A0A060D7Q3_MAIZE Loading...

MYB transcription factor

Transcription factor.

AlphaFold DB (K7TQE6), UniProt , Accession A0A060D7Q3, Species MAIZE (Zea mays, Maize), Gene MYB88, Length 228 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
1M42.9Very low66.2Low211 Ų211144.6 Ų144.6100%1.03972%0.722SS**  0115.30-68.6177.4-174.200108.2T3M1-T3 PolarHBondContact O-N 3.17Å
2V42.3Very low68.6Low141 Ų141141.5 Ų141.586%0.85572%0.719SS**  trans-78.9106.4173.5178.70000106.4V4V2-V4 PolarHBondContact O-N 3.09Å; V2-V4 VanDerWaalsContact O-N 3.09Å
3T51.3Low70.8Confident118 Ų118134 Ų13472%0.72468%0.677SS**  trans-67.7107.5170.442.20000107.5M1 R5M1-T3 PolarHBondContact O-N 3.17Å; T3-R5 PolarHBondContact O-N 3.48Å
4V51.8Low72.7Confident123 Ų123127.8 Ų127.875%0.74565%0.649SS**  trans-55.5109.2165.2177.60000105.1V2 E6V2-V4 PolarHBondContact O-N 3.09Å; V2-V4 VanDerWaalsContact O-N 3.09Å; V4-E6 PolarHBondContact O-N 3.18Å
5R56.3Low74.3Confident231 Ų231127.9 Ų127.987%0.87265%0.646SS**  trans-66.893.3168.3-67.7-179.3-177.8179.40.4104.7T3 E7T3-R5 PolarHBondContact O-N 3.48Å; R5-E7 PolarHBondContact O-N 2.81Å; R5-E7 VanDerWaalsContact O-N 3.13Å
6E62.8Low75.7Confident142 Ų142127.1 Ų127.166%0.66464%0.639SS**PPolyproline II helixtrans-49.5124172.3-77.2-175.3161.100107.3V4 M8V4-E6 PolarHBondContact O-N 3.18Å; E6-M8 PolarHBondContact O-N 3.17Å; E6-M8 VanDerWaalsContact O-N 3.13Å
7E74.4Confident77Confident179 Ų179120.4 Ų120.484%0.83661%0.606SS**PPolyproline II helixtrans-59.1124.9-177.8-66.7-170.6167.600108.8R5 R9 N43R5-E7 PolarHBondContact O-N 2.81Å; R5-E7 VanDerWaalsContact O-N 3.13Å; E7-R9 PolarHBondContact O-N 3.35Å; E7-N43 PolarHBondContact O-ND2 3.09Å
8M82.2Confident78.2Confident95 Ų95114.9 Ų114.947%0.46858%0.578SS.*PPolyproline II helixtrans-59.1124.8-175.4-179159.743.100111.6E6 K10 T45E6-M8 PolarHBondContact O-N 3.17Å; E6-M8 VanDerWaalsContact O-N 3.13Å; M8-K10 PolarHBondContact O-N 3.43Å; M8-T45 HydrophobicContact CE-CG2 3.36Å; M8-T45 HydrophobicContact SD-CG2 3.12Å; M8-T45 WeakPolarHBondContact SD-CG2 3.31Å; M8-T45 PolarHBondContact SD-N 3.35Å
9R86Confident79.2Confident113 Ų113113.7 Ų113.743%0.42657%0.573SS.*PPolyproline II helixtrans-63.4123.5-174.7-176.7179.7157.281.53.9111.1E7 E17 N43 R44E7-R9 PolarHBondContact O-N 3.35Å; R9-E17 IonicContact NE-OE1 3.54Å; R9-E17 IonicContact NE-OE2 3.65Å; R9-N43 HydrophobicContact CB-CB 4.43Å; R9-N43 WeakPolarHBondContact CB-O 3.45Å; R9-N43 PolarHBondContact N-O 2.94Å; R9-R44 WeakPolarHBondContact O-CD 3.06Å; R9-R44 PolarHBondContact O-NH1 2.68Å
10K86.7Confident80.1Confident192 Ų192111.8 Ų111.884%0.83556%0.562SS**PPolyproline II helixtrans-99.9155.4170-63.1174-174.1170.30109.5M8M8-K10 PolarHBondContact O-N 3.43Å
11G92Very high81Confident46 Ų46106.5 Ų106.547%0.47454%0.535SS..SBendtrans109.4-172.2177.200000114.3R44G11-R44 PolarHBondContact O-NH1 2.05Å; G11-R44 PolarHBondContact O-NH2 3Å
12P95Very high83.6Confident107 Ų10797.1 Ų97.170%0.69549%0.49SS*.PPolyproline II helixtrans-62.4150.6-173.526.9-34.6000111.8R44P12-R44 PolarHBondContact O-NH2 3.12Å
13W97.1Very high86.2Confident44 Ų4491.3 Ų91.317%0.16746%0.455CS..PPolyproline II helixtrans-76.2131.2173.1-77.381.4000109.6E17 L21 L42 R44 S48 R52W13-E17 WeakPolarHBondContact CA-OE2 3.48Å; W13-E17 HydrophobicContact CE3-CB 3.61Å; W13-E17 HydrophobicContact CZ3-CB 3.95Å; W13-L21 HydrophobicContact CH2-CD2 3.82Å; W13-L21 HydrophobicContact CZ3-CB 4.4Å; W13-L21 HydrophobicContact CZ3-CD2 3.87Å; W13-L42 HydrophobicContact CH2-CD1 4.21Å; W13-L42 HydrophobicContact CZ3-CD1 3.97Å; W13-R44 HydrophobicContact CH2-CB 4.18Å; W13-R44 HydrophobicContact CH2-CG 3.9Å; W13-R44 HydrophobicContact CZ2-CB 4.37Å; W13-R44 HydrophobicContact CZ2-CG 4.1Å; W13-R44 HydrophobicContact CZ3-CG 4.4Å; W13-S48 WeakPolarHBondContact CZ2-OG 3.14Å; W13-R52 HydrophobicContact CD2-CB 4.06Å; W13-R52 HydrophobicContact CD2-CG 3.57Å; W13-R52 HydrophobicContact CE3-CG 3.9Å; W13-R52 HydrophobicContact CG-CG 3.91Å; W13-R52 HydrophobicContact CH2-CB 4.21Å; W13-R52 HydrophobicContact CH2-CG 4.39Å; W13-R52 HydrophobicContact CZ2-CB 3.64Å; W13-R52 HydrophobicContact CZ2-CG 4.07Å; W13-R52 HydrophobicContact CZ3-CG 4.3Å
14T96.9Very high88.5Confident47 Ų4786.4 Ų86.429%0.28843%0.425SS..PPolyproline II helixtrans-85.3159.8170.672.40000110.6Q16 E17 D18T14-Q16 PolarHBondContact O-N 3.47Å; T14-E17 PolarHBondContact N-OE2 3.44Å; T14-E17 WeakPolarHBondContact O-CB 3.36Å; T14-E17 PolarHBondContact O-N 2.91Å; T14-E17 VanDerWaalsContact O-N 3.16Å; T14-E17 WeakPolarHBondContact OG1-CG 3.48Å; T14-E17 PolarHBondContact OG1-N 3.45Å; T14-D18 PolarHBondContact O-N 3.26Å
15E97.2Very high90.7Very high129 Ų12980.8 Ų80.860%0.60339%0.391SS*.Hα-helixtrans-60.6-36.6175.5-174177-167.400111.7E17 D18 I19E15-E17 VanDerWaalsContact C-N 3.35Å; E15-E17 PolarHBondContact O-N 3.07Å; E15-D18 WeakPolarHBondContact O-CB 3.36Å; E15-D18 PolarHBondContact O-N 3.01Å; E15-I19 HydrophobicContact CG-CD1 4.16Å; E15-I19 VanDerWaalsContact O-CG1 3.29Å; E15-I19 WeakPolarHBondContact O-CG1 3.28Å; E15-I19 PolarHBondContact O-N 3.37Å
16Q97Very high92.6Very high115 Ų11576.5 Ų76.554%0.53738%0.375SS..Hα-helixtrans-64.6-39.1175.7-64.574.62000111.9T14 D18 Q20T14-Q16 PolarHBondContact O-N 3.47Å; Q16-D18 VanDerWaalsContact C-N 3.34Å; Q16-Q20 WeakPolarHBondContact O-CG 3.43Å; Q16-Q20 PolarHBondContact O-N 3.29Å; Q16-Q20 VanDerWaalsContact O-N 3.12Å; Q16-Q20 PolarHBondContact O-NE2 3.33Å
17E97.6Very high94.3Very high14 Ų1476 Ų767%0.06538%0.376CS..Hα-helixtrans-65.2-41174.1-70.4178.1115.600110.9R9 W13 T14 E15 Q20 L21 L42 R44R9-E17 IonicContact NE-OE1 3.54Å; R9-E17 IonicContact NE-OE2 3.65Å; W13-E17 WeakPolarHBondContact CA-OE2 3.48Å; W13-E17 HydrophobicContact CE3-CB 3.61Å; W13-E17 HydrophobicContact CZ3-CB 3.95Å; T14-E17 PolarHBondContact N-OE2 3.44Å; T14-E17 WeakPolarHBondContact O-CB 3.36Å; T14-E17 PolarHBondContact O-N 2.91Å; T14-E17 VanDerWaalsContact O-N 3.16Å; T14-E17 WeakPolarHBondContact OG1-CG 3.48Å; T14-E17 PolarHBondContact OG1-N 3.45Å; E15-E17 VanDerWaalsContact C-N 3.35Å; E15-E17 PolarHBondContact O-N 3.07Å; E17-Q20 PolarHBondContact O-N 3.48Å; E17-L21 WeakPolarHBondContact O-CB 3.4Å; E17-L21 PolarHBondContact O-N 3.16Å; E17-L42 HydrophobicContact CB-CD2 3.76Å; E17-L42 HydrophobicContact CG-CD2 3.85Å; E17-R44 VanDerWaalsContact CD-NH2 3.35Å; E17-R44 IonicContact OE1-CZ 3.2Å; E17-R44 VanDerWaalsContact OE1-CZ 3.31Å; E17-R44 IonicContact OE1-NE 2.86Å; E17-R44 PolarHBondContact OE1-NE 3.25Å; E17-R44 IonicContact OE1-NH2 3.02Å; E17-R44 PolarHBondContact OE1-NH2 3.28Å; E17-R44 IonicContact OE2-CZ 3.85Å; E17-R44 IonicContact OE2-NE 3.67Å; E17-R44 IonicContact OE2-NH2 2.8Å; E17-R44 PolarHBondContact OE2-NH2 2.93Å
18D98.1Very high95.3Very high22 Ų2271.5 Ų71.512%0.11835%0.354CS..Hα-helixtrans-63.3-44.3177.5-71.3-25.6000111.7T14 E15 Q16 L21 V22 R52 L57T14-D18 PolarHBondContact O-N 3.26Å; E15-D18 WeakPolarHBondContact O-CB 3.36Å; E15-D18 PolarHBondContact O-N 3.01Å; Q16-D18 VanDerWaalsContact C-N 3.34Å; D18-L21 PolarHBondContact O-N 3.12Å; D18-V22 WeakPolarHBondContact O-CB 3.29Å; D18-V22 WeakPolarHBondContact O-CG2 3.34Å; D18-V22 PolarHBondContact O-N 2.9Å; D18-R52 IonicContact OD1-CZ 2.81Å; D18-R52 IonicContact OD1-NE 2.74Å; D18-R52 PolarHBondContact OD1-NE 2.93Å; D18-R52 IonicContact OD1-NH2 3.31Å; D18-R52 PolarHBondContact OD1-NH2 3.4Å; D18-R52 IonicContact OD2-CZ 3.79Å; D18-R52 IonicContact OD2-NE 3.04Å; D18-R52 IonicContact OD2-NH2 3.9Å; D18-R52 PolarHBondContact OD2-NH2 2.7Å; D18-L57 HydrophobicContact CB-CD1 3.94Å; D18-L57 HydrophobicContact CB-CD2 3.8Å
19I97.7Very high96.1Very high92 Ų9268.3 Ų68.347%0.47235%0.345SS..Hα-helixtrans-60.3-47.6176.9-68.2163.1000110.6E15 L21 V22 C23E15-I19 HydrophobicContact CG-CD1 4.16Å; E15-I19 VanDerWaalsContact O-CG1 3.29Å; E15-I19 WeakPolarHBondContact O-CG1 3.28Å; E15-I19 PolarHBondContact O-N 3.37Å; I19-L21 PolarHBondContact O-N 3.4Å; I19-V22 PolarHBondContact O-N 3.42Å; I19-C23 WeakPolarHBondContact O-CB 3.19Å; I19-C23 PolarHBondContact O-N 3.26Å; I19-C23 PolarHBondContact O-SG 2.99Å; I19-C23 VanDerWaalsContact O-SG 3.33Å
20Q97.2Very high96.6Very high75 Ų7566.8 Ų66.835%0.3535%0.346SS..Hα-helixtrans-58.1-49.1177-76.2174.958.600110.9Q16 E17 V22 C23 T24 S40 L42Q16-Q20 WeakPolarHBondContact O-CG 3.43Å; Q16-Q20 PolarHBondContact O-N 3.29Å; Q16-Q20 VanDerWaalsContact O-N 3.12Å; Q16-Q20 PolarHBondContact O-NE2 3.33Å; E17-Q20 PolarHBondContact O-N 3.48Å; Q20-V22 VanDerWaalsContact C-N 3.35Å; Q20-V22 PolarHBondContact O-N 3.36Å; Q20-C23 PolarHBondContact O-N 3.32Å; Q20-T24 PolarHBondContact O-N 3.26Å; Q20-T24 PolarHBondContact O-OG1 3.19Å; Q20-S40 PolarHBondContact OE1-O 3.19Å; Q20-L42 HydrophobicContact CB-CD2 3.99Å; Q20-L42 HydrophobicContact CB-CG 4.34Å
21L98.2Very high97Very high0 Ų063.5 Ų63.50%033%0.333CS..Hα-helixtrans-58.7-46.3178.2-177.555.1000111.6W13 E17 D18 I19 T24 V25 W33 I36 L42 C49 R52 L57W13-L21 HydrophobicContact CH2-CD2 3.82Å; W13-L21 HydrophobicContact CZ3-CB 4.4Å; W13-L21 HydrophobicContact CZ3-CD2 3.87Å; E17-L21 WeakPolarHBondContact O-CB 3.4Å; E17-L21 PolarHBondContact O-N 3.16Å; D18-L21 PolarHBondContact O-N 3.12Å; I19-L21 PolarHBondContact O-N 3.4Å; L21-T24 PolarHBondContact O-N 3.2Å; L21-V25 HydrophobicContact CD1-CG2 3.91Å; L21-V25 HydrophobicContact CG-CG2 4.37Å; L21-V25 WeakPolarHBondContact O-CB 3.46Å; L21-V25 WeakPolarHBondContact O-CG2 3.42Å; L21-V25 PolarHBondContact O-N 3.43Å; L21-W33 HydrophobicContact CD1-CZ3 4.44Å; L21-I36 HydrophobicContact CD1-CG2 3.78Å; L21-L42 HydrophobicContact CB-CD1 3.82Å; L21-L42 HydrophobicContact CD1-CD1 4.27Å; L21-C49 HydrophobicContact CD1-CB 3.8Å; L21-C49 HydrophobicContact CD2-CB 4.29Å; L21-R52 HydrophobicContact CD2-CB 4.05Å; L21-R52 HydrophobicContact CD2-CG 4.09Å; L21-L57 HydrophobicContact CB-CD1 4.33Å; L21-L57 HydrophobicContact CD2-CD1 3.8Å; L21-L57 HydrophobicContact CG-CD1 4.26Å
22V98.2Very high97.3Very high15 Ų1567 Ų679%0.09133%0.332CS..Hα-helixtrans-60.9-46.6178.71710000111.1D18 I19 Q20 V25 R26 W53 L57D18-V22 WeakPolarHBondContact O-CB 3.29Å; D18-V22 WeakPolarHBondContact O-CG2 3.34Å; D18-V22 PolarHBondContact O-N 2.9Å; I19-V22 PolarHBondContact O-N 3.42Å; Q20-V22 VanDerWaalsContact C-N 3.35Å; Q20-V22 PolarHBondContact O-N 3.36Å; V22-V25 PolarHBondContact O-N 2.9Å; V22-R26 HydrophobicContact CG1-CG 4.45Å; V22-R26 WeakPolarHBondContact O-CB 3.37Å; V22-R26 VanDerWaalsContact O-CG 3.28Å; V22-R26 WeakPolarHBondContact O-CG 3.22Å; V22-R26 PolarHBondContact O-N 3.22Å; V22-W53 HydrophobicContact CB-CZ3 4.31Å; V22-W53 HydrophobicContact CG1-CZ3 4.48Å; V22-W53 HydrophobicContact CG2-CZ3 3.93Å; V22-L57 HydrophobicContact CG2-CB 4.13Å; V22-L57 HydrophobicContact CG2-CD1 4.09Å
23C97.5Very high97.4Very high19 Ų1963.3 Ų63.313%0.12830%0.304CS..Hα-helixtrans-63.5-45.8178.8-68.50000111.4I19 Q20 V25 R26 L27 C214I19-C23 WeakPolarHBondContact O-CB 3.19Å; I19-C23 PolarHBondContact O-N 3.26Å; I19-C23 PolarHBondContact O-SG 2.99Å; I19-C23 VanDerWaalsContact O-SG 3.33Å; Q20-C23 PolarHBondContact O-N 3.32Å; C23-V25 PolarHBondContact O-N 2.95Å; C23-R26 PolarHBondContact O-N 3.43Å; C23-L27 WeakPolarHBondContact O-CG 3.2Å; C23-L27 PolarHBondContact O-N 2.86Å; C23-C214 HydrophobicContact CB-CB 4.35Å; C23-C214 WeakPolarHBondContact CB-SG 3.47Å; C23-C214 WeakPolarHBondContact SG-CB 3.39Å; C23-C214 CovalentContact SG-SG 2.05Å; C23-C214 PolarHBondContact SG-SG 3.42Å
24T97.9Very high97.4Very high14 Ų1467.1 Ų67.19%0.08633%0.328CS..Hα-helixtrans-62.1-43.1177.6-53.90000112Q20 L21 L27 F28 I36 V39 S40Q20-T24 PolarHBondContact O-N 3.26Å; Q20-T24 PolarHBondContact O-OG1 3.19Å; L21-T24 PolarHBondContact O-N 3.2Å; T24-L27 PolarHBondContact O-N 3.3Å; T24-F28 HydrophobicContact CG2-CD2 3.7Å; T24-F28 HydrophobicContact CG2-CE2 4.12Å; T24-F28 WeakPolarHBondContact O-CD2 3.1Å; T24-F28 PolarHBondContact O-N 2.9Å; T24-I36 HydrophobicContact CG2-CB 4.45Å; T24-I36 HydrophobicContact CG2-CG2 3.89Å; T24-V39 HydrophobicContact CG2-CG2 3.63Å; T24-S40 WeakPolarHBondContact OG1-CA 3.42Å; T24-S40 VanDerWaalsContact OG1-CB 3.31Å; T24-S40 WeakPolarHBondContact OG1-CB 3.48Å
