsContact C-N 3.32Å; Q804-K806 PolarHBondContact O-N 2.91Å; K806-N810 PolarHBondContact O-N 3.26Å; K806-N810 PolarHBondContact O-ND2 3.39Å; K806-N810 PolarHBondContact O-OD1 2.92Å; K806-N810 VanDerWaalsContact O-OD1 3.09Å
807V89.8Confident76.1Confident22 Ų2251.4 Ų51.413%0.13330%0.296CS..Hα-helixtrans-75.4-45.9179.2173.20000111.6L140 N141 S803 Q804 A805 L809 N810 I811L140-V807 HydrophobicContact CB-CG1 3.89Å; N141-V807 VanDerWaalsContact OD1-CG1 3.28Å; N141-V807 WeakPolarHBondContact OD1-CG1 3.43Å; N141-V807 WeakPolarHBondContact OD1-CG2 3.38Å; S803-V807 PolarHBondContact O-N 3.49Å; Q804-V807 PolarHBondContact O-N 2.88Å; Q804-V807 VanDerWaalsContact O-N 3.12Å; A805-V807 VanDerWaalsContact C-N 3.32Å; A805-V807 PolarHBondContact O-N 3.25Å; V807-L809 VanDerWaalsContact C-N 3.29Å; V807-L809 PolarHBondContact O-N 3.31Å; V807-N810 WeakPolarHBondContact O-CA 3.47Å; V807-N810 WeakPolarHBondContact O-CB 3.35Å; V807-N810 PolarHBondContact O-N 3.12Å; V807-I811 HydrophobicContact CG1-CD1 4.12Å; V807-I811 HydrophobicContact CG1-CG1 4.49Å; V807-I811 WeakPolarHBondContact O-CG1 3.49Å; V807-I811 PolarHBondContact O-N 3.06Å
808A88.4Confident78.6Confident21 Ų2149.9 Ų49.917%0.17429%0.285CS..Hα-helixtrans-56.6-42.2175.700000112.2L140 Q804 N810 I811 L812 L844L140-A808 HydrophobicContact CD1-CB 4.43Å; Q804-A808 WeakPolarHBondContact O-CB 3.38Å; Q804-A808 PolarHBondContact O-N 2.98Å; A808-N810 VanDerWaalsContact C-N 3.31Å; A808-N810 PolarHBondContact O-N 3.35Å; A808-I811 PolarHBondContact O-N 3.37Å; A808-L812 WeakPolarHBondContact O-CB 3.35Å; A808-L812 PolarHBondContact O-N 3.28Å; A808-L844 HydrophobicContact CB-CD1 3.83Å
809L87.4Confident80.8Confident16 Ų1647.8 Ų47.88%0.08427%0.266CS..Hα-helixtrans-65.7-29.7173.7-76.2169.9000113.4A805 V807 L812 C813 V832 R833 I840A805-L809 VanDerWaalsContact O-CB 3.3Å; A805-L809 WeakPolarHBondContact O-CB 3.45Å; A805-L809 VanDerWaalsContact O-CG 3.32Å; A805-L809 WeakPolarHBondContact O-CG 3.4Å; A805-L809 PolarHBondContact O-N 3.2Å; V807-L809 VanDerWaalsContact C-N 3.29Å; V807-L809 PolarHBondContact O-N 3.31Å; L809-L812 HydrophobicContact CD2-CD2 4.35Å; L809-C813 WeakPolarHBondContact O-CB 3.26Å; L809-C813 PolarHBondContact O-N 3.21Å; L809-C813 PolarHBondContact O-SG 3.32Å; L809-V832 HydrophobicContact CD1-CG1 4.09Å; L809-V832 HydrophobicContact CD2-CG1 3.71Å; L809-R833 HydrophobicContact CD1-CG 3.56Å; L809-I840 HydrophobicContact CD1-CD1 3.97Å; L809-I840 HydrophobicContact CD2-CD1 3.84Å; L809-I840 HydrophobicContact CG-CD1 4.01Å
810N89.4Confident82.5Confident40 Ų4045.2 Ų45.221%0.21424%0.241CC..Hα-helixtrans-70.1-44.1173.5-66.8-9.8000111.2K806 V807 A808 C813 L814 R833K806-N810 PolarHBondContact O-N 3.26Å; K806-N810 PolarHBondContact O-ND2 3.39Å; K806-N810 PolarHBondContact O-OD1 2.92Å; K806-N810 VanDerWaalsContact O-OD1 3.09Å; V807-N810 WeakPolarHBondContact O-CA 3.47Å; V807-N810 WeakPolarHBondContact O-CB 3.35Å; V807-N810 PolarHBondContact O-N 3.12Å; A808-N810 VanDerWaalsContact C-N 3.31Å; A808-N810 PolarHBondContact O-N 3.35Å; N810-C813 CarbonylContact O-C 3.58Å; N810-C813 WeakPolarHBondContact O-CB 3.32Å; N810-C813 PolarHBondContact O-N 3.36Å; N810-C813 VanDerWaalsContact O-N 3.17Å; N810-L814 PolarHBondContact O-N 3.16Å; N810-R833 PolarHBondContact OD1-NH2 2.98Å
811I90.3Very high83.8Confident23 Ų2346.7 Ų46.712%0.11824%0.242CC..Hα-helixtrans-61.5-45.8176.4-58.2166.5000110.2L140 L147 V807 A808 C813 L814 L815L140-I811 HydrophobicContact CB-CD1 4.11Å; L140-I811 HydrophobicContact CD2-CD1 4Å; L140-I811 WeakPolarHBondContact O-CD1 3.3Å; L147-I811 HydrophobicContact CD2-CG2 4.02Å; V807-I811 HydrophobicContact CG1-CD1 4.12Å; V807-I811 HydrophobicContact CG1-CG1 4.49Å; V807-I811 WeakPolarHBondContact O-CG1 3.49Å; V807-I811 PolarHBondContact O-N 3.06Å; A808-I811 PolarHBondContact O-N 3.37Å; I811-C813 VanDerWaalsContact C-N 3.29Å; I811-C813 PolarHBondContact O-N 3.38Å; I811-L814 WeakPolarHBondContact O-CB 3.41Å; I811-L814 PolarHBondContact O-N 2.87Å; I811-L815 PolarHBondContact O-N 2.77Å
812L86.1Confident84.7Confident73 Ų7346.2 Ų46.238%0.38224%0.235SC..Hα-helixtrans-58.2-42.4174.4-175.862.6000111.1A808 L809 L814 L815 M816A808-L812 WeakPolarHBondContact O-CB 3.35Å; A808-L812 PolarHBondContact O-N 3.28Å; L809-L812 HydrophobicContact CD2-CD2 4.35Å; L812-L814 VanDerWaalsContact C-N 3.33Å; L812-L814 PolarHBondContact O-N 3.02Å; L812-L815 PolarHBondContact O-N 3.33Å; L812-M816 HydrophobicContact CD1-CG 4.1Å; L812-M816 HydrophobicContact CD1-SD 3.59Å; L812-M816 VanDerWaalsContact CD1-SD 3.59Å; L812-M816 HydrophobicContact CD2-SD 4.23Å; L812-M816 HydrophobicContact CG-CG 4.37Å; L812-M816 HydrophobicContact CG-SD 3.61Å; L812-M816 VanDerWaalsContact O-CB 3.26Å; L812-M816 WeakPolarHBondContact O-CB 3.12Å; L812-M816 WeakPolarHBondContact O-CG 3.39Å; L812-M816 PolarHBondContact O-N 2.8Å
813C86.4Confident84.5Confident18 Ų1846.5 Ų46.512%0.12224%0.237CC..Hα-helixtrans-66.5-28.8174.5-71.10000113.9L809 N810 I811 K817 C824 Q829L809-C813 WeakPolarHBondContact O-CB 3.26Å; L809-C813 PolarHBondContact O-N 3.21Å; L809-C813 PolarHBondContact O-SG 3.32Å; N810-C813 CarbonylContact O-C 3.58Å; N810-C813 WeakPolarHBondContact O-CB 3.32Å; N810-C813 PolarHBondContact O-N 3.36Å; N810-C813 VanDerWaalsContact O-N 3.17Å; I811-C813 VanDerWaalsContact C-N 3.29Å; I811-C813 PolarHBondContact O-N 3.38Å; C813-K817 WeakPolarHBondContact O-CB 3.27Å; C813-K817 PolarHBondContact O-N 2.99Å; C813-K817 VanDerWaalsContact O-N 3.07Å; C813-C824 HydrophobicContact CB-CB 4.3Å; C813-C824 PolarHBondContact O-SG 3.36Å; C813-Q829 PolarHBondContact SG-NE2 3.44Å
814L87.6Confident84.5Confident32 Ų3245.5 Ų45.517%0.16823%0.229CC..Hα-helixtrans-67.4-48.8172.6-71.7169.7000110.6L147 Q148 L151 N810 I811 L812 M816 K817L147-L814 HydrophobicContact CD2-CB 4.05Å; Q148-L814 HydrophobicContact CB-CD1 4.12Å; L151-L814 HydrophobicContact CD1-CB 4.45Å; N810-L814 PolarHBondContact O-N 3.16Å; I811-L814 WeakPolarHBondContact O-CB 3.41Å; I811-L814 PolarHBondContact O-N 2.87Å; L812-L814 VanDerWaalsContact C-N 3.33Å; L812-L814 PolarHBondContact O-N 3.02Å; L814-M816 VanDerWaalsContact C-N 3.31Å; L814-M816 PolarHBondContact O-N 3.26Å; L814-K817 WeakPolarHBondContact O-CB 3.37Å; L814-K817 PolarHBondContact O-N 2.83Å
815L84.9Confident84.4Confident27 Ų2747.8 Ų47.814%0.14125%0.246CC..Hα-helixtrans-60.3-38.1175.7-68.9176.5000113L147 I811 L812 A922L147-L815 HydrophobicContact CD1-CD2 3.76Å; L147-L815 HydrophobicContact CD2-CD2 3.51Å; L147-L815 HydrophobicContact CD2-CG 3.65Å; L147-L815 HydrophobicContact CG-CD2 4.27Å; I811-L815 PolarHBondContact O-N 2.77Å; L812-L815 PolarHBondContact O-N 3.33Å; L815-A922 HydrophobicContact CD1-CB 4.2Å; L815-A922 HydrophobicContact CD2-CB 3.7Å
816M82Confident84Confident11 Ų1156.4 Ų56.45%0.05428%0.283CS..Hα-helixtrans-87.5-7.8-175.9-66.6-176.586.400114L812 L814 E818 Q819 W820 L823 L910L812-M816 HydrophobicContact CD1-CG 4.1Å; L812-M816 HydrophobicContact CD1-SD 3.59Å; L812-M816 VanDerWaalsContact CD1-SD 3.59Å; L812-M816 HydrophobicContact CD2-SD 4.23Å; L812-M816 HydrophobicContact CG-CG 4.37Å; L812-M816 HydrophobicContact CG-SD 3.61Å; L812-M816 VanDerWaalsContact O-CB 3.26Å; L812-M816 WeakPolarHBondContact O-CB 3.12Å; L812-M816 WeakPolarHBondContact O-CG 3.39Å; L812-M816 PolarHBondContact O-N 2.8Å; L814-M816 VanDerWaalsContact C-N 3.31Å; L814-M816 PolarHBondContact O-N 3.26Å; M816-E818 PolarHBondContact O-N 3.38Å; M816-Q819 PolarHBondContact O-N 3.01Å; M816-Q819 VanDerWaalsContact O-N 3.12Å; M816-W820 HydrophobicContact CB-CE3 3.82Å; M816-W820 HydrophobicContact CB-CZ3 4.28Å; M816-W820 HydrophobicContact CE-CD2 3.93Å; M816-W820 HydrophobicContact CE-CE3 3.29Å; M816-W820 HydrophobicContact CE-CH2 4.23Å; M816-W820 HydrophobicContact CE-CZ3 3.45Å; M816-W820 VanDerWaalsContact CE-CZ3 3.45Å; M816-W820 HydrophobicContact CG-CE3 3.84Å; M816-W820 HydrophobicContact CG-CZ3 3.86Å; M816-W820 PolarHBondContact O-N 3.14Å; M816-W820 HydrophobicContact SD-CE3 4.43Å; M816-L823 HydrophobicContact CE-CD2 3.33Å; M816-L823 HydrophobicContact SD-CD2 3.81Å; M816-L910 HydrophobicContact CE-CD2 3.45Å; M816-L910 VanDerWaalsContact CE-CD2 3.45Å; M816-L910 HydrophobicContact CE-CG 4.17Å
817K83.1Confident83.6Confident112 Ų11254.3 Ų54.349%0.48728%0.278SS..THydrogen-bonded Turntrans-55.3-47.8-171-175.7-172.1168.3-155.40113.6C813 L814 S821C813-K817 WeakPolarHBondContact O-CB 3.27Å; C813-K817 PolarHBondContact O-N 2.99Å; C813-K817 VanDerWaalsContact O-N 3.07Å; L814-K817 WeakPolarHBondContact O-CB 3.37Å; L814-K817 PolarHBondContact O-N 2.83Å; K817-S821 WeakPolarHBondContact O-CA 3.43Å; K817-S821 WeakPolarHBondContact O-CB 3.34Å; K817-S821 PolarHBondContact O-N 3.32Å
818E81.9Confident83.1Confident105 Ų10553.9 Ų53.949%0.49127%0.274SS..THydrogen-bonded Turntrans-67.9-35.5180-66.4-169.916000112K158 M816K158-E818 IonicContact NZ-OE1 3.63Å; M816-E818 PolarHBondContact O-N 3.38Å
819Q82.7Confident82.6Confident31 Ų3154.7 Ų54.715%0.14528%0.275CS..THydrogen-bonded Turntrans-93.9-34.9-166.8-57.3-50-42.300113.6M816 K914 L917M816-Q819 PolarHBondContact O-N 3.01Å; M816-Q819 VanDerWaalsContact O-N 3.12Å; Q819-K914 HydrophobicContact CB-CB 4.2Å; Q819-K914 HydrophobicContact CB-CD 4.34Å; Q819-K914 HydrophobicContact CB-CG 4.46Å; Q819-K914 HydrophobicContact CG-CB 4.47Å; Q819-K914 PolarHBondContact O-NZ 3.33Å; Q819-L917 VanDerWaalsContact NE2-CD2 3.32Å
820W78.9Confident82.2Confident20 Ų2059.2 Ų59.28%0.07629%0.291CS..  trans-142.658.6-179.2-50.4-86.9000111.5M816 W822 L823 C824 L910 K914 S918M816-W820 HydrophobicContact CB-CE3 3.82Å; M816-W820 HydrophobicContact CB-CZ3 4.28Å; M816-W820 HydrophobicContact CE-CD2 3.93Å; M816-W820 HydrophobicContact CE-CE3 3.29Å; M816-W820 HydrophobicContact CE-CH2 4.23Å; M816-W820 HydrophobicContact CE-CZ3 3.45Å; M816-W820 VanDerWaalsContact CE-CZ3 3.45Å; M816-W820 HydrophobicContact CG-CE3 3.84Å; M816-W820 HydrophobicContact CG-CZ3 3.86Å; M816-W820 PolarHBondContact O-N 3.14Å; M816-W820 HydrophobicContact SD-CE3 4.43Å; W820-W822 PolarHBondContact O-N 2.98Å; W820-L823 HydrophobicContact CB-CB 4.08Å; W820-L823 WeakPolarHBondContact O-CA 3.37Å; W820-L823 WeakPolarHBondContact O-CB 3.5Å; W820-L823 PolarHBondContact O-N 2.69Å; W820-C824 PolarHBondContact O-N 3.09Å; W820-L910 HydrophobicContact CH2-CB 4.07Å; W820-L910 HydrophobicContact CH2-CD2 4.02Å; W820-L910 HydrophobicContact CH2-CG 4.28Å; W820-L910 HydrophobicContact CZ2-CB 3.5Å; W820-L910 VanDerWaalsContact CZ2-CB 3.5Å; W820-L910 HydrophobicContact CZ2-CD2 4.19Å; W820-L910 HydrophobicContact CZ2-CG 3.94Å; W820-L910 WeakPolarHBondContact CZ2-O 3.33Å; W820-L910 HydrophobicContact CZ3-CD2 4.41Å; W820-L910 PolarHBondContact NE1-O 3.12Å; W820-K914 VanDerWaalsContact CH2-C 3.47Å; W820-K914 HydrophobicContact CH2-CB 3.77Å; W820-K914 WeakPolarHBondContact CH2-O 3.44Å; W820-K914 HydrophobicContact CZ2-CB 3.25Å; W820-K914 HydrophobicContact CZ2-CD 4.2Å; W820-K914 HydrophobicContact CZ2-CG 4.38Å; W820-S918 WeakPolarHBondContact CZ3-OG 3.29Å
821S80.4Confident81.6Confident88 Ų8857.5 Ų57.562%0.61528%0.282SS*.THydrogen-bonded Turntrans-49.2-28.4176.459.50000114.8K817 C824 S825K817-S821 WeakPolarHBondContact O-CA 3.43Å; K817-S821 WeakPolarHBondContact O-CB 3.34Å; K817-S821 PolarHBondContact O-N 3.32Å; S821-C824 WeakPolarHBondContact O-CB 3.32Å; S821-C824 PolarHBondContact O-N 3.12Å; S821-S825 PolarHBondContact O-N 3.18Å
822W79.4Confident81.1Confident123 Ų12357.9 Ų57.947%0.46629%0.285SS..THydrogen-bonded Turntrans-62.5-40.6173.274.3-95.9000112.7W45 W820 C824 S825 I828W45-W822 HydrophobicContact CH2-CD2 4.37Å; W45-W822 HydrophobicContact CH2-CE3 4.13Å; W45-W822 HydrophobicContact CZ3-CD2 4.21Å; W45-W822 AromaticContact CZ3-CE3 3.54Å; W45-W822 HydrophobicContact CZ3-CE3 3.54Å; W45-W822 AromaticContact CZ3-CZ3 3.9Å; W45-W822 HydrophobicContact CZ3-CZ3 3.9Å; W820-W822 PolarHBondContact O-N 2.98Å; W822-C824 PolarHBondContact O-N 2.95Å; W822-S825 VanDerWaalsContact O-CB 3.22Å; W822-S825 WeakPolarHBondContact O-CB 3.23Å; W822-S825 PolarHBondContact O-N 3.15Å; W822-S825 VanDerWaalsContact O-N 3.11Å; W822-S825 PolarHBondContact O-OG 3.24Å; W822-I828 HydrophobicContact CZ3-CG1 4.21Å; W822-I828 VanDerWaalsContact O-CG2 3.26Å; W822-I828 WeakPolarHBondContact O-CG2 3.44Å
823L74.2Confident81Confident41 Ų4157.2 Ų57.222%0.21528%0.277CS..THydrogen-bonded Turntrans-69.9-21177.4-168.768.8000111.4M816 W820 S825 I828M816-L823 HydrophobicContact CE-CD2 3.33Å; M816-L823 HydrophobicContact SD-CD2 3.81Å; W820-L823 HydrophobicContact CB-CB 4.08Å; W820-L823 WeakPolarHBondContact O-CA 3.37Å; W820-L823 WeakPolarHBondContact O-CB 3.5Å; W820-L823 PolarHBondContact O-N 2.69Å; L823-S825 VanDerWaalsContact C-N 3.32Å; L823-I828 HydrophobicContact CD1-CG1 4.12Å; L823-I828 WeakPolarHBondContact O-CG2 3.43Å
824C82.6Confident80.7Confident26 Ų2657.7 Ų57.718%0.17628%0.279CS..THydrogen-bonded Turntrans-86.81.3174.2-51.90000113C813 W820 S821 W822 Q829C813-C824 HydrophobicContact CB-CB 4.3Å; C813-C824 PolarHBondContact O-SG 3.36Å; W820-C824 PolarHBondContact O-N 3.09Å; S821-C824 WeakPolarHBondContact O-CB 3.32Å; S821-C824 PolarHBondContact O-N 3.12Å; W822-C824 PolarHBondContact O-N 2.95Å; C824-Q829 PolarHBondContact O-NE2 3.34Å