25V98.2Very high97.3Very high6 Ų668.1 Ų68.14%0.03633%0.328CS..Hα-helixtrans-65.8-37.9177.2174.50000111.4L21 V22 C23 L27 G29 D30 W33 I36 W53L21-V25 HydrophobicContact CD1-CG2 3.91Å; L21-V25 HydrophobicContact CG-CG2 4.37Å; L21-V25 WeakPolarHBondContact O-CB 3.46Å; L21-V25 WeakPolarHBondContact O-CG2 3.42Å; L21-V25 PolarHBondContact O-N 3.43Å; V22-V25 PolarHBondContact O-N 2.9Å; C23-V25 PolarHBondContact O-N 2.95Å; V25-L27 VanDerWaalsContact C-N 3.29Å; V25-L27 PolarHBondContact O-N 3.4Å; V25-G29 CarbonylContact O-C 3.56Å; V25-G29 WeakPolarHBondContact O-CA 3.31Å; V25-G29 PolarHBondContact O-N 3.46Å; V25-D30 HydrophobicContact CG1-CB 3.74Å; V25-W33 HydrophobicContact CG2-CH2 4.11Å; V25-W33 HydrophobicContact CG2-CZ3 3.85Å; V25-I36 HydrophobicContact CG2-CD1 4.29Å; V25-I36 HydrophobicContact CG2-CG2 4.05Å; V25-W53 HydrophobicContact CB-CD2 4.48Å; V25-W53 HydrophobicContact CB-CE3 4.17Å; V25-W53 HydrophobicContact CB-CH2 4.02Å; V25-W53 HydrophobicContact CB-CZ2 4.32Å; V25-W53 HydrophobicContact CB-CZ3 3.94Å; V25-W53 HydrophobicContact CG1-CD2 4.05Å; V25-W53 HydrophobicContact CG1-CE3 4.15Å; V25-W53 HydrophobicContact CG1-CH2 3.57Å; V25-W53 HydrophobicContact CG1-CZ2 3.41Å; V25-W53 VanDerWaalsContact CG1-CZ2 3.41Å; V25-W53 HydrophobicContact CG1-CZ3 3.94Å; V25-W53 HydrophobicContact CG2-CD2 4.25Å; V25-W53 HydrophobicContact CG2-CE3 4.05Å; V25-W53 HydrophobicContact CG2-CZ3 4.31Å
26R97.5Very high97.4Very high140 Ų14062.1 Ų62.153%0.52830%0.3SS..Hα-helixtrans-62.4-35.7174.6-77.1176.5176.5-176.2-0.4112.6V22 C23 Y212V22-R26 HydrophobicContact CG1-CG 4.45Å; V22-R26 WeakPolarHBondContact O-CB 3.37Å; V22-R26 VanDerWaalsContact O-CG 3.28Å; V22-R26 WeakPolarHBondContact O-CG 3.22Å; V22-R26 PolarHBondContact O-N 3.22Å; C23-R26 PolarHBondContact O-N 3.43Å; R26-Y212 PolarHBondContact NH1-O 3.39Å
27L97Very high97.3Very high132 Ų13257 Ų5769%0.69128%0.278SS*.Hα-helixtrans-78-41.3-179.7-69.1170.5000113.1C23 T24 V25C23-L27 WeakPolarHBondContact O-CG 3.2Å; C23-L27 PolarHBondContact O-N 2.86Å; T24-L27 PolarHBondContact O-N 3.3Å; V25-L27 VanDerWaalsContact C-N 3.29Å; V25-L27 PolarHBondContact O-N 3.4Å
28F97.1Very high97.2Very high85 Ų8563.8 Ų63.837%0.37331%0.309SS..Hα-helixtrans-112-5.2-170.2-60.3-69.8000115T24 H31 F35 V39T24-F28 HydrophobicContact CG2-CD2 3.7Å; T24-F28 HydrophobicContact CG2-CE2 4.12Å; T24-F28 WeakPolarHBondContact O-CD2 3.1Å; T24-F28 PolarHBondContact O-N 2.9Å; F28-H31 PolarHBondContact O-CE1 2.81Å; F28-F35 HydrophobicContact CB-CE1 4.2Å; F28-F35 AromaticContact CD1-CE1 3.8Å; F28-F35 HydrophobicContact CD1-CE1 3.8Å; F28-F35 HydrophobicContact CD1-CZ 4.33Å; F28-F35 HydrophobicContact CD2-CE1 4.24Å; F28-F35 HydrophobicContact CE1-CE1 4.19Å; F28-F35 HydrophobicContact CE1-CZ 4.31Å; F28-F35 AromaticContact CG-CE1 3.82Å; F28-F35 HydrophobicContact CG-CE1 3.82Å; F28-V39 HydrophobicContact CD2-CG2 3.89Å; F28-V39 HydrophobicContact CE2-CG2 3.69Å; F28-V39 HydrophobicContact CZ-CG2 4.41Å
29G97.3Very high97.1Very high28 Ų2865 Ų6529%0.28932%0.318SS..  trans78.8179.8-171.300000113.3V25 I36V25-G29 CarbonylContact O-C 3.56Å; V25-G29 WeakPolarHBondContact O-CA 3.31Å; V25-G29 PolarHBondContact O-N 3.46Å; G29-I36 WeakPolarHBondContact O-CD1 3.43Å
30D96.7Very high96.9Very high81 Ų8160.9 Ų60.943%0.43330%0.297SS..SBendtrans-113.528.9-168.169-26.1000114V25 W33V25-D30 HydrophobicContact CG1-CB 3.74Å; D30-W33 HydrophobicContact CB-CH2 3.83Å; D30-W33 HydrophobicContact CB-CZ2 3.67Å; D30-W33 WeakPolarHBondContact O-CZ2 3.37Å; D30-W33 PolarHBondContact O-NE1 2.99Å
31H96.4Very high96.7Very high122 Ų12260.3 Ų60.357%0.56531%0.311SS*.SBendtrans-108.3-29.6-17360.1-70000114.2F28F28-H31 PolarHBondContact O-CE1 2.81Å
32R96.6Very high96.5Very high121 Ų12161 Ų6146%0.45732%0.315SS..  trans-11072.4-178.4-57.6-174.6-54.5-137.33.4112D34 F35 I36R32-D34 VanDerWaalsContact C-N 3.34Å; R32-D34 PolarHBondContact O-N 2.97Å; R32-F35 HydrophobicContact CB-CB 3.82Å; R32-F35 WeakPolarHBondContact O-CB 3.19Å; R32-F35 PolarHBondContact O-N 2.9Å; R32-F35 VanDerWaalsContact O-N 3.13Å; R32-I36 VanDerWaalsContact O-CG1 3.3Å; R32-I36 WeakPolarHBondContact O-CG1 3.3Å; R32-I36 PolarHBondContact O-N 3.47Å
33W97.8Very high96.2Very high29 Ų2962.8 Ų62.811%0.1132%0.323CS..Hα-helixtrans-61-35.3-171.1-67101.5000115.5L21 V25 D30 I36 A37 G46 C49 R50 W53L21-W33 HydrophobicContact CD1-CZ3 4.44Å; V25-W33 HydrophobicContact CG2-CH2 4.11Å; V25-W33 HydrophobicContact CG2-CZ3 3.85Å; D30-W33 HydrophobicContact CB-CH2 3.83Å; D30-W33 HydrophobicContact CB-CZ2 3.67Å; D30-W33 WeakPolarHBondContact O-CZ2 3.37Å; D30-W33 PolarHBondContact O-NE1 2.99Å; W33-I36 HydrophobicContact CD2-CD1 4.23Å; W33-I36 HydrophobicContact CE3-CD1 3.84Å; W33-I36 HydrophobicContact CE3-CG2 4.44Å; W33-I36 HydrophobicContact CZ3-CD1 4.03Å; W33-I36 PolarHBondContact O-N 2.9Å; W33-A37 WeakPolarHBondContact O-CB 3.09Å; W33-A37 PolarHBondContact O-N 3.06Å; W33-G46 WeakPolarHBondContact CB-O 3.43Å; W33-G46 VanDerWaalsContact O-CA 3.23Å; W33-G46 WeakPolarHBondContact O-CA 3.38Å; W33-C49 HydrophobicContact CE3-CB 4.05Å; W33-C49 HydrophobicContact CZ3-CB 4.49Å; W33-R50 HydrophobicContact CB-CB 4.22Å; W33-R50 HydrophobicContact CD2-CB 3.44Å; W33-R50 VanDerWaalsContact CD2-CB 3.44Å; W33-R50 HydrophobicContact CD2-CG 3.89Å; W33-R50 VanDerWaalsContact CE3-CA 3.49Å; W33-R50 HydrophobicContact CE3-CB 3.95Å; W33-R50 HydrophobicContact CG-CB 3.56Å; W33-R50 HydrophobicContact CG-CG 4.01Å; W33-R50 HydrophobicContact CZ2-CB 4.36Å; W33-R50 HydrophobicContact CZ2-CG 4.12Å; W33-W53 HydrophobicContact CH2-CB 3.44Å; W33-W53 VanDerWaalsContact CH2-CB 3.44Å; W33-W53 AromaticContact CH2-CD1 3.32Å; W33-W53 HydrophobicContact CH2-CD2 4.18Å; W33-W53 AromaticContact CH2-CG 3.37Å; W33-W53 HydrophobicContact CH2-CG 3.37Å; W33-W53 HydrophobicContact CZ2-CB 4.32Å; W33-W53 AromaticContact CZ2-CD1 3.74Å; W33-W53 HydrophobicContact CZ2-CG 4.19Å; W33-W53 HydrophobicContact CZ3-CB 3.84Å; W33-W53 HydrophobicContact CZ3-CG 4.15Å
34D96.4Very high96.1Very high123 Ų12362.6 Ų62.666%0.65832%0.32SS*.Hα-helixtrans-69.2-39.5176.6-60.7-41.3000111.5R32 A37 Q38 G46R32-D34 VanDerWaalsContact C-N 3.34Å; R32-D34 PolarHBondContact O-N 2.97Å; D34-A37 PolarHBondContact O-N 3.12Å; D34-Q38 PolarHBondContact O-N 3.32Å; D34-G46 WeakPolarHBondContact OD1-CA 3.44Å
35F96.8Very high96Very high69 Ų6964.8 Ų64.830%0.30333%0.334SS..Hα-helixtrans-63.2-47.1171.9174.1-98.2000111.3F28 R32 A37 Q38 V39F28-F35 HydrophobicContact CB-CE1 4.2Å; F28-F35 AromaticContact CD1-CE1 3.8Å; F28-F35 HydrophobicContact CD1-CE1 3.8Å; F28-F35 HydrophobicContact CD1-CZ 4.33Å; F28-F35 HydrophobicContact CD2-CE1 4.24Å; F28-F35 HydrophobicContact CE1-CE1 4.19Å; F28-F35 HydrophobicContact CE1-CZ 4.31Å; F28-F35 AromaticContact CG-CE1 3.82Å; F28-F35 HydrophobicContact CG-CE1 3.82Å; R32-F35 HydrophobicContact CB-CB 3.82Å; R32-F35 WeakPolarHBondContact O-CB 3.19Å; R32-F35 PolarHBondContact O-N 2.9Å; R32-F35 VanDerWaalsContact O-N 3.13Å; F35-A37 VanDerWaalsContact C-N 3.32Å; F35-A37 PolarHBondContact O-N 3.47Å; F35-Q38 PolarHBondContact O-N 2.82Å; F35-Q38 VanDerWaalsContact O-N 3.14Å; F35-V39 HydrophobicContact CD1-CG1 4.49Å; F35-V39 HydrophobicContact CD1-CG2 4.22Å; F35-V39 HydrophobicContact CD2-CG1 4Å; F35-V39 HydrophobicContact CE1-CG1 4.07Å; F35-V39 HydrophobicContact CE1-CG2 3.9Å; F35-V39 HydrophobicContact CE2-CG1 3.52Å; F35-V39 HydrophobicContact CG-CG1 4.46Å; F35-V39 HydrophobicContact CZ-CB 4.5Å; F35-V39 HydrophobicContact CZ-CG1 3.57Å; F35-V39 HydrophobicContact CZ-CG2 4.23Å; F35-V39 WeakPolarHBondContact O-CG2 3.44Å; F35-V39 PolarHBondContact O-N 3.21Å
36I97.5Very high95.9Very high2 Ų264.7 Ų64.71%0.0133%0.333CS..Hα-helixtrans-56.2-47.5177.3-68.7162.9000110.4L21 T24 V25 G29 R32 W33 Q38 V39 S40L21-I36 HydrophobicContact CD1-CG2 3.78Å; T24-I36 HydrophobicContact CG2-CB 4.45Å; T24-I36 HydrophobicContact CG2-CG2 3.89Å; V25-I36 HydrophobicContact CG2-CD1 4.29Å; V25-I36 HydrophobicContact CG2-CG2 4.05Å; G29-I36 WeakPolarHBondContact O-CD1 3.43Å; R32-I36 VanDerWaalsContact O-CG1 3.3Å; R32-I36 WeakPolarHBondContact O-CG1 3.3Å; R32-I36 PolarHBondContact O-N 3.47Å; W33-I36 HydrophobicContact CD2-CD1 4.23Å; W33-I36 HydrophobicContact CE3-CD1 3.84Å; W33-I36 HydrophobicContact CE3-CG2 4.44Å; W33-I36 HydrophobicContact CZ3-CD1 4.03Å; W33-I36 PolarHBondContact O-N 2.9Å; I36-Q38 PolarHBondContact O-N 3.45Å; I36-V39 PolarHBondContact O-N 2.92Å; I36-S40 WeakPolarHBondContact O-CB 3.4Å; I36-S40 PolarHBondContact O-N 2.81Å; I36-S40 PolarHBondContact O-OG 2.99Å
37A96Very high95.9Very high8 Ų866.3 Ų66.37%0.06634%0.344CS..Hα-helixtrans-57.4-48.3176.200000111.7W33 D34 F35 S40 R44W33-A37 WeakPolarHBondContact O-CB 3.09Å; W33-A37 PolarHBondContact O-N 3.06Å; D34-A37 PolarHBondContact O-N 3.12Å; F35-A37 VanDerWaalsContact C-N 3.32Å; F35-A37 PolarHBondContact O-N 3.47Å; A37-S40 PolarHBondContact O-OG 3.04Å; A37-R44 WeakPolarHBondContact CB-O 3.32Å
38Q94.6Very high95.9Very high157 Ų15761.4 Ų61.473%0.73432%0.321SS*.Hα-helixtrans-61.4-48.8179.4-175.1-179.1-5.200113D34 F35 I36D34-Q38 PolarHBondContact O-N 3.32Å; F35-Q38 PolarHBondContact O-N 2.82Å; F35-Q38 VanDerWaalsContact O-N 3.14Å; I36-Q38 PolarHBondContact O-N 3.45Å
39V95.9Very high95.9Very high48 Ų4857.4 Ų57.429%0.29130%0.303SS..Hα-helixtrans-81.4-19.5-174.8-57.20000113.6T24 F28 F35 I36 G41T24-V39 HydrophobicContact CG2-CG2 3.63Å; F28-V39 HydrophobicContact CD2-CG2 3.89Å; F28-V39 HydrophobicContact CE2-CG2 3.69Å; F28-V39 HydrophobicContact CZ-CG2 4.41Å; F35-V39 HydrophobicContact CD1-CG1 4.49Å; F35-V39 HydrophobicContact CD1-CG2 4.22Å; F35-V39 HydrophobicContact CD2-CG1 4Å; F35-V39 HydrophobicContact CE1-CG1 4.07Å; F35-V39 HydrophobicContact CE1-CG2 3.9Å; F35-V39 HydrophobicContact CE2-CG1 3.52Å; F35-V39 HydrophobicContact CG-CG1 4.46Å; F35-V39 HydrophobicContact CZ-CB 4.5Å; F35-V39 HydrophobicContact CZ-CG1 3.57Å; F35-V39 HydrophobicContact CZ-CG2 4.23Å; F35-V39 WeakPolarHBondContact O-CG2 3.44Å; F35-V39 PolarHBondContact O-N 3.21Å; I36-V39 PolarHBondContact O-N 2.92Å; V39-G41 PolarHBondContact O-N 2.74Å
40S94.5Very high96Very high5 Ų563.1 Ų63.14%0.03532%0.317CS..THydrogen-bonded Turntrans-68.1-16.2175.564.20000113.3Q20 T24 I36 A37 L42Q20-S40 PolarHBondContact OE1-O 3.19Å; T24-S40 WeakPolarHBondContact OG1-CA 3.42Å; T24-S40 VanDerWaalsContact OG1-CB 3.31Å; T24-S40 WeakPolarHBondContact OG1-CB 3.48Å; I36-S40 WeakPolarHBondContact O-CB 3.4Å; I36-S40 PolarHBondContact O-N 2.81Å; I36-S40 PolarHBondContact O-OG 2.99Å; A37-S40 PolarHBondContact O-OG 3.04Å; S40-L42 PolarHBondContact O-N 2.84Å; S40-L42 VanDerWaalsContact OG-CB 3.24Å; S40-L42 WeakPolarHBondContact OG-CB 3.49Å; S40-L42 WeakPolarHBondContact OG-CD1 3.24Å; S40-L42 WeakPolarHBondContact OG-CG 3.35Å; S40-L42 PolarHBondContact OG-N 2.84Å
41G93.2Very high96Very high63 Ų6364.3 Ų64.365%0.64932%0.322SS*.THydrogen-bonded Turntrans68.45.3-169.800000113.2V39 N43V39-G41 PolarHBondContact O-N 2.74Å; G41-N43 PolarHBondContact O-N 2.83Å
42L93.1Very high96.1Very high14 Ų1460.8 Ų60.87%0.07330%0.304CS..  trans-71.1128.6174.5-65.1170.2000109.1W13 E17 Q20 L21 S40 R44W13-L42 HydrophobicContact CH2-CD1 4.21Å; W13-L42 HydrophobicContact CZ3-CD1 3.97Å; E17-L42 HydrophobicContact CB-CD2 3.76Å; E17-L42 HydrophobicContact CG-CD2 3.85Å; Q20-L42 HydrophobicContact CB-CD2 3.99Å; Q20-L42 HydrophobicContact CB-CG 4.34Å; L21-L42 HydrophobicContact CB-CD1 3.82Å; L21-L42 HydrophobicContact CD1-CD1 4.27Å; S40-L42 PolarHBondContact O-N 2.84Å; S40-L42 VanDerWaalsContact OG-CB 3.24Å; S40-L42 WeakPolarHBondContact OG-CB 3.49Å; S40-L42 WeakPolarHBondContact OG-CD1 3.24Å; S40-L42 WeakPolarHBondContact OG-CG 3.35Å; S40-L42 PolarHBondContact OG-N 2.84Å; L42-R44 HydrophobicContact CB-CB 4.29Å; L42-R44 HydrophobicContact CB-CG 4.27Å; L42-R44 PolarHBondContact O-N 3.32Å
43N93.2Very high96.2Very high52 Ų5255.7 Ų55.728%0.27829%0.285SS..SBendtrans-78.853.2173.1-162.513.3000111.2E7 R9 G41E7-N43 PolarHBondContact O-ND2 3.09Å; R9-N43 HydrophobicContact CB-CB 4.43Å; R9-N43 WeakPolarHBondContact CB-O 3.45Å; R9-N43 PolarHBondContact N-O 2.94Å; G41-N43 PolarHBondContact O-N 2.83Å