825S83.6Confident80.2Confident53 Ų5356.4 Ų56.437%0.37127%0.272SS..SBendtrans-70148.6179.570.20000112.7S821 W822 L823 N827 I828 Q829S821-S825 PolarHBondContact O-N 3.18Å; W822-S825 VanDerWaalsContact O-CB 3.22Å; W822-S825 WeakPolarHBondContact O-CB 3.23Å; W822-S825 PolarHBondContact O-N 3.15Å; W822-S825 VanDerWaalsContact O-N 3.11Å; W822-S825 PolarHBondContact O-OG 3.24Å; L823-S825 VanDerWaalsContact C-N 3.32Å; S825-N827 PolarHBondContact O-N 3.17Å; S825-N827 VanDerWaalsContact O-N 3.17Å; S825-I828 WeakPolarHBondContact O-CG2 3.39Å; S825-I828 PolarHBondContact O-N 3.01Å; S825-I828 VanDerWaalsContact OG-CG2 3.29Å; S825-I828 WeakPolarHBondContact OG-CG2 3.43Å; S825-Q829 WeakPolarHBondContact O-CB 3.43Å; S825-Q829 WeakPolarHBondContact O-CG 3.36Å; S825-Q829 PolarHBondContact O-N 3.32Å
826K78.6Confident80Confident181 Ų18158.8 Ų58.879%0.78728%0.281SS*.Hα-helixtrans-57.3-35.2-175.3-67.1-177.5179.21790113R830K826-R830 WeakPolarHBondContact O-CB 3.49Å; K826-R830 PolarHBondContact O-N 3.35Å; K826-R830 VanDerWaalsContact O-N 3.16Å
827N78.4Confident80.1Confident77 Ų7758.4 Ų58.441%0.41228%0.28SS..Hα-helixtrans-69-55.6-179.7-68.117.4000111.4G44 S825 Q829 R830 T831G44-N827 WeakPolarHBondContact O-CB 3.49Å; G44-N827 PolarHBondContact O-ND2 2.99Å; S825-N827 PolarHBondContact O-N 3.17Å; S825-N827 VanDerWaalsContact O-N 3.17Å; N827-Q829 VanDerWaalsContact C-N 3.34Å; N827-Q829 PolarHBondContact O-N 2.82Å; N827-R830 WeakPolarHBondContact O-CA 3.39Å; N827-R830 WeakPolarHBondContact O-CB 3.49Å; N827-R830 PolarHBondContact O-N 3Å; N827-T831 PolarHBondContact O-N 3.05Å; N827-T831 PolarHBondContact O-OG1 3.26Å
828I77.9Confident80.1Confident13 Ų1353.5 Ų53.57%0.06726%0.26CS..Hα-helixtrans-67.7-34.5-177.4-166.464.7000111.6V41 W822 L823 S825 R830 T831 V832V41-I828 HydrophobicContact CB-CD1 4.34Å; V41-I828 HydrophobicContact CG1-CD1 3.8Å; V41-I828 HydrophobicContact CG2-CD1 3.95Å; W822-I828 HydrophobicContact CZ3-CG1 4.21Å; W822-I828 VanDerWaalsContact O-CG2 3.26Å; W822-I828 WeakPolarHBondContact O-CG2 3.44Å; L823-I828 HydrophobicContact CD1-CG1 4.12Å; L823-I828 WeakPolarHBondContact O-CG2 3.43Å; S825-I828 WeakPolarHBondContact O-CG2 3.39Å; S825-I828 PolarHBondContact O-N 3.01Å; S825-I828 VanDerWaalsContact OG-CG2 3.29Å; S825-I828 WeakPolarHBondContact OG-CG2 3.43Å; I828-R830 VanDerWaalsContact C-N 3.27Å; I828-R830 PolarHBondContact O-N 3.17Å; I828-T831 PolarHBondContact O-N 2.83Å; I828-V832 HydrophobicContact CG1-CG2 4.35Å; I828-V832 WeakPolarHBondContact O-CB 3.43Å; I828-V832 VanDerWaalsContact O-CG2 3.31Å; I828-V832 WeakPolarHBondContact O-CG2 3.44Å; I828-V832 PolarHBondContact O-N 3.16Å
829Q78.8Confident80.1Confident38 Ų3849.8 Ų49.818%0.17824%0.243CC..Hα-helixtrans-59.2-38.7169.9-73.6-172.10.700112.1C813 C824 S825 N827 R833C813-Q829 PolarHBondContact SG-NE2 3.44Å; C824-Q829 PolarHBondContact O-NE2 3.34Å; S825-Q829 WeakPolarHBondContact O-CB 3.43Å; S825-Q829 WeakPolarHBondContact O-CG 3.36Å; S825-Q829 PolarHBondContact O-N 3.32Å; N827-Q829 VanDerWaalsContact C-N 3.34Å; N827-Q829 PolarHBondContact O-N 2.82Å; Q829-R833 WeakPolarHBondContact O-CB 3.29Å; Q829-R833 VanDerWaalsContact O-CG 3.24Å; Q829-R833 WeakPolarHBondContact O-CG 3.36Å; Q829-R833 PolarHBondContact O-N 3.14Å
830R78.9Confident80.2Confident111 Ų11150.2 Ų50.242%0.41925%0.245SC..Hα-helixtrans-68.9-42.1176.3-170.9172.7177.4154.70110.7L52 K826 N827 I828 R833 L834L52-R830 HydrophobicContact CD2-CB 3.99Å; L52-R830 HydrophobicContact CD2-CG 3.96Å; L52-R830 PolarHBondContact O-NE 2.94Å; L52-R830 PolarHBondContact O-NH2 2.81Å; K826-R830 WeakPolarHBondContact O-CB 3.49Å; K826-R830 PolarHBondContact O-N 3.35Å; K826-R830 VanDerWaalsContact O-N 3.16Å; N827-R830 WeakPolarHBondContact O-CA 3.39Å; N827-R830 WeakPolarHBondContact O-CB 3.49Å; N827-R830 PolarHBondContact O-N 3Å; I828-R830 VanDerWaalsContact C-N 3.27Å; I828-R830 PolarHBondContact O-N 3.17Å; R830-R833 PolarHBondContact O-N 3Å; R830-L834 HydrophobicContact CG-CD1 4.26Å; R830-L834 WeakPolarHBondContact O-CB 3.33Å; R830-L834 VanDerWaalsContact O-CG 3.29Å; R830-L834 WeakPolarHBondContact O-CG 3.47Å; R830-L834 PolarHBondContact O-N 3.36Å
831T77.8Confident80.6Confident5 Ų549.7 Ų49.73%0.03124%0.244CC..Hα-helixtrans-61.9-45.2173.3-55.30000112.3L40 V41 N827 I828 R833 L834 L835L40-T831 HydrophobicContact CB-CG2 4.38Å; V41-T831 HydrophobicContact CG2-CG2 3.83Å; N827-T831 PolarHBondContact O-N 3.05Å; N827-T831 PolarHBondContact O-OG1 3.26Å; I828-T831 PolarHBondContact O-N 2.83Å; T831-R833 PolarHBondContact O-N 3.2Å; T831-L834 PolarHBondContact O-N 2.59Å; T831-L835 HydrophobicContact CG2-CD1 3.78Å; T831-L835 HydrophobicContact CG2-CG 4.22Å; T831-L835 WeakPolarHBondContact O-CB 3.38Å; T831-L835 WeakPolarHBondContact O-CG 3.37Å; T831-L835 PolarHBondContact O-N 2.88Å
832V80Confident80.9Confident31 Ų3150 Ų5019%0.18823%0.232CC..Hα-helixtrans-63.8-39.3177.2171.20000111.3L809 I828 F836 G837L809-V832 HydrophobicContact CD1-CG1 4.09Å; L809-V832 HydrophobicContact CD2-CG1 3.71Å; I828-V832 HydrophobicContact CG1-CG2 4.35Å; I828-V832 WeakPolarHBondContact O-CB 3.43Å; I828-V832 VanDerWaalsContact O-CG2 3.31Å; I828-V832 WeakPolarHBondContact O-CG2 3.44Å; I828-V832 PolarHBondContact O-N 3.16Å; V832-F836 HydrophobicContact CG1-CD2 4.3Å; V832-F836 WeakPolarHBondContact O-CA 3.22Å; V832-F836 WeakPolarHBondContact O-CB 3.3Å; V832-F836 PolarHBondContact O-N 3.18Å; V832-G837 PolarHBondContact O-N 3.29Å
833R82.3Confident81.1Confident58 Ų5849.9 Ų49.922%0.21923%0.232CC..Hα-helixtrans-65-39.5172.4-72176.7-163.2114.41112.5L809 N810 Q829 R830 T831 G837L809-R833 HydrophobicContact CD1-CG 3.56Å; N810-R833 PolarHBondContact OD1-NH2 2.98Å; Q829-R833 WeakPolarHBondContact O-CB 3.29Å; Q829-R833 VanDerWaalsContact O-CG 3.24Å; Q829-R833 WeakPolarHBondContact O-CG 3.36Å; Q829-R833 PolarHBondContact O-N 3.14Å; R830-R833 PolarHBondContact O-N 3Å; T831-R833 PolarHBondContact O-N 3.2Å; R833-G837 WeakPolarHBondContact O-CA 3.5Å; R833-G837 PolarHBondContact O-N 3Å
834L81.6Confident81.7Confident29 Ų2948.8 Ų48.815%0.15223%0.226CC..Hα-helixtrans-70.3-36.3178.5-72.7168.8000113.3L57 V58 R830 T831L57-L834 HydrophobicContact CD2-CD2 4Å; V58-L834 PolarHBondContact N-O 3.02Å; V58-L834 VanDerWaalsContact N-O 3.11Å; R830-L834 HydrophobicContact CG-CD1 4.26Å; R830-L834 WeakPolarHBondContact O-CB 3.33Å; R830-L834 VanDerWaalsContact O-CG 3.29Å; R830-L834 WeakPolarHBondContact O-CG 3.47Å; R830-L834 PolarHBondContact O-N 3.36Å; T831-L834 PolarHBondContact O-N 2.59Å
835L75.6Confident81.9Confident4 Ų449.1 Ų49.12%0.02123%0.226CC..Hα-helixtrans-84.3-47-179.4-69.1178.6000113.2L40 V41 V58 L60 T831L40-L835 HydrophobicContact CD1-CD2 3.79Å; V41-L835 HydrophobicContact CG2-CD1 4.4Å; V58-L835 HydrophobicContact CG2-CD2 3.98Å; L60-L835 WeakPolarHBondContact CD1-O 3.22Å; L60-L835 WeakPolarHBondContact CG-O 3.44Å; T831-L835 HydrophobicContact CG2-CD1 3.78Å; T831-L835 HydrophobicContact CG2-CG 4.22Å; T831-L835 WeakPolarHBondContact O-CB 3.38Å; T831-L835 WeakPolarHBondContact O-CG 3.37Å; T831-L835 PolarHBondContact O-N 2.88Å
836F80.6Confident82Confident78 Ų7846.8 Ų46.834%0.34221%0.209SC..Hα-helixtrans-117.5-5-168.8-56-80.1000113.4L60 V832 T838 L839 I840L60-F836 HydrophobicContact CD1-CD1 3.51Å; L60-F836 HydrophobicContact CD1-CE1 3.61Å; L60-F836 HydrophobicContact CD1-CG 4.38Å; V832-F836 HydrophobicContact CG1-CD2 4.3Å; V832-F836 WeakPolarHBondContact O-CA 3.22Å; V832-F836 WeakPolarHBondContact O-CB 3.3Å; V832-F836 PolarHBondContact O-N 3.18Å; F836-T838 PolarHBondContact O-N 2.88Å; F836-L839 HydrophobicContact CD1-CD2 4.26Å; F836-L839 PolarHBondContact O-N 3.14Å; F836-I840 HydrophobicContact CB-CD1 3.9Å; F836-I840 HydrophobicContact CB-CG1 4.34Å; F836-I840 WeakPolarHBondContact O-CB 2.9Å; F836-I840 VanDerWaalsContact O-CG1 3.25Å; F836-I840 WeakPolarHBondContact O-CG1 3.4Å; F836-I840 PolarHBondContact O-N 2.93Å
837G84.3Confident82.2Confident2 Ų239.8 Ų39.82%0.02118%0.183CC..Hα-helixtrans-59.7-42.2-173.900000113.7A805 V832 R833 N841A805-G837 WeakPolarHBondContact CB-O 3.39Å; V832-G837 PolarHBondContact O-N 3.29Å; R833-G837 WeakPolarHBondContact O-CA 3.5Å; R833-G837 PolarHBondContact O-N 3Å; G837-N841 PolarHBondContact O-N 3Å
838T83.9Confident82.6Confident10 Ų1037.6 Ų37.66%0.06117%0.172CC..Hα-helixtrans-68.8-44.7177.891.50000110.8L57 E61 M802 F836 I840 N841 R842L57-T838 HydrophobicContact CB-CG2 4.17Å; E61-T838 VanDerWaalsContact CD-OG1 3.24Å; E61-T838 WeakPolarHBondContact OE2-CB 3.46Å; E61-T838 PolarHBondContact OE2-OG1 3.47Å; M802-T838 HydrophobicContact CG-CG2 4.4Å; M802-T838 HydrophobicContact SD-CG2 3.83Å; F836-T838 PolarHBondContact O-N 2.88Å; T838-I840 PolarHBondContact O-N 3.43Å; T838-N841 PolarHBondContact O-N 3.32Å; T838-R842 PolarHBondContact O-N 3.46Å
839L81.4Confident82.9Confident27 Ų2737.5 Ų37.514%0.14117%0.174CC..Hα-helixtrans-58.5-44.1175.5176.768.7000112.3L60 E61 I64 L66 F836 N841 R842 W843L60-L839 HydrophobicContact CB-CB 4.12Å; L60-L839 HydrophobicContact CB-CD2 4.16Å; L60-L839 HydrophobicContact CD1-CD2 4.45Å; E61-L839 HydrophobicContact CB-CD1 4.48Å; I64-L839 HydrophobicContact CB-CD1 4.15Å; I64-L839 HydrophobicContact CD1-CD1 3.98Å; I64-L839 HydrophobicContact CD1-CD2 3.79Å; I64-L839 HydrophobicContact CG2-CD1 4.47Å; L66-L839 HydrophobicContact CD1-CD1 4.13Å; F836-L839 HydrophobicContact CD1-CD2 4.26Å; F836-L839 PolarHBondContact O-N 3.14Å; L839-N841 VanDerWaalsContact C-N 3.31Å; L839-N841 PolarHBondContact O-N 2.94Å; L839-R842 PolarHBondContact O-N 3.23Å; L839-W843 VanDerWaalsContact O-CB 3.25Å; L839-W843 WeakPolarHBondContact O-CB 3.31Å; L839-W843 PolarHBondContact O-N 3.07Å
840I84.4Confident83.2Confident39 Ų3937.1 Ų37.120%0.217%0.173CC..Hα-helixtrans-64.7-38.1175.9-68.3164.1000110A805 L809 F836 T838 W843 L844A805-I840 HydrophobicContact CB-CB 3.96Å; A805-I840 HydrophobicContact CB-CG2 3.72Å; L809-I840 HydrophobicContact CD1-CD1 3.97Å; L809-I840 HydrophobicContact CD2-CD1 3.84Å; L809-I840 HydrophobicContact CG-CD1 4.01Å; F836-I840 HydrophobicContact CB-CD1 3.9Å; F836-I840 HydrophobicContact CB-CG1 4.34Å; F836-I840 WeakPolarHBondContact O-CB 2.9Å; F836-I840 VanDerWaalsContact O-CG1 3.25Å; F836-I840 WeakPolarHBondContact O-CG1 3.4Å; F836-I840 PolarHBondContact O-N 2.93Å; T838-I840 PolarHBondContact O-N 3.43Å; I840-W843 PolarHBondContact O-N 3.04Å; I840-L844 HydrophobicContact CG2-CD1 4.09Å; I840-L844 HydrophobicContact CG2-CG 4.5Å; I840-L844 WeakPolarHBondContact O-CB 3.08Å; I840-L844 VanDerWaalsContact O-CG 3.28Å; I840-L844 WeakPolarHBondContact O-CG 3.3Å; I840-L844 PolarHBondContact O-N 3.17Å
841N88.5Confident83.4Confident10 Ų1035.9 Ų35.95%0.05317%0.174CC..Hα-helixtrans-68-43.3176.5-146100000111.6M802 Q804 A805 G837 T838 L839 W843 L844 D845M802-N841 WeakPolarHBondContact CA-OD1 3.24Å; Q804-N841 PolarHBondContact N-OD1 3.08Å; Q804-N841 PolarHBondContact OE1-ND2 2.9Å; A805-N841 HydrophobicContact CB-CB 3.9Å; A805-N841 PolarHBondContact N-OD1 3.12Å; A805-N841 VanDerWaalsContact N-OD1 3.14Å; G837-N841 PolarHBondContact O-N 3Å; T838-N841 PolarHBondContact O-N 3.32Å; L839-N841 VanDerWaalsContact C-N 3.31Å; L839-N841 PolarHBondContact O-N 2.94Å; N841-W843 VanDerWaalsContact C-N 3.33Å; N841-W843 PolarHBondContact O-N 3.27Å; N841-L844 PolarHBondContact O-N 3.42Å; N841-D845 PolarHBondContact ND2-OD2 2.84Å; N841-D845 WeakPolarHBondContact O-CB 3.33Å; N841-D845 PolarHBondContact O-N 3.31Å
842R85.4Confident83.8Confident94 Ų9437.2 Ų37.236%0.35518%0.182SC..Hα-helixtrans-65.4-36175.6-177.959.4179.4149.86.6112E61 L66 T838 L839 V846E61-R842 HydrophobicContact CB-CB 4.05Å; E61-R842 HydrophobicContact CB-CG 4.16Å; L66-R842 HydrophobicContact CD1-CB 4.41Å; L66-R842 HydrophobicContact CD1-CG 3.99Å; T838-R842 PolarHBondContact O-N 3.46Å; L839-R842 PolarHBondContact O-N 3.23Å; R842-V846 WeakPolarHBondContact O-CB 3.47Å; R842-V846 VanDerWaalsContact O-CG2 3.31Å; R842-V846 WeakPolarHBondContact O-CG2 3.42Å; R842-V846 PolarHBondContact O-N 2.9Å
843W85Confident84.1Confident121 Ų12136 Ų3646%0.45818%0.175SC..Hα-helixtrans-66.1-47173.5178.984.4000111.5L66 L839 I840 N841 D845 V846 S847L66-W843 HydrophobicContact CD1-CB 4.04Å; L839-W843 VanDerWaalsContact O-CB 3.25Å; L839-W843 WeakPolarHBondContact O-CB 3.31Å; L839-W843 PolarHBondContact O-N 3.07Å; I840-W843 PolarHBondContact O-N 3.04Å; N841-W843 VanDerWaalsContact C-N 3.33Å; N841-W843 PolarHBondContact O-N 3.27Å; W843-D845 PolarHBondContact O-N 3.47Å; W843-V846 PolarHBondContact O-N 2.88Å; W843-S847 VanDerWaalsContact O-CB 3.26Å; W843-S847 WeakPolarHBondContact O-CB 3.46Å; W843-S847 PolarHBondContact O-N 3.01Å; W843-S847 PolarHBondContact O-OG 3.12Å
844L86.1Confident84.4Confident18 Ų1833.7 Ų33.79%0.09417%0.168CC..Hα-helixtrans-59.1-46.7173.7-73.2168000111.5L140 Q804 A808 I840 N841 V846 V848L140-L844 HydrophobicContact CD1-CD1 4.31Å; Q804-L844 HydrophobicContact CB-CD1 3.9Å; A808-L844 HydrophobicContact CB-CD1 3.83Å; I840-L844 HydrophobicContact CG2-CD1 4.09Å; I840-L844 HydrophobicContact CG2-CG 4.5Å; I840-L844 WeakPolarHBondContact O-CB 3.08Å; I840-L844 VanDerWaalsContact O-CG 3.28Å; I840-L844 WeakPolarHBondContact O-CG 3.3Å; I840-L844 PolarHBondContact O-N 3.17Å; N841-L844 PolarHBondContact O-N 3.42Å; L844-V846 PolarHBondContact O-N 2.97Å; L844-V848 WeakPolarHBondContact O-CB 3.43Å; L844-V848 WeakPolarHBondContact O-CG2 3.32Å; L844-V848 PolarHBondContact O-N 3Å
845D86.1Confident84.6Confident33 Ų3336.7 Ų36.718%0.17618%0.179CC..Hα-helixtrans-56.7-48.2176.4-80.5-38.7000112.2K133 Q804 N841 W843 A849K133-D845 WeakPolarHBondContact CE-OD1 3.4Å; K133-D845 IonicContact NZ-OD1 3.55Å; K133-D845 PolarHBondContact NZ-OD1 3.5Å; K133-D845 IonicContact NZ-OD2 3.8Å; K133-D845 PolarHBondContact NZ-OD2 3.03Å; Q804-D845 PolarHBondContact OE1-OD1 2.95Å; N841-D845 PolarHBondContact ND2-OD2 2.84Å; N841-D845 WeakPolarHBondContact O-CB 3.33Å; N841-D845 PolarHBondContact O-N 3.31Å; W843-D845 PolarHBondContact O-N 3.47Å; D845-A849 WeakPolarHBondContact O-CB 3.43Å; D845-A849 PolarHBondContact O-N 3.16Å
846V85.9Confident85Confident4 Ų439.1 Ų39.12%0.02419%0.188CC..Hα-helixtrans-72.4-44.8-178.91720000111.5L66 E67 Q68 R842 W843 L844 V848 A849 N850L66-V846 HydrophobicContact CB-CB 4.39Å; L66-V846 HydrophobicContact CB-CG1 4.31Å; L66-V846 HydrophobicContact CB-CG2 4.13Å; E67-V846 WeakPolarHBondContact O-CG1 3.49Å; Q68-V846 HydrophobicContact CB-CG1 4.23Å; R842-V846 WeakPolarHBondContact O-CB 3.47Å; R842-V846 VanDerWaalsContact O-CG2 3.31Å; R842-V846 WeakPolarHBondContact O-CG2 3.42Å; R842-V846 PolarHBondContact O-N 2.9Å; W843-V846 PolarHBondContact O-N 2.88Å; L844-V846 PolarHBondContact O-N 2.97Å; V846-V848 PolarHBondContact O-N 3.29Å; V846-A849 PolarHBondContact O-N 3.39Å; V846-N850 WeakPolarHBondContact O-CB 3.45Å; V846-N850 PolarHBondContact O-N 3.45Å; V846-N850 PolarHBondContact O-OD1 3Å
847S82.9Confident85.4Confident34 Ų3441 Ų4124%0.23819%0.194CC..Hα-helixtrans-61.2-42.6177.6-740000111.8W843 N850 L851W843-S847 VanDerWaalsContact O-CB 3.26Å; W843-S847 WeakPolarHBondContact O-CB 3.46Å; W843-S847 PolarHBondContact O-N 3.01Å; W843-S847 PolarHBondContact O-OG 3.12Å; S847-N850 PolarHBondContact O-N 3.36Å; S847-L851 WeakPolarHBondContact O-CB 2.89Å; S847-L851 VanDerWaalsContact O-CG 3.26Å; S847-L851 WeakPolarHBondContact O-CG 3.34Å; S847-L851 PolarHBondContact O-N 3.06Å
848V86.5Confident85.6Confident30 Ų3041.7 Ų41.718%0.18220%0.197CC..Hα-helixtrans-69.6-41.7174174.30000111.2R132 T136 L844 V846 N850 L851 T852R132-V848 HydrophobicContact CB-CG1 4.41Å; T136-V848 HydrophobicContact CG2-CG2 4.02Å; T136-V848 WeakPolarHBondContact OG1-CG1 3.38Å; L844-V848 WeakPolarHBondContact O-CB 3.43Å; L844-V848 WeakPolarHBondContact O-CG2 3.32Å; L844-V848 PolarHBondContact O-N 3Å; V846-V848 PolarHBondContact O-N 3.29Å; V848-N850 PolarHBondContact O-N 3.49Å; V848-L851 PolarHBondContact O-N 3.45Å; V848-T852 HydrophobicContact CG1-CG2 4.06Å; V848-T852 WeakPolarHBondContact O-CB 3.37Å; V848-T852 WeakPolarHBondContact O-CG2 3.49Å; V848-T852 PolarHBondContact O-N 2.63Å; V848-T852 PolarHBondContact O-OG1 3.34Å
849A86Confident85.6Confident11 Ų1143.2 Ų43.29%0.09121%0.206CC..Hα-helixtrans-60.1-35.2177.100000112.5Q68 R132 D845 V846 C853Q68-A849 HydrophobicContact CG-CB 4.1Å; R132-A849 PolarHBondContact NH1-O 2.85Å; D845-A849 WeakPolarHBondContact O-CB 3.43Å; D845-A849 PolarHBondContact O-N 3.16Å; V846-A849 PolarHBondContact O-N 3.39Å; A849-C853 WeakPolarHBondContact O-CB 3.44Å; A849-C853 PolarHBondContact O-N 2.89Å
850N84.4Confident85.7Confident30 Ų3045.2 Ų45.216%0.1621%0.213CC..Hα-helixtrans-71.3-53.8174.1-68.3-7.5000111E67 Q68 V69 V846 S847 V848 T852 C853 Y856E67-N850 PolarHBondContact O-ND2 2.84Å; Q68-N850 WeakPolarHBondContact CA-OD1 3.28Å; V69-N850 HydrophobicContact CG2-CB 4.38Å; V69-N850 PolarHBondContact N-OD1 2.97Å; V846-N850 WeakPolarHBondContact O-CB 3.45Å; V846-N850 PolarHBondContact O-N 3.45Å; V846-N850 PolarHBondContact O-OD1 3Å; S847-N850 PolarHBondContact O-N 3.36Å; V848-N850 PolarHBondContact O-N 3.49Å; N850-T852 PolarHBondContact O-N 3.44Å; N850-T852 VanDerWaalsContact O-N 3.16Å; N850-C853 WeakPolarHBondContact O-CB 3.48Å; N850-C853 PolarHBondContact O-N 3.22Å; N850-C853 PolarHBondContact O-SG 3.3Å; N850-C853 VanDerWaalsContact O-SG 3.37Å; N850-Y856 WeakPolarHBondContact O-CD2 3.44Å
851L82.6Confident85.7Confident85 Ų8545.1 Ų45.145%0.44521%0.212SC..Hα-helixtrans-59-27.7178.1-72.7168.2000113.5S847 V848 Y860S847-L851 WeakPolarHBondContact O-CB 2.89Å; S847-L851 VanDerWaalsContact O-CG 3.26Å; S847-L851 WeakPolarHBondContact O-CG 3.34Å; S847-L851 PolarHBondContact O-N 3.06Å; V848-L851 PolarHBondContact O-N 3.45Å; L851-Y860 WeakPolarHBondContact O-CE2 3.29Å; L851-Y860 PolarHBondContact O-OH 2.93Å
852T86.4Confident85.5Confident33 Ų3347.6 Ų47.620%0.20222%0.223CC..THydrogen-bonded Turntrans-100.39.117859.30000113.6R132 V848 N850 W857R132-T852 WeakPolarHBondContact CD-OG1 3.36Å; R132-T852 VanDerWaalsContact CZ-OG1 3.3Å; R132-T852 PolarHBondContact NE-OG1 2.55Å; R132-T852 PolarHBondContact NH1-OG1 3Å; R132-T852 VanDerWaalsContact NH1-OG1 3.09Å; R132-T852 PolarHBondContact NH2-O 2.82Å; V848-T852 HydrophobicContact CG1-CG2 4.06Å; V848-T852 WeakPolarHBondContact O-CB 3.37Å; V848-T852 WeakPolarHBondContact O-CG2 3.49Å; V848-T852 PolarHBondContact O-N 2.63Å; V848-T852 PolarHBondContact O-OG1 3.34Å; N850-T852 PolarHBondContact O-N 3.44Å; N850-T852 VanDerWaalsContact O-N 3.16Å; T852-W857 PolarHBondContact O-NE1 3.02Å
853C86.7Confident85.2Confident5 Ų545 Ų453%0.03422%0.218CC..SBendtrans-78.3154.6176.293.60000112.1A849 N850 K855 Y856 W857A849-C853 WeakPolarHBondContact O-CB 3.44Å; A849-C853 PolarHBondContact O-N 2.89Å; N850-C853 WeakPolarHBondContact O-CB 3.48Å; N850-C853 PolarHBondContact O-N 3.22Å; N850-C853 PolarHBondContact O-SG 3.3Å; N850-C853 VanDerWaalsContact O-SG 3.37Å; C853-K855 VanDerWaalsContact C-N 3.25Å; C853-K855 PolarHBondContact O-N 3.33Å; C853-Y856 PolarHBondContact O-N 2.63Å; C853-W857 PolarHBondContact O-N 3.49Å
854T88.3Confident84.8Confident11 Ų1143.8 Ų43.87%0.06722%0.219CC..Hα-helixtrans-53.5-39.7-172.8-460000112.9D75 E76 L79 Y856 W857 V858D75-T854 HydrophobicContact CB-CG2 4.07Å; D75-T854 VanDerWaalsContact O-CG2 3.3Å; D75-T854 WeakPolarHBondContact O-CG2 3.4Å; E76-T854 HydrophobicContact CB-CG2 4.43Å; E76-T854 VanDerWaalsContact CD-CG2 3.46Å; E76-T854 HydrophobicContact CG-CG2 3.96Å; E76-T854 WeakPolarHBondContact OE1-CG2 3.48Å; E76-T854 PolarHBondContact OE1-OG1 3.31Å; L79-T854 HydrophobicContact CB-CG2 3.86Å; L79-T854 HydrophobicContact CD2-CG2 3.64Å; L79-T854 HydrophobicContact CG-CG2 4.39Å; T854-Y856 VanDerWaalsContact C-N 3.33Å; T854-Y856 PolarHBondContact O-N 3.44Å; T854-W857 WeakPolarHBondContact O-CB 3.34Å; T854-W857 PolarHBondContact O-N 3.21Å; T854-W857 VanDerWaalsContact O-N 3.12Å; T854-V858 PolarHBondContact O-N 3.09Å
855K85.7Confident84.6Confident91 Ų9143 Ų4340%0.39622%0.215SC..Hα-helixtrans-57.2-38.8174.8-171.5168.8-178166.20113.9D75 C853 V859D75-K855 WeakPolarHBondContact OD1-CB 3.42Å; C853-K855 VanDerWaalsContact C-N 3.25Å; C853-K855 PolarHBondContact O-N 3.33Å; K855-V859 PolarHBondContact O-N 3.31Å
856Y84.6Confident84.2Confident55 Ų5545.6 Ų45.622%0.21623%0.226CC..Hα-helixtrans-75.7-30.3176.7-82.5-85.4000112.4N850 C853 T854 V858 V859 Y860N850-Y856 WeakPolarHBondContact O-CD2 3.44Å; C853-Y856 PolarHBondContact O-N 2.63Å; T854-Y856 VanDerWaalsContact C-N 3.33Å; T854-Y856 PolarHBondContact O-N 3.44Å; Y856-V858 VanDerWaalsContact C-N 3.31Å; Y856-V858 PolarHBondContact O-N 2.91Å; Y856-V859 CarbonylContact O-C 3.57Å; Y856-V859 WeakPolarHBondContact O-CB 3.35Å; Y856-V859 PolarHBondContact O-N 2.91Å; Y856-V859 VanDerWaalsContact O-N 3.11Å; Y856-Y860 HydrophobicContact CD1-CE1 4.4Å; Y856-Y860 VanDerWaalsContact O-CD2 3.26Å; Y856-Y860 WeakPolarHBondContact O-CD2 3.25Å; Y856-Y860 PolarHBondContact O-N 2.68Å
857W87.5Confident83.5Confident119 Ų11949.3 Ų49.345%0.45126%0.257SS..Hα-helixtrans-61.7-37.1171.7-73.4100.6000112.8L79 T852 C853 T854 Y860 L861L79-W857 HydrophobicContact CD1-CB 3.78Å; L79-W857 HydrophobicContact CD2-CB 4.11Å; T852-W857 PolarHBondContact O-NE1 3.02Å; C853-W857 PolarHBondContact O-N 3.49Å; T854-W857 WeakPolarHBondContact O-CB 3.34Å; T854-W857 PolarHBondContact O-N 3.21Å; T854-W857 VanDerWaalsContact O-N 3.12Å; W857-Y860 HydrophobicContact CD2-CD2 4.37Å; W857-Y860 HydrophobicContact CE3-CD2 4.26Å; W857-Y860 PolarHBondContact O-N 2.87Å; W857-L861 WeakPolarHBondContact O-CG 3.46Å; W857-L861 PolarHBondContact O-N 3.46Å
858V88.6Confident83Confident16 Ų1650.2 Ų50.210%0.09726%0.261CS..Hα-helixtrans-58.3-48.9170.1-179.40000110.4H78 L79 E82 T854 Y856 Y860 L861 Q862H78-V858 HydrophobicContact CB-CG2 4.17Å; L79-V858 HydrophobicContact CB-CG2 3.98Å; L79-V858 HydrophobicContact CD1-CG2 4.42Å; E82-V858 HydrophobicContact CG-CG1 4.42Å; T854-V858 PolarHBondContact O-N 3.09Å; Y856-V858 VanDerWaalsContact C-N 3.31Å; Y856-V858 PolarHBondContact O-N 2.91Å; V858-Y860 PolarHBondContact O-N 3.1Å; V858-L861 PolarHBondContact O-N 3.32Å; V858-Q862 WeakPolarHBondContact O-CG 3.49Å; V858-Q862 PolarHBondContact O-N 2.84Å
859V84.6Confident82.9Confident42 Ų4249.2 Ų49.226%0.25525%0.254SS..Hα-helixtrans-62.1-41.4178.6178.30000111.7K855 Y856 Q862 V863K855-V859 PolarHBondContact O-N 3.31Å; Y856-V859 CarbonylContact O-C 3.57Å; Y856-V859 WeakPolarHBondContact O-CB 3.35Å; Y856-V859 PolarHBondContact O-N 2.91Å; Y856-V859 VanDerWaalsContact O-N 3.11Å; V859-Q862 PolarHBondContact O-N 3.37Å; V859-V863 HydrophobicContact CG1-CG2 4.42Å; V859-V863 WeakPolarHBondContact O-CG2 3.38Å; V859-V863 PolarHBondContact O-N 3.21Å
860Y84.2Confident82.5Confident69 Ų6952 Ų5227%0.27127%0.272SS..Hα-helixtrans-64.4-44.4177.5-58.5-30.5000111.8L851 Y856 W857 V858 Q862 V863 I864L851-Y860 WeakPolarHBondContact O-CE2 3.29Å; L851-Y860 PolarHBondContact O-OH 2.93Å; Y856-Y860 HydrophobicContact CD1-CE1 4.4Å; Y856-Y860 VanDerWaalsContact O-CD2 3.26Å; Y856-Y860 WeakPolarHBondContact O-CD2 3.25Å; Y856-Y860 PolarHBondContact O-N 2.68Å; W857-Y860 HydrophobicContact CD2-CD2 4.37Å; W857-Y860 HydrophobicContact CE3-CD2 4.26Å; W857-Y860 PolarHBondContact O-N 2.87Å; V858-Y860 PolarHBondContact O-N 3.1Å; Y860-Q862 VanDerWaalsContact C-N 3.32Å; Y860-Q862 PolarHBondContact O-N 2.9Å; Y860-V863 PolarHBondContact O-N 3.36Å; Y860-I864 VanDerWaalsContact O-CG1 3.3Å; Y860-I864 WeakPolarHBondContact O-CG1 3.35Å; Y860-I864 PolarHBondContact O-N 2.84Å
861L84.5Confident82.3Confident37 Ų3754.1 Ų54.119%0.19430%0.3CS..Hα-helixtrans-62.6-38.3173.5-71.8178.3000112L79 E82 I83 W857 V858 I864 Q865L79-L861 HydrophobicContact CD1-CD1 3.65Å; E82-L861 HydrophobicContact CB-CD1 4.37Å; E82-L861 HydrophobicContact CG-CB 3.95Å; E82-L861 HydrophobicContact CG-CD1 4.4Å; I83-L861 HydrophobicContact CG1-CD1 3.76Å; W857-L861 WeakPolarHBondContact O-CG 3.46Å; W857-L861 PolarHBondContact O-N 3.46Å; V858-L861 PolarHBondContact O-N 3.32Å; L861-I864 PolarHBondContact O-N 3.05Å; L861-Q865 VanDerWaalsContact O-CB 3.28Å; L861-Q865 WeakPolarHBondContact O-CB 3.49Å; L861-Q865 VanDerWaalsContact O-CG 3.23Å; L861-Q865 WeakPolarHBondContact O-CG 3.26Å; L861-Q865 PolarHBondContact O-N 3Å; L861-Q865 PolarHBondContact O-NE2 3.23Å
862Q84.6Confident82.3Confident61 Ų6151 Ų5129%0.28529%0.289SS..Hα-helixtrans-67-39.4175.3-74176.82.200112.9E82 V858 V859 Y860 Q865 E866E82-Q862 HydrophobicContact CG-CG 4.19Å; E82-Q862 WeakPolarHBondContact OE2-CG 3.48Å; E82-Q862 PolarHBondContact OE2-NE2 3.12Å; V858-Q862 WeakPolarHBondContact O-CG 3.49Å; V858-Q862 PolarHBondContact O-N 2.84Å; V859-Q862 PolarHBondContact O-N 3.37Å; Y860-Q862 VanDerWaalsContact C-N 3.32Å; Y860-Q862 PolarHBondContact O-N 2.9Å; Q862-Q865 PolarHBondContact O-N 3.17Å; Q862-E866 PolarHBondContact O-N 3.45Å
863V78.2Confident82.1Confident39 Ų3952 Ų5224%0.23630%0.301CS..Hα-helixtrans-65.5-43.2175.2168.90000110.8E246 V859 Y860 Q865 E866 A867E246-V863 HydrophobicContact CG-CG1 4.08Å; V859-V863 HydrophobicContact CG1-CG2 4.42Å; V859-V863 WeakPolarHBondContact O-CG2 3.38Å; V859-V863 PolarHBondContact O-N 3.21Å; Y860-V863 PolarHBondContact O-N 3.36Å; V863-Q865 VanDerWaalsContact C-N 3.34Å; V863-Q865 PolarHBondContact O-N 3.09Å; V863-E866 PolarHBondContact O-N 2.89Å; V863-A867 VanDerWaalsContact O-CB 3.31Å; V863-A867 WeakPolarHBondContact O-CB 3.18Å; V863-A867 PolarHBondContact O-N 3.1Å
864I76.1Confident81.7Confident96 Ų9655 Ų5549%0.49232%0.316SS..Hα-helixtrans-61.9-43173.2-67.9164.7000110.5Y860 L861 A867 V868Y860-I864 VanDerWaalsContact O-CG1 3.3Å; Y860-I864 WeakPolarHBondContact O-CG1 3.35Å; Y860-I864 PolarHBondContact O-N 2.84Å; L861-I864 PolarHBondContact O-N 3.05Å; I864-A867 PolarHBondContact O-N 2.91Å; I864-V868 WeakPolarHBondContact O-CG2 3.32Å; I864-V868 PolarHBondContact O-N 3.32Å