44R95.1Very high96.2Very high16 Ų1657.2 Ų57.26%0.0630%0.297CS..SBendtrans-133.3153.2-174.8-61.3-63.6-171.4154.212110.7R9 G11 P12 W13 E17 A37 L42R9-R44 WeakPolarHBondContact O-CD 3.06Å; R9-R44 PolarHBondContact O-NH1 2.68Å; G11-R44 PolarHBondContact O-NH1 2.05Å; G11-R44 PolarHBondContact O-NH2 3Å; P12-R44 PolarHBondContact O-NH2 3.12Å; W13-R44 HydrophobicContact CH2-CB 4.18Å; W13-R44 HydrophobicContact CH2-CG 3.9Å; W13-R44 HydrophobicContact CZ2-CB 4.37Å; W13-R44 HydrophobicContact CZ2-CG 4.1Å; W13-R44 HydrophobicContact CZ3-CG 4.4Å; E17-R44 VanDerWaalsContact CD-NH2 3.35Å; E17-R44 IonicContact OE1-CZ 3.2Å; E17-R44 VanDerWaalsContact OE1-CZ 3.31Å; E17-R44 IonicContact OE1-NE 2.86Å; E17-R44 PolarHBondContact OE1-NE 3.25Å; E17-R44 IonicContact OE1-NH2 3.02Å; E17-R44 PolarHBondContact OE1-NH2 3.28Å; E17-R44 IonicContact OE2-CZ 3.85Å; E17-R44 IonicContact OE2-NE 3.67Å; E17-R44 IonicContact OE2-NH2 2.8Å; E17-R44 PolarHBondContact OE2-NH2 2.93Å; A37-R44 WeakPolarHBondContact CB-O 3.32Å; L42-R44 HydrophobicContact CB-CB 4.29Å; L42-R44 HydrophobicContact CB-CG 4.27Å; L42-R44 PolarHBondContact O-N 3.32Å
45T95.7Very high96.2Very high60 Ų6052.4 Ų52.437%0.36827%0.271SS..  trans-70.9154.3173.246.90000111.6M8 K47 S48 C49M8-T45 HydrophobicContact CE-CG2 3.36Å; M8-T45 HydrophobicContact SD-CG2 3.12Å; M8-T45 WeakPolarHBondContact SD-CG2 3.31Å; M8-T45 PolarHBondContact SD-N 3.35Å; T45-K47 PolarHBondContact O-N 2.77Å; T45-S48 WeakPolarHBondContact O-CA 3.21Å; T45-S48 WeakPolarHBondContact O-CB 3.25Å; T45-S48 PolarHBondContact O-N 2.82Å; T45-S48 VanDerWaalsContact OG1-CB 3.32Å; T45-S48 WeakPolarHBondContact OG1-CB 3.13Å; T45-S48 PolarHBondContact OG1-N 3.3Å; T45-S48 VanDerWaalsContact OG1-N 3.1Å; T45-C49 PolarHBondContact O-N 2.91Å; T45-C49 PolarHBondContact O-SG 3.01Å; T45-C49 VanDerWaalsContact O-SG 3.37Å
46G96.5Very high96.2Very high3 Ų354.7 Ų54.73%0.03128%0.279CS..Hα-helixtrans-54.4-39.6167.600000113W33 D34 S48 C49 R50W33-G46 WeakPolarHBondContact CB-O 3.43Å; W33-G46 VanDerWaalsContact O-CA 3.23Å; W33-G46 WeakPolarHBondContact O-CA 3.38Å; D34-G46 WeakPolarHBondContact OD1-CA 3.44Å; G46-S48 VanDerWaalsContact C-N 3.34Å; G46-S48 PolarHBondContact O-N 3.34Å; G46-C49 PolarHBondContact O-N 3.15Å; G46-R50 WeakPolarHBondContact O-CB 3.42Å; G46-R50 PolarHBondContact O-N 2.92Å
47K96.4Very high96.2Very high175 Ų17555.8 Ų55.876%0.76129%0.285SS*.Hα-helixtrans-58.1-43.5172.5-175.5177.6179.9179.10112.7T45 L51T45-K47 PolarHBondContact O-N 2.77Å; K47-L51 WeakPolarHBondContact O-CB 3.42Å; K47-L51 PolarHBondContact O-N 3.28Å
48S96.8Very high96.3Very high29 Ų2958.8 Ų58.820%0.20330%0.297CS..Hα-helixtrans-64.6-46.6177.2-169.30000110.9W13 T45 G46 R50 L51 R52W13-S48 WeakPolarHBondContact CZ2-OG 3.14Å; T45-S48 WeakPolarHBondContact O-CA 3.21Å; T45-S48 WeakPolarHBondContact O-CB 3.25Å; T45-S48 PolarHBondContact O-N 2.82Å; T45-S48 VanDerWaalsContact OG1-CB 3.32Å; T45-S48 WeakPolarHBondContact OG1-CB 3.13Å; T45-S48 PolarHBondContact OG1-N 3.3Å; T45-S48 VanDerWaalsContact OG1-N 3.1Å; G46-S48 VanDerWaalsContact C-N 3.34Å; G46-S48 PolarHBondContact O-N 3.34Å; S48-R50 PolarHBondContact O-N 3.31Å; S48-L51 PolarHBondContact O-N 3.41Å; S48-R52 WeakPolarHBondContact O-CB 3.35Å; S48-R52 PolarHBondContact O-N 3.06Å
49C97.8Very high96.4Very high0 Ų055.7 Ų55.70%029%0.29CS..Hα-helixtrans-57.7-49.3177.3-63.90000111.3L21 W33 T45 G46 L51 R52 W53L21-C49 HydrophobicContact CD1-CB 3.8Å; L21-C49 HydrophobicContact CD2-CB 4.29Å; W33-C49 HydrophobicContact CE3-CB 4.05Å; W33-C49 HydrophobicContact CZ3-CB 4.49Å; T45-C49 PolarHBondContact O-N 2.91Å; T45-C49 PolarHBondContact O-SG 3.01Å; T45-C49 VanDerWaalsContact O-SG 3.37Å; G46-C49 PolarHBondContact O-N 3.15Å; C49-L51 PolarHBondContact O-N 3.37Å; C49-R52 PolarHBondContact O-N 3.23Å; C49-W53 WeakPolarHBondContact O-CB 3.44Å; C49-W53 PolarHBondContact O-N 2.87Å
50R98.2Very high96.4Very high149 Ų14955.5 Ų55.556%0.56230%0.298SS*.Hα-helixtrans-55.2-51.2175.4-176.1175.8179.3-161.8-0.8111.5W33 G46 S48 R52 W53 V54W33-R50 HydrophobicContact CB-CB 4.22Å; W33-R50 HydrophobicContact CD2-CB 3.44Å; W33-R50 VanDerWaalsContact CD2-CB 3.44Å; W33-R50 HydrophobicContact CD2-CG 3.89Å; W33-R50 VanDerWaalsContact CE3-CA 3.49Å; W33-R50 HydrophobicContact CE3-CB 3.95Å; W33-R50 HydrophobicContact CG-CB 3.56Å; W33-R50 HydrophobicContact CG-CG 4.01Å; W33-R50 HydrophobicContact CZ2-CB 4.36Å; W33-R50 HydrophobicContact CZ2-CG 4.12Å; G46-R50 WeakPolarHBondContact O-CB 3.42Å; G46-R50 PolarHBondContact O-N 2.92Å; S48-R50 PolarHBondContact O-N 3.31Å; R50-R52 VanDerWaalsContact C-N 3.3Å; R50-R52 PolarHBondContact O-N 3.14Å; R50-W53 PolarHBondContact O-N 3.05Å; R50-V54 HydrophobicContact CG-CG1 4.31Å; R50-V54 WeakPolarHBondContact O-CG1 3.36Å; R50-V54 WeakPolarHBondContact O-CG2 3.12Å; R50-V54 PolarHBondContact O-N 2.87Å
51L97.6Very high96.5Very high105 Ų10556.4 Ų56.455%0.5530%0.303SS..Hα-helixtrans-61.7-41.5-176.5-174.572000111.3K47 S48 C49 N55K47-L51 WeakPolarHBondContact O-CB 3.42Å; K47-L51 PolarHBondContact O-N 3.28Å; S48-L51 PolarHBondContact O-N 3.41Å; C49-L51 PolarHBondContact O-N 3.37Å; L51-N55 WeakPolarHBondContact CD1-ND2 3.45Å; L51-N55 WeakPolarHBondContact O-CB 3.47Å; L51-N55 PolarHBondContact O-N 3.13Å; L51-N55 PolarHBondContact O-ND2 3.37Å
52R98.2Very high96.7Very high48 Ų4858 Ų5818%0.18129%0.291CS..Hα-helixtrans-63.6-47.7177.2-176.260.5173.4172.7-3.4111.2W13 D18 L21 S48 C49 R50 Y56 L57W13-R52 HydrophobicContact CD2-CB 4.06Å; W13-R52 HydrophobicContact CD2-CG 3.57Å; W13-R52 HydrophobicContact CE3-CG 3.9Å; W13-R52 HydrophobicContact CG-CG 3.91Å; W13-R52 HydrophobicContact CH2-CB 4.21Å; W13-R52 HydrophobicContact CH2-CG 4.39Å; W13-R52 HydrophobicContact CZ2-CB 3.64Å; W13-R52 HydrophobicContact CZ2-CG 4.07Å; W13-R52 HydrophobicContact CZ3-CG 4.3Å; D18-R52 IonicContact OD1-CZ 2.81Å; D18-R52 IonicContact OD1-NE 2.74Å; D18-R52 PolarHBondContact OD1-NE 2.93Å; D18-R52 IonicContact OD1-NH2 3.31Å; D18-R52 PolarHBondContact OD1-NH2 3.4Å; D18-R52 IonicContact OD2-CZ 3.79Å; D18-R52 IonicContact OD2-NE 3.04Å; D18-R52 IonicContact OD2-NH2 3.9Å; D18-R52 PolarHBondContact OD2-NH2 2.7Å; L21-R52 HydrophobicContact CD2-CB 4.05Å; L21-R52 HydrophobicContact CD2-CG 4.09Å; S48-R52 WeakPolarHBondContact O-CB 3.35Å; S48-R52 PolarHBondContact O-N 3.06Å; C49-R52 PolarHBondContact O-N 3.23Å; R50-R52 VanDerWaalsContact C-N 3.3Å; R50-R52 PolarHBondContact O-N 3.14Å; R52-Y56 WeakPolarHBondContact O-CB 3.39Å; R52-Y56 PolarHBondContact O-N 3.46Å; R52-L57 HydrophobicContact CG-CD1 3.74Å; R52-L57 HydrophobicContact CG-CG 4.09Å; R52-L57 PolarHBondContact O-N 3.28Å
53W98.4Very high96.6Very high15 Ų1564 Ų646%0.05732%0.319CS..Iπ-helixtrans-58.3-57.9178.9179.9-103.8000112.3V22 V25 W33 C49 R50 N55 L57 H58V22-W53 HydrophobicContact CB-CZ3 4.31Å; V22-W53 HydrophobicContact CG1-CZ3 4.48Å; V22-W53 HydrophobicContact CG2-CZ3 3.93Å; V25-W53 HydrophobicContact CB-CD2 4.48Å; V25-W53 HydrophobicContact CB-CE3 4.17Å; V25-W53 HydrophobicContact CB-CH2 4.02Å; V25-W53 HydrophobicContact CB-CZ2 4.32Å; V25-W53 HydrophobicContact CB-CZ3 3.94Å; V25-W53 HydrophobicContact CG1-CD2 4.05Å; V25-W53 HydrophobicContact CG1-CE3 4.15Å; V25-W53 HydrophobicContact CG1-CH2 3.57Å; V25-W53 HydrophobicContact CG1-CZ2 3.41Å; V25-W53 VanDerWaalsContact CG1-CZ2 3.41Å; V25-W53 HydrophobicContact CG1-CZ3 3.94Å; V25-W53 HydrophobicContact CG2-CD2 4.25Å; V25-W53 HydrophobicContact CG2-CE3 4.05Å; V25-W53 HydrophobicContact CG2-CZ3 4.31Å; W33-W53 HydrophobicContact CH2-CB 3.44Å; W33-W53 VanDerWaalsContact CH2-CB 3.44Å; W33-W53 AromaticContact CH2-CD1 3.32Å; W33-W53 HydrophobicContact CH2-CD2 4.18Å; W33-W53 AromaticContact CH2-CG 3.37Å; W33-W53 HydrophobicContact CH2-CG 3.37Å; W33-W53 HydrophobicContact CZ2-CB 4.32Å; W33-W53 AromaticContact CZ2-CD1 3.74Å; W33-W53 HydrophobicContact CZ2-CG 4.19Å; W33-W53 HydrophobicContact CZ3-CB 3.84Å; W33-W53 HydrophobicContact CZ3-CG 4.15Å; C49-W53 WeakPolarHBondContact O-CB 3.44Å; C49-W53 PolarHBondContact O-N 2.87Å; R50-W53 PolarHBondContact O-N 3.05Å; W53-N55 VanDerWaalsContact C-N 3.26Å; W53-N55 PolarHBondContact O-N 3.44Å; W53-L57 HydrophobicContact CE3-CB 3.86Å; W53-L57 HydrophobicContact CZ3-CB 4.3Å; W53-L57 PolarHBondContact O-N 3.11Å; W53-L57 VanDerWaalsContact O-N 3.15Å; W53-H58 AromaticContact CE2-CD2 3.91Å; W53-H58 AromaticContact NE1-CD2 3.52Å; W53-H58 WeakPolarHBondContact O-CB 3.32Å; W53-H58 PolarHBondContact O-N 3.42Å
54V97.4Very high96.6Very high61 Ų6164.4 Ų64.437%0.3734%0.336SS..Iπ-helixtrans-69.7-21-171.6-56.70000113.9R50R50-V54 HydrophobicContact CG-CG1 4.31Å; R50-V54 WeakPolarHBondContact O-CG1 3.36Å; R50-V54 WeakPolarHBondContact O-CG2 3.12Å; R50-V54 PolarHBondContact O-N 2.87Å
55N97.4Very high96.6Very high21 Ų2175.2 Ų75.211%0.11238%0.376CS..Iπ-helixtrans-102.5-23.2-178.8-70.7-74.8000114.8L51 W53 N98L51-N55 WeakPolarHBondContact CD1-ND2 3.45Å; L51-N55 WeakPolarHBondContact O-CB 3.47Å; L51-N55 PolarHBondContact O-N 3.13Å; L51-N55 PolarHBondContact O-ND2 3.37Å; W53-N55 VanDerWaalsContact C-N 3.26Å; W53-N55 PolarHBondContact O-N 3.44Å; N55-N98 WeakPolarHBondContact OD1-CB 3.31Å
56Y97.4Very high96.5Very high117 Ų11773.3 Ų73.346%0.45936%0.364SS..Iπ-helixtrans-135.3-36.1-170.6-61.1-81.4000114.7R52R52-Y56 WeakPolarHBondContact O-CB 3.39Å; R52-Y56 PolarHBondContact O-N 3.46Å
57L97.7Very high96.5Very high26 Ų2674.8 Ų74.814%0.13637%0.374CS..Iπ-helixtrans-103.8-19.6-169.4-54.9178.6000114.4D18 L21 V22 R52 W53D18-L57 HydrophobicContact CB-CD1 3.94Å; D18-L57 HydrophobicContact CB-CD2 3.8Å; L21-L57 HydrophobicContact CB-CD1 4.33Å; L21-L57 HydrophobicContact CD2-CD1 3.8Å; L21-L57 HydrophobicContact CG-CD1 4.26Å; V22-L57 HydrophobicContact CG2-CB 4.13Å; V22-L57 HydrophobicContact CG2-CD1 4.09Å; R52-L57 HydrophobicContact CG-CD1 3.74Å; R52-L57 HydrophobicContact CG-CG 4.09Å; R52-L57 PolarHBondContact O-N 3.28Å; W53-L57 HydrophobicContact CE3-CB 3.86Å; W53-L57 HydrophobicContact CZ3-CB 4.3Å; W53-L57 PolarHBondContact O-N 3.11Å; W53-L57 VanDerWaalsContact O-N 3.15Å
58H97.2Very high96.4Very high70 Ų7069.9 Ų69.932%0.32436%0.36SS..  trans-60.6130.6-176.8179.5-84.5000110.6W53 G60 L61W53-H58 AromaticContact CE2-CD2 3.91Å; W53-H58 AromaticContact NE1-CD2 3.52Å; W53-H58 WeakPolarHBondContact O-CB 3.32Å; W53-H58 PolarHBondContact O-N 3.42Å; H58-G60 PolarHBondContact CE1-N 2.89Å; H58-G60 PolarHBondContact ND1-N 3.4Å; H58-G60 PolarHBondContact O-N 2.84Å; H58-G60 VanDerWaalsContact O-N 3.12Å; H58-L61 HydrophobicContact CB-CD1 4.01Å; H58-L61 HydrophobicContact CB-CG 4.03Å; H58-L61 VanDerWaalsContact O-CB 3.32Å; H58-L61 WeakPolarHBondContact O-CB 3.47Å; H58-L61 VanDerWaalsContact O-CG 3.25Å; H58-L61 WeakPolarHBondContact O-CG 3.49Å; H58-L61 PolarHBondContact O-N 2.94Å
59P96.5Very high96.4Very high92 Ų9274 Ų7460%0.59738%0.375SS*.THydrogen-bonded Turntrans-64.6-22.9-171.224-34.9000114L61P59-L61 PolarHBondContact O-N 3.42Å
60G96.1Very high96.4Very high44 Ų4474.5 Ų74.545%0.45438%0.378SS..THydrogen-bonded Turntrans-761.6175.500000115.2H58 G94H58-G60 PolarHBondContact CE1-N 2.89Å; H58-G60 PolarHBondContact ND1-N 3.4Å; H58-G60 PolarHBondContact O-N 2.84Å; H58-G60 VanDerWaalsContact O-N 3.12Å; G60-G94 WeakPolarHBondContact O-CA 3.36Å
61L97Very high96.2Very high25 Ų2570.1 Ų70.113%0.13136%0.364CS..PPolyproline II helixtrans-84135.5-178.9-64.1177000112.1H58 P59 H63 T96H58-L61 HydrophobicContact CB-CD1 4.01Å; H58-L61 HydrophobicContact CB-CG 4.03Å; H58-L61 VanDerWaalsContact O-CB 3.32Å; H58-L61 WeakPolarHBondContact O-CB 3.47Å; H58-L61 VanDerWaalsContact O-CG 3.25Å; H58-L61 WeakPolarHBondContact O-CG 3.49Å; H58-L61 PolarHBondContact O-N 2.94Å; P59-L61 PolarHBondContact O-N 3.42Å; L61-H63 PolarHBondContact O-ND1 3.13Å; L61-T96 HydrophobicContact CD2-CG2 3.43Å; L61-T96 VanDerWaalsContact CD2-CG2 3.43Å
62K96.6Very high96.1Very high95 Ų9573.4 Ų73.441%0.41337%0.369SS..PPolyproline II helixtrans-86.3125.7173.1-69177.769.2-173.80109.7E70 P93 G94 R95K62-E70 IonicContact NZ-OE1 3.56Å; K62-E70 PolarHBondContact NZ-OE1 3.13Å; K62-P93 WeakPolarHBondContact CD-O 3.48Å; K62-G94 PolarHBondContact N-O 3.29Å; K62-R95 PolarHBondContact O-NH1 3.22Å
63H92.4Very high96.1Very high141 Ų14174 Ų7465%0.65338%0.375SS*.PPolyproline II helixtrans-95.9146176.7-62.783.7000110.8L61L61-H63 PolarHBondContact O-ND1 3.13Å