865Q81.6Confident81.3Confident2 Ų257.3 Ų57.31%0.00933%0.331CS..Hα-helixtrans-65.9-39.6179.5-79.8-17885.100113.1E82 T86 K89 L861 Q862 V863 W869E82-Q865 VanDerWaalsContact CD-NE2 3.25Å; E82-Q865 PolarHBondContact OE1-NE2 3.18Å; T86-Q865 HydrophobicContact CG2-CG 4.28Å; T86-Q865 PolarHBondContact OG1-NE2 3.47Å; T86-Q865 VanDerWaalsContact OG1-NE2 3.15Å; K89-Q865 VanDerWaalsContact CE-OE1 3.3Å; L861-Q865 VanDerWaalsContact O-CB 3.28Å; L861-Q865 WeakPolarHBondContact O-CB 3.49Å; L861-Q865 VanDerWaalsContact O-CG 3.23Å; L861-Q865 WeakPolarHBondContact O-CG 3.26Å; L861-Q865 PolarHBondContact O-N 3Å; L861-Q865 PolarHBondContact O-NE2 3.23Å; Q862-Q865 PolarHBondContact O-N 3.17Å; V863-Q865 VanDerWaalsContact C-N 3.34Å; V863-Q865 PolarHBondContact O-N 3.09Å; Q865-W869 HydrophobicContact CB-CE3 4.41Å; Q865-W869 HydrophobicContact CG-CE3 4.31Å; Q865-W869 HydrophobicContact CG-CZ3 4.32Å; Q865-W869 CarbonylContact O-C 3.59Å; Q865-W869 VanDerWaalsContact O-CA 3.29Å; Q865-W869 WeakPolarHBondContact O-CA 3.3Å; Q865-W869 WeakPolarHBondContact O-CB 3.46Å; Q865-W869 PolarHBondContact O-N 2.95Å
866E79.3Confident80.7Confident87 Ų8757 Ų5741%0.40735%0.345SS..Hα-helixtrans-75.2-23.8174.5-70.3-59.9133.900112.6Q862 V863 P870 G871Q862-E866 PolarHBondContact O-N 3.45Å; V863-E866 PolarHBondContact O-N 2.89Å; E866-P870 VanDerWaalsContact O-CA 3.28Å; E866-P870 WeakPolarHBondContact O-CA 3.34Å; E866-P870 WeakPolarHBondContact O-CB 3.37Å; E866-P870 WeakPolarHBondContact O-CD 3.36Å; E866-P870 WeakPolarHBondContact OE2-CA 3.26Å; E866-G871 PolarHBondContact OE2-N 2.79Å
867A69.5Low80.1Confident82 Ų8257.6 Ų57.668%0.67836%0.362SS*.Hα-helixtrans-72.6-32.117300000113.1V863 I864V863-A867 VanDerWaalsContact O-CB 3.31Å; V863-A867 WeakPolarHBondContact O-CB 3.18Å; V863-A867 PolarHBondContact O-N 3.1Å; I864-A867 PolarHBondContact O-N 2.91Å
868V73.8Confident79Confident53 Ų5357.4 Ų57.432%0.32138%0.376SS..Hα-helixtrans-94.5-40.4178.1179.20000112I864 L874 P875I864-V868 WeakPolarHBondContact O-CG2 3.32Å; I864-V868 PolarHBondContact O-N 3.32Å; V868-L874 HydrophobicContact CG1-CD1 4.16Å; V868-P875 VanDerWaalsContact O-CD 3.26Å; V868-P875 WeakPolarHBondContact O-CD 3.4Å
869W83.3Confident77.9Confident9 Ų962 Ų623%0.03441%0.406CS..SBendtrans-125.967.6-179.1-58.6-86.3000111.1K89 I90 D93 F94 Q865 G871 G872 A873K89-W869 HydrophobicContact CB-CD2 3.99Å; K89-W869 HydrophobicContact CB-CE3 4.24Å; K89-W869 HydrophobicContact CB-CH2 4.11Å; K89-W869 HydrophobicContact CB-CZ2 3.79Å; K89-W869 HydrophobicContact CB-CZ3 4.32Å; K89-W869 HydrophobicContact CD-CD2 4.08Å; K89-W869 HydrophobicContact CD-CE3 4.05Å; K89-W869 HydrophobicContact CD-CG 4.33Å; I90-W869 HydrophobicContact CG1-CH2 3.57Å; I90-W869 HydrophobicContact CG1-CZ2 4Å; D93-W869 PolarHBondContact OD2-NE1 2.98Å; F94-W869 HydrophobicContact CD2-CZ2 4.19Å; F94-W869 AromaticContact CE2-CZ2 3.73Å; F94-W869 HydrophobicContact CE2-CZ2 3.73Å; Q865-W869 HydrophobicContact CB-CE3 4.41Å; Q865-W869 HydrophobicContact CG-CE3 4.31Å; Q865-W869 HydrophobicContact CG-CZ3 4.32Å; Q865-W869 CarbonylContact O-C 3.59Å; Q865-W869 VanDerWaalsContact O-CA 3.29Å; Q865-W869 WeakPolarHBondContact O-CA 3.3Å; Q865-W869 WeakPolarHBondContact O-CB 3.46Å; Q865-W869 PolarHBondContact O-N 2.95Å; W869-G871 PolarHBondContact O-N 2.7Å; W869-G872 WeakPolarHBondContact O-CA 3.41Å; W869-G872 PolarHBondContact O-N 3.47Å; W869-A873 CarbonylContact C-O 3.55Å; W869-A873 WeakPolarHBondContact CA-O 3.26Å
870P78.2Confident77.4Confident71 Ų7165.4 Ų65.446%0.46143%0.429SS..G310 helixtrans-57.3122.6177.223.8-33.9000110.8E866 G872 P875E866-P870 VanDerWaalsContact O-CA 3.28Å; E866-P870 WeakPolarHBondContact O-CA 3.34Å; E866-P870 WeakPolarHBondContact O-CB 3.37Å; E866-P870 WeakPolarHBondContact O-CD 3.36Å; E866-P870 WeakPolarHBondContact OE2-CA 3.26Å; P870-G872 PolarHBondContact O-N 2.98Å; P870-P875 HydrophobicContact CG-CG 3.81Å
871G80.4Confident77.1Confident73 Ų7371.3 Ų71.375%0.75346%0.459SS*.G310 helixtrans67.821-172.800000114.3E866 W869E866-G871 PolarHBondContact OE2-N 2.79Å; W869-G871 PolarHBondContact O-N 2.7Å
872G82.2Confident77.1Confident20 Ų2073.3 Ų73.321%0.20646%0.464CS..G310 helixtrans845.6174.700000116.6R92 W869 P870R92-G872 PolarHBondContact NH1-O 2.93Å; R92-G872 PolarHBondContact NH2-O 3.43Å; W869-G872 WeakPolarHBondContact O-CA 3.41Å; W869-G872 PolarHBondContact O-N 3.47Å; P870-G872 PolarHBondContact O-N 2.98Å
873A82.4Confident77.3Confident55 Ų5573 Ų7346%0.45547%0.468SS..SBendtrans-128.3144.7179.700000112.4W869W869-A873 CarbonylContact C-O 3.55Å; W869-A873 WeakPolarHBondContact CA-O 3.26Å
874L78.9Confident77.8Confident67 Ų6777 Ų7735%0.35148%0.484SS..  trans-70.7130.9179-171.671.4000109.8D93 F94 V868 A876D93-L874 HydrophobicContact CB-CB 4.42Å; D93-L874 HydrophobicContact CB-CD2 4.28Å; F94-L874 HydrophobicContact CE1-CD2 4.21Å; F94-L874 HydrophobicContact CE2-CD1 4.41Å; F94-L874 HydrophobicContact CZ-CD1 3.86Å; F94-L874 HydrophobicContact CZ-CD2 4.05Å; V868-L874 HydrophobicContact CG1-CD1 4.16Å; L874-A876 PolarHBondContact O-N 3.44Å
875P79.1Confident78.5Confident60 Ų6080 Ų8039%0.3950%0.496SS..  trans-60.1127.2179.5-26.536.4000112.3V868 P870 A877V868-P875 VanDerWaalsContact O-CD 3.26Å; V868-P875 WeakPolarHBondContact O-CD 3.4Å; P870-P875 HydrophobicContact CG-CG 3.81Å; P875-A877 WeakPolarHBondContact CB-O 3.41Å; P875-A877 PolarHBondContact O-N 3.11Å
876A72.6Confident78.9Confident84 Ų8484.4 Ų84.469%0.69452%0.517SS*.SBendtrans-73.2-7-17900000114.2L874L874-A876 PolarHBondContact O-N 3.44Å
877A71.9Confident79.5Confident67 Ų6783.2 Ų83.255%0.55451%0.51SS*.SBendtrans-145.1150.1173.300000108.4P875P875-A877 WeakPolarHBondContact CB-O 3.41Å; P875-A877 PolarHBondContact O-N 3.11Å
878P64.5Low80.5Confident115 Ų11583.4 Ų83.475%0.74750%0.5SS*.PPolyproline II helixtrans-62.2149.1174.327.5-34.9000110.9
879P67.1Low81.5Confident112 Ų11283.5 Ų83.573%0.72750%0.503SS*.PPolyproline II helixtrans-60.7143.8173.526.6-34.2000110.4
880P74.1Confident81.9Confident114 Ų11483.2 Ų83.274%0.7450%0.502SS*.PPolyproline II helixtrans-63.3147.7-175.426.4-35.1000111.9R882P880-R882 PolarHBondContact O-N 3.28Å; P880-R882 VanDerWaalsContact O-N 3.15Å
881H76.2Confident82.6Confident194 Ų19482.6 Ų82.690%0.89849%0.492SS*.PPolyproline II helixtrans-58.3119173.8-76.5-88000110.4
882R84.9Confident83.3Confident79 Ų7982.4 Ų82.430%0.29847%0.472SS..PPolyproline II helixtrans-68.1134179.1-63.5-176.868.5-141.3-0.4110.5D238 P880 Q886 K887 S890D238-R882 IonicContact OD1-CZ 2.8Å; D238-R882 IonicContact OD1-NH1 2.6Å; D238-R882 PolarHBondContact OD1-NH1 2.75Å; D238-R882 IonicContact OD2-CZ 3.08Å; D238-R882 IonicContact OD2-NE 2.77Å; D238-R882 IonicContact OD2-NH1 2.98Å; D238-R882 PolarHBondContact OD2-NH1 3.24Å; P880-R882 PolarHBondContact O-N 3.28Å; P880-R882 VanDerWaalsContact O-N 3.15Å; R882-Q886 VanDerWaalsContact CA-OE1 3.28Å; R882-Q886 HydrophobicContact CB-CB 4.33Å; R882-Q886 PolarHBondContact NH2-O 3.18Å; R882-K887 HydrophobicContact CB-CG 4.48Å; R882-S890 PolarHBondContact NH1-OG 3.09Å; R882-S890 PolarHBondContact NH2-OG 2.89Å
883S88.6Confident83.8Confident55 Ų5586.1 Ų86.139%0.38548%0.484SS..PPolyproline II helixtrans-70.4157.4178.270.30000111.2Q885 Q886 K887S883-Q885 VanDerWaalsContact C-N 3.29Å; S883-Q885 PolarHBondContact O-N 2.93Å; S883-Q886 VanDerWaalsContact N-OE1 3.1Å; S883-Q886 WeakPolarHBondContact O-CA 3.22Å; S883-Q886 WeakPolarHBondContact O-CB 3.47Å; S883-Q886 PolarHBondContact O-N 3.12Å; S883-Q886 WeakPolarHBondContact OG-CG 3.25Å; S883-Q886 PolarHBondContact OG-N 3.45Å; S883-K887 PolarHBondContact O-N 3.21Å
884Q88.6Confident84.3Confident121 Ų12183.5 Ų83.557%0.56546%0.462SS*.Hα-helixtrans-56.3-43.9-178.9-171.456.94000111.9Q886 K887 D888Q884-Q886 PolarHBondContact O-N 3.39Å; Q884-K887 CarbonylContact O-C 3.58Å; Q884-K887 WeakPolarHBondContact O-CA 3.39Å; Q884-K887 WeakPolarHBondContact O-CB 3.47Å; Q884-K887 PolarHBondContact O-N 3.48Å; Q884-D888 PolarHBondContact NE2-OD1 3.37Å; Q884-D888 PolarHBondContact O-N 2.98Å; Q884-D888 VanDerWaalsContact O-OD2 3.1Å
885Q90.9Very high85Confident159 Ų15980.5 Ų80.574%0.74345%0.447SS*.Hα-helixtrans-55.6-35.7174-173-173.99.400113.3S883 S889S883-Q885 VanDerWaalsContact C-N 3.29Å; S883-Q885 PolarHBondContact O-N 2.93Å; Q885-S889 WeakPolarHBondContact O-CB 3.3Å; Q885-S889 PolarHBondContact O-N 2.87Å
886Q90.8Very high85.5Confident96 Ų9680.5 Ų80.545%0.44944%0.443SS..Hα-helixtrans-70.2-39.4173.8-71.1172.7-18.700111.5R882 S883 Q884 S889 S890R882-Q886 VanDerWaalsContact CA-OE1 3.28Å; R882-Q886 HydrophobicContact CB-CB 4.33Å; R882-Q886 PolarHBondContact NH2-O 3.18Å; S883-Q886 VanDerWaalsContact N-OE1 3.1Å; S883-Q886 WeakPolarHBondContact O-CA 3.22Å; S883-Q886 WeakPolarHBondContact O-CB 3.47Å; S883-Q886 PolarHBondContact O-N 3.12Å; S883-Q886 WeakPolarHBondContact OG-CG 3.25Å; S883-Q886 PolarHBondContact OG-N 3.45Å; Q884-Q886 PolarHBondContact O-N 3.39Å; Q886-S889 PolarHBondContact O-N 3.37Å; Q886-S890 PolarHBondContact O-N 3.4Å; Q886-S890 PolarHBondContact O-OG 2.8Å
887K91.7Very high86.3Confident61 Ų6176.7 Ų76.727%0.26541%0.412SS..Hα-helixtrans-63.2-46.5175.7-59.7-161.1163.2-159.30112D238 R882 S883 Q884 S889 S890 K891D238-K887 HydrophobicContact CB-CD 3.87Å; D238-K887 HydrophobicContact CB-CG 4.15Å; D238-K887 WeakPolarHBondContact OD1-CA 3.43Å; R882-K887 HydrophobicContact CB-CG 4.48Å; S883-K887 PolarHBondContact O-N 3.21Å; Q884-K887 CarbonylContact O-C 3.58Å; Q884-K887 WeakPolarHBondContact O-CA 3.39Å; Q884-K887 WeakPolarHBondContact O-CB 3.47Å; Q884-K887 PolarHBondContact O-N 3.48Å; K887-S889 VanDerWaalsContact C-N 3.28Å; K887-S889 PolarHBondContact O-N 2.74Å; K887-S890 WeakPolarHBondContact CA-OG 3.34Å; K887-S890 PolarHBondContact O-N 3.37Å; K887-S890 VanDerWaalsContact O-N 3.17Å; K887-S890 PolarHBondContact O-OG 3.22Å; K887-S890 VanDerWaalsContact O-OG 3.05Å; K887-K891 PolarHBondContact O-N 3.11Å
888D91.4Very high87Confident86 Ų8674.5 Ų74.546%0.4639%0.391SS..Hα-helixtrans-60.8-40176.6-55.4-32.9000110.7Q884 K891 Q892Q884-D888 PolarHBondContact NE2-OD1 3.37Å; Q884-D888 PolarHBondContact O-N 2.98Å; Q884-D888 VanDerWaalsContact O-OD2 3.1Å; D888-K891 PolarHBondContact O-N 3.14Å; D888-Q892 WeakPolarHBondContact O-CB 3.43Å; D888-Q892 PolarHBondContact O-N 3.49Å
889S92.9Very high88.1Confident56 Ų5670.7 Ų70.739%0.39236%0.364SS..Hα-helixtrans-65.4-39.1174.7-1680000112.9Q885 Q886 K887 Q892 Q893Q885-S889 WeakPolarHBondContact O-CB 3.3Å; Q885-S889 PolarHBondContact O-N 2.87Å; Q886-S889 PolarHBondContact O-N 3.37Å; K887-S889 VanDerWaalsContact C-N 3.28Å; K887-S889 PolarHBondContact O-N 2.74Å; S889-Q892 PolarHBondContact O-N 3.46Å; S889-Q893 WeakPolarHBondContact O-CB 3.39Å; S889-Q893 VanDerWaalsContact O-CG 3.3Å; S889-Q893 WeakPolarHBondContact O-CG 3.22Å; S889-Q893 PolarHBondContact O-N 2.81Å; S889-Q893 PolarHBondContact OG-NE2 3.4Å; S889-Q893 VanDerWaalsContact OG-NE2 3.16Å
890S91.9Very high88.8Confident2 Ų272.7 Ų72.71%0.01436%0.361CS..Hα-helixtrans-70.8-35.4172.330.50000112.9D238 R882 Q886 K887 Q892 Q893 A894D238-S890 PolarHBondContact OD1-OG 3.04Å; R882-S890 PolarHBondContact NH1-OG 3.09Å; R882-S890 PolarHBondContact NH2-OG 2.89Å; Q886-S890 PolarHBondContact O-N 3.4Å; Q886-S890 PolarHBondContact O-OG 2.8Å; K887-S890 WeakPolarHBondContact CA-OG 3.34Å; K887-S890 PolarHBondContact O-N 3.37Å; K887-S890 VanDerWaalsContact O-N 3.17Å; K887-S890 PolarHBondContact O-OG 3.22Å; K887-S890 VanDerWaalsContact O-OG 3.05Å; S890-Q892 VanDerWaalsContact C-N 3.29Å; S890-Q892 PolarHBondContact O-N 3.25Å; S890-Q893 PolarHBondContact O-N 2.67Å; S890-A894 VanDerWaalsContact O-CB 3.25Å; S890-A894 WeakPolarHBondContact O-CB 3.4Å; S890-A894 PolarHBondContact O-N 3.45Å
891K94.5Very high88.8Confident58 Ų5871.2 Ų71.225%0.25235%0.346SS..Hα-helixtrans-59.3-43.8170.7-170.4-176.8177.9-177.80110.8K887 D888 A894 L895 L923 D924 Q927K887-K891 PolarHBondContact O-N 3.11Å; D888-K891 PolarHBondContact O-N 3.14Å; K891-A894 PolarHBondContact O-N 3.31Å; K891-L895 PolarHBondContact O-N 2.93Å; K891-L923 HydrophobicContact CG-CD2 3.79Å; K891-L923 HydrophobicContact CG-CG 4.42Å; K891-L923 WeakPolarHBondContact O-CD2 3.49Å; K891-D924 WeakPolarHBondContact CE-OD1 3.35Å; K891-D924 IonicContact NZ-OD1 2.68Å; K891-D924 PolarHBondContact NZ-OD1 3.47Å; K891-Q927 HydrophobicContact CD-CG 4.44Å
892Q93.9Very high88.6Confident70 Ų7064.6 Ų64.633%0.32732%0.317SS..Hα-helixtrans-65.4-46.7178.2-174.547.764.400112.3D888 S889 S890 A894 L895 D896D888-Q892 WeakPolarHBondContact O-CB 3.43Å; D888-Q892 PolarHBondContact O-N 3.49Å; S889-Q892 PolarHBondContact O-N 3.46Å; S890-Q892 VanDerWaalsContact C-N 3.29Å; S890-Q892 PolarHBondContact O-N 3.25Å; Q892-A894 VanDerWaalsContact C-N 3.31Å; Q892-A894 PolarHBondContact O-N 3.1Å; Q892-L895 WeakPolarHBondContact O-CB 3.39Å; Q892-L895 PolarHBondContact O-N 3.14Å; Q892-D896 PolarHBondContact NE2-OD1 2.96Å; Q892-D896 PolarHBondContact NE2-OD2 3.36Å; Q892-D896 PolarHBondContact O-N 3.33Å
893Q92.9Very high88Confident97 Ų9765 Ų6545%0.45333%0.33SS..Hα-helixtrans-64.1-34.2176.6-71.4171.543.700112.7I245 S889 S890 D896 G897I245-Q893 HydrophobicContact CD1-CB 3.65Å; I245-Q893 HydrophobicContact CG1-CB 4.05Å; S889-Q893 WeakPolarHBondContact O-CB 3.39Å; S889-Q893 VanDerWaalsContact O-CG 3.3Å; S889-Q893 WeakPolarHBondContact O-CG 3.22Å; S889-Q893 PolarHBondContact O-N 2.81Å; S889-Q893 PolarHBondContact OG-NE2 3.4Å; S889-Q893 VanDerWaalsContact OG-NE2 3.16Å; S890-Q893 PolarHBondContact O-N 2.67Å; Q893-D896 PolarHBondContact O-N 3.4Å; Q893-G897 PolarHBondContact O-N 2.82Å