64G92.6Very high96Very high61 Ų6173.2 Ų73.263%0.62937%0.372SS*.SBendtrans105.9-171.6175.700000114.6R95G64-R95 PolarHBondContact O-NH1 3Å
65R93.9Very high95.8Very high242 Ų24273.6 Ų73.691%0.91337%0.371SS*.SBendtrans-63.5153-175.3-55-167-148.1-144.16.7111.5R95R65-R95 PolarHBondContact O-NH2 3.06Å
66M94.4Very high95.7Very high21 Ų2177.6 Ų77.610%0.10339%0.389CS..PPolyproline II helixtrans-64.4134.2172-146.571.682.500109E70 E71 I74 R95 E99 I100 Y103M66-E70 WeakPolarHBondContact CA-OE2 3.48Å; M66-E70 HydrophobicContact CG-CB 3.7Å; M66-E70 HydrophobicContact SD-CB 4.12Å; M66-E71 HydrophobicContact CB-CG 3.91Å; M66-E71 HydrophobicContact CG-CG 4Å; M66-I74 HydrophobicContact CE-CD1 3.5Å; M66-I74 VanDerWaalsContact CE-CD1 3.5Å; M66-I74 HydrophobicContact CG-CD1 3.72Å; M66-I74 HydrophobicContact SD-CD1 3.75Å; M66-R95 HydrophobicContact SD-CG 4.15Å; M66-E99 HydrophobicContact CE-CB 4.49Å; M66-I100 HydrophobicContact CE-CG1 4.34Å; M66-Y103 HydrophobicContact CB-CD2 3.88Å; M66-Y103 HydrophobicContact CB-CE2 4.13Å; M66-Y103 VanDerWaalsContact CE-CB 3.46Å; M66-Y103 HydrophobicContact CE-CD1 4.45Å; M66-Y103 HydrophobicContact CE-CD2 4.36Å; M66-Y103 HydrophobicContact CE-CG 3.84Å; M66-Y103 HydrophobicContact CG-CD2 4.29Å; M66-Y103 HydrophobicContact CG-CG 4.46Å
67S95.9Very high95.7Very high34 Ų3472.5 Ų72.524%0.23837%0.37CS..PPolyproline II helixtrans-77.7153.6178.494.60000110.7Q69 E70 E71S67-Q69 PolarHBondContact O-N 3.2Å; S67-Q69 PolarHBondContact OG-N 2.77Å; S67-Q69 PolarHBondContact OG-OE1 2.76Å; S67-E70 PolarHBondContact N-OE2 3.23Å; S67-E70 WeakPolarHBondContact O-CA 3.22Å; S67-E70 WeakPolarHBondContact O-CB 3.23Å; S67-E70 PolarHBondContact O-N 2.86Å; S67-E70 WeakPolarHBondContact OG-CG 3.47Å; S67-E70 PolarHBondContact OG-N 2.76Å; S67-E71 VanDerWaalsContact O-CG 3.32Å; S67-E71 WeakPolarHBondContact O-CG 3.46Å; S67-E71 PolarHBondContact O-N 3.42Å
68P94.9Very high95.6Very high72 Ų7272 Ų7247%0.46837%0.367SS..Hα-helixtrans-55.1-30.9178.6-27.635.4000114.1R72P68-R72 VanDerWaalsContact O-CG 3.25Å; P68-R72 WeakPolarHBondContact O-CG 3.32Å; P68-R72 PolarHBondContact O-N 2.8Å
69Q96.7Very high95.4Very high114 Ų11472.9 Ų72.953%0.53339%0.386SS..Hα-helixtrans-70.1-46.7174.2-59.179.73.300111.3S67 E71 R72 I73S67-Q69 PolarHBondContact O-N 3.2Å; S67-Q69 PolarHBondContact OG-N 2.77Å; S67-Q69 PolarHBondContact OG-OE1 2.76Å; Q69-E71 VanDerWaalsContact C-N 3.31Å; Q69-E71 PolarHBondContact O-N 3.24Å; Q69-R72 PolarHBondContact O-N 3.02Å; Q69-I73 WeakPolarHBondContact O-CG1 3.43Å; Q69-I73 PolarHBondContact O-N 2.9Å; Q69-I73 VanDerWaalsContact O-N 3.12Å
70E97.3Very high95.4Very high11 Ų1175.7 Ų75.75%0.05139%0.385CS..Hα-helixtrans-59.4-43.6175.2-66.5174.7146.900110.8K62 M66 S67 R72 I73 I74 L92 R95K62-E70 IonicContact NZ-OE1 3.56Å; K62-E70 PolarHBondContact NZ-OE1 3.13Å; M66-E70 WeakPolarHBondContact CA-OE2 3.48Å; M66-E70 HydrophobicContact CG-CB 3.7Å; M66-E70 HydrophobicContact SD-CB 4.12Å; S67-E70 PolarHBondContact N-OE2 3.23Å; S67-E70 WeakPolarHBondContact O-CA 3.22Å; S67-E70 WeakPolarHBondContact O-CB 3.23Å; S67-E70 PolarHBondContact O-N 2.86Å; S67-E70 WeakPolarHBondContact OG-CG 3.47Å; S67-E70 PolarHBondContact OG-N 2.76Å; E70-R72 PolarHBondContact O-N 3.3Å; E70-I73 PolarHBondContact O-N 2.9Å; E70-I74 VanDerWaalsContact O-CG1 3.24Å; E70-I74 WeakPolarHBondContact O-CG1 3.32Å; E70-I74 PolarHBondContact O-N 2.9Å; E70-L92 HydrophobicContact CB-CD2 3.93Å; E70-L92 HydrophobicContact CG-CD2 3.97Å; E70-R95 IonicContact OE1-CZ 2.68Å; E70-R95 IonicContact OE1-NE 3.44Å; E70-R95 PolarHBondContact OE1-NE 3.25Å; E70-R95 IonicContact OE1-NH2 2.77Å; E70-R95 IonicContact OE2-CZ 3.49Å; E70-R95 IonicContact OE2-NE 2.7Å; E70-R95 PolarHBondContact OE2-NE 2.98Å; E70-R95 IonicContact OE2-NH2 3.63Å; E70-R95 PolarHBondContact OE2-NH2 2.9Å
71E95.3Very high95.4Very high57 Ų5775.9 Ų75.927%0.26637%0.372SS..Hα-helixtrans-58.9-45.4177.5-66.3-178.6172.800112.6M66 S67 Q69 I73 I74 I75 Y103M66-E71 HydrophobicContact CB-CG 3.91Å; M66-E71 HydrophobicContact CG-CG 4Å; S67-E71 VanDerWaalsContact O-CG 3.32Å; S67-E71 WeakPolarHBondContact O-CG 3.46Å; S67-E71 PolarHBondContact O-N 3.42Å; Q69-E71 VanDerWaalsContact C-N 3.31Å; Q69-E71 PolarHBondContact O-N 3.24Å; E71-I73 PolarHBondContact O-N 3.02Å; E71-I74 PolarHBondContact O-N 3.48Å; E71-I75 VanDerWaalsContact O-CG1 3.31Å; E71-I75 WeakPolarHBondContact O-CG1 3.46Å; E71-I75 PolarHBondContact O-N 2.87Å; E71-Y103 WeakPolarHBondContact CB-OH 3.43Å; E71-Y103 HydrophobicContact CG-CE1 4.39Å; E71-Y103 HydrophobicContact CG-CE2 3.71Å; E71-Y103 VanDerWaalsContact CG-OH 3.22Å; E71-Y103 WeakPolarHBondContact CG-OH 3.25Å
72R95.7Very high95.2Very high175 Ų17576 Ų7666%0.6638%0.379SS*.Hα-helixtrans-59.9-46175.8-72169.4-164.8171.93.3111.5P68 Q69 E70 I74 I75 E76P68-R72 VanDerWaalsContact O-CG 3.25Å; P68-R72 WeakPolarHBondContact O-CG 3.32Å; P68-R72 PolarHBondContact O-N 2.8Å; Q69-R72 PolarHBondContact O-N 3.02Å; E70-R72 PolarHBondContact O-N 3.3Å; R72-I74 VanDerWaalsContact C-N 3.33Å; R72-I74 PolarHBondContact O-N 3.4Å; R72-I75 PolarHBondContact O-N 2.97Å; R72-E76 WeakPolarHBondContact O-CB 3.39Å; R72-E76 PolarHBondContact O-N 3.28Å
73I96.9Very high95.2Very high59 Ų5975 Ų7530%0.30338%0.378SS..Hα-helixtrans-61.8-42.8177.9-66.8165.6000110.5Q69 E70 E71 I75 E76 L77 R91 L92Q69-I73 WeakPolarHBondContact O-CG1 3.43Å; Q69-I73 PolarHBondContact O-N 2.9Å; Q69-I73 VanDerWaalsContact O-N 3.12Å; E70-I73 PolarHBondContact O-N 2.9Å; E71-I73 PolarHBondContact O-N 3.02Å; I73-I75 PolarHBondContact O-N 3.27Å; I73-E76 PolarHBondContact O-N 2.96Å; I73-L77 HydrophobicContact CG2-CD1 3.53Å; I73-L77 HydrophobicContact CG2-CG 4.09Å; I73-L77 VanDerWaalsContact O-CB 3.3Å; I73-L77 WeakPolarHBondContact O-CB 3.39Å; I73-L77 VanDerWaalsContact O-CG 3.23Å; I73-L77 WeakPolarHBondContact O-CG 3.45Å; I73-L77 PolarHBondContact O-N 3.26Å; I73-R91 HydrophobicContact CG2-CB 4.44Å; I73-L92 HydrophobicContact CB-CD2 4Å; I73-L92 HydrophobicContact CD1-CD2 4.05Å; I73-L92 HydrophobicContact CG2-CD1 4.46Å; I73-L92 HydrophobicContact CG2-CD2 3.81Å; I73-L92 HydrophobicContact CG2-CG 4.08Å
74I95.9Very high95.4Very high0 Ų075.8 Ų75.80%038%0.375CS..Hα-helixtrans-59.9-47.8177.4-68.7166.2000110.6M66 E70 E71 R72 H78 L92 I100 Y103 W104M66-I74 HydrophobicContact CE-CD1 3.5Å; M66-I74 VanDerWaalsContact CE-CD1 3.5Å; M66-I74 HydrophobicContact CG-CD1 3.72Å; M66-I74 HydrophobicContact SD-CD1 3.75Å; E70-I74 VanDerWaalsContact O-CG1 3.24Å; E70-I74 WeakPolarHBondContact O-CG1 3.32Å; E70-I74 PolarHBondContact O-N 2.9Å; E71-I74 PolarHBondContact O-N 3.48Å; R72-I74 VanDerWaalsContact C-N 3.33Å; R72-I74 PolarHBondContact O-N 3.4Å; I74-H78 WeakPolarHBondContact O-CB 3.41Å; I74-H78 PolarHBondContact O-N 3.1Å; I74-L92 HydrophobicContact CD1-CD1 4.07Å; I74-L92 HydrophobicContact CG1-CD1 3.45Å; I74-L92 VanDerWaalsContact CG1-CD1 3.45Å; I74-I100 HydrophobicContact CD1-CG1 4.18Å; I74-I100 HydrophobicContact CD1-CG2 4.16Å; I74-I100 HydrophobicContact CG1-CG1 4.41Å; I74-I100 HydrophobicContact CG1-CG2 4.01Å; I74-I100 HydrophobicContact CG2-CG2 3.92Å; I74-Y103 HydrophobicContact CB-CE1 4.5Å; I74-Y103 HydrophobicContact CD1-CD1 3.83Å; I74-Y103 HydrophobicContact CD1-CE1 4.22Å; I74-Y103 HydrophobicContact CD1-CG 4.41Å; I74-Y103 HydrophobicContact CG2-CD1 4.06Å; I74-Y103 HydrophobicContact CG2-CE1 4.16Å; I74-W104 HydrophobicContact CG2-CE3 4.14Å
75I93.7Very high95.7Very high69 Ų6974.7 Ų74.735%0.35435%0.352SS..Hα-helixtrans-63.3-47.6-179.4-66.5165.1000110.7E71 R72 I73 H78 A79E71-I75 VanDerWaalsContact O-CG1 3.31Å; E71-I75 WeakPolarHBondContact O-CG1 3.46Å; E71-I75 PolarHBondContact O-N 2.87Å; R72-I75 PolarHBondContact O-N 2.97Å; I73-I75 PolarHBondContact O-N 3.27Å; I75-H78 PolarHBondContact O-N 3.4Å; I75-A79 WeakPolarHBondContact O-CB 3.25Å; I75-A79 PolarHBondContact O-N 3.32Å
76E96.4Very high95.8Very high104 Ų10466.4 Ų66.449%0.48633%0.331SS..Hα-helixtrans-61.9-48.1179.8-171.1-162.8149.900111.9R72 I73 A79 R80R72-E76 WeakPolarHBondContact O-CB 3.39Å; R72-E76 PolarHBondContact O-N 3.28Å; I73-E76 PolarHBondContact O-N 2.96Å; E76-A79 PolarHBondContact O-N 3.16Å; E76-R80 PolarHBondContact O-N 3.38Å; E76-R80 VanDerWaalsContact O-N 3.14Å; E76-R80 IonicContact OE1-CZ 3.57Å; E76-R80 IonicContact OE1-NH1 3.63Å; E76-R80 IonicContact OE1-NH2 2.77Å; E76-R80 PolarHBondContact OE1-NH2 2.88Å
77L96.8Very high96Very high11 Ų1170.4 Ų70.46%0.05835%0.345CS..Hα-helixtrans-72.5-32.7-177.5-65.8-180000112.4I73 R80 W81 I88 R91I73-L77 HydrophobicContact CG2-CD1 3.53Å; I73-L77 HydrophobicContact CG2-CG 4.09Å; I73-L77 VanDerWaalsContact O-CB 3.3Å; I73-L77 WeakPolarHBondContact O-CB 3.39Å; I73-L77 VanDerWaalsContact O-CG 3.23Å; I73-L77 WeakPolarHBondContact O-CG 3.45Å; I73-L77 PolarHBondContact O-N 3.26Å; L77-R80 PolarHBondContact O-N 3.1Å; L77-W81 HydrophobicContact CB-CE3 4.15Å; L77-W81 HydrophobicContact CB-CZ3 4.28Å; L77-W81 HydrophobicContact CD1-CZ3 4.04Å; L77-W81 HydrophobicContact CD2-CE3 4.24Å; L77-W81 HydrophobicContact CD2-CH2 3.82Å; L77-W81 HydrophobicContact CD2-CZ2 4.29Å; L77-W81 HydrophobicContact CD2-CZ3 3.79Å; L77-W81 HydrophobicContact CG-CZ3 4.27Å; L77-W81 WeakPolarHBondContact O-CB 3.23Å; L77-W81 PolarHBondContact O-N 3.41Å; L77-I88 HydrophobicContact CB-CD1 4.46Å; L77-I88 HydrophobicContact CB-CG1 4.03Å; L77-I88 HydrophobicContact CB-CG2 4.14Å; L77-I88 HydrophobicContact CD1-CG2 4.08Å; L77-R91 HydrophobicContact CD1-CB 3.54Å; L77-R91 HydrophobicContact CD1-CG 3.6Å
78H95.2Very high96.1Very high16 Ų1668.8 Ų68.87%0.07433%0.334CS..Hα-helixtrans-64.6-45.7171.9-178.2-78.7000110.9I74 I75 R80 W81 G82 N83 W85 I88 W104 W175I74-H78 WeakPolarHBondContact O-CB 3.41Å; I74-H78 PolarHBondContact O-N 3.1Å; I75-H78 PolarHBondContact O-N 3.4Å; H78-R80 PolarHBondContact O-N 2.79Å; H78-W81 PolarHBondContact O-N 3.03Å; H78-G82 PolarHBondContact CD2-O 2.94Å; H78-G82 VanDerWaalsContact O-CA 3.22Å; H78-G82 WeakPolarHBondContact O-CA 3.35Å; H78-G82 PolarHBondContact O-N 2.99Å; H78-N83 PolarHBondContact NE2-OD1 3.08Å; H78-W85 AromaticContact CD2-CH2 3.46Å; H78-W85 VanDerWaalsContact CD2-CH2 3.46Å; H78-W85 WeakPolarHBondContact CD2-CH2 3.33Å; H78-W85 AromaticContact CD2-CZ3 3.69Å; H78-W85 AromaticContact NE2-CH2 3.89Å; H78-I88 HydrophobicContact CB-CD1 4.19Å; H78-W104 HydrophobicContact CB-CE3 4.21Å; H78-W104 HydrophobicContact CB-CH2 4.04Å; H78-W104 HydrophobicContact CB-CZ3 3.68Å; H78-W104 AromaticContact CE1-CE2 3.95Å; H78-W104 AromaticContact CE1-CH2 3.66Å; H78-W104 AromaticContact CE1-CZ2 3.4Å; H78-W104 WeakPolarHBondContact CE1-CZ2 3.23Å; H78-W104 AromaticContact CG-CE3 3.95Å; H78-W104 AromaticContact CG-CH2 3.46Å; H78-W104 VanDerWaalsContact CG-CH2 3.46Å; H78-W104 AromaticContact CG-CZ2 3.87Å; H78-W104 AromaticContact CG-CZ3 3.51Å; H78-W104 AromaticContact ND1-CH2 3.14Å; H78-W104 WeakPolarHBondContact ND1-CH2 3.32Å; H78-W104 AromaticContact ND1-CZ2 3.43Å; H78-W104 WeakPolarHBondContact ND1-CZ2 3.4Å; H78-W104 AromaticContact ND1-CZ3 3.72Å; H78-W104 AromaticContact NE2-CE2 3.86Å; H78-W104 AromaticContact NE2-CZ2 3.79Å; H78-W175 AromaticContact CE1-CH2 3.94Å; H78-W175 AromaticContact CE1-CZ3 3.3Å; H78-W175 WeakPolarHBondContact CE1-CZ3 2.88Å; H78-W175 AromaticContact NE2-CH2 3.42Å; H78-W175 WeakPolarHBondContact NE2-CH2 3.3Å; H78-W175 AromaticContact NE2-CZ3 3.28Å; H78-W175 VanDerWaalsContact NE2-CZ3 3.28Å; H78-W175 WeakPolarHBondContact NE2-CZ3 3.42Å
79A93.6Very high96.3Very high88 Ų8866.2 Ų66.273%0.72732%0.319SS*.Hα-helixtrans-57.9-33.1174.800000112.6I75 E76I75-A79 WeakPolarHBondContact O-CB 3.25Å; I75-A79 PolarHBondContact O-N 3.32Å; E76-A79 PolarHBondContact O-N 3.16Å
80R96.2Very high96.3Very high151 Ų15169.3 Ų69.357%0.5733%0.326SS*.Hα-helixtrans-82.4-35.8179.3-166.7177.4-67.5147.79.7114.2E76 L77 H78E76-R80 PolarHBondContact O-N 3.38Å; E76-R80 VanDerWaalsContact O-N 3.14Å; E76-R80 IonicContact OE1-CZ 3.57Å; E76-R80 IonicContact OE1-NH1 3.63Å; E76-R80 IonicContact OE1-NH2 2.77Å; E76-R80 PolarHBondContact OE1-NH2 2.88Å; L77-R80 PolarHBondContact O-N 3.1Å; H78-R80 PolarHBondContact O-N 2.79Å
81W95.5Very high96.3Very high47 Ų4776.7 Ų76.718%0.17835%0.353CS..Hα-helixtrans-122.7-6.3-167.8-63.4-24.8000114.9L77 H78 R84 R87 I88 R91L77-W81 HydrophobicContact CB-CE3 4.15Å; L77-W81 HydrophobicContact CB-CZ3 4.28Å; L77-W81 HydrophobicContact CD1-CZ3 4.04Å; L77-W81 HydrophobicContact CD2-CE3 4.24Å; L77-W81 HydrophobicContact CD2-CH2 3.82Å; L77-W81 HydrophobicContact CD2-CZ2 4.29Å; L77-W81 HydrophobicContact CD2-CZ3 3.79Å; L77-W81 HydrophobicContact CG-CZ3 4.27Å; L77-W81 WeakPolarHBondContact O-CB 3.23Å; L77-W81 PolarHBondContact O-N 3.41Å; H78-W81 PolarHBondContact O-N 3.03Å; W81-R84 HydrophobicContact CB-CB 4.36Å; W81-R84 WeakPolarHBondContact O-CD 3.24Å; W81-R84 VanDerWaalsContact O-CG 3.28Å; W81-R84 WeakPolarHBondContact O-CG 3.4Å; W81-R87 HydrophobicContact CD2-CG 4.13Å; W81-R87 HydrophobicContact CE3-CB 4.33Å; W81-R87 HydrophobicContact CE3-CG 3.6Å; W81-R87 HydrophobicContact CH2-CG 4.18Å; W81-R87 HydrophobicContact CZ3-CG 3.63Å; W81-I88 HydrophobicContact CE3-CG1 4.04Å; W81-R91 HydrophobicContact CH2-CG 4.32Å; W81-R91 HydrophobicContact CZ3-CG 4.36Å
82G94Very high96.4Very high27 Ų2774.1 Ų74.128%0.27834%0.341SS..SBendtrans61.1-144.8-171.500000112.6H78 R84H78-G82 PolarHBondContact CD2-O 2.94Å; H78-G82 VanDerWaalsContact O-CA 3.22Å; H78-G82 WeakPolarHBondContact O-CA 3.35Å; H78-G82 PolarHBondContact O-N 2.99Å; G82-R84 PolarHBondContact O-N 3.15Å
83N95.7Very high96.5Very high74 Ų7471.1 Ų71.140%0.39634%0.344SS..SBendtrans-75.132.9-173.5-63.9-26.1000114.7H78 W85 W175H78-N83 PolarHBondContact NE2-OD1 3.08Å; N83-W85 HydrophobicContact CB-CZ2 3.89Å; N83-W85 PolarHBondContact O-N 3.48Å; N83-W85 WeakPolarHBondContact OD1-CH2 3.46Å; N83-W85 WeakPolarHBondContact OD1-CZ2 3.47Å; N83-W175 WeakPolarHBondContact ND2-CZ2 3.31Å; N83-W175 WeakPolarHBondContact OD1-CH2 3.28Å; N83-W175 VanDerWaalsContact OD1-CZ2 3.31Å; N83-W175 WeakPolarHBondContact OD1-CZ2 3.2Å
84R97.2Very high96.5Very high159 Ų15969.5 Ų69.560%0.634%0.342SS*.  trans-85.261176.5-64.2-178.6-170-98.94.2110.6W81 G82 S86 R87 I88W81-R84 HydrophobicContact CB-CB 4.36Å; W81-R84 WeakPolarHBondContact O-CD 3.24Å; W81-R84 VanDerWaalsContact O-CG 3.28Å; W81-R84 WeakPolarHBondContact O-CG 3.4Å; G82-R84 PolarHBondContact O-N 3.15Å; R84-S86 PolarHBondContact O-N 3.25Å; R84-R87 HydrophobicContact CB-CB 3.98Å; R84-R87 WeakPolarHBondContact O-CA 2.83Å; R84-R87 VanDerWaalsContact O-CB 3.27Å; R84-R87 WeakPolarHBondContact O-CB 3.41Å; R84-R87 PolarHBondContact O-N 2.89Å; R84-I88 PolarHBondContact O-N 3.34Å
85W97.9Very high96.6Very high37 Ų3770.3 Ų70.314%0.1435%0.345CS..Hα-helixtrans-52.6-47.4-170.7-52.1118.5000114.1H78 N83 R87 I88 A89 D97 I100 K101 W104 W175H78-W85 AromaticContact CD2-CH2 3.46Å; H78-W85 VanDerWaalsContact CD2-CH2 3.46Å; H78-W85 WeakPolarHBondContact CD2-CH2 3.33Å; H78-W85 AromaticContact CD2-CZ3 3.69Å; H78-W85 AromaticContact NE2-CH2 3.89Å; N83-W85 HydrophobicContact CB-CZ2 3.89Å; N83-W85 PolarHBondContact O-N 3.48Å; N83-W85 WeakPolarHBondContact OD1-CH2 3.46Å; N83-W85 WeakPolarHBondContact OD1-CZ2 3.47Å; W85-R87 PolarHBondContact O-N 3.49Å; W85-I88 HydrophobicContact CE3-CD1 4.03Å; W85-I88 HydrophobicContact CZ3-CD1 4.18Å; W85-I88 PolarHBondContact O-N 3.46Å; W85-A89 WeakPolarHBondContact O-CB 3.46Å; W85-A89 PolarHBondContact O-N 2.86Å; W85-D97 HydrophobicContact CB-CB 3.8Å; W85-I100 HydrophobicContact CE3-CG2 3.73Å; W85-I100 HydrophobicContact CZ3-CG2 4.04Å; W85-K101 HydrophobicContact CD2-CB 4.02Å; W85-K101 HydrophobicContact CG-CB 4.05Å; W85-W104 HydrophobicContact CH2-CB 3.71Å; W85-W104 AromaticContact CH2-CD1 3.87Å; W85-W104 AromaticContact CH2-CD2 3.99Å; W85-W104 HydrophobicContact CH2-CD2 3.99Å; W85-W104 AromaticContact CH2-CG 3.53Å; W85-W104 HydrophobicContact CH2-CG 3.53Å; W85-W104 HydrophobicContact CZ2-CG 4.4Å; W85-W104 HydrophobicContact CZ3-CB 4.06Å; W85-W104 HydrophobicContact CZ3-CG 4.21Å; W85-W175 HydrophobicContact CH2-CH2 4.43Å; W85-W175 HydrophobicContact CZ2-CH2 4.41Å
86S97.5Very high96.7Very high68 Ų6867.7 Ų67.748%0.47633%0.332SS..Hα-helixtrans-66.1-21178.8-330000112.7R84 R90 D97R84-S86 PolarHBondContact O-N 3.25Å; S86-R90 WeakPolarHBondContact O-CG 3.5Å; S86-R90 PolarHBondContact O-NH1 3.08Å; S86-R90 VanDerWaalsContact O-NH1 3.16Å; S86-D97 PolarHBondContact OG-OD2 3.13Å; S86-D97 VanDerWaalsContact OG-OD2 3.06Å
87R98.2Very high96.8Very high105 Ų10565.4 Ų65.440%0.39632%0.323SS..Hα-helixtrans-79.5-38.5171-176.5176-174.1166.54.4111.9W81 R84 W85W81-R87 HydrophobicContact CD2-CG 4.13Å; W81-R87 HydrophobicContact CE3-CB 4.33Å; W81-R87 HydrophobicContact CE3-CG 3.6Å; W81-R87 HydrophobicContact CH2-CG 4.18Å; W81-R87 HydrophobicContact CZ3-CG 3.63Å; R84-R87 HydrophobicContact CB-CB 3.98Å; R84-R87 WeakPolarHBondContact O-CA 2.83Å; R84-R87 VanDerWaalsContact O-CB 3.27Å; R84-R87 WeakPolarHBondContact O-CB 3.41Å; R84-R87 PolarHBondContact O-N 2.89Å; W85-R87 PolarHBondContact O-N 3.49Å
88I98.2Very high96.8Very high0 Ų067.1 Ų67.10%033%0.332CS..Hα-helixtrans-65.8-44.5174.8-60.8175.7000110.3L77 H78 W81 R84 W85 R90 R91 L92 I100L77-I88 HydrophobicContact CB-CD1 4.46Å; L77-I88 HydrophobicContact CB-CG1 4.03Å; L77-I88 HydrophobicContact CB-CG2 4.14Å; L77-I88 HydrophobicContact CD1-CG2 4.08Å; H78-I88 HydrophobicContact CB-CD1 4.19Å; W81-I88 HydrophobicContact CE3-CG1 4.04Å; R84-I88 PolarHBondContact O-N 3.34Å; W85-I88 HydrophobicContact CE3-CD1 4.03Å; W85-I88 HydrophobicContact CZ3-CD1 4.18Å; W85-I88 PolarHBondContact O-N 3.46Å; I88-R90 PolarHBondContact O-N 2.93Å; I88-R90 VanDerWaalsContact O-N 3.13Å; I88-R91 WeakPolarHBondContact O-CB 3.17Å; I88-R91 PolarHBondContact O-N 3.34Å; I88-L92 HydrophobicContact CG2-CD1 4.1Å; I88-I100 HydrophobicContact CG2-CD1 4.23Å; I88-I100 HydrophobicContact CG2-CG2 4.1Å
89A97.9Very high96.9Very high18 Ų1868.4 Ų68.415%0.14934%0.339CS..Hα-helixtrans-55.3-33.1179.800000113.4W85 R91 L92 D97 I100W85-A89 WeakPolarHBondContact O-CB 3.46Å; W85-A89 PolarHBondContact O-N 2.86Å; A89-R91 PolarHBondContact O-N 3.12Å; A89-L92 CarbonylContact O-C 3.59Å; A89-L92 PolarHBondContact O-N 3.05Å; A89-D97 HydrophobicContact CB-CB 4.09Å; A89-I100 VanDerWaalsContact CA-CD1 3.44Å; A89-I100 HydrophobicContact CB-CD1 3.71Å
90R97.5Very high97.1Very high179 Ų17964.2 Ų64.268%0.67530%0.304SS*.THydrogen-bonded Turntrans-61.5-16.3175.3-67.5-167.5-63.7-96.319.6114.3S86 I88S86-R90 WeakPolarHBondContact O-CG 3.5Å; S86-R90 PolarHBondContact O-NH1 3.08Å; S86-R90 VanDerWaalsContact O-NH1 3.16Å; I88-R90 PolarHBondContact O-N 2.93Å; I88-R90 VanDerWaalsContact O-N 3.13Å
91R97.6Very high97.1Very high166 Ų16660.1 Ų60.163%0.62629%0.29SS*.THydrogen-bonded Turntrans-98.7-2.7176.8-59.1-59.5-168.9178.72113.1I73 L77 W81 I88 A89I73-R91 HydrophobicContact CG2-CB 4.44Å; L77-R91 HydrophobicContact CD1-CB 3.54Å; L77-R91 HydrophobicContact CD1-CG 3.6Å; W81-R91 HydrophobicContact CH2-CG 4.32Å; W81-R91 HydrophobicContact CZ3-CG 4.36Å; I88-R91 WeakPolarHBondContact O-CB 3.17Å; I88-R91 PolarHBondContact O-N 3.34Å; A89-R91 PolarHBondContact O-N 3.12Å
92L97.7Very high97Very high4 Ų461.5 Ų61.52%0.02130%0.301CS..SBendtrans-12585.1-175.6-68.6163.9000108.9E70 I73 I74 I88 A89 G94 R95 I100E70-L92 HydrophobicContact CB-CD2 3.93Å; E70-L92 HydrophobicContact CG-CD2 3.97Å; I73-L92 HydrophobicContact CB-CD2 4Å; I73-L92 HydrophobicContact CD1-CD2 4.05Å; I73-L92 HydrophobicContact CG2-CD1 4.46Å; I73-L92 HydrophobicContact CG2-CD2 3.81Å; I73-L92 HydrophobicContact CG2-CG 4.08Å; I74-L92 HydrophobicContact CD1-CD1 4.07Å; I74-L92 HydrophobicContact CG1-CD1 3.45Å; I74-L92 VanDerWaalsContact CG1-CD1 3.45Å; I88-L92 HydrophobicContact CG2-CD1 4.1Å; A89-L92 CarbonylContact O-C 3.59Å; A89-L92 PolarHBondContact O-N 3.05Å; L92-G94 PolarHBondContact O-N 3.18Å; L92-R95 HydrophobicContact CB-CB 3.89Å; L92-R95 HydrophobicContact CB-CG 4.2Å; L92-R95 PolarHBondContact O-N 2.89Å; L92-I100 HydrophobicContact CD1-CD1 3.62Å; L92-I100 HydrophobicContact CD1-CG1 3.96Å
93P96.5Very high97Very high112 Ų11261.2 Ų61.273%0.72729%0.292SS*.THydrogen-bonded Turntrans-59.2131.6-176.124.9-33.7000111K62 R95K62-P93 WeakPolarHBondContact CD-O 3.48Å; P93-R95 VanDerWaalsContact C-N 3.26Å; P93-R95 PolarHBondContact O-N 3.45Å
94G96.8Very high96.9Very high24 Ų2458.5 Ų58.525%0.24728%0.276CS..THydrogen-bonded Turntrans76.62.8-177.700000115.4G60 K62 L92G60-G94 WeakPolarHBondContact O-CA 3.36Å; K62-G94 PolarHBondContact N-O 3.29Å; L92-G94 PolarHBondContact O-N 3.18Å
95R97.8Very high96.6Very high18 Ų1855.2 Ų55.27%0.06826%0.264CS..  trans-103.9139.8169.6-62.9-60-173.3171.23.8111.4K62 G64 R65 M66 E70 L92 P93 E99 I100K62-R95 PolarHBondContact O-NH1 3.22Å; G64-R95 PolarHBondContact O-NH1 3Å; R65-R95 PolarHBondContact O-NH2 3.06Å; M66-R95 HydrophobicContact SD-CG 4.15Å; E70-R95 IonicContact OE1-CZ 2.68Å; E70-R95 IonicContact OE1-NE 3.44Å; E70-R95 PolarHBondContact OE1-NE 3.25Å; E70-R95 IonicContact OE1-NH2 2.77Å; E70-R95 IonicContact OE2-CZ 3.49Å; E70-R95 IonicContact OE2-NE 2.7Å; E70-R95 PolarHBondContact OE2-NE 2.98Å; E70-R95 IonicContact OE2-NH2 3.63Å; E70-R95 PolarHBondContact OE2-NH2 2.9Å; L92-R95 HydrophobicContact CB-CB 3.89Å; L92-R95 HydrophobicContact CB-CG 4.2Å; L92-R95 PolarHBondContact O-N 2.89Å; P93-R95 VanDerWaalsContact C-N 3.26Å; P93-R95 PolarHBondContact O-N 3.45Å; R95-E99 WeakPolarHBondContact CA-OE2 3.49Å; R95-E99 WeakPolarHBondContact CD-OE1 3.08Å; R95-E99 IonicContact CZ-OE1 3.35Å; R95-E99 IonicContact NH1-OE1 3.92Å; R95-E99 PolarHBondContact NH1-OE1 3.34Å; R95-I100 HydrophobicContact CB-CD1 4.47Å
96T97.7Very high96.2Very high14 Ų1457.2 Ų57.29%0.08628%0.28CS..  trans-90.5156.1176.8630000111.3L61 N98 E99 I100L61-T96 HydrophobicContact CD2-CG2 3.43Å; L61-T96 VanDerWaalsContact CD2-CG2 3.43Å; T96-N98 PolarHBondContact O-N 2.83Å; T96-E99 PolarHBondContact N-OE2 3.31Å; T96-E99 PolarHBondContact O-N 3.17Å; T96-E99 WeakPolarHBondContact OG1-CB 3.44Å; T96-E99 VanDerWaalsContact OG1-CG 3.25Å; T96-E99 WeakPolarHBondContact OG1-CG 3.31Å; T96-E99 PolarHBondContact OG1-N 2.82Å; T96-E99 VanDerWaalsContact OG1-N 3.08Å; T96-E99 PolarHBondContact OG1-OE2 3.47Å; T96-I100 WeakPolarHBondContact O-CD1 3.37Å; T96-I100 WeakPolarHBondContact O-CG1 3.3Å; T96-I100 PolarHBondContact O-N 3.46Å; T96-I100 VanDerWaalsContact O-N 3.1Å
97D97.7Very high95.5Very high55 Ų5556.5 Ų56.529%0.29427%0.269SS..Hα-helixtrans-62.1-31.317267.8-32.4000111.9W85 S86 A89 K101W85-D97 HydrophobicContact CB-CB 3.8Å; S86-D97 PolarHBondContact OG-OD2 3.13Å; S86-D97 VanDerWaalsContact OG-OD2 3.06Å; A89-D97 HydrophobicContact CB-CB 4.09Å; D97-K101 WeakPolarHBondContact O-CB 3.27Å; D97-K101 PolarHBondContact O-N 3.3Å
98N97.3Very high94.5Very high47 Ų4752.3 Ų52.325%0.25125%0.254SS..Hα-helixtrans-64.8-44.6173.7-170.762.9000112.7N55 T96 K101 N102N55-N98 WeakPolarHBondContact OD1-CB 3.31Å; T96-N98 PolarHBondContact O-N 2.83Å; N98-K101 PolarHBondContact O-N 3.16Å; N98-K101 WeakPolarHBondContact OD1-CE 3.23Å; N98-K101 PolarHBondContact OD1-NZ 2.82Å; N98-K101 VanDerWaalsContact OD1-NZ 3.08Å; N98-N102 VanDerWaalsContact O-CB 3.31Å; N98-N102 WeakPolarHBondContact O-CB 3.42Å; N98-N102 PolarHBondContact O-N 2.87Å
99E97Very high93.2Very high44 Ų4458.2 Ų58.221%0.20628%0.276CS..Hα-helixtrans-60.7-46.9174.6-77.7169.997.300111.5M66 R95 T96 K101 N102 Y103M66-E99 HydrophobicContact CE-CB 4.49Å; R95-E99 WeakPolarHBondContact CA-OE2 3.49Å; R95-E99 WeakPolarHBondContact CD-OE1 3.08Å; R95-E99 IonicContact CZ-OE1 3.35Å; R95-E99 IonicContact NH1-OE1 3.92Å; R95-E99 PolarHBondContact NH1-OE1 3.34Å; T96-E99 PolarHBondContact N-OE2 3.31Å; T96-E99 PolarHBondContact O-N 3.17Å; T96-E99 WeakPolarHBondContact OG1-CB 3.44Å; T96-E99 VanDerWaalsContact OG1-CG 3.25Å; T96-E99 WeakPolarHBondContact OG1-CG 3.31Å; T96-E99 PolarHBondContact OG1-N 2.82Å; T96-E99 VanDerWaalsContact OG1-N 3.08Å; T96-E99 PolarHBondContact OG1-OE2 3.47Å; E99-K101 PolarHBondContact O-N 3.45Å; E99-N102 PolarHBondContact O-N 3.32Å; E99-N102 VanDerWaalsContact O-N 3.15Å; E99-Y103 WeakPolarHBondContact O-CB 3.18Å; E99-Y103 PolarHBondContact O-N 2.96Å