894A93.4Very high87.2Confident0 Ų068.1 Ų68.10%034%0.342CS..Hα-helixtrans-64.7-42.1172.900000111.7N241 I244 I245 S890 K891 Q892 G897 L898 L923N241-A894 HydrophobicContact CB-CB 4.21Å; I244-A894 HydrophobicContact CB-CB 4.12Å; I244-A894 HydrophobicContact CG2-CB 3.89Å; I245-A894 HydrophobicContact CG1-CB 4.26Å; S890-A894 VanDerWaalsContact O-CB 3.25Å; S890-A894 WeakPolarHBondContact O-CB 3.4Å; S890-A894 PolarHBondContact O-N 3.45Å; K891-A894 PolarHBondContact O-N 3.31Å; Q892-A894 VanDerWaalsContact C-N 3.31Å; Q892-A894 PolarHBondContact O-N 3.1Å; A894-G897 PolarHBondContact O-N 3.01Å; A894-L898 WeakPolarHBondContact O-CG 3.32Å; A894-L898 PolarHBondContact O-N 3.43Å; A894-L923 HydrophobicContact CB-CD1 4.37Å; A894-L923 HydrophobicContact CB-CD2 4.37Å
895L93.3Very high86Confident5 Ų568 Ų683%0.02635%0.345CS..Hα-helixtrans-61.3-47.6173.9178.656.9000112K891 Q892 G897 L898 M899 R916 W919 Q920 L923K891-L895 PolarHBondContact O-N 2.93Å; Q892-L895 WeakPolarHBondContact O-CB 3.39Å; Q892-L895 PolarHBondContact O-N 3.14Å; L895-G897 PolarHBondContact O-N 2.76Å; L895-L898 PolarHBondContact O-N 2.92Å; L895-M899 HydrophobicContact CD1-CG 4.4Å; L895-M899 HydrophobicContact CG-SD 4.4Å; L895-M899 WeakPolarHBondContact O-CG 3.26Å; L895-M899 PolarHBondContact O-N 3.17Å; L895-R916 HydrophobicContact CD2-CG 4.23Å; L895-W919 HydrophobicContact CD1-CB 3.66Å; L895-Q920 HydrophobicContact CD1-CB 4.17Å; L895-Q920 HydrophobicContact CD2-CB 4.09Å; L895-Q920 HydrophobicContact CD2-CG 4.47Å; L895-L923 HydrophobicContact CB-CD2 3.77Å
896D90.1Very high85.1Confident59 Ų5963.3 Ų63.332%0.31632%0.324SS..Hα-helixtrans-69.7-18.7179.2-59.1-37.7000112.7Q892 Q893 K900 R916Q892-D896 PolarHBondContact NE2-OD1 2.96Å; Q892-D896 PolarHBondContact NE2-OD2 3.36Å; Q892-D896 PolarHBondContact O-N 3.33Å; Q893-D896 PolarHBondContact O-N 3.4Å; D896-K900 WeakPolarHBondContact O-CD 3.14Å; D896-K900 WeakPolarHBondContact O-CE 3.29Å; D896-K900 WeakPolarHBondContact O-CG 3.47Å; D896-R916 IonicContact OD1-CZ 3.63Å; D896-R916 IonicContact OD1-NH1 2.72Å; D896-R916 PolarHBondContact OD1-NH1 3.38Å; D896-R916 IonicContact OD1-NH2 3.41Å
897G87.9Confident84.3Confident4 Ų459.6 Ų59.64%0.04131%0.309CS..Hα-helixtrans-76.4-48.5167.200000112.8Q893 A894 L895 M899 K900Q893-G897 PolarHBondContact O-N 2.82Å; A894-G897 PolarHBondContact O-N 3.01Å; L895-G897 PolarHBondContact O-N 2.76Å; G897-M899 VanDerWaalsContact C-N 3.3Å; G897-M899 PolarHBondContact O-N 3.16Å; G897-K900 PolarHBondContact O-N 3.32Å; G897-K900 VanDerWaalsContact O-N 3.11Å
898L87.8Confident83.5Confident22 Ų2262.9 Ų62.912%0.11533%0.329CS..Hα-helixtrans-58.3-40.5176.3-74.3169.4000112.2I244 L248 A894 L895 K900 L901 W919 L923I244-L898 HydrophobicContact CG2-CD2 4.31Å; I244-L898 HydrophobicContact CG2-CG 4.08Å; L248-L898 HydrophobicContact CD1-CD2 3.83Å; L248-L898 HydrophobicContact CD1-CG 4.33Å; A894-L898 WeakPolarHBondContact O-CG 3.32Å; A894-L898 PolarHBondContact O-N 3.43Å; L895-L898 PolarHBondContact O-N 2.92Å; L898-K900 PolarHBondContact O-N 3.02Å; L898-K900 VanDerWaalsContact O-N 3.12Å; L898-L901 HydrophobicContact CD2-CD1 3.8Å; L898-L901 VanDerWaalsContact O-CB 3.31Å; L898-L901 WeakPolarHBondContact O-CB 3.48Å; L898-L901 WeakPolarHBondContact O-CG 3.28Å; L898-L901 PolarHBondContact O-N 3.01Å; L898-L901 VanDerWaalsContact O-N 3.09Å; L898-W919 HydrophobicContact CB-CD2 4.12Å; L898-W919 HydrophobicContact CB-CE3 3.86Å; L898-W919 HydrophobicContact CB-CG 4.48Å; L898-W919 HydrophobicContact CB-CZ3 4.38Å; L898-W919 HydrophobicContact CD1-CE3 4.48Å; L898-W919 HydrophobicContact CD2-CE3 4.28Å; L898-W919 HydrophobicContact CD2-CZ3 4.11Å; L898-W919 HydrophobicContact CG-CE3 4.44Å; L898-L923 HydrophobicContact CD1-CB 4.08Å; L898-L923 HydrophobicContact CD1-CD1 3.99Å; L898-L923 HydrophobicContact CD1-CG 4.45Å
899M86.5Confident82.5Confident34 Ų3465.8 Ų65.817%0.16734%0.342CS..G310 helixtrans-58.9-24.6177.7-74.517867.300113.5L895 G897 Y915 R916 W919L895-M899 HydrophobicContact CD1-CG 4.4Å; L895-M899 HydrophobicContact CG-SD 4.4Å; L895-M899 WeakPolarHBondContact O-CG 3.26Å; L895-M899 PolarHBondContact O-N 3.17Å; G897-M899 VanDerWaalsContact C-N 3.3Å; G897-M899 PolarHBondContact O-N 3.16Å; M899-Y915 HydrophobicContact CB-CE1 4.09Å; M899-Y915 HydrophobicContact CE-CD1 4Å; M899-Y915 HydrophobicContact CE-CE1 4.36Å; M899-Y915 HydrophobicContact CG-CE1 4.31Å; M899-Y915 WeakPolarHBondContact O-CE1 3.36Å; M899-Y915 PolarHBondContact O-OH 2.82Å; M899-R916 HydrophobicContact CE-CB 3.78Å; M899-R916 HydrophobicContact CE-CG 4.26Å; M899-R916 HydrophobicContact SD-CB 3.83Å; M899-R916 HydrophobicContact SD-CG 3.75Å; M899-W919 HydrophobicContact CG-CB 4.2Å; M899-W919 HydrophobicContact CG-CG 4.24Å
900K83Confident81.6Confident155 Ų15565.4 Ų65.467%0.67434%0.335SS*.G310 helixtrans-87.2-0.7179.7-63.1170.1-174.6175.60114.2D896 G897 L898 L902D896-K900 WeakPolarHBondContact O-CD 3.14Å; D896-K900 WeakPolarHBondContact O-CE 3.29Å; D896-K900 WeakPolarHBondContact O-CG 3.47Å; G897-K900 PolarHBondContact O-N 3.32Å; G897-K900 VanDerWaalsContact O-N 3.11Å; L898-K900 PolarHBondContact O-N 3.02Å; L898-K900 VanDerWaalsContact O-N 3.12Å; K900-L902 PolarHBondContact O-N 3.37Å
901L74.4Confident81.1Confident82 Ų8266.8 Ų66.843%0.42935%0.35SS..G310 helixtrans-67.5-19.3178-75.1175.1000113.9L248 L898 W919L248-L901 HydrophobicContact CD1-CD1 4.01Å; L248-L901 HydrophobicContact CD1-CD2 4.04Å; L248-L901 HydrophobicContact CD1-CG 4.07Å; L248-L901 HydrophobicContact CD2-CD2 3.74Å; L898-L901 HydrophobicContact CD2-CD1 3.8Å; L898-L901 VanDerWaalsContact O-CB 3.31Å; L898-L901 WeakPolarHBondContact O-CB 3.48Å; L898-L901 WeakPolarHBondContact O-CG 3.28Å; L898-L901 PolarHBondContact O-N 3.01Å; L898-L901 VanDerWaalsContact O-N 3.09Å; L901-W919 HydrophobicContact CB-CH2 4.34Å; L901-W919 HydrophobicContact CB-CZ2 4.2Å; L901-W919 HydrophobicContact CD1-CH2 3.73Å; L901-W919 HydrophobicContact CD1-CZ2 4.35Å; L901-W919 HydrophobicContact CD1-CZ3 4.15Å
902L71.6Confident80.5Confident55 Ų5567 Ų6729%0.28836%0.359SS..SBendtrans-120.7147.6177.8-60.8172.2000109.4K900 I906 Y915 W919K900-L902 PolarHBondContact O-N 3.37Å; L902-I906 HydrophobicContact CB-CD1 4.31Å; L902-I906 HydrophobicContact CD1-CG2 4.48Å; L902-Y915 HydrophobicContact CD1-CE2 4.16Å; L902-W919 HydrophobicContact CD1-CZ2 4.15Å; L902-W919 HydrophobicContact CG-CZ2 4.39Å
903P72.8Confident80.1Confident87 Ų8769.7 Ų69.757%0.56538%0.375SS*.  trans-57.1143.6179.9-25.334.4000112.9L905 I906P903-L905 PolarHBondContact O-N 2.98Å; P903-I906 WeakPolarHBondContact O-CB 3.32Å; P903-I906 PolarHBondContact O-N 3.49Å
904D70.4Confident79.7Confident121 Ų12169.4 Ų69.465%0.64737%0.373SS*.Hα-helixtrans-54.5-32.3-175.8-58.1-60.8000113.4I906 S907 D908D904-I906 PolarHBondContact O-N 3.28Å; D904-I906 VanDerWaalsContact O-N 3.1Å; D904-S907 WeakPolarHBondContact O-CA 3.28Å; D904-S907 VanDerWaalsContact O-CB 3.3Å; D904-S907 WeakPolarHBondContact O-CB 3.44Å; D904-S907 PolarHBondContact O-N 3.24Å; D904-D908 PolarHBondContact O-N 3.39Å
905L64.9Low79.2Confident118 Ų11869.9 Ų69.962%0.61838%0.375SS*.Hα-helixtrans-51.3-33.5172.7-17964.2000113.2P903 M909P903-L905 PolarHBondContact O-N 2.98Å; L905-M909 HydrophobicContact CD1-CG 4.38Å; L905-M909 HydrophobicContact CD1-SD 4.37Å; L905-M909 HydrophobicContact CG-SD 4.26Å; L905-M909 WeakPolarHBondContact O-CB 3.39Å; L905-M909 VanDerWaalsContact O-CG 3.23Å; L905-M909 WeakPolarHBondContact O-CG 3.38Å; L905-M909 PolarHBondContact O-N 2.99Å
906I70.2Confident79.1Confident61 Ų6173.4 Ų73.431%0.31339%0.387SS..Hα-helixtrans-72.3-41.7175.8-63.7-174.9000110.4L902 P903 D904 M909 L910L902-I906 HydrophobicContact CB-CD1 4.31Å; L902-I906 HydrophobicContact CD1-CG2 4.48Å; P903-I906 WeakPolarHBondContact O-CB 3.32Å; P903-I906 PolarHBondContact O-N 3.49Å; D904-I906 PolarHBondContact O-N 3.28Å; D904-I906 VanDerWaalsContact O-N 3.1Å; I906-M909 PolarHBondContact O-N 2.79Å; I906-L910 HydrophobicContact CG2-CD1 4.34Å; I906-L910 HydrophobicContact CG2-CD2 3.81Å; I906-L910 VanDerWaalsContact O-CB 3.25Å; I906-L910 WeakPolarHBondContact O-CB 3.25Å; I906-L910 WeakPolarHBondContact O-CD1 3.3Å; I906-L910 PolarHBondContact O-N 3.47Å; I906-L910 VanDerWaalsContact O-N 3.1Å
907S74.5Confident79.1Confident18 Ų1873.7 Ų73.713%0.12639%0.389CS..Hα-helixtrans-60-45.4173.1177.80000111.4D904 L910 G911 Y915D904-S907 WeakPolarHBondContact O-CA 3.28Å; D904-S907 VanDerWaalsContact O-CB 3.3Å; D904-S907 WeakPolarHBondContact O-CB 3.44Å; D904-S907 PolarHBondContact O-N 3.24Å; S907-L910 PolarHBondContact O-N 2.84Å; S907-G911 CarbonylContact O-C 3.58Å; S907-G911 WeakPolarHBondContact O-CA 3.25Å; S907-G911 PolarHBondContact O-N 3.02Å; S907-Y915 WeakPolarHBondContact OG-CD1 3.37Å
908D75.4Confident79.1Confident130 Ų13073.9 Ų73.970%0.69539%0.39SS*.Hα-helixtrans-64.5-41.6179.5-70.4-16.8000112.6D904D904-D908 PolarHBondContact O-N 3.39Å
909M70.1Confident79.3Confident148 Ų14875 Ų7573%0.72939%0.392SS*.Hα-helixtrans-70.6-28.1177.9-76.6-177.566.500113.8L905 I906L905-M909 HydrophobicContact CD1-CG 4.38Å; L905-M909 HydrophobicContact CD1-SD 4.37Å; L905-M909 HydrophobicContact CG-SD 4.26Å; L905-M909 WeakPolarHBondContact O-CB 3.39Å; L905-M909 VanDerWaalsContact O-CG 3.23Å; L905-M909 WeakPolarHBondContact O-CG 3.38Å; L905-M909 PolarHBondContact O-N 2.99Å; I906-M909 PolarHBondContact O-N 2.79Å
910L73.3Confident79.6Confident47 Ų4776.8 Ų76.825%0.24640%0.4CS..Hα-helixtrans-96.5-27-174.8-90.253000113.2M816 W820 I906 S907 Y915M816-L910 HydrophobicContact CE-CD2 3.45Å; M816-L910 VanDerWaalsContact CE-CD2 3.45Å; M816-L910 HydrophobicContact CE-CG 4.17Å; W820-L910 HydrophobicContact CH2-CB 4.07Å; W820-L910 HydrophobicContact CH2-CD2 4.02Å; W820-L910 HydrophobicContact CH2-CG 4.28Å; W820-L910 HydrophobicContact CZ2-CB 3.5Å; W820-L910 VanDerWaalsContact CZ2-CB 3.5Å; W820-L910 HydrophobicContact CZ2-CD2 4.19Å; W820-L910 HydrophobicContact CZ2-CG 3.94Å; W820-L910 WeakPolarHBondContact CZ2-O 3.33Å; W820-L910 HydrophobicContact CZ3-CD2 4.41Å; W820-L910 PolarHBondContact NE1-O 3.12Å; I906-L910 HydrophobicContact CG2-CD1 4.34Å; I906-L910 HydrophobicContact CG2-CD2 3.81Å; I906-L910 VanDerWaalsContact O-CB 3.25Å; I906-L910 WeakPolarHBondContact O-CB 3.25Å; I906-L910 WeakPolarHBondContact O-CD1 3.3Å; I906-L910 PolarHBondContact O-N 3.47Å; I906-L910 VanDerWaalsContact O-N 3.1Å; S907-L910 PolarHBondContact O-N 2.84Å; L910-Y915 HydrophobicContact CD2-CD2 4.44Å
911G81.4Confident80.1Confident31 Ų3170 Ų7032%0.3237%0.371SS..  trans97.1119.5-173.100000111.9S907 D913 K914 Y915S907-G911 CarbonylContact O-C 3.58Å; S907-G911 WeakPolarHBondContact O-CA 3.25Å; S907-G911 PolarHBondContact O-N 3.02Å; G911-D913 VanDerWaalsContact C-N 3.28Å; G911-D913 PolarHBondContact O-N 3.5Å; G911-D913 VanDerWaalsContact O-N 3.14Å; G911-K914 PolarHBondContact O-N 3.06Å; G911-Y915 WeakPolarHBondContact O-CB 3.11Å; G911-Y915 PolarHBondContact O-N 2.69Å
912S81.8Confident80.9Confident62 Ų6266.7 Ų66.743%0.43436%0.356SS..Hα-helixtrans-45.2-46.7-175.351.80000114.3Y915 R916S912-Y915 PolarHBondContact O-N 3.41Å; S912-R916 VanDerWaalsContact O-CB 3.27Å; S912-R916 WeakPolarHBondContact O-CB 3.23Å; S912-R916 PolarHBondContact O-N 2.8Å
913D85.6Confident82Confident127 Ų12764.1 Ų64.168%0.67934%0.343SS*.Hα-helixtrans-75.2-37.2-167.7-52.8-11.4000110.9G911 L917G911-D913 VanDerWaalsContact C-N 3.28Å; G911-D913 PolarHBondContact O-N 3.5Å; G911-D913 VanDerWaalsContact O-N 3.14Å; D913-L917 WeakPolarHBondContact O-CB 3.35Å; D913-L917 PolarHBondContact O-N 3.25Å
914K84.8Confident83Confident92 Ų9261.3 Ų61.340%0.432%0.323SS..Hα-helixtrans-72.3-36.9174-70.9-170.4164.2-162.40112.2Q819 W820 G911 L917 S918Q819-K914 HydrophobicContact CB-CB 4.2Å; Q819-K914 HydrophobicContact CB-CD 4.34Å; Q819-K914 HydrophobicContact CB-CG 4.46Å; Q819-K914 HydrophobicContact CG-CB 4.47Å; Q819-K914 PolarHBondContact O-NZ 3.33Å; W820-K914 VanDerWaalsContact CH2-C 3.47Å; W820-K914 HydrophobicContact CH2-CB 3.77Å; W820-K914 WeakPolarHBondContact CH2-O 3.44Å; W820-K914 HydrophobicContact CZ2-CB 3.25Å; W820-K914 HydrophobicContact CZ2-CD 4.2Å; W820-K914 HydrophobicContact CZ2-CG 4.38Å; G911-K914 PolarHBondContact O-N 3.06Å; K914-L917 PolarHBondContact O-N 3.36Å; K914-S918 PolarHBondContact O-N 2.91Å; K914-S918 PolarHBondContact O-OG 2.86Å
915Y84.5Confident84.1Confident10 Ų1055.6 Ų55.64%0.03929%0.293CS..Hα-helixtrans-63.1-47.3173.8-179-113.6000111.5M899 L902 S907 L910 G911 S912 L917 S918 W919M899-Y915 HydrophobicContact CB-CE1 4.09Å; M899-Y915 HydrophobicContact CE-CD1 4Å; M899-Y915 HydrophobicContact CE-CE1 4.36Å; M899-Y915 HydrophobicContact CG-CE1 4.31Å; M899-Y915 WeakPolarHBondContact O-CE1 3.36Å; M899-Y915 PolarHBondContact O-OH 2.82Å; L902-Y915 HydrophobicContact CD1-CE2 4.16Å; S907-Y915 WeakPolarHBondContact OG-CD1 3.37Å; L910-Y915 HydrophobicContact CD2-CD2 4.44Å; G911-Y915 WeakPolarHBondContact O-CB 3.11Å; G911-Y915 PolarHBondContact O-N 2.69Å; S912-Y915 PolarHBondContact O-N 3.41Å; Y915-L917 PolarHBondContact O-N 2.83Å; Y915-S918 PolarHBondContact O-N 2.73Å; Y915-W919 AromaticContact CE1-CD1 3.94Å; Y915-W919 AromaticContact CE1-NE1 3.91Å; Y915-W919 AromaticContact CE2-CD1 3.69Å; Y915-W919 AromaticContact CE2-NE1 3.24Å; Y915-W919 AromaticContact CZ-CD1 3.58Å; Y915-W919 AromaticContact CZ-NE1 3.12Å; Y915-W919 PolarHBondContact O-N 3.47Å; Y915-W919 VanDerWaalsContact O-N 3.14Å; Y915-W919 PolarHBondContact OH-NE1 3.37Å
916R89.4Confident85.5Confident78 Ų7852.8 Ų52.829%0.29428%0.276SS..Hα-helixtrans-57.3-45.7170.2-176.7173.2-176.785.6-7.3112.4L895 D896 M899 S912 S918 W919 Q920L895-R916 HydrophobicContact CD2-CG 4.23Å; D896-R916 IonicContact OD1-CZ 3.63Å; D896-R916 IonicContact OD1-NH1 2.72Å; D896-R916 PolarHBondContact OD1-NH1 3.38Å; D896-R916 IonicContact OD1-NH2 3.41Å; M899-R916 HydrophobicContact CE-CB 3.78Å; M899-R916 HydrophobicContact CE-CG 4.26Å; M899-R916 HydrophobicContact SD-CB 3.83Å; M899-R916 HydrophobicContact SD-CG 3.75Å; S912-R916 VanDerWaalsContact O-CB 3.27Å; S912-R916 WeakPolarHBondContact O-CB 3.23Å; S912-R916 PolarHBondContact O-N 2.8Å; R916-S918 VanDerWaalsContact C-N 3.35Å; R916-S918 PolarHBondContact O-N 3.01Å; R916-W919 PolarHBondContact O-N 2.92Å; R916-Q920 VanDerWaalsContact O-CB 3.31Å; R916-Q920 WeakPolarHBondContact O-CB 3.42Å; R916-Q920 PolarHBondContact O-N 2.82Å
917L90.3Very high86.6Confident65 Ų6552 Ų5234%0.3427%0.271SS..Hα-helixtrans-67.4-32.2-179-174.452.6000113.1Q819 D913 K914 Y915 T921Q819-L917 VanDerWaalsContact NE2-CD2 3.32Å; D913-L917 WeakPolarHBondContact O-CB 3.35Å; D913-L917 PolarHBondContact O-N 3.25Å; K914-L917 PolarHBondContact O-N 3.36Å; Y915-L917 PolarHBondContact O-N 2.83Å; L917-T921 WeakPolarHBondContact O-CB 3.47Å; L917-T921 PolarHBondContact O-N 3.06Å; L917-T921 PolarHBondContact O-OG1 2.93Å
918S89.6Confident87.5Confident9 Ų951.4 Ų51.46%0.06327%0.266CS..Hα-helixtrans-68.9-43.8173.2-57.90000111.9W820 K914 Y915 R916 T921 A922W820-S918 WeakPolarHBondContact CZ3-OG 3.29Å; K914-S918 PolarHBondContact O-N 2.91Å; K914-S918 PolarHBondContact O-OG 2.86Å; Y915-S918 PolarHBondContact O-N 2.73Å; R916-S918 VanDerWaalsContact C-N 3.35Å; R916-S918 PolarHBondContact O-N 3.01Å; S918-T921 WeakPolarHBondContact O-CB 3.49Å; S918-T921 PolarHBondContact O-N 3.16Å; S918-A922 PolarHBondContact O-N 3.48Å; S918-A922 VanDerWaalsContact O-N 3.09Å
919W90.8Very high88.4Confident44 Ų4447.8 Ų47.817%0.16725%0.25CC..Hα-helixtrans-68.5-34.6173.6-78.6117.6000113.2L895 L898 M899 L901 L902 Y915 R916 T921 A922 L923L895-W919 HydrophobicContact CD1-CB 3.66Å; L898-W919 HydrophobicContact CB-CD2 4.12Å; L898-W919 HydrophobicContact CB-CE3 3.86Å; L898-W919 HydrophobicContact CB-CG 4.48Å; L898-W919 HydrophobicContact CB-CZ3 4.38Å; L898-W919 HydrophobicContact CD1-CE3 4.48Å; L898-W919 HydrophobicContact CD2-CE3 4.28Å; L898-W919 HydrophobicContact CD2-CZ3 4.11Å; L898-W919 HydrophobicContact CG-CE3 4.44Å; M899-W919 HydrophobicContact CG-CB 4.2Å; M899-W919 HydrophobicContact CG-CG 4.24Å; L901-W919 HydrophobicContact CB-CH2 4.34Å; L901-W919 HydrophobicContact CB-CZ2 4.2Å; L901-W919 HydrophobicContact CD1-CH2 3.73Å; L901-W919 HydrophobicContact CD1-CZ2 4.35Å; L901-W919 HydrophobicContact CD1-CZ3 4.15Å; L902-W919 HydrophobicContact CD1-CZ2 4.15Å; L902-W919 HydrophobicContact CG-CZ2 4.39Å; Y915-W919 AromaticContact CE1-CD1 3.94Å; Y915-W919 AromaticContact CE1-NE1 3.91Å; Y915-W919 AromaticContact CE2-CD1 3.69Å; Y915-W919 AromaticContact CE2-NE1 3.24Å; Y915-W919 AromaticContact CZ-CD1 3.58Å; Y915-W919 AromaticContact CZ-NE1 3.12Å; Y915-W919 PolarHBondContact O-N 3.47Å; Y915-W919 VanDerWaalsContact O-N 3.14Å; Y915-W919 PolarHBondContact OH-NE1 3.37Å; R916-W919 PolarHBondContact O-N 2.92Å; W919-T921 VanDerWaalsContact C-N 3.27Å; W919-T921 PolarHBondContact O-N 3.36Å; W919-A922 HydrophobicContact CE3-CB 4.29Å; W919-A922 PolarHBondContact O-N 2.91Å; W919-L923 WeakPolarHBondContact O-CB 3.41Å; W919-L923 PolarHBondContact O-N 2.93Å
920Q93.2Very high89.5Confident73 Ų7347 Ų4734%0.34124%0.239SC..Hα-helixtrans-62.9-37.8171.6-178.1177.9-18.600110.8L895 R916 L923 D924L895-Q920 HydrophobicContact CD1-CB 4.17Å; L895-Q920 HydrophobicContact CD2-CB 4.09Å; L895-Q920 HydrophobicContact CD2-CG 4.47Å; R916-Q920 VanDerWaalsContact O-CB 3.31Å; R916-Q920 WeakPolarHBondContact O-CB 3.42Å; R916-Q920 PolarHBondContact O-N 2.82Å; Q920-L923 PolarHBondContact O-N 2.94Å; Q920-D924 VanDerWaalsContact O-CB 3.22Å; Q920-D924 WeakPolarHBondContact O-CB 3.24Å; Q920-D924 PolarHBondContact O-N 3.2Å
921T92.4Very high90.5Very high11 Ų1144.8 Ų44.87%0.06723%0.228CC..Hα-helixtrans-66.7-38.1176.8-610000112L151 L917 S918 W919L151-T921 HydrophobicContact CD2-CG2 3.65Å; L917-T921 WeakPolarHBondContact O-CB 3.47Å; L917-T921 PolarHBondContact O-N 3.06Å; L917-T921 PolarHBondContact O-OG1 2.93Å; S918-T921 WeakPolarHBondContact O-CB 3.49Å; S918-T921 PolarHBondContact O-N 3.16Å; W919-T921 VanDerWaalsContact C-N 3.27Å; W919-T921 PolarHBondContact O-N 3.36Å
922A92.1Very high91.2Very high13 Ų1343.4 Ų43.411%0.10721%0.213CC..Hα-helixtrans-64.7-44.8170.100000112.1L815 S918 W919 S925 F926L815-A922 HydrophobicContact CD1-CB 4.2Å; L815-A922 HydrophobicContact CD2-CB 3.7Å; S918-A922 PolarHBondContact O-N 3.48Å; S918-A922 VanDerWaalsContact O-N 3.09Å; W919-A922 HydrophobicContact CE3-CB 4.29Å; W919-A922 PolarHBondContact O-N 2.91Å; A922-S925 PolarHBondContact O-N 3.35Å; A922-S925 PolarHBondContact O-OG 3.48Å; A922-S925 VanDerWaalsContact O-OG 3.12Å; A922-F926 WeakPolarHBondContact O-CD2 3.39Å; A922-F926 WeakPolarHBondContact O-CE2 3.31Å
923L94.3Very high91.8Very high1 Ų143.5 Ų43.51%0.00520%0.204CC..Hα-helixtrans-67.3-37179.8-174.661.8000112.2N241 I244 K891 A894 L895 L898 W919 Q920 S925 F926 Q927N241-L923 WeakPolarHBondContact OD1-CD1 3.48Å; I244-L923 HydrophobicContact CD1-CD1 3.91Å; K891-L923 HydrophobicContact CG-CD2 3.79Å; K891-L923 HydrophobicContact CG-CG 4.42Å; K891-L923 WeakPolarHBondContact O-CD2 3.49Å; A894-L923 HydrophobicContact CB-CD1 4.37Å; A894-L923 HydrophobicContact CB-CD2 4.37Å; L895-L923 HydrophobicContact CB-CD2 3.77Å; L898-L923 HydrophobicContact CD1-CB 4.08Å; L898-L923 HydrophobicContact CD1-CD1 3.99Å; L898-L923 HydrophobicContact CD1-CG 4.45Å; W919-L923 WeakPolarHBondContact O-CB 3.41Å; W919-L923 PolarHBondContact O-N 2.93Å; Q920-L923 PolarHBondContact O-N 2.94Å; L923-S925 VanDerWaalsContact C-N 3.26Å; L923-S925 PolarHBondContact O-N 2.86Å; L923-F926 PolarHBondContact O-N 3.24Å; L923-Q927 WeakPolarHBondContact O-CG 3.44Å; L923-Q927 PolarHBondContact O-NE2 3.32Å
924D93.3Very high92.2Very high28 Ų2838 Ų3815%0.1517%0.174CC..Hα-helixtrans-63.8-24.9178.9-81.6-10.1000113.2Y150 K154 K891 Q920 F926 Q927Y150-D924 VanDerWaalsContact OH-CB 3.32Å; Y150-D924 WeakPolarHBondContact OH-CB 3.48Å; Y150-D924 PolarHBondContact OH-O 3.11Å; K154-D924 IonicContact NZ-OD2 2.73Å; K154-D924 PolarHBondContact NZ-OD2 3.37Å; K154-D924 VanDerWaalsContact NZ-OD2 3.1Å; K891-D924 WeakPolarHBondContact CE-OD1 3.35Å; K891-D924 IonicContact NZ-OD1 2.68Å; K891-D924 PolarHBondContact NZ-OD1 3.47Å; Q920-D924 VanDerWaalsContact O-CB 3.22Å; Q920-D924 WeakPolarHBondContact O-CB 3.24Å; Q920-D924 PolarHBondContact O-N 3.2Å; D924-F926 PolarHBondContact O-N 2.84Å; D924-Q927 PolarHBondContact O-N 2.83Å
925S94.2Very high92.8Very high2 Ų234 Ų341%0.01416%0.157CC..THydrogen-bonded Turntrans-69.9-22175.981.10000113.1H146 A922 L923H146-S925 PolarHBondContact NE2-OG 3.23Å; A922-S925 PolarHBondContact O-N 3.35Å; A922-S925 PolarHBondContact O-OG 3.48Å; A922-S925 VanDerWaalsContact O-OG 3.12Å; L923-S925 VanDerWaalsContact C-N 3.26Å; L923-S925 PolarHBondContact O-N 2.86Å
926F94.3Very high93.3Very high59 Ų5934.1 Ų34.126%0.25916%0.159SC..THydrogen-bonded Turntrans-9510.4178.2-59.8-73.1000114.2H146 P237 L240 A922 L923 D924 N932 L935H146-F926 AromaticContact NE2-CE1 3.91Å; P237-F926 WeakPolarHBondContact CB-O 3.42Å; L240-F926 HydrophobicContact CD1-CB 4.31Å; A922-F926 WeakPolarHBondContact O-CD2 3.39Å; A922-F926 WeakPolarHBondContact O-CE2 3.31Å; L923-F926 PolarHBondContact O-N 3.24Å; D924-F926 PolarHBondContact O-N 2.84Å; F926-N932 VanDerWaalsContact CA-OD1 3.23Å; F926-N932 WeakPolarHBondContact CA-OD1 3.46Å; F926-N932 PolarHBondContact O-ND2 2.58Å; F926-N932 PolarHBondContact O-OD1 3.18Å; F926-L935 HydrophobicContact CD1-CD2 4.36Å; F926-L935 HydrophobicContact CE1-CD2 3.72Å
927Q94Very high93.6Very high44 Ų4430.4 Ų30.421%0.20615%0.145CC..SBendtrans-96.7-10.2-175.2-52.2-60.6-65.100114.3N241 K891 L923 D924N241-Q927 PolarHBondContact ND2-OE1 2.96Å; N241-Q927 VanDerWaalsContact ND2-OE1 3.11Å; N241-Q927 PolarHBondContact OD1-NE2 2.68Å; K891-Q927 HydrophobicContact CD-CG 4.44Å; L923-Q927 WeakPolarHBondContact O-CG 3.44Å; L923-Q927 PolarHBondContact O-NE2 3.32Å; D924-Q927 PolarHBondContact O-N 2.83Å
928D92.9Very high93.8Very high6 Ų628.4 Ų28.43%0.03214%0.136CC..  trans-96.6122.6173.6-177-80.9000111.1L168 Y930 I931 N932L168-D928 HydrophobicContact CD2-CB 4.41Å; D928-Y930 VanDerWaalsContact C-N 3.34Å; D928-Y930 PolarHBondContact O-N 3.06Å; D928-Y930 WeakPolarHBondContact OD1-CA 3.19Å; D928-Y930 WeakPolarHBondContact OD1-CB 3.31Å; D928-Y930 PolarHBondContact OD1-N 2.98Å; D928-I931 HydrophobicContact CB-CB 4.16Å; D928-I931 HydrophobicContact CB-CD1 4.04Å; D928-I931 HydrophobicContact CB-CG1 4.1Å; D928-I931 PolarHBondContact O-N 2.97Å; D928-I931 PolarHBondContact OD1-N 3.04Å; D928-N932 WeakPolarHBondContact O-CB 3.46Å; D928-N932 PolarHBondContact O-N 3.05Å; D928-N932 PolarHBondContact O-ND2 3.17Å; D928-N932 PolarHBondContact O-OD1 2.89Å
929P93.5Very high94Very high54 Ų5431.1 Ų31.135%0.35115%0.149SC..Hα-helixtrans-72.1-21.8-17429.4-35.6000114.2S235 R933S235-P929 WeakPolarHBondContact O-CA 3.45Å; P929-R933 VanDerWaalsContact O-CB 3.28Å; P929-R933 WeakPolarHBondContact O-CB 3.13Å; P929-R933 PolarHBondContact O-N 3.21Å
930Y93.1Very high94.1Very high131 Ų13130.3 Ų30.351%0.51415%0.147SC..Hα-helixtrans-79.7-41.4176.4-63.4-80.8000111W169 M182 D928 N932 R933 H934W169-Y930 HydrophobicContact CD2-CG 4.47Å; W169-Y930 HydrophobicContact CG-CG 4.3Å; M182-Y930 HydrophobicContact CE-CD1 4.48Å; M182-Y930 VanDerWaalsContact CE-O 3.28Å; M182-Y930 WeakPolarHBondContact CE-O 3.44Å; D928-Y930 VanDerWaalsContact C-N 3.34Å; D928-Y930 PolarHBondContact O-N 3.06Å; D928-Y930 WeakPolarHBondContact OD1-CA 3.19Å; D928-Y930 WeakPolarHBondContact OD1-CB 3.31Å; D928-Y930 PolarHBondContact OD1-N 2.98Å; Y930-N932 VanDerWaalsContact C-N 3.34Å; Y930-R933 PolarHBondContact O-N 3.47Å; Y930-H934 WeakPolarHBondContact O-CB 3.23Å; Y930-H934 PolarHBondContact O-N 2.8Å
931I94.9Very high94.1Very high0 Ų029.3 Ų29.30%014%0.144CC..Hα-helixtrans-62.7-43171.7-60.5178.7000110.2H146 Y150 L168 W169 Y172 D928 H934 L935H146-I931 VanDerWaalsContact CE1-CG2 3.5Å; H146-I931 WeakPolarHBondContact CE1-CG2 3.49Å; Y150-I931 HydrophobicContact CD2-CD1 4.18Å; L168-I931 HydrophobicContact CD2-CD1 4.24Å; L168-I931 HydrophobicContact CG-CD1 4.06Å; W169-I931 HydrophobicContact CE3-CG1 3.82Å; W169-I931 HydrophobicContact CZ3-CG1 4.37Å; Y172-I931 HydrophobicContact CD1-CG1 4.11Å; Y172-I931 HydrophobicContact CD2-CD1 3.8Å; Y172-I931 HydrophobicContact CD2-CG1 4.12Å; Y172-I931 HydrophobicContact CD2-CG2 4.13Å; Y172-I931 HydrophobicContact CE1-CG2 4.22Å; Y172-I931 HydrophobicContact CE2-CD1 4.45Å; Y172-I931 HydrophobicContact CE2-CG2 3.74Å; Y172-I931 HydrophobicContact CG-CD1 3.87Å; Y172-I931 HydrophobicContact CG-CG1 3.87Å; D928-I931 HydrophobicContact CB-CB 4.16Å; D928-I931 HydrophobicContact CB-CD1 4.04Å; D928-I931 HydrophobicContact CB-CG1 4.1Å; D928-I931 PolarHBondContact O-N 2.97Å; D928-I931 PolarHBondContact OD1-N 3.04Å; I931-H934 WeakPolarHBondContact O-CB 3.35Å; I931-H934 PolarHBondContact O-N 3.5Å; I931-L935 PolarHBondContact O-N 2.88Å
932N95.6Very high94.2Very high3 Ų329.7 Ų29.72%0.01615%0.145CC..Hα-helixtrans-58.9-48.2173.5-68.6-18.6000111.5S235 L240 F926 D928 Y930 H934 L935 V936S235-N932 WeakPolarHBondContact O-CB 3.29Å; S235-N932 PolarHBondContact O-ND2 2.87Å; L240-N932 HydrophobicContact CD1-CB 4.49Å; F926-N932 VanDerWaalsContact CA-OD1 3.23Å; F926-N932 WeakPolarHBondContact CA-OD1 3.46Å; F926-N932 PolarHBondContact O-ND2 2.58Å; F926-N932 PolarHBondContact O-OD1 3.18Å; D928-N932 WeakPolarHBondContact O-CB 3.46Å; D928-N932 PolarHBondContact O-N 3.05Å; D928-N932 PolarHBondContact O-ND2 3.17Å; D928-N932 PolarHBondContact O-OD1 2.89Å; Y930-N932 VanDerWaalsContact C-N 3.34Å; N932-H934 VanDerWaalsContact C-N 3.32Å; N932-H934 PolarHBondContact O-N 2.73Å; N932-L935 PolarHBondContact O-N 3.36Å; N932-L935 VanDerWaalsContact O-N 3.15Å; N932-V936 VanDerWaalsContact O-CG2 3.3Å; N932-V936 WeakPolarHBondContact O-CG2 3.47Å; N932-V936 PolarHBondContact O-N 3.14Å