100I96.9Very high92.4Very high0 Ų062.8 Ų62.80%029%0.293CS..Hα-helixtrans-62.9-45.8-179.1-64.5159000110.5M66 I74 W85 I88 A89 L92 R95 T96 N102 Y103 W104M66-I100 HydrophobicContact CE-CG1 4.34Å; I74-I100 HydrophobicContact CD1-CG1 4.18Å; I74-I100 HydrophobicContact CD1-CG2 4.16Å; I74-I100 HydrophobicContact CG1-CG1 4.41Å; I74-I100 HydrophobicContact CG1-CG2 4.01Å; I74-I100 HydrophobicContact CG2-CG2 3.92Å; W85-I100 HydrophobicContact CE3-CG2 3.73Å; W85-I100 HydrophobicContact CZ3-CG2 4.04Å; I88-I100 HydrophobicContact CG2-CD1 4.23Å; I88-I100 HydrophobicContact CG2-CG2 4.1Å; A89-I100 VanDerWaalsContact CA-CD1 3.44Å; A89-I100 HydrophobicContact CB-CD1 3.71Å; L92-I100 HydrophobicContact CD1-CD1 3.62Å; L92-I100 HydrophobicContact CD1-CG1 3.96Å; R95-I100 HydrophobicContact CB-CD1 4.47Å; T96-I100 WeakPolarHBondContact O-CD1 3.37Å; T96-I100 WeakPolarHBondContact O-CG1 3.3Å; T96-I100 PolarHBondContact O-N 3.46Å; T96-I100 VanDerWaalsContact O-N 3.1Å; I100-N102 VanDerWaalsContact C-N 3.3Å; I100-N102 PolarHBondContact O-N 2.88Å; I100-Y103 PolarHBondContact O-N 2.94Å; I100-W104 WeakPolarHBondContact O-CB 3.23Å; I100-W104 PolarHBondContact O-N 3.29Å
101K95.9Very high91.3Very high65 Ų6557.7 Ų57.728%0.28328%0.276SS..Hα-helixtrans-59.9-40.3174.4177.6-174.869.8-158.70111.5W85 D97 N98 E99 R105W85-K101 HydrophobicContact CD2-CB 4.02Å; W85-K101 HydrophobicContact CG-CB 4.05Å; D97-K101 WeakPolarHBondContact O-CB 3.27Å; D97-K101 PolarHBondContact O-N 3.3Å; N98-K101 PolarHBondContact O-N 3.16Å; N98-K101 WeakPolarHBondContact OD1-CE 3.23Å; N98-K101 PolarHBondContact OD1-NZ 2.82Å; N98-K101 VanDerWaalsContact OD1-NZ 3.08Å; E99-K101 PolarHBondContact O-N 3.45Å; K101-R105 WeakPolarHBondContact O-CB 3.27Å; K101-R105 PolarHBondContact O-N 3.49Å
102N94.9Very high90Very high76 Ų7651 Ų5141%0.40626%0.256SS..Hα-helixtrans-69.5-43.4178.3-169.648.9000112.3N98 E99 I100 W104 R105 T106N98-N102 VanDerWaalsContact O-CB 3.31Å; N98-N102 WeakPolarHBondContact O-CB 3.42Å; N98-N102 PolarHBondContact O-N 2.87Å; E99-N102 PolarHBondContact O-N 3.32Å; E99-N102 VanDerWaalsContact O-N 3.15Å; I100-N102 VanDerWaalsContact C-N 3.3Å; I100-N102 PolarHBondContact O-N 2.88Å; N102-W104 VanDerWaalsContact C-N 3.32Å; N102-W104 PolarHBondContact O-N 3.37Å; N102-R105 PolarHBondContact O-N 3.42Å; N102-T106 WeakPolarHBondContact O-CG2 3.12Å; N102-T106 PolarHBondContact O-N 3.3Å; N102-T106 PolarHBondContact O-OG1 3.47Å
103Y93.9Very high89Confident21 Ų2155.9 Ų55.98%0.08228%0.279CS..Hα-helixtrans-55.9-49.3172.2169.3-96.1000110.3M66 E71 I74 E99 I100 R105 T106 H107M66-Y103 HydrophobicContact CB-CD2 3.88Å; M66-Y103 HydrophobicContact CB-CE2 4.13Å; M66-Y103 VanDerWaalsContact CE-CB 3.46Å; M66-Y103 HydrophobicContact CE-CD1 4.45Å; M66-Y103 HydrophobicContact CE-CD2 4.36Å; M66-Y103 HydrophobicContact CE-CG 3.84Å; M66-Y103 HydrophobicContact CG-CD2 4.29Å; M66-Y103 HydrophobicContact CG-CG 4.46Å; E71-Y103 WeakPolarHBondContact CB-OH 3.43Å; E71-Y103 HydrophobicContact CG-CE1 4.39Å; E71-Y103 HydrophobicContact CG-CE2 3.71Å; E71-Y103 VanDerWaalsContact CG-OH 3.22Å; E71-Y103 WeakPolarHBondContact CG-OH 3.25Å; I74-Y103 HydrophobicContact CB-CE1 4.5Å; I74-Y103 HydrophobicContact CD1-CD1 3.83Å; I74-Y103 HydrophobicContact CD1-CE1 4.22Å; I74-Y103 HydrophobicContact CD1-CG 4.41Å; I74-Y103 HydrophobicContact CG2-CD1 4.06Å; I74-Y103 HydrophobicContact CG2-CE1 4.16Å; E99-Y103 WeakPolarHBondContact O-CB 3.18Å; E99-Y103 PolarHBondContact O-N 2.96Å; I100-Y103 PolarHBondContact O-N 2.94Å; Y103-R105 PolarHBondContact O-N 3.5Å; Y103-T106 PolarHBondContact O-N 3Å; Y103-T106 PolarHBondContact O-OG1 3.06Å; Y103-H107 HydrophobicContact CD2-CB 4.4Å; Y103-H107 HydrophobicContact CE1-CB 4.39Å; Y103-H107 HydrophobicContact CE2-CB 4.03Å; Y103-H107 AromaticContact CZ-CD2 3.85Å; Y103-H107 AromaticContact CZ-CG 3.86Å; Y103-H107 WeakPolarHBondContact O-CB 3.38Å; Y103-H107 PolarHBondContact O-N 2.95Å; Y103-H107 PolarHBondContact OH-CD2 2.93Å; Y103-H107 VanDerWaalsContact OH-CD2 3.3Å
104W93.4Very high88Confident16 Ų1653.5 Ų53.56%0.06126%0.258CS..Hα-helixtrans-59.5-48.7178-171.7-86.6000112I74 H78 W85 I100 N102 T106 M108 W175I74-W104 HydrophobicContact CG2-CE3 4.14Å; H78-W104 HydrophobicContact CB-CE3 4.21Å; H78-W104 HydrophobicContact CB-CH2 4.04Å; H78-W104 HydrophobicContact CB-CZ3 3.68Å; H78-W104 AromaticContact CE1-CE2 3.95Å; H78-W104 AromaticContact CE1-CH2 3.66Å; H78-W104 AromaticContact CE1-CZ2 3.4Å; H78-W104 WeakPolarHBondContact CE1-CZ2 3.23Å; H78-W104 AromaticContact CG-CE3 3.95Å; H78-W104 AromaticContact CG-CH2 3.46Å; H78-W104 VanDerWaalsContact CG-CH2 3.46Å; H78-W104 AromaticContact CG-CZ2 3.87Å; H78-W104 AromaticContact CG-CZ3 3.51Å; H78-W104 AromaticContact ND1-CH2 3.14Å; H78-W104 WeakPolarHBondContact ND1-CH2 3.32Å; H78-W104 AromaticContact ND1-CZ2 3.43Å; H78-W104 WeakPolarHBondContact ND1-CZ2 3.4Å; H78-W104 AromaticContact ND1-CZ3 3.72Å; H78-W104 AromaticContact NE2-CE2 3.86Å; H78-W104 AromaticContact NE2-CZ2 3.79Å; W85-W104 HydrophobicContact CH2-CB 3.71Å; W85-W104 AromaticContact CH2-CD1 3.87Å; W85-W104 AromaticContact CH2-CD2 3.99Å; W85-W104 HydrophobicContact CH2-CD2 3.99Å; W85-W104 AromaticContact CH2-CG 3.53Å; W85-W104 HydrophobicContact CH2-CG 3.53Å; W85-W104 HydrophobicContact CZ2-CG 4.4Å; W85-W104 HydrophobicContact CZ3-CB 4.06Å; W85-W104 HydrophobicContact CZ3-CG 4.21Å; I100-W104 WeakPolarHBondContact O-CB 3.23Å; I100-W104 PolarHBondContact O-N 3.29Å; N102-W104 VanDerWaalsContact C-N 3.32Å; N102-W104 PolarHBondContact O-N 3.37Å; W104-T106 VanDerWaalsContact C-N 3.31Å; W104-T106 PolarHBondContact O-N 2.87Å; W104-M108 HydrophobicContact CD2-CG 3.69Å; W104-M108 HydrophobicContact CE3-CG 4.26Å; W104-M108 HydrophobicContact CG-CG 4.09Å; W104-M108 HydrophobicContact CH2-CG 4.18Å; W104-M108 HydrophobicContact CH2-SD 3.99Å; W104-M108 HydrophobicContact CZ2-CG 3.58Å; W104-M108 HydrophobicContact CZ2-SD 3.88Å; W104-M108 HydrophobicContact CZ3-CG 4.48Å; W104-M108 HydrophobicContact CZ3-SD 4.39Å; W104-M108 VanDerWaalsContact O-CB 3.27Å; W104-M108 WeakPolarHBondContact O-CB 3.43Å; W104-M108 WeakPolarHBondContact O-CG 3.4Å; W104-M108 PolarHBondContact O-N 3.07Å; W104-W175 AromaticContact CD1-CH2 3.42Å; W104-W175 VanDerWaalsContact CD1-CH2 3.42Å; W104-W175 HydrophobicContact CD2-CH2 4.48Å; W104-W175 AromaticContact CE2-CH2 3.58Å; W104-W175 AromaticContact CE2-CZ3 3.49Å; W104-W175 VanDerWaalsContact CE2-CZ3 3.49Å; W104-W175 HydrophobicContact CG-CH2 4.39Å; W104-W175 HydrophobicContact CZ2-CH2 4.14Å; W104-W175 AromaticContact CZ2-CZ3 3.56Å; W104-W175 HydrophobicContact CZ2-CZ3 3.56Å; W104-W175 AromaticContact NE1-CH2 2.83Å; W104-W175 AromaticContact NE1-CZ2 3.78Å; W104-W175 AromaticContact NE1-CZ3 3.09Å
105R90.4Very high86.9Confident91 Ų9160.8 Ų60.834%0.34328%0.278SS..Hα-helixtrans-58-41.5179.4-172.8-171.6-62.1128.8-7.5112.3K101 N102 Y103 R109K101-R105 WeakPolarHBondContact O-CB 3.27Å; K101-R105 PolarHBondContact O-N 3.49Å; N102-R105 PolarHBondContact O-N 3.42Å; Y103-R105 PolarHBondContact O-N 3.5Å; R105-R109 WeakPolarHBondContact O-CB 3.14Å; R105-R109 VanDerWaalsContact O-CD 3.23Å; R105-R109 WeakPolarHBondContact O-CD 3.45Å; R105-R109 WeakPolarHBondContact O-CG 3.1Å
106T88.9Confident85.6Confident78 Ų7866.2 Ų66.248%0.47930%0.302SS..Hα-helixtrans-82.7-43.2-176.351.50000112.3N102 Y103 W104 K110N102-T106 WeakPolarHBondContact O-CG2 3.12Å; N102-T106 PolarHBondContact O-N 3.3Å; N102-T106 PolarHBondContact O-OG1 3.47Å; Y103-T106 PolarHBondContact O-N 3Å; Y103-T106 PolarHBondContact O-OG1 3.06Å; W104-T106 VanDerWaalsContact C-N 3.31Å; W104-T106 PolarHBondContact O-N 2.87Å; T106-K110 PolarHBondContact O-N 3.2Å
107H83.7Confident84.3Confident53 Ų5371.9 Ų71.925%0.24533%0.329CS..Hα-helixtrans-73.6-38.9-176.9-165.272.6000112.5Y103 K110 K111Y103-H107 HydrophobicContact CD2-CB 4.4Å; Y103-H107 HydrophobicContact CE1-CB 4.39Å; Y103-H107 HydrophobicContact CE2-CB 4.03Å; Y103-H107 AromaticContact CZ-CD2 3.85Å; Y103-H107 AromaticContact CZ-CG 3.86Å; Y103-H107 WeakPolarHBondContact O-CB 3.38Å; Y103-H107 PolarHBondContact O-N 2.95Å; Y103-H107 PolarHBondContact OH-CD2 2.93Å; Y103-H107 VanDerWaalsContact OH-CD2 3.3Å; H107-K110 PolarHBondContact O-N 2.86Å; H107-K111 WeakPolarHBondContact NE2-CE 3.41Å; H107-K111 PolarHBondContact NE2-NZ 3.47Å; H107-K111 PolarHBondContact O-N 3.18Å; H107-K111 VanDerWaalsContact O-N 3.08Å
108M76.4Confident82.6Confident17 Ų1772.4 Ų72.48%0.08435%0.347CS..Hα-helixtrans-73.1-36178.3-67.7-54.1100.200112.8W104 K110 K111 A112 I178W104-M108 HydrophobicContact CD2-CG 3.69Å; W104-M108 HydrophobicContact CE3-CG 4.26Å; W104-M108 HydrophobicContact CG-CG 4.09Å; W104-M108 HydrophobicContact CH2-CG 4.18Å; W104-M108 HydrophobicContact CH2-SD 3.99Å; W104-M108 HydrophobicContact CZ2-CG 3.58Å; W104-M108 HydrophobicContact CZ2-SD 3.88Å; W104-M108 HydrophobicContact CZ3-CG 4.48Å; W104-M108 HydrophobicContact CZ3-SD 4.39Å; W104-M108 VanDerWaalsContact O-CB 3.27Å; W104-M108 WeakPolarHBondContact O-CB 3.43Å; W104-M108 WeakPolarHBondContact O-CG 3.4Å; W104-M108 PolarHBondContact O-N 3.07Å; M108-K110 VanDerWaalsContact C-N 3.28Å; M108-K110 PolarHBondContact O-N 3.26Å; M108-K111 HydrophobicContact CE-CD 3.9Å; M108-K111 PolarHBondContact O-N 3.36Å; M108-K111 HydrophobicContact SD-CD 4.43Å; M108-A112 WeakPolarHBondContact O-CB 3.45Å; M108-A112 PolarHBondContact O-N 3.43Å; M108-I178 HydrophobicContact CB-CD1 4.39Å; M108-I178 HydrophobicContact CG-CD1 4.47Å; M108-I178 HydrophobicContact SD-CD1 4.44Å
109R72.4Confident80.9Confident125 Ų12576.2 Ų76.247%0.47237%0.365SS..Hα-helixtrans-58.1-44.1171.8-79.1177.9-176.1-175.2-2.4111R105 A112 Q113R105-R109 WeakPolarHBondContact O-CB 3.14Å; R105-R109 VanDerWaalsContact O-CD 3.23Å; R105-R109 WeakPolarHBondContact O-CD 3.45Å; R105-R109 WeakPolarHBondContact O-CG 3.1Å; R109-A112 PolarHBondContact O-N 3.05Å; R109-Q113 WeakPolarHBondContact O-CG 3.39Å; R109-Q113 PolarHBondContact O-N 3.27Å
110K79.1Confident79.1Confident114 Ų11479.7 Ų79.750%0.49639%0.392SS..Hα-helixtrans-60.7-47.5176.4-177.9171.6171.1174.20111.7T106 H107 M108 A112 Q113 E114T106-K110 PolarHBondContact O-N 3.2Å; H107-K110 PolarHBondContact O-N 2.86Å; M108-K110 VanDerWaalsContact C-N 3.28Å; M108-K110 PolarHBondContact O-N 3.26Å; K110-A112 VanDerWaalsContact C-N 3.32Å; K110-A112 PolarHBondContact O-N 2.77Å; K110-Q113 PolarHBondContact O-N 3.44Å; K110-E114 WeakPolarHBondContact CE-OE1 3.46Å; K110-E114 HydrophobicContact CG-CG 4.39Å; K110-E114 WeakPolarHBondContact CG-OE1 3.28Å; K110-E114 IonicContact NZ-OE1 3.84Å; K110-E114 VanDerWaalsContact O-CG 3.32Å; K110-E114 WeakPolarHBondContact O-CG 3.39Å; K110-E114 PolarHBondContact O-N 2.9Å
111K74.9Confident77.3Confident71 Ų7183.7 Ų83.731%0.30942%0.42SS..Hα-helixtrans-60.9-37.7175.9-74.4-172.5178174.70113.3H107 M108 R115H107-K111 WeakPolarHBondContact NE2-CE 3.41Å; H107-K111 PolarHBondContact NE2-NZ 3.47Å; H107-K111 PolarHBondContact O-N 3.18Å; H107-K111 VanDerWaalsContact O-N 3.08Å; M108-K111 HydrophobicContact CE-CD 3.9Å; M108-K111 PolarHBondContact O-N 3.36Å; M108-K111 HydrophobicContact SD-CD 4.43Å; K111-R115 VanDerWaalsContact O-CG 3.29Å; K111-R115 WeakPolarHBondContact O-CG 3.45Å; K111-R115 PolarHBondContact O-N 3.08Å
112A71.5Confident75.6Confident26 Ų2686.6 Ų86.622%0.21545%0.445CS..Hα-helixtrans-67.8-39176.200000112M108 R109 K110 K116M108-A112 WeakPolarHBondContact O-CB 3.45Å; M108-A112 PolarHBondContact O-N 3.43Å; R109-A112 PolarHBondContact O-N 3.05Å; K110-A112 VanDerWaalsContact C-N 3.32Å; K110-A112 PolarHBondContact O-N 2.77Å; A112-K116 WeakPolarHBondContact O-CG 3.22Å; A112-K116 PolarHBondContact O-N 3.42Å; A112-K116 VanDerWaalsContact O-N 3.14Å
113Q76Confident73.6Confident106 Ų10688.2 Ų88.250%0.49546%0.462SS..Hα-helixtrans-67.1-44.4175.8-73.5172.7-19.900112.2R109 K110 R115 K116 M117R109-Q113 WeakPolarHBondContact O-CG 3.39Å; R109-Q113 PolarHBondContact O-N 3.27Å; K110-Q113 PolarHBondContact O-N 3.44Å; Q113-R115 VanDerWaalsContact C-N 3.28Å; Q113-R115 PolarHBondContact O-N 2.98Å; Q113-K116 PolarHBondContact O-N 3.28Å; Q113-K116 VanDerWaalsContact O-N 3.13Å; Q113-M117 PolarHBondContact O-N 2.84Å
114E76.5Confident71.6Confident62 Ų6292.7 Ų92.729%0.2950%0.497SS..Hα-helixtrans-58.9-40.3177.1-72.9168.7171.400111.6K110 G118K110-E114 WeakPolarHBondContact CE-OE1 3.46Å; K110-E114 HydrophobicContact CG-CG 4.39Å; K110-E114 WeakPolarHBondContact CG-OE1 3.28Å; K110-E114 IonicContact NZ-OE1 3.84Å; K110-E114 VanDerWaalsContact O-CG 3.32Å; K110-E114 WeakPolarHBondContact O-CG 3.39Å; K110-E114 PolarHBondContact O-N 2.9Å; E114-G118 PolarHBondContact O-N 3.44Å
115R73Confident69.2Low178 Ų17897.9 Ų97.967%0.67254%0.535SS*.Hα-helixtrans-67.1-38.6175-71.3173.7-175.3-179.3-0.6113.1K111 Q113K111-R115 VanDerWaalsContact O-CG 3.29Å; K111-R115 WeakPolarHBondContact O-CG 3.45Å; K111-R115 PolarHBondContact O-N 3.08Å; Q113-R115 VanDerWaalsContact C-N 3.28Å; Q113-R115 PolarHBondContact O-N 2.98Å
116K70.5Confident67.2Low132 Ų13299 Ų9957%0.57456%0.557SS**Hα-helixtrans-71.8-33179.9-77.3-176177.8-174.60113A112 Q113 Y169A112-K116 WeakPolarHBondContact O-CG 3.22Å; A112-K116 PolarHBondContact O-N 3.42Å; A112-K116 VanDerWaalsContact O-N 3.14Å; Q113-K116 PolarHBondContact O-N 3.28Å; Q113-K116 VanDerWaalsContact O-N 3.13Å; K116-Y169 PolarHBondContact NZ-OH 2.95Å
117M69.5Low65Low132 Ų132100.6 Ų100.665%0.6557%0.571SS**Hα-helixtrans-90.9-4.4-176.4-66.1-179.5177.400113.7Q113 M119Q113-M117 PolarHBondContact O-N 2.84Å; M117-M119 HydrophobicContact CB-CB 4.46Å; M117-M119 HydrophobicContact CB-CG 3.99Å; M117-M119 HydrophobicContact CB-SD 4.3Å; M117-M119 PolarHBondContact O-N 3.06Å
118G62.3Low63.2Low66 Ų66103.4 Ų103.468%0.6860%0.597SS**THydrogen-bonded Turntrans57.414.7-177.700000113.8E114 P120E114-G118 PolarHBondContact O-N 3.44Å; G118-P120 WeakPolarHBondContact O-CD 3.48Å
119M62.7Low61.7Low128 Ų128109.3 Ų109.363%0.63163%0.628SS**  trans-81.3122.9-174.7-74.4-176.577.100109.3M117 S121M117-M119 HydrophobicContact CB-CB 4.46Å; M117-M119 HydrophobicContact CB-CG 3.99Å; M117-M119 HydrophobicContact CB-SD 4.3Å; M117-M119 PolarHBondContact O-N 3.06Å; M119-S121 PolarHBondContact O-N 3.18Å
120P59.3Low60.5Low117 Ų117110.2 Ų110.276%0.7665%0.648SS**  trans-64133.616825.9-29.6000108.8G118G118-P120 WeakPolarHBondContact O-CD 3.48Å
121S58.6Low58.8Low84 Ų84114.2 Ų114.259%0.58766%0.661SS**  trans-45.5138.6176.4-44.80000111.4M119 S123M119-S121 PolarHBondContact O-N 3.18Å; S121-S123 PolarHBondContact O-N 3.33Å
122P59.6Low57.5Low125 Ų125119.2 Ų119.281%0.81269%0.686SS**  trans-67.7101.2178.126.8-31.5000109
123S52.3Low55.9Low110 Ų110124 Ų12477%0.76971%0.712SS**  trans-73.8133.4162.144.10000108S121 S125S121-S123 PolarHBondContact O-N 3.33Å; S123-S125 PolarHBondContact O-N 3.14Å
124S52.1Low54.4Low116 Ų116125.1 Ų125.181%0.81173%0.731SS**  trans-54.2120.8-174.2-45.20000112.4S126S124-S126 PolarHBondContact O-N 3.39Å; S124-S126 VanDerWaalsContact O-N 3.16Å
125S42.5Very low53Low124 Ų124129.3 Ų129.387%0.86775%0.754SS**  trans-64.8107.5167.8-49.80000110.1S123S123-S125 PolarHBondContact O-N 3.14Å
126S49.3Very low51.6Low114 Ų114127.9 Ų127.980%0.79776%0.759SS**  trans-101.1103.2160.4-860000108.9S124 S128S124-S126 PolarHBondContact O-N 3.39Å; S124-S126 VanDerWaalsContact O-N 3.16Å; S126-S128 PolarHBondContact O-N 2.98Å
127S43.8Very low50.3Low112 Ų112128.3 Ų128.378%0.78377%0.767SS**  trans-56.6118.1155.548.60000110.2
128S45.5Very low49.3Very low112 Ų112128.2 Ų128.278%0.78377%0.774SS**  trans-135.7100.5157.4-82.90000108.8S126 T130S126-S128 PolarHBondContact O-N 2.98Å; S128-T130 PolarHBondContact O-N 2.73Å
129L45.1Very low49Very low141 Ų141132.6 Ų132.674%0.73878%0.781SS**  trans-55.1123.1168.3-70.7151.9000109.4Y131L129-Y131 HydrophobicContact CB-CD2 4.18Å; L129-Y131 HydrophobicContact CB-CE2 4.01Å; L129-Y131 HydrophobicContact CD1-CE2 4.4Å; L129-Y131 PolarHBondContact O-N 3.28Å; L129-Y131 VanDerWaalsContact O-N 3.11Å
130T45.5Very low48.1Very low144 Ų144131.9 Ų131.988%0.88379%0.786SS**  trans-72.697.1167.4-39.90000108.1S128S128-T130 PolarHBondContact O-N 2.73Å
131Y45.2Very low47.6Very low198 Ų198132.5 Ų132.578%0.77679%0.787SS**  trans-88.1107.2156.7-74.4-85.3000107.3L129L129-Y131 HydrophobicContact CB-CD2 4.18Å; L129-Y131 HydrophobicContact CB-CE2 4.01Å; L129-Y131 HydrophobicContact CD1-CE2 4.4Å; L129-Y131 PolarHBondContact O-N 3.28Å; L129-Y131 VanDerWaalsContact O-N 3.11Å
132Q47.6Very low47.3Very low177 Ų177135.8 Ų135.883%0.82780%0.796SS**  trans-164.4102.5146.2-109.1178.442.200110.6
133T38Very low46.5Very low126 Ų126133.5 Ų133.577%0.77380%0.795SS**  trans46104.5132.7-57.70000118.7
134C43.8Very low46.5Very low130 Ų130137 Ų13788%0.87880%0.802SS**  -141.5132.6128.556.10000109.5
135L47.3Very low46Very low149 Ų149135.2 Ų135.278%0.7880%0.802SS**  trans-82168.1-176.9-67.8169.8000111.2
136L43.1Very low46.1Very low148 Ų148135.3 Ų135.378%0.77580%0.803SS**  trans97.499.3160.3-67.5122000118.1
137D43.2Very low45.9Very low141 Ų141133.6 Ų133.675%0.75480%0.802SS**  61.5115.6116.9-75.9-27.2000120.9
138T48.2Very low46Very low130 Ų130135.3 Ų135.380%0.79880%0.803SS**  134.699.1124.1-48.40000114.5
139I56Low45.8Very low159 Ų159135.1 Ų135.182%0.81580%0.797SS**  trans22.7145.2138.7-59.3-79.9000121
140P44.3Very low46.1Very low112 Ų112136.4 Ų136.473%0.72780%0.799SS**  trans-112.1170.7-154.240.1-25.6000116.3
141V48.2Very low46.3Very low130 Ų130136.7 Ų136.779%0.78880%0.795SS**  trans-144.9115.3170.51630000112.8
142I52.1Low46.1Very low154 Ų154131 Ų13179%0.7980%0.797SS**  trans38.4128.5131.3-47.5170.9000120.1
143G44.6Very low45.9Very low76 Ų76127.9 Ų127.978%0.78480%0.795SS**  trans179.991.7157.500000114.6
144M50.4Low45.7Very low184 Ų184127.5 Ų127.591%0.90680%0.796SS**  trans-70.5154.8171.6-67.1115.670.500112.7
145G42.9Very low45.8Very low79 Ų79127.5 Ų127.581%0.81479%0.792SS**  trans-176.399.3166.500000113.6
146S44.9Very low45.3Very low126 Ų126126.8 Ų126.888%0.88179%0.794SS**  trans-70.2160-179.2-51.50000114.7
147G44.1Very low45.3Very low77 Ų77125.1 Ų125.179%0.79479%0.794SS**  trans-171.7116.9163.900000112.8
148D46Very low45.1Very low149 Ų149123.4 Ų123.480%0.79779%0.789SS**  trans-78.1148-162.6-66.6-69.8000117.8
149T40.8Very low45Very low107 Ų107125.7 Ų125.766%0.65680%0.796SS**  23.7126.3129.2-34.30000120.2
150H52.4Low44.1Very low168 Ų168125.6 Ų125.678%0.77879%0.791SS**  179.8129.3120.1-94-68.9000114
151N48.9Very low43.6Very low150 Ų150125.5 Ų125.580%0.80279%0.785SS**  trans47.8112.4145.9-77.5-0000122.1
152G42.3Very low43.1Very low80 Ų80125.5 Ų125.583%0.82579%0.785SS**  78.7107.1103.500000117.9
153S42.3Very low42.5Very low110 Ų110126.8 Ų126.877%0.76979%0.788SS**  177.1119.2121.8-1730000109.4
154C33.2Very low42.3Very low119 Ų119127.5 Ų127.580%0.80478%0.781SS**  trans-77118.517251.20000109.6
155V46.9Very low41.8Very low130 Ų130124.4 Ų124.479%0.78877%0.772SS**  trans-112.3108.2162.1-68.90000108.2S157V155-S157 PolarHBondContact O-N 3.49Å
156T35.7Very low41.7Very low134 Ų134128.6 Ų128.682%0.82277%0.772SS**  trans-65.3106.1168.845.30000108.6
157S44.8Very low41.7Very low112 Ų112131 Ų13178%0.78378%0.776SS**  trans-85.8110.9166.958.40000109.4V155 L159V155-S157 PolarHBondContact O-N 3.49Å; S157-L159 PolarHBondContact O-N 2.87Å
158T38.9Very low41.6Very low106 Ų106130.2 Ų130.265%0.6577%0.768SS**  trans-39113.4171.4-49.20000113.1E160T158-E160 HydrophobicContact CG2-CB 3.83Å; T158-E160 HydrophobicContact CG2-CG 3.49Å; T158-E160 VanDerWaalsContact CG2-CG 3.49Å; T158-E160 PolarHBondContact O-N 2.83Å; T158-E160 VanDerWaalsContact O-N 3.1Å
159L45.3Very low41.9Very low178 Ų178129 Ų12993%0.93275%0.753SS**  trans-79.275.5160.7-106.7161.4000107.7S157 N161S157-L159 PolarHBondContact O-N 2.87Å; L159-N161 PolarHBondContact O-N 3.21Å; L159-N161 VanDerWaalsContact O-N 3.16Å
160E37.7Very low42.8Very low156 Ų156127.6 Ų127.673%0.72975%0.745SS**  trans-79.894.9173-109.8172.7167.300109.5T158 T162T158-E160 HydrophobicContact CG2-CB 3.83Å; T158-E160 HydrophobicContact CG2-CG 3.49Å; T158-E160 VanDerWaalsContact CG2-CG 3.49Å; T158-E160 PolarHBondContact O-N 2.83Å; T158-E160 VanDerWaalsContact O-N 3.1Å; E160-T162 PolarHBondContact O-N 3.29Å; E160-T162 VanDerWaalsContact O-N 3.13Å
161N33.4Very low43.1Very low110 Ų110123 Ų12359%0.58873%0.725SS**  34.570.6129.9-161.247.5000116.9L159 Q163L159-N161 PolarHBondContact O-N 3.21Å; L159-N161 VanDerWaalsContact O-N 3.16Å; N161-Q163 PolarHBondContact O-N 3.16Å
162T36.9Very low43.8Very low130 Ų130121 Ų12180%0.79872%0.715SS**THydrogen-bonded Turntrans-80.417.9170.1-3.20000113.3E160E160-T162 PolarHBondContact O-N 3.29Å; E160-T162 VanDerWaalsContact O-N 3.13Å
163Q39.9Very low44.7Very low182 Ų182120.8 Ų120.885%0.8569%0.692SS**THydrogen-bonded Turntrans-87.40.1-177.4-99.8173.29.500114.7N161N161-Q163 PolarHBondContact O-N 3.16Å
164S40.4Very low45.6Very low91 Ų91116.8 Ų116.864%0.63666%0.662SS**SBendtrans-110.17.3-174.6770000116.9
165V39.3Very low47Very low119 Ų119112.5 Ų112.572%0.72163%0.629SS**SBendtrans-114.632.3-175.5-160.80000112.9
166M42.1Very low47.7Very low166 Ų166112.7 Ų112.782%0.81862%0.619SS**  trans-135.512-177.4-66.4-151.4174.900116.1G168M166-G168 PolarHBondContact O-N 3.1Å
167D44.4Very low49.2Very low177 Ų177110 Ų11095%0.94760%0.597SS**THydrogen-bonded Turntrans-85.719.5-180-142.812.5000114.1
168G42.4Very low49.9Very low61 Ų61107.3 Ų107.363%0.62957%0.573SS**THydrogen-bonded Turntrans-144.514.7-16600000117.2M166 P170M166-G168 PolarHBondContact O-N 3.1Å; G168-P170 WeakPolarHBondContact O-CD 3.35Å
169Y51.4Low50.9Low124 Ų124109.4 Ų109.449%0.48658%0.575SS.*  trans-94.291.5171.4-120.1-102.8000109.7K116 M171 Q173 I174K116-Y169 PolarHBondContact NZ-OH 2.95Å; Y169-M171 PolarHBondContact O-N 2.93Å; Y169-Q173 HydrophobicContact CD1-CB 4.28Å; Y169-Q173 HydrophobicContact CD1-CG 4.23Å; Y169-Q173 HydrophobicContact CE1-CB 4.3Å; Y169-Q173 HydrophobicContact CE1-CG 3.76Å; Y169-I174 HydrophobicContact CD1-CG1 4Å
170P59.7Low51.4Low76 Ų76104.1 Ų104.149%0.49456%0.558SS.*  trans-61.1135.9178.926.6-33.8000108.1G168 D172 Q173G168-P170 WeakPolarHBondContact O-CD 3.35Å; P170-D172 PolarHBondContact O-N 3.2Å; P170-Q173 HydrophobicContact CG-CB 4.22Å; P170-Q173 WeakPolarHBondContact O-CB 3.48Å; P170-Q173 PolarHBondContact O-N 3.13Å
171M60Low51.6Low71 Ų71101.3 Ų101.335%0.3555%0.553SS.*Hα-helixtrans-48.3-34.6-179-76.6-70.2-54.900112Y169 Q173 I174 W175Y169-M171 PolarHBondContact O-N 2.93Å; M171-Q173 PolarHBondContact O-N 3.23Å; M171-I174 WeakPolarHBondContact O-CB 3.42Å; M171-I174 PolarHBondContact O-N 3.36Å; M171-I174 HydrophobicContact SD-CD1 4.36Å; M171-W175 HydrophobicContact CE-CZ2 3.82Å; M171-W175 VanDerWaalsContact O-CG 3.28Å; M171-W175 PolarHBondContact O-N 3.18Å; M171-W175 PolarHBondContact O-NE1 3.28Å
172D63.1Low52.2Low110 Ų110104.2 Ų104.259%0.58856%0.563SS**Hα-helixtrans-55.3-31.8176.1-55.5-28.5000114P170 W175 K176P170-D172 PolarHBondContact O-N 3.2Å; D172-W175 PolarHBondContact O-N 3.13Å; D172-K176 WeakPolarHBondContact O-CG 3.29Å; D172-K176 PolarHBondContact O-N 2.92Å
173Q60.4Low52.1Low75 Ų75102.6 Ų102.635%0.3556%0.562SS.*Hα-helixtrans-74-40176.1-171.760.125.900111.7Y169 P170 M171 W175 K176 E177Y169-Q173 HydrophobicContact CD1-CB 4.28Å; Y169-Q173 HydrophobicContact CD1-CG 4.23Å; Y169-Q173 HydrophobicContact CE1-CB 4.3Å; Y169-Q173 HydrophobicContact CE1-CG 3.76Å; P170-Q173 HydrophobicContact CG-CB 4.22Å; P170-Q173 WeakPolarHBondContact O-CB 3.48Å; P170-Q173 PolarHBondContact O-N 3.13Å; M171-Q173 PolarHBondContact O-N 3.23Å; Q173-W175 VanDerWaalsContact C-N 3.25Å; Q173-W175 PolarHBondContact O-N 2.95Å; Q173-K176 PolarHBondContact O-N 3.46Å; Q173-E177 WeakPolarHBondContact CG-OE1 3.37Å; Q173-E177 PolarHBondContact NE2-OE1 3.37Å; Q173-E177 WeakPolarHBondContact O-CB 3.34Å; Q173-E177 WeakPolarHBondContact O-CG 3.49Å; Q173-E177 PolarHBondContact O-N 3.02Å
174I62.2Low52.1Low26 Ų2699.5 Ų99.513%0.13356%0.558CS.*Hα-helixtrans-63.2-38.1172.9-56.7175.4000109.7Y169 M171 I178Y169-I174 HydrophobicContact CD1-CG1 4Å; M171-I174 WeakPolarHBondContact O-CB 3.42Å; M171-I174 PolarHBondContact O-N 3.36Å; M171-I174 HydrophobicContact SD-CD1 4.36Å; I174-I178 HydrophobicContact CG2-CD1 3.9Å; I174-I178 WeakPolarHBondContact O-CD1 3.49Å; I174-I178 VanDerWaalsContact O-CG1 3.27Å; I174-I178 WeakPolarHBondContact O-CG1 3.46Å; I174-I178 PolarHBondContact O-N 2.97Å