933R94.8Very high94.1Very high64 Ų6432.9 Ų32.924%0.24216%0.16CC..Hα-helixtrans-61.7-40.2-179.2-163.3-176.6-159.7146.33.8112.5M182 E188 V231 S235 P929 Y930 V936 Y937M182-R933 HydrophobicContact CE-CB 4.1Å; M182-R933 HydrophobicContact SD-CB 3.96Å; M182-R933 HydrophobicContact SD-CG 3.83Å; E188-R933 IonicContact OE1-CZ 2.7Å; E188-R933 IonicContact OE1-NE 2.75Å; E188-R933 IonicContact OE1-NH2 2.82Å; E188-R933 PolarHBondContact OE1-NH2 3.15Å; E188-R933 IonicContact OE2-CZ 2.74Å; E188-R933 IonicContact OE2-NE 3.17Å; E188-R933 IonicContact OE2-NH2 2.98Å; E188-R933 PolarHBondContact OE2-NH2 2.79Å; V231-R933 HydrophobicContact CG1-CG 3.86Å; S235-R933 VanDerWaalsContact OG-CA 3.31Å; S235-R933 WeakPolarHBondContact OG-CA 3.38Å; S235-R933 VanDerWaalsContact OG-CB 3.32Å; S235-R933 WeakPolarHBondContact OG-CB 3.43Å; S235-R933 WeakPolarHBondContact OG-CG 3.01Å; P929-R933 VanDerWaalsContact O-CB 3.28Å; P929-R933 WeakPolarHBondContact O-CB 3.13Å; P929-R933 PolarHBondContact O-N 3.21Å; Y930-R933 PolarHBondContact O-N 3.47Å; R933-V936 PolarHBondContact O-N 2.81Å; R933-Y937 HydrophobicContact CG-CD2 4.42Å; R933-Y937 HydrophobicContact CG-CE2 3.65Å; R933-Y937 PolarHBondContact NE-OH 3.47Å; R933-Y937 VanDerWaalsContact NE-OH 3.09Å; R933-Y937 WeakPolarHBondContact O-CD2 3.44Å; R933-Y937 PolarHBondContact O-N 3.44Å
934H95.3Very high93.9Very high11 Ų1133.7 Ų33.75%0.05116%0.164CC..Hα-helixtrans-57.4-52.1171.7176-97.8000111.6W169 Y172 H179 M182 Y930 I931 N932 V936 Y937 C938W169-H934 HydrophobicContact CH2-CB 3.99Å; W169-H934 HydrophobicContact CZ3-CB 3.91Å; Y172-H934 AromaticContact CE1-CE1 3.59Å; Y172-H934 AromaticContact CE1-ND1 3.7Å; Y172-H934 AromaticContact CZ-CE1 3.74Å; Y172-H934 PolarHBondContact OH-CE1 2.75Å; H179-H934 PolarHBondContact N-CD2 2.75Å; H179-H934 VanDerWaalsContact N-CD2 3.27Å; M182-H934 HydrophobicContact CE-CB 4.35Å; M182-H934 HydrophobicContact CG-CB 4.4Å; M182-H934 HydrophobicContact SD-CB 4.5Å; Y930-H934 WeakPolarHBondContact O-CB 3.23Å; Y930-H934 PolarHBondContact O-N 2.8Å; I931-H934 WeakPolarHBondContact O-CB 3.35Å; I931-H934 PolarHBondContact O-N 3.5Å; N932-H934 VanDerWaalsContact C-N 3.32Å; N932-H934 PolarHBondContact O-N 2.73Å; H934-V936 VanDerWaalsContact C-N 3.31Å; H934-V936 PolarHBondContact O-N 2.89Å; H934-Y937 PolarHBondContact O-N 2.89Å; H934-C938 PolarHBondContact O-N 2.95Å; H934-C938 VanDerWaalsContact O-N 3.13Å; H934-C938 PolarHBondContact O-SG 2.85Å
935L95.7Very high93.8Very high9 Ų936.6 Ų36.65%0.04718%0.18CC..Hα-helixtrans-60.8-38.4178.3178.461.4000112.3L142 H146 F926 I931 N932 Y937 C938 I939L142-L935 HydrophobicContact CD1-CD1 4.19Å; L142-L935 HydrophobicContact CD2-CD1 4.16Å; L142-L935 HydrophobicContact CG-CD1 3.89Å; H146-L935 HydrophobicContact CB-CD1 4.13Å; F926-L935 HydrophobicContact CD1-CD2 4.36Å; F926-L935 HydrophobicContact CE1-CD2 3.72Å; I931-L935 PolarHBondContact O-N 2.88Å; N932-L935 PolarHBondContact O-N 3.36Å; N932-L935 VanDerWaalsContact O-N 3.15Å; L935-Y937 PolarHBondContact O-N 3.11Å; L935-C938 PolarHBondContact O-N 3.25Å; L935-I939 HydrophobicContact CD1-CD1 4.14Å; L935-I939 HydrophobicContact CD1-CG1 4.25Å; L935-I939 HydrophobicContact CG-CD1 3.88Å; L935-I939 HydrophobicContact CG-CG1 4.43Å; L935-I939 WeakPolarHBondContact O-CB 3.33Å; L935-I939 VanDerWaalsContact O-CG1 3.28Å; L935-I939 WeakPolarHBondContact O-CG1 3.49Å; L935-I939 PolarHBondContact O-N 3.23Å
936V95.4Very high93.6Very high12 Ų1237.7 Ų37.77%0.07318%0.184CC..Hα-helixtrans-60.6-42.7177167.70000111.7V231 L234 N932 R933 H934 I939 F940V231-V936 HydrophobicContact CB-CG1 4.49Å; V231-V936 HydrophobicContact CG1-CG1 4.12Å; V231-V936 HydrophobicContact CG2-CG1 4.15Å; L234-V936 HydrophobicContact CB-CG1 4.09Å; L234-V936 HydrophobicContact CB-CG2 3.59Å; L234-V936 HydrophobicContact CD1-CG1 3.89Å; N932-V936 VanDerWaalsContact O-CG2 3.3Å; N932-V936 WeakPolarHBondContact O-CG2 3.47Å; N932-V936 PolarHBondContact O-N 3.14Å; R933-V936 PolarHBondContact O-N 2.81Å; H934-V936 VanDerWaalsContact C-N 3.31Å; H934-V936 PolarHBondContact O-N 2.89Å; V936-I939 PolarHBondContact O-N 2.92Å; V936-F940 HydrophobicContact CG1-CD1 4.3Å; V936-F940 HydrophobicContact CG1-CE1 3.92Å; V936-F940 HydrophobicContact CG1-CE2 4.43Å; V936-F940 HydrophobicContact CG1-CZ 3.99Å; V936-F940 VanDerWaalsContact O-CD1 3.3Å; V936-F940 WeakPolarHBondContact O-CD1 3.17Å; V936-F940 WeakPolarHBondContact O-CG 3.36Å; V936-F940 PolarHBondContact O-N 3.34Å
937Y95.3Very high93.4Very high0 Ų036.1 Ų36.10%018%0.179CC..Hα-helixtrans-68-41.5174.6-61.9-56.9000112.5H179 A181 M182 E188 Y191 I192 V231 R933 H934 L935 I939 F940 D941H179-Y937 AromaticContact CE1-CG 3.91Å; H179-Y937 WeakPolarHBondContact ND1-CB 3.48Å; H179-Y937 AromaticContact ND1-CD2 3.57Å; H179-Y937 AromaticContact ND1-CG 3.42Å; A181-Y937 HydrophobicContact CB-CD1 4.1Å; A181-Y937 HydrophobicContact CB-CD2 3.82Å; A181-Y937 HydrophobicContact CB-CE1 3.93Å; A181-Y937 HydrophobicContact CB-CE2 3.62Å; A181-Y937 HydrophobicContact CB-CG 4.08Å; M182-Y937 HydrophobicContact CG-CD2 4.2Å; M182-Y937 HydrophobicContact CG-CE2 4.31Å; M182-Y937 HydrophobicContact SD-CD2 3.94Å; M182-Y937 HydrophobicContact SD-CE2 3.64Å; E188-Y937 WeakPolarHBondContact CG-OH 3.29Å; E188-Y937 PolarHBondContact OE1-OH 2.83Å; Y191-Y937 HydrophobicContact CD1-CD1 4.08Å; Y191-Y937 HydrophobicContact CD1-CE1 4.27Å; Y191-Y937 AromaticContact CE1-CD1 3.63Å; Y191-Y937 HydrophobicContact CE1-CD1 3.63Å; Y191-Y937 HydrophobicContact CE1-CE1 4.21Å; Y191-Y937 HydrophobicContact CE1-CG 4.47Å; I192-Y937 HydrophobicContact CD1-CE1 4.36Å; I192-Y937 HydrophobicContact CG1-CE1 4.45Å; V231-Y937 HydrophobicContact CG1-CE1 3.97Å; V231-Y937 HydrophobicContact CG2-CE1 4.1Å; R933-Y937 HydrophobicContact CG-CD2 4.42Å; R933-Y937 HydrophobicContact CG-CE2 3.65Å; R933-Y937 PolarHBondContact NE-OH 3.47Å; R933-Y937 VanDerWaalsContact NE-OH 3.09Å; R933-Y937 WeakPolarHBondContact O-CD2 3.44Å; R933-Y937 PolarHBondContact O-N 3.44Å; H934-Y937 PolarHBondContact O-N 2.89Å; L935-Y937 PolarHBondContact O-N 3.11Å; Y937-I939 PolarHBondContact O-N 3.48Å; Y937-F940 CarbonylContact O-C 3.48Å; Y937-F940 WeakPolarHBondContact O-CA 3.48Å; Y937-F940 WeakPolarHBondContact O-CB 3.43Å; Y937-F940 PolarHBondContact O-N 3.34Å; Y937-D941 PolarHBondContact O-N 3.39Å
938C95.7Very high93.2Very high23 Ų2334 Ų3416%0.15517%0.169CC..Hα-helixtrans-63.6-29.5175.3-62.30000112.7L142 H934 L935 L942L142-C938 HydrophobicContact CD1-CB 3.79Å; L142-C938 HydrophobicContact CD2-CB 4.06Å; H934-C938 PolarHBondContact O-N 2.95Å; H934-C938 VanDerWaalsContact O-N 3.13Å; H934-C938 PolarHBondContact O-SG 2.85Å; L935-C938 PolarHBondContact O-N 3.25Å; C938-L942 VanDerWaalsContact O-CB 3.26Å; C938-L942 WeakPolarHBondContact O-CB 3.15Å; C938-L942 PolarHBondContact O-N 3.09Å
939I94.1Very high92.9Very high65 Ų6537.6 Ų37.633%0.33319%0.192SC..Hα-helixtrans-70.6-39.8169.3-70.9167.9000110.6L142 L935 V936 Y937 L942 L943L142-I939 HydrophobicContact CD2-CG1 3.73Å; L935-I939 HydrophobicContact CD1-CD1 4.14Å; L935-I939 HydrophobicContact CD1-CG1 4.25Å; L935-I939 HydrophobicContact CG-CD1 3.88Å; L935-I939 HydrophobicContact CG-CG1 4.43Å; L935-I939 WeakPolarHBondContact O-CB 3.33Å; L935-I939 VanDerWaalsContact O-CG1 3.28Å; L935-I939 WeakPolarHBondContact O-CG1 3.49Å; L935-I939 PolarHBondContact O-N 3.23Å; V936-I939 PolarHBondContact O-N 2.92Å; Y937-I939 PolarHBondContact O-N 3.48Å; I939-L942 PolarHBondContact O-N 2.85Å; I939-L943 HydrophobicContact CG2-CD1 3.78Å; I939-L943 HydrophobicContact CG2-CG 4.25Å; I939-L943 WeakPolarHBondContact O-CB 3.34Å; I939-L943 VanDerWaalsContact O-CG 3.24Å; I939-L943 WeakPolarHBondContact O-CG 3.43Å; I939-L943 PolarHBondContact O-N 3.23Å
940F92.4Very high92.7Very high28 Ų2837.4 Ų37.412%0.12319%0.187CC..Hα-helixtrans-64.4-46.5177.1-76.811.9000111.8F227 L230 V231 L234 V936 Y937 L942 L943 L944F227-F940 HydrophobicContact CD1-CE2 4.17Å; L230-F940 HydrophobicContact CD2-CZ 4.38Å; V231-F940 HydrophobicContact CG2-CD2 4.42Å; V231-F940 HydrophobicContact CG2-CE2 3.49Å; V231-F940 VanDerWaalsContact CG2-CE2 3.49Å; V231-F940 HydrophobicContact CG2-CZ 3.9Å; L234-F940 HydrophobicContact CD1-CE1 3.79Å; L234-F940 HydrophobicContact CD1-CZ 3.87Å; V936-F940 HydrophobicContact CG1-CD1 4.3Å; V936-F940 HydrophobicContact CG1-CE1 3.92Å; V936-F940 HydrophobicContact CG1-CE2 4.43Å; V936-F940 HydrophobicContact CG1-CZ 3.99Å; V936-F940 VanDerWaalsContact O-CD1 3.3Å; V936-F940 WeakPolarHBondContact O-CD1 3.17Å; V936-F940 WeakPolarHBondContact O-CG 3.36Å; V936-F940 PolarHBondContact O-N 3.34Å; Y937-F940 CarbonylContact O-C 3.48Å; Y937-F940 WeakPolarHBondContact O-CA 3.48Å; Y937-F940 WeakPolarHBondContact O-CB 3.43Å; Y937-F940 PolarHBondContact O-N 3.34Å; F940-L942 PolarHBondContact O-N 2.87Å; F940-L943 PolarHBondContact O-N 3.28Å; F940-L944 WeakPolarHBondContact O-CB 3.38Å; F940-L944 VanDerWaalsContact O-CG 3.23Å; F940-L944 WeakPolarHBondContact O-CG 3.33Å; F940-L944 PolarHBondContact O-N 2.91Å
941D93.1Very high92.3Very high52 Ų5233.6 Ų33.628%0.27818%0.175SC..Hα-helixtrans-55.5-50.9173.7-67.5-22.4000110.9H179 Y191 Y937 L943 L944 D945H179-D941 IonicContact CD2-OD2 3.5Å; H179-D941 PolarHBondContact CD2-OD2 3.18Å; H179-D941 IonicContact NE2-OD1 2.6Å; H179-D941 IonicContact NE2-OD2 3.77Å; Y191-D941 WeakPolarHBondContact CE2-OD1 3.34Å; Y191-D941 PolarHBondContact OH-OD1 3.42Å; Y937-D941 PolarHBondContact O-N 3.39Å; D941-L943 VanDerWaalsContact C-N 3.32Å; D941-L943 PolarHBondContact O-N 3.3Å; D941-L944 PolarHBondContact O-N 3.49Å; D941-L944 VanDerWaalsContact O-N 3.11Å; D941-D945 PolarHBondContact O-N 2.9Å
942L93.9Very high91.8Very high18 Ų1838.4 Ų38.49%0.09421%0.206CC..Hα-helixtrans-59.2-40.1178.7-176.4161.8000112.3L135 K138 V139 L142 C938 I939 F940 F946L135-L942 HydrophobicContact CD1-CD2 3.73Å; K138-L942 HydrophobicContact CB-CD1 3.8Å; K138-L942 HydrophobicContact CB-CG 4.18Å; V139-L942 HydrophobicContact CG2-CD1 4.23Å; V139-L942 HydrophobicContact CG2-CD2 3.78Å; L142-L942 HydrophobicContact CB-CD1 4.22Å; L142-L942 HydrophobicContact CD2-CD1 3.82Å; C938-L942 VanDerWaalsContact O-CB 3.26Å; C938-L942 WeakPolarHBondContact O-CB 3.15Å; C938-L942 PolarHBondContact O-N 3.09Å; I939-L942 PolarHBondContact O-N 2.85Å; F940-L942 PolarHBondContact O-N 2.87Å; L942-F946 HydrophobicContact CD2-CD2 4.14Å; L942-F946 HydrophobicContact CD2-CE2 4.05Å; L942-F946 WeakPolarHBondContact O-CD2 3.27Å
943L90.8Very high91.5Very high80 Ų8043.7 Ų43.742%0.41923%0.231SC..Hα-helixtrans-72.3-32.1176.7-72.7173.6000112.4L135 I939 F940 D941 F946 L947L135-L943 HydrophobicContact CD1-CD2 4.34Å; I939-L943 HydrophobicContact CG2-CD1 3.78Å; I939-L943 HydrophobicContact CG2-CG 4.25Å; I939-L943 WeakPolarHBondContact O-CB 3.34Å; I939-L943 VanDerWaalsContact O-CG 3.24Å; I939-L943 WeakPolarHBondContact O-CG 3.43Å; I939-L943 PolarHBondContact O-N 3.23Å; F940-L943 PolarHBondContact O-N 3.28Å; D941-L943 VanDerWaalsContact C-N 3.32Å; D941-L943 PolarHBondContact O-N 3.3Å; L943-F946 PolarHBondContact O-N 2.83Å; L943-L947 WeakPolarHBondContact O-CB 3.46Å; L943-L947 PolarHBondContact O-N 3.17Å
944L90.7Very high91Very high18 Ų1846.4 Ų46.49%0.09425%0.246CC..Hα-helixtrans-69.3-39.6176-71.9165.9000111.8V195 L198 L199 F940 D941 F946 L947 V948V195-L944 HydrophobicContact CB-CD1 4.38Å; V195-L944 HydrophobicContact CG1-CD1 3.9Å; V195-L944 HydrophobicContact CG1-CD2 4.31Å; V195-L944 HydrophobicContact CG2-CD1 3.71Å; L198-L944 HydrophobicContact CD2-CD2 4.3Å; L199-L944 HydrophobicContact CD2-CD2 3.98Å; L199-L944 HydrophobicContact CG-CD2 4.32Å; F940-L944 WeakPolarHBondContact O-CB 3.38Å; F940-L944 VanDerWaalsContact O-CG 3.23Å; F940-L944 WeakPolarHBondContact O-CG 3.33Å; F940-L944 PolarHBondContact O-N 2.91Å; D941-L944 PolarHBondContact O-N 3.49Å; D941-L944 VanDerWaalsContact O-N 3.11Å; L944-F946 PolarHBondContact O-N 3.08Å; L944-L947 PolarHBondContact O-N 3.29Å; L944-V948 PolarHBondContact O-N 3.36Å
945D90.1Very high90.5Very high89 Ų8951.2 Ų51.248%0.47627%0.272SS..Hα-helixtrans-52.9-38.8172.3-84.2-3.8000112.5D941D941-D945 PolarHBondContact O-N 2.9Å
946F90.3Very high90.1Very high25 Ų2552.2 Ų52.211%0.1128%0.276CS..Hα-helixtrans-88.2-28.9178.9-72.3-67.8000114.1I130 E134 L135 K138 L942 L943 L944I130-F946 HydrophobicContact CD1-CB 4.24Å; I130-F946 HydrophobicContact CG1-CB 4.26Å; I130-F946 HydrophobicContact CG2-CB 4Å; I130-F946 HydrophobicContact CG2-CD1 4.02Å; I130-F946 HydrophobicContact CG2-CG 4.08Å; E134-F946 HydrophobicContact CB-CE1 4.04Å; E134-F946 HydrophobicContact CB-CZ 4.08Å; E134-F946 HydrophobicContact CG-CE1 4.1Å; E134-F946 HydrophobicContact CG-CZ 3.95Å; L135-F946 HydrophobicContact CB-CD2 4.41Å; L135-F946 HydrophobicContact CB-CE2 4.05Å; L135-F946 HydrophobicContact CB-CZ 4.14Å; L135-F946 HydrophobicContact CD1-CD2 3.51Å; L135-F946 HydrophobicContact CD1-CE2 3.62Å; L135-F946 HydrophobicContact CD1-CG 4.34Å; L135-F946 HydrophobicContact CG-CE2 4.46Å; K138-F946 HydrophobicContact CB-CE2 4.43Å; K138-F946 HydrophobicContact CD-CE2 3.74Å; K138-F946 HydrophobicContact CD-CZ 3.7Å; K138-F946 HydrophobicContact CG-CE2 4.44Å; K138-F946 HydrophobicContact CG-CZ 4.32Å; L942-F946 HydrophobicContact CD2-CD2 4.14Å; L942-F946 HydrophobicContact CD2-CE2 4.05Å; L942-F946 WeakPolarHBondContact O-CD2 3.27Å; L943-F946 PolarHBondContact O-N 2.83Å; L944-F946 PolarHBondContact O-N 3.08Å
947L89.2Confident89.5Confident27 Ų2755.7 Ų55.714%0.14129%0.292CS..Hα-helixtrans-81.2-32.6-179.5-179.958.8000112.2L123 R126 L199 L943 L944 P949L123-L947 HydrophobicContact CD1-CD1 3.51Å; L123-L947 HydrophobicContact CD1-CD2 4Å; L123-L947 HydrophobicContact CD1-CG 4.44Å; R126-L947 HydrophobicContact CB-CD1 3.72Å; R126-L947 WeakPolarHBondContact CD-O 3.27Å; R126-L947 HydrophobicContact CG-CD1 4.45Å; R126-L947 PolarHBondContact NH1-O 2.88Å; L199-L947 HydrophobicContact CD2-CD2 3.71Å; L943-L947 WeakPolarHBondContact O-CB 3.46Å; L943-L947 PolarHBondContact O-N 3.17Å; L944-L947 PolarHBondContact O-N 3.29Å; L947-P949 VanDerWaalsContact C-CD 3.45Å