175W62.3Low51.9Low29 Ų29103.7 Ų103.711%0.1157%0.573CS.*Hα-helixtrans-64.7-48.4176.7-62.8125.4000112.2H78 N83 W85 W104 M171 D172 Q173 E177 I178 E179H78-W175 AromaticContact CE1-CH2 3.94Å; H78-W175 AromaticContact CE1-CZ3 3.3Å; H78-W175 WeakPolarHBondContact CE1-CZ3 2.88Å; H78-W175 AromaticContact NE2-CH2 3.42Å; H78-W175 WeakPolarHBondContact NE2-CH2 3.3Å; H78-W175 AromaticContact NE2-CZ3 3.28Å; H78-W175 VanDerWaalsContact NE2-CZ3 3.28Å; H78-W175 WeakPolarHBondContact NE2-CZ3 3.42Å; N83-W175 WeakPolarHBondContact ND2-CZ2 3.31Å; N83-W175 WeakPolarHBondContact OD1-CH2 3.28Å; N83-W175 VanDerWaalsContact OD1-CZ2 3.31Å; N83-W175 WeakPolarHBondContact OD1-CZ2 3.2Å; W85-W175 HydrophobicContact CH2-CH2 4.43Å; W85-W175 HydrophobicContact CZ2-CH2 4.41Å; W104-W175 AromaticContact CD1-CH2 3.42Å; W104-W175 VanDerWaalsContact CD1-CH2 3.42Å; W104-W175 HydrophobicContact CD2-CH2 4.48Å; W104-W175 AromaticContact CE2-CH2 3.58Å; W104-W175 AromaticContact CE2-CZ3 3.49Å; W104-W175 VanDerWaalsContact CE2-CZ3 3.49Å; W104-W175 HydrophobicContact CG-CH2 4.39Å; W104-W175 HydrophobicContact CZ2-CH2 4.14Å; W104-W175 AromaticContact CZ2-CZ3 3.56Å; W104-W175 HydrophobicContact CZ2-CZ3 3.56Å; W104-W175 AromaticContact NE1-CH2 2.83Å; W104-W175 AromaticContact NE1-CZ2 3.78Å; W104-W175 AromaticContact NE1-CZ3 3.09Å; M171-W175 HydrophobicContact CE-CZ2 3.82Å; M171-W175 VanDerWaalsContact O-CG 3.28Å; M171-W175 PolarHBondContact O-N 3.18Å; M171-W175 PolarHBondContact O-NE1 3.28Å; D172-W175 PolarHBondContact O-N 3.13Å; Q173-W175 VanDerWaalsContact C-N 3.25Å; Q173-W175 PolarHBondContact O-N 2.95Å; W175-E177 VanDerWaalsContact C-N 3.31Å; W175-E177 PolarHBondContact O-N 3.05Å; W175-I178 PolarHBondContact O-N 2.84Å; W175-E179 WeakPolarHBondContact O-CB 3.49Å; W175-E179 WeakPolarHBondContact O-CG 3.27Å; W175-E179 PolarHBondContact O-N 3.14Å
176K62.2Low51.6Low133 Ų133104.9 Ų104.958%0.57858%0.575SS**Hα-helixtrans-59.3-39.9176.7-77.7178.7-179.8-179.20112.7D172 Q173 I178 E179 A180D172-K176 WeakPolarHBondContact O-CG 3.29Å; D172-K176 PolarHBondContact O-N 2.92Å; Q173-K176 PolarHBondContact O-N 3.46Å; K176-I178 VanDerWaalsContact C-N 3.34Å; K176-E179 PolarHBondContact O-N 3.34Å; K176-A180 WeakPolarHBondContact O-CB 2.99Å; K176-A180 PolarHBondContact O-N 3Å
177E65.5Low51.3Low78 Ų78105 Ų10536%0.36458%0.578SS.*Hα-helixtrans-71.7-26.2179.5-72.9171.4-160.600113.3Q173 W175Q173-E177 WeakPolarHBondContact CG-OE1 3.37Å; Q173-E177 PolarHBondContact NE2-OE1 3.37Å; Q173-E177 WeakPolarHBondContact O-CB 3.34Å; Q173-E177 WeakPolarHBondContact O-CG 3.49Å; Q173-E177 PolarHBondContact O-N 3.02Å; W175-E177 VanDerWaalsContact C-N 3.31Å; W175-E177 PolarHBondContact O-N 3.05Å
178I59.4Low50.7Low56 Ų56101.4 Ų101.429%0.28757%0.567SS.*Hα-helixtrans-82.2-36.4174.6-66.7168000111.2M108 I174 W175 K176M108-I178 HydrophobicContact CB-CD1 4.39Å; M108-I178 HydrophobicContact CG-CD1 4.47Å; M108-I178 HydrophobicContact SD-CD1 4.44Å; I174-I178 HydrophobicContact CG2-CD1 3.9Å; I174-I178 WeakPolarHBondContact O-CD1 3.49Å; I174-I178 VanDerWaalsContact O-CG1 3.27Å; I174-I178 WeakPolarHBondContact O-CG1 3.46Å; I174-I178 PolarHBondContact O-N 2.97Å; W175-I178 PolarHBondContact O-N 2.84Å; K176-I178 VanDerWaalsContact C-N 3.34Å
179E60.8Low50.2Low149 Ų149106 Ų10670%0.69658%0.575SS**Hα-helixtrans-78.3-14-178.6-74.2176.317900114.2W175 K176 P181W175-E179 WeakPolarHBondContact O-CB 3.49Å; W175-E179 WeakPolarHBondContact O-CG 3.27Å; W175-E179 PolarHBondContact O-N 3.14Å; K176-E179 PolarHBondContact O-N 3.34Å; E179-P181 WeakPolarHBondContact O-CD 3.49Å
180A55.1Low49.5Very low68 Ų68105 Ų10556%0.56259%0.593SS**  trans-115.882.4177.400000112K176 H182K176-A180 WeakPolarHBondContact O-CB 2.99Å; K176-A180 PolarHBondContact O-N 3Å; A180-H182 PolarHBondContact O-N 3.19Å; A180-H182 VanDerWaalsContact O-N 3.09Å
181P43.2Very low48.3Very low97 Ų97110.6 Ų110.663%0.6361%0.612SS**  trans-76.19.4-174.7-10.127000115.4E179E179-P181 WeakPolarHBondContact O-CD 3.49Å
182H44.7Very low47.1Very low171 Ų171111 Ų11179%0.79264%0.635SS**  trans-143.192.9-169-62.6-63.8000113.8A180A180-H182 PolarHBondContact O-N 3.19Å; A180-H182 VanDerWaalsContact O-N 3.09Å
183A35.2Very low46Very low95 Ų95116 Ų11679%0.78565%0.652SS**  trans-138.4105.414300000106.7N185A183-N185 PolarHBondContact O-N 3.17Å
184P40.3Very low44.9Very low118 Ų118121 Ų12177%0.76668%0.675SS**  trans-75.3108.9-176.729.1-29.3000108.9L186P184-L186 PolarHBondContact O-N 3.37Å
185N36.5Very low44.1Very low178 Ų178130 Ų13095%0.95271%0.713SS**  trans-74.9110.3154.8-89.9-28.7000107.4A183 L187A183-N185 PolarHBondContact O-N 3.17Å; N185-L187 PolarHBondContact O-N 3.05Å
186L33.6Very low42.7Very low144 Ų144134.8 Ų134.875%0.75475%0.746SS**  trans-80.5103.4-167.1-155.6-176.3000109P184P184-L186 PolarHBondContact O-N 3.37Å
187L35.1Very low41.4Very low168 Ų168133.7 Ų133.788%0.8875%0.753SS**  trans-144.9107.5155.1-75-176.9000109.4N185 I189N185-L187 PolarHBondContact O-N 3.05Å; L187-I189 PolarHBondContact O-N 3.19Å
188S32.1Very low40.2Very low103 Ų103135 Ų13572%0.7277%0.771SS**  trans-46.3124.6170.3-720000111.5
189I32.5Very low39.4Very low157 Ų157137.3 Ų137.381%0.80579%0.793SS**  56.5104.776.3-56.5175.7000112.8L187L187-I189 PolarHBondContact O-N 3.19Å
190A36.7Very low39Very low103 Ų103136 Ų13685%0.85180%0.8SS**  trans-125.2108143.100000109
191E34.1Very low38.2Very low193 Ų193137.9 Ų137.990%0.90281%0.806SS**  trans1.7136.6155.5-62.5-179.5111.300121.3
192G34.7Very low37.9Very low81 Ų81139.6 Ų139.684%0.83582%0.819SS**  trans-178.865.7163.800000117.7
193K39.6Very low37.6Very low215 Ų215139.8 Ų139.894%0.93582%0.82SS**  trans23129.5156-92.9166.1174.8157.20123.2
194E36.6Very low38.1Very low178 Ų178143.4 Ų143.483%0.83283%0.825SS**  trans-63.8157172.7-52.3170.113200115.5
195K45.8Very low38.2Very low215 Ų215143.3 Ų143.394%0.93583%0.825SS**  trans-167.4145.2137.5-100.1161.2-163.6-171.50112.7
196T32.5Very low38.5Very low131 Ų131140.5 Ų140.580%0.80482%0.819SS**  trans-103.1168.8-153-56.40000114.4
197C36.1Very low39.4Very low109 Ų109139.7 Ų139.774%0.73682%0.823SS**  trans106109.3157.1-85.30000117.1
198S39.5Very low40.1Very low105 Ų105138.4 Ų138.473%0.73482%0.821SS**  70.7123.581.9-54.20000111.3
199S43.2Very low40.8Very low106 Ų106140.7 Ų140.774%0.74182%0.822SS**  cis-170.4151.629.4-34.10000112.2
200S52.7Low41.6Very low121 Ų121138.5 Ų138.585%0.84680%0.804SS**  trans76.6151.9134.4-70.30000124.1
201P38Very low41.8Very low108 Ų108141.4 Ų141.470%0.70181%0.805SS**  trans-120.4165.2-13739.4-25.6000116.3
202C36.7Very low42.5Very low133 Ų133140.4 Ų140.490%0.89979%0.794SS**  trans-109.1132.3177.3-52.80000112.1
203H37.5Very low43.2Very low175 Ų175146 Ų14681%0.8180%0.796SS**  trans-79.6146178.3-70.8-100000112.2
204L47.3Very low43.4Very low170 Ų170138.1 Ų138.189%0.8977%0.767SS**  trans-132.1146.1157.6-79.9172.7000109.9
205P42.5Very low44.3Very low117 Ų117134.2 Ų134.276%0.7676%0.757SS**PPolyproline II helixtrans-84.1145.9-160.632.3-32.9000113.6
206S41.7Very low44.3Very low118 Ų118132.8 Ų132.883%0.82575%0.754SS**PPolyproline II helixtrans-78132168.2-80.70000111.4
207P52.9Low45.1Very low128 Ų128131.5 Ų131.583%0.83174%0.741SS**PPolyproline II helixtrans-76.3158.9167.1-15.531.3000113.4
208V49.2Very low45.1Very low141 Ų141134.3 Ų134.386%0.85574%0.741SS**PPolyproline II helixtrans-84.5154.3-152.8-176.80000113.8
209M46.3Very low45.3Very low151 Ų151138.6 Ų138.674%0.74474%0.741SS**PPolyproline II helixtrans-50.3142.4174.5-73.8-88.7-74.200114.4D211M209-D211 PolarHBondContact O-N 3.49Å
210W49.8Very low45.3Very low110 Ų110141.9 Ų141.942%0.41774%0.742SS.*  trans-82.299.4174.747.2-85.3000110.7Y212W210-Y212 VanDerWaalsContact C-N 3.33Å; W210-Y212 HydrophobicContact CB-CD2 3.73Å; W210-Y212 HydrophobicContact CB-CE2 3.88Å; W210-Y212 HydrophobicContact CE3-CD2 4.39Å; W210-Y212 PolarHBondContact O-N 2.98Å
211D40.2Very low45.1Very low165 Ų165144.3 Ų144.388%0.88274%0.742SS**  trans-81.181.6161.8-91.4-52.1000109.2M209M209-D211 PolarHBondContact O-N 3.49Å
212Y50.3Low45.4Very low171 Ų171142.4 Ų142.467%0.67174%0.743SS**  trans-94.9108.6166.3-74.2-70.4000110R26 W210 C214R26-Y212 PolarHBondContact NH1-O 3.39Å; W210-Y212 VanDerWaalsContact C-N 3.33Å; W210-Y212 HydrophobicContact CB-CD2 3.73Å; W210-Y212 HydrophobicContact CB-CE2 3.88Å; W210-Y212 HydrophobicContact CE3-CD2 4.39Å; W210-Y212 PolarHBondContact O-N 2.98Å; Y212-C214 PolarHBondContact O-N 2.95Å
213K48.7Very low45.8Very low200 Ų200143.8 Ų143.887%0.8774%0.741SS**  trans-69110.7168.6-165.1175.8-173.4-177.50107.8P215K213-P215 VanDerWaalsContact O-CD 3.31Å; K213-P215 WeakPolarHBondContact O-CD 3.36Å
214C44.9Very low46.3Very low48 Ų48142.8 Ų142.832%0.32474%0.736SS.*  trans-64.9120.7174.5-168.60000107.8C23 Y212 E216C23-C214 HydrophobicContact CB-CB 4.35Å; C23-C214 WeakPolarHBondContact CB-SG 3.47Å; C23-C214 WeakPolarHBondContact SG-CB 3.39Å; C23-C214 CovalentContact SG-SG 2.05Å; C23-C214 PolarHBondContact SG-SG 3.42Å; Y212-C214 PolarHBondContact O-N 2.95Å; C214-E216 PolarHBondContact O-N 2.96Å
215P54.5Low46.1Very low97 Ų97142.4 Ų142.463%0.6373%0.73SS**  trans-60.6137.5171.8-1831000108.7K213 I217K213-P215 VanDerWaalsContact O-CD 3.31Å; K213-P215 WeakPolarHBondContact O-CD 3.36Å; P215-I217 VanDerWaalsContact C-N 3.31Å; P215-I217 PolarHBondContact O-N 3.45Å
216E45.1Very low46.2Very low185 Ų185145.2 Ų145.286%0.86474%0.737SS**  trans-57.793.2170.8-79.2-110.3149.900109.3C214 F218C214-E216 PolarHBondContact O-N 2.96Å; E216-F218 PolarHBondContact O-N 3.23Å; E216-F218 VanDerWaalsContact O-N 3.17Å
217I50.2Low46.7Very low103 Ų103147.2 Ų147.253%0.52874%0.735SS.*  trans-82.593.4169.3-59.2175.2000106P215 W219P215-I217 VanDerWaalsContact C-N 3.31Å; P215-I217 PolarHBondContact O-N 3.45Å; I217-W219 VanDerWaalsContact C-N 3.35Å; I217-W219 HydrophobicContact CG2-CD2 3.89Å; I217-W219 VanDerWaalsContact CG2-CE2 3.4Å; I217-W219 HydrophobicContact CG2-CG 4.27Å; I217-W219 HydrophobicContact CG2-CH2 4.32Å; I217-W219 HydrophobicContact CG2-CZ2 3.66Å; I217-W219 PolarHBondContact O-N 3.48Å
218F35.5Very low46.3Very low169 Ų169153.4 Ų153.474%0.74176%0.756SS**  trans-68.590.4172.1-171-94.9000108.9E216 K220E216-F218 PolarHBondContact O-N 3.23Å; E216-F218 VanDerWaalsContact O-N 3.17Å; F218-K220 HydrophobicContact CD1-CB 4.45Å; F218-K220 HydrophobicContact CE1-CB 4.35Å; F218-K220 HydrophobicContact CE1-CG 4.48Å; F218-K220 PolarHBondContact O-N 2.99Å; F218-K220 VanDerWaalsContact O-N 3.09Å
219W43.8Very low46.2Very low194 Ų194154 Ų15474%0.73575%0.751SS**  trans-71.9103.2169.9-66.2109.6000108.8I217 M221I217-W219 VanDerWaalsContact C-N 3.35Å; I217-W219 HydrophobicContact CG2-CD2 3.89Å; I217-W219 VanDerWaalsContact CG2-CE2 3.4Å; I217-W219 HydrophobicContact CG2-CG 4.27Å; I217-W219 HydrophobicContact CG2-CH2 4.32Å; I217-W219 HydrophobicContact CG2-CZ2 3.66Å; I217-W219 PolarHBondContact O-N 3.48Å; W219-M221 PolarHBondContact O-N 3.45Å; W219-M221 VanDerWaalsContact O-N 3.12Å
220K44.4Very low46.2Very low176 Ų176154.2 Ų154.277%0.76575%0.752SS**  trans-71.598.5166.9-159.9175-177.3-1790107.1F218 G222F218-K220 HydrophobicContact CD1-CB 4.45Å; F218-K220 HydrophobicContact CE1-CB 4.35Å; F218-K220 HydrophobicContact CE1-CG 4.48Å; F218-K220 PolarHBondContact O-N 2.99Å; F218-K220 VanDerWaalsContact O-N 3.09Å; K220-G222 PolarHBondContact O-N 3.09Å
221M47.9Very low46Very low171 Ų171156.6 Ų156.684%0.84277%0.77SS**  trans-53.8119.9161.9-82.5-85.5-159.300106.7W219 D223W219-M221 PolarHBondContact O-N 3.45Å; W219-M221 VanDerWaalsContact O-N 3.12Å; M221-D223 PolarHBondContact O-N 3.18Å
222G43.2Very low46.3Very low69 Ų69156.1 Ų156.171%0.71176%0.764SS**  trans-67.6117.2174.400000108.9K220 Q224K220-G222 PolarHBondContact O-N 3.09Å; G222-Q224 PolarHBondContact O-N 3.28Å
223D45.4Very low46.1Very low161 Ų161155.2 Ų155.286%0.86177%0.769SS**  trans-61.8100.4165.6-61.9-40000108.1M221M221-D223 PolarHBondContact O-N 3.18Å
224Q48.4Very low45.9Very low154 Ų154152.2 Ų152.272%0.7276%0.763SS**  trans-101.898.4159.8-87.7-1806.900108.4G222G222-Q224 PolarHBondContact O-N 3.28Å
225E44Very low46Very low163 Ų163159.6 Ų159.676%0.76279%0.794SS**  67.477.5126-152.9167.5-168.200116M227E225-M227 HydrophobicContact CG-CB 4.49Å
226I44Very low45.3Very low176 Ų176164.5 Ų164.590%0.90381%0.807SS**  trans-97.395.3141-61.5178.6000105.8
227M52.9Low45.3Very low160 Ų160162.8 Ų162.879%0.78880%0.802SS**  trans-126.3105165-155.4-177.8-7900107.6E225E225-M227 HydrophobicContact CG-CB 4.49Å
228M44.5Very low44.9Very low257 Ų257168.2 Ų168.2100%1.26683%0.827SS**  trans730176.1-64.9-178.1-17500118.6

Retrieved 228 of 228 residues in 46.4 ms (Link to these results)

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