948V90.2Very high88.7Confident0 Ų061.1 Ų61.10%031%0.312CS..  trans-126.867.6178.9-163.80000109.6L198 V202 L944 E950 L951 F956L198-V948 HydrophobicContact CD1-CG1 4.28Å; L198-V948 HydrophobicContact CD2-CG2 4.5Å; L198-V948 HydrophobicContact CG-CG2 4.48Å; V202-V948 HydrophobicContact CG1-CG2 4.19Å; V202-V948 HydrophobicContact CG2-CG1 3.83Å; V202-V948 HydrophobicContact CG2-CG2 4.23Å; L944-V948 PolarHBondContact O-N 3.36Å; V948-E950 WeakPolarHBondContact CA-OE2 3.37Å; V948-E950 PolarHBondContact O-N 3.27Å; V948-L951 HydrophobicContact CB-CB 4.49Å; V948-L951 HydrophobicContact CG1-CB 4.31Å; V948-L951 WeakPolarHBondContact O-CB 3.39Å; V948-L951 PolarHBondContact O-N 3.29Å; V948-F956 HydrophobicContact CG1-CE1 4.04Å; V948-F956 HydrophobicContact CG1-CZ 3.8Å
949P87.6Confident88Confident80 Ų8062.4 Ų62.452%0.51932%0.321SS..THydrogen-bonded Turntrans-62.4-10.4176.928.6-37.3000113.5L947 L951 P952L947-P949 VanDerWaalsContact C-CD 3.45Å; P949-L951 VanDerWaalsContact C-N 3.31Å; P949-P952 WeakPolarHBondContact O-CD 3.42Å
950E87.8Confident87.2Confident51 Ų5160.5 Ų60.524%0.23831%0.312CS..THydrogen-bonded Turntrans-77.4-12171.7-50.397.4142.100113.5R126 V948 P952 E953 F956R126-E950 IonicContact CZ-OE1 3.11Å; R126-E950 IonicContact CZ-OE2 2.66Å; R126-E950 IonicContact NH1-OE1 2.69Å; R126-E950 PolarHBondContact NH1-OE1 3.09Å; R126-E950 VanDerWaalsContact NH1-OE1 3.08Å; R126-E950 IonicContact NH1-OE2 2.67Å; R126-E950 PolarHBondContact NH1-OE2 3.38Å; R126-E950 IonicContact NH2-OE1 2.71Å; R126-E950 PolarHBondContact NH2-OE1 3.12Å; R126-E950 IonicContact NH2-OE2 3.99Å; V948-E950 WeakPolarHBondContact CA-OE2 3.37Å; V948-E950 PolarHBondContact O-N 3.27Å; E950-P952 VanDerWaalsContact C-CD 3.41Å; E950-E953 WeakPolarHBondContact O-CB 3.43Å; E950-E953 PolarHBondContact O-N 2.93Å; E950-F956 HydrophobicContact CB-CB 4.4Å; E950-F956 HydrophobicContact CB-CD1 4.43Å; E950-F956 HydrophobicContact CB-CD2 4.01Å; E950-F956 HydrophobicContact CB-CE2 4.43Å; E950-F956 HydrophobicContact CB-CG 4.01Å; E950-F956 WeakPolarHBondContact O-CB 3.18Å; E950-F956 WeakPolarHBondContact O-CD1 3.44Å; E950-F956 WeakPolarHBondContact O-CG 3.34Å
951L85.3Confident86.2Confident50 Ų5064.3 Ų64.326%0.26233%0.333SS..THydrogen-bonded Turntrans-53.9-36.7-177-174.561.4000115.9L198 V948 P949 E953 F956 Q957L198-L951 HydrophobicContact CD1-CD1 4.01Å; L198-L951 HydrophobicContact CD2-CD1 4Å; L198-L951 HydrophobicContact CD2-CD2 4.29Å; V948-L951 HydrophobicContact CB-CB 4.49Å; V948-L951 HydrophobicContact CG1-CB 4.31Å; V948-L951 WeakPolarHBondContact O-CB 3.39Å; V948-L951 PolarHBondContact O-N 3.29Å; P949-L951 VanDerWaalsContact C-N 3.31Å; L951-E953 VanDerWaalsContact C-N 3.32Å; L951-F956 HydrophobicContact CD1-CE1 4.18Å; L951-Q957 VanDerWaalsContact O-CG 3.32Å; L951-Q957 WeakPolarHBondContact O-CG 3.43Å; L951-Q957 PolarHBondContact O-NE2 2.86Å
952P84.3Confident85Confident101 Ų10168.1 Ų68.166%0.65635%0.349SS*.THydrogen-bonded Turntrans-79.4-5.6175.932.4-35.9000114.4P949 E950 E954P949-P952 WeakPolarHBondContact O-CD 3.42Å; E950-P952 VanDerWaalsContact C-CD 3.41Å; P952-E954 PolarHBondContact O-N 3.32Å
953E88.9Confident83.5Confident115 Ų11568.8 Ų68.854%0.53735%0.354SS..  trans-75.7124.7-179.9-60.3-175.7174.700111.3E950 L951 D955 F956 Q957E950-E953 WeakPolarHBondContact O-CB 3.43Å; E950-E953 PolarHBondContact O-N 2.93Å; L951-E953 VanDerWaalsContact C-N 3.32Å; E953-D955 PolarHBondContact O-N 3.34Å; E953-F956 HydrophobicContact CB-CB 4.01Å; E953-F956 PolarHBondContact O-N 2.86Å; E953-F956 VanDerWaalsContact O-N 3.13Å; E953-Q957 WeakPolarHBondContact O-CG 3.32Å; E953-Q957 PolarHBondContact O-N 3.48Å
954E84.7Confident82Confident120 Ų12069.8 Ų69.856%0.56136%0.359SS*.Hα-helixtrans-57.2-36.7-177.5-61.8-167.5141.200113.2P952 Q957 R958P952-E954 PolarHBondContact O-N 3.32Å; E954-Q957 PolarHBondContact O-N 2.88Å; E954-R958 VanDerWaalsContact CB-NH1 3.32Å; E954-R958 VanDerWaalsContact CD-NH2 3.3Å; E954-R958 WeakPolarHBondContact O-CB 3.31Å; E954-R958 WeakPolarHBondContact O-CD 3.34Å; E954-R958 WeakPolarHBondContact O-CG 3.48Å; E954-R958 PolarHBondContact O-N 2.93Å; E954-R958 IonicContact OE1-NH2 3.43Å; E954-R958 IonicContact OE2-CZ 2.75Å; E954-R958 VanDerWaalsContact OE2-CZ 3.25Å; E954-R958 IonicContact OE2-NH1 2.59Å; E954-R958 PolarHBondContact OE2-NH1 3.45Å; E954-R958 IonicContact OE2-NH2 3.6Å; E954-R958 PolarHBondContact OE2-NH2 2.85Å
955D84.8Confident80.1Confident113 Ų11372.4 Ų72.460%0.60438%0.383SS*.Hα-helixtrans-76-31.4-178.7-71.9-25.5000112.4E953 R958 S959E953-D955 PolarHBondContact O-N 3.34Å; D955-R958 PolarHBondContact O-N 3.3Å; D955-R958 WeakPolarHBondContact OD1-CD 3.41Å; D955-R958 IonicContact OD1-CZ 3.97Å; D955-R958 IonicContact OD1-NE 2.76Å; D955-R958 IonicContact OD1-NH1 3.48Å; D955-R958 PolarHBondContact OD1-NH1 3.38Å; D955-S959 WeakPolarHBondContact O-CB 3.3Å; D955-S959 PolarHBondContact O-N 2.88Å
956F86.9Confident77.9Confident30 Ų3074.1 Ų74.113%0.13239%0.386CS..Hα-helixtrans-66-45.4167.7178.4-96.5000110.9L198 H201 V202 V948 E950 L951 E953 R958 S959 L960L198-F956 HydrophobicContact CD1-CE1 3.69Å; L198-F956 HydrophobicContact CD1-CZ 3.72Å; H201-F956 AromaticContact CD2-CE2 3.82Å; V202-F956 HydrophobicContact CG2-CE2 3.96Å; V202-F956 HydrophobicContact CG2-CZ 3.61Å; V948-F956 HydrophobicContact CG1-CE1 4.04Å; V948-F956 HydrophobicContact CG1-CZ 3.8Å; E950-F956 HydrophobicContact CB-CB 4.4Å; E950-F956 HydrophobicContact CB-CD1 4.43Å; E950-F956 HydrophobicContact CB-CD2 4.01Å; E950-F956 HydrophobicContact CB-CE2 4.43Å; E950-F956 HydrophobicContact CB-CG 4.01Å; E950-F956 WeakPolarHBondContact O-CB 3.18Å; E950-F956 WeakPolarHBondContact O-CD1 3.44Å; E950-F956 WeakPolarHBondContact O-CG 3.34Å; L951-F956 HydrophobicContact CD1-CE1 4.18Å; E953-F956 HydrophobicContact CB-CB 4.01Å; E953-F956 PolarHBondContact O-N 2.86Å; E953-F956 VanDerWaalsContact O-N 3.13Å; F956-R958 VanDerWaalsContact C-N 3.35Å; F956-R958 PolarHBondContact O-N 2.89Å; F956-S959 WeakPolarHBondContact O-CB 3.43Å; F956-S959 PolarHBondContact O-N 3.46Å; F956-S959 VanDerWaalsContact O-N 3.16Å; F956-L960 WeakPolarHBondContact O-CB 3.27Å; F956-L960 PolarHBondContact O-N 3Å
957Q83.1Confident75.4Confident85 Ų8579.5 Ų79.540%0.39742%0.416SS..Hα-helixtrans-60.6-42.1174.6-67.6178.29.200111.8L951 E953 E954 L960 L961L951-Q957 VanDerWaalsContact O-CG 3.32Å; L951-Q957 WeakPolarHBondContact O-CG 3.43Å; L951-Q957 PolarHBondContact O-NE2 2.86Å; E953-Q957 WeakPolarHBondContact O-CG 3.32Å; E953-Q957 PolarHBondContact O-N 3.48Å; E954-Q957 PolarHBondContact O-N 2.88Å; Q957-L960 PolarHBondContact O-N 3.49Å; Q957-L961 VanDerWaalsContact O-CB 3.25Å; Q957-L961 WeakPolarHBondContact O-CB 3.49Å; Q957-L961 VanDerWaalsContact O-CG 3.23Å; Q957-L961 WeakPolarHBondContact O-CG 3.35Å; Q957-L961 PolarHBondContact O-N 2.88Å
958R79.8Confident72.7Confident114 Ų11483.1 Ų83.143%0.4344%0.442SS..Hα-helixtrans-60.9-43.4172.8-74161.5-175.4134.512.6111.7E954 D955 F956 Q962E954-R958 VanDerWaalsContact CB-NH1 3.32Å; E954-R958 VanDerWaalsContact CD-NH2 3.3Å; E954-R958 WeakPolarHBondContact O-CB 3.31Å; E954-R958 WeakPolarHBondContact O-CD 3.34Å; E954-R958 WeakPolarHBondContact O-CG 3.48Å; E954-R958 PolarHBondContact O-N 2.93Å; E954-R958 IonicContact OE1-NH2 3.43Å; E954-R958 IonicContact OE2-CZ 2.75Å; E954-R958 VanDerWaalsContact OE2-CZ 3.25Å; E954-R958 IonicContact OE2-NH1 2.59Å; E954-R958 PolarHBondContact OE2-NH1 3.45Å; E954-R958 IonicContact OE2-NH2 3.6Å; E954-R958 PolarHBondContact OE2-NH2 2.85Å; D955-R958 PolarHBondContact O-N 3.3Å; D955-R958 WeakPolarHBondContact OD1-CD 3.41Å; D955-R958 IonicContact OD1-CZ 3.97Å; D955-R958 IonicContact OD1-NE 2.76Å; D955-R958 IonicContact OD1-NH1 3.48Å; D955-R958 PolarHBondContact OD1-NH1 3.38Å; F956-R958 VanDerWaalsContact C-N 3.35Å; F956-R958 PolarHBondContact O-N 2.89Å; R958-Q962 VanDerWaalsContact O-CB 3.3Å; R958-Q962 WeakPolarHBondContact O-CB 3.3Å; R958-Q962 WeakPolarHBondContact O-CG 3.4Å; R958-Q962 PolarHBondContact O-N 3.42Å
959S79.4Confident69.9Low49 Ų4992.2 Ų92.234%0.34348%0.484SS..Hα-helixtrans-62-47.5176.2176.70000112.1H201 D955 F956 Q962 T963H201-S959 PolarHBondContact CE1-OG 2.81Å; H201-S959 VanDerWaalsContact CE1-OG 3.28Å; H201-S959 PolarHBondContact NE2-OG 2.89Å; D955-S959 WeakPolarHBondContact O-CB 3.3Å; D955-S959 PolarHBondContact O-N 2.88Å; F956-S959 WeakPolarHBondContact O-CB 3.43Å; F956-S959 PolarHBondContact O-N 3.46Å; F956-S959 VanDerWaalsContact O-N 3.16Å; S959-Q962 PolarHBondContact O-N 2.88Å; S959-T963 WeakPolarHBondContact O-CB 3.29Å; S959-T963 PolarHBondContact O-N 2.94Å; S959-T963 PolarHBondContact O-OG1 3.38Å
960L77.7Confident67.3Low25 Ų2597.1 Ų97.113%0.13150%0.497CS..Hα-helixtrans-61.7-49.4177.2-177.866.6000111L198 H201 F956 Q957 Q962 T963 L964L198-L960 HydrophobicContact CD1-CD1 4.41Å; L198-L960 HydrophobicContact CD1-CD2 3.81Å; H201-L960 HydrophobicContact CB-CD1 3.68Å; F956-L960 WeakPolarHBondContact O-CB 3.27Å; F956-L960 PolarHBondContact O-N 3Å; Q957-L960 PolarHBondContact O-N 3.49Å; L960-Q962 PolarHBondContact O-N 3.14Å; L960-T963 WeakPolarHBondContact O-CB 3.33Å; L960-T963 PolarHBondContact O-N 3.3Å; L960-T963 VanDerWaalsContact O-N 3.11Å; L960-L964 HydrophobicContact CG-CD1 4.16Å; L960-L964 WeakPolarHBondContact O-CG 3.35Å; L960-L964 PolarHBondContact O-N 3.41Å
961L71.1Confident64.5Low108 Ų108103.7 Ų103.757%0.56553%0.53SS*.Hα-helixtrans-62.1-41.9177-73.6172.2000112.2Q957 T963 L964 A965Q957-L961 VanDerWaalsContact O-CB 3.25Å; Q957-L961 WeakPolarHBondContact O-CB 3.49Å; Q957-L961 VanDerWaalsContact O-CG 3.23Å; Q957-L961 WeakPolarHBondContact O-CG 3.35Å; Q957-L961 PolarHBondContact O-N 2.88Å; L961-T963 VanDerWaalsContact C-N 3.28Å; L961-T963 PolarHBondContact O-N 3.46Å; L961-L964 PolarHBondContact O-N 3.22Å; L961-A965 WeakPolarHBondContact O-CA 3.35Å; L961-A965 WeakPolarHBondContact O-CB 3.31Å; L961-A965 PolarHBondContact O-N 2.94Å
962Q68.3Low61.9Low132 Ų132109.3 Ų109.362%0.61756%0.56SS**Hα-helixtrans-64.4-33.3173.6-75.3174.633.600112.3R958 S959 L960 K966R958-Q962 VanDerWaalsContact O-CB 3.3Å; R958-Q962 WeakPolarHBondContact O-CB 3.3Å; R958-Q962 WeakPolarHBondContact O-CG 3.4Å; R958-Q962 PolarHBondContact O-N 3.42Å; S959-Q962 PolarHBondContact O-N 2.88Å; L960-Q962 PolarHBondContact O-N 3.14Å; Q962-K966 WeakPolarHBondContact O-CG 3.32Å; Q962-K966 PolarHBondContact O-N 3.2Å
963T63.8Low59.3Low32 Ų32114.8 Ų114.820%0.19659%0.591CS.*Hα-helixtrans-71.4-35.6176.6-56.50000111.7H201 S959 L960 L961H201-T963 PolarHBondContact CE1-OG1 3.28Å; H201-T963 VanDerWaalsContact CE1-OG1 3.28Å; H201-T963 PolarHBondContact ND1-OG1 2.89Å; S959-T963 WeakPolarHBondContact O-CB 3.29Å; S959-T963 PolarHBondContact O-N 2.94Å; S959-T963 PolarHBondContact O-OG1 3.38Å; L960-T963 WeakPolarHBondContact O-CB 3.33Å; L960-T963 PolarHBondContact O-N 3.3Å; L960-T963 VanDerWaalsContact O-N 3.11Å; L961-T963 VanDerWaalsContact C-N 3.28Å; L961-T963 PolarHBondContact O-N 3.46Å
964L59.2Low57.8Low102 Ų102114.8 Ų114.853%0.53459%0.594SS.*Hα-helixtrans-75.1-39.9173.7-69.2168.3000112.6A197 L960 L961 K966A197-L964 HydrophobicContact CB-CD2 3.87Å; L960-L964 HydrophobicContact CG-CD1 4.16Å; L960-L964 WeakPolarHBondContact O-CG 3.35Å; L960-L964 PolarHBondContact O-N 3.41Å; L961-L964 PolarHBondContact O-N 3.22Å; L964-K966 PolarHBondContact O-N 3.12Å
965A49.8Very low56.4Low72 Ų72114.5 Ų114.560%0.59560%0.596SS**  trans-92.820.9-170.900000114.3L961 N967L961-A965 WeakPolarHBondContact O-CA 3.35Å; L961-A965 WeakPolarHBondContact O-CB 3.31Å; L961-A965 PolarHBondContact O-N 2.94Å; A965-N967 PolarHBondContact O-N 2.97Å
966K44.2Very low54.8Low125 Ų125114.6 Ų114.654%0.54360%0.595SS.*  trans-70.942.6173.6-97.2170.5-176176.80113.8N212 Q962 L964 P968N212-K966 PolarHBondContact ND2-O 3.31Å; Q962-K966 WeakPolarHBondContact O-CG 3.32Å; Q962-K966 PolarHBondContact O-N 3.2Å; L964-K966 PolarHBondContact O-N 3.12Å; K966-P968 WeakPolarHBondContact O-CD 3.5Å
967N36.8Very low52.9Low139 Ų139119.5 Ų119.574%0.74362%0.622SS**  trans-98.579.7155.1-94-50.1000108.7A965A965-N967 PolarHBondContact O-N 2.97Å
968P33.8Very low51Low103 Ų103121.7 Ų121.767%0.66964%0.637SS**THydrogen-bonded Turntrans-62.5152.8169.830.2-35.6000110.6K966K966-P968 WeakPolarHBondContact O-CD 3.5Å
969E31.7Very low49.1Very low190 Ų190122.2 Ų122.289%0.88865%0.65SS**THydrogen-bonded Turntrans69.831.2167.1-54.7-177.6179.900118.2
970K32.3Very low46.9Very low184 Ų184127.4 Ų127.480%0.867%0.672SS**SBendtrans-130.916.7168.9-86.9-161174.1-1750118.7
971M29.1Very low44.6Very low189 Ų189135.3 Ų135.393%0.93171%0.714SS**SBendtrans-12431.1170.3-60.1-132.690.200113.5
972L30.7Very low42.3Very low168 Ų168137.6 Ų137.688%0.8873%0.726SS**  trans-138.767.9175.1-85.3174.1000112
973T28.3Very low40Very low215 Ų215138.1 Ų138.1100%1.31974%0.736SS**  trans-162.20159.631.50000109.3

Retrieved 973 of 973 residues in 182.5 ms (Link to these results)

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