A0A096NKV5_PAPAN Loading...

Glucosaminyl (N-acetyl) transferase 2 (I blood group)

AlphaFold DB , UniProt , Accession A0A096NKV5, Species PAPAN (Papio anubis, Olive baboon), Gene GCNT2, Length 402 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
1M47.1Very low53.6Low240 Ų240138 Ų138100%1.18271%0.709SS**  083.20-76.2164.659.300109.7
2M48.9Very low54.9Low187 Ų187129.8 Ų129.892%0.92168%0.684SS**  trans-15017.5179.9-109.9156.879.100113.9
3G48.4Very low56Low56 Ų56126.2 Ų126.258%0.57768%0.675SS**SBendtrans-98.2-15.9178.200000115.1
4S54.6Low57.4Low95 Ų95125.1 Ų125.166%0.66467%0.669SS**Hα-helixtrans-84.7-28.7-171.4-163.70000113.6C8S4-C8 PolarHBondContact O-N 3.38Å
5W51.7Low58.6Low208 Ų208123.3 Ų123.379%0.78866%0.658SS**Hα-helixtrans-79.2-31.9-168.6-150.211.1000114.1C8 L9W5-C8 PolarHBondContact O-N 2.84Å; W5-L9 PolarHBondContact O-N 2.87Å
6K50.6Low59.6Low167 Ų167119.6 Ų119.673%0.72664%0.644SS**Hα-helixtrans-70.5-33.4177.9-72-172.6176.2-176.10112.7F10K6-F10 PolarHBondContact O-N 2.69Å
7H53.9Low60.6Low147 Ų147115.5 Ų115.568%0.68163%0.631SS**Hα-helixtrans-71.5-36.1175.2-74.5-57.4000112.3S11H7-S11 WeakPolarHBondContact O-CB 3.25Å; H7-S11 PolarHBondContact O-N 2.94Å; H7-S11 PolarHBondContact O-OG 2.77Å
8C57Low61.5Low75 Ų75115 Ų11551%0.50763%0.627SS.*Hα-helixtrans-66.1-38.8174.4-72.20000113.3S4 W5 S11 G12S4-C8 PolarHBondContact O-N 3.38Å; W5-C8 PolarHBondContact O-N 2.84Å; C8-S11 WeakPolarHBondContact CA-OG 3.18Å; C8-S11 PolarHBondContact O-OG 2.81Å; C8-G12 PolarHBondContact O-N 3.36Å
9L57.1Low62.4Low119 Ų119114 Ų11462%0.62362%0.62SS**Hα-helixtrans-68.2-40.5177.4-76.9163.3000112.3W5 S13W5-L9 PolarHBondContact O-N 2.87Å; L9-S13 PolarHBondContact O-N 3.41Å; L9-S13 VanDerWaalsContact O-N 3.11Å
10F57.4Low62.9Low169 Ų169115.8 Ų115.874%0.74162%0.622SS**Hα-helixtrans-68.4-41.2176.8-120.8-88.3000112.4K6 L14K6-F10 PolarHBondContact O-N 2.69Å; F10-L14 WeakPolarHBondContact O-CB 3.47Å; F10-L14 PolarHBondContact O-N 3.41Å
11S63Low63.4Low55 Ų55114.1 Ų114.139%0.38562%0.615SS.*Hα-helixtrans-70.4-36.5177.443.40000112.4H7 C8 L14 I15H7-S11 WeakPolarHBondContact O-CB 3.25Å; H7-S11 PolarHBondContact O-N 2.94Å; H7-S11 PolarHBondContact O-OG 2.77Å; C8-S11 WeakPolarHBondContact CA-OG 3.18Å; C8-S11 PolarHBondContact O-OG 2.81Å; S11-L14 PolarHBondContact O-N 2.93Å; S11-I15 WeakPolarHBondContact O-CB 3.43Å; S11-I15 WeakPolarHBondContact O-CD1 3.36Å; S11-I15 WeakPolarHBondContact O-CG1 3.29Å; S11-I15 PolarHBondContact O-N 3.41Å
12G68.8Low64.7Low40 Ų40109.8 Ų109.841%0.41259%0.59SS.*Hα-helixtrans-62.3-43.4172.500000113.4C8 I15 S16C8-G12 PolarHBondContact O-N 3.36Å; G12-I15 PolarHBondContact O-N 3.25Å; G12-S16 WeakPolarHBondContact O-CB 3.45Å; G12-S16 PolarHBondContact O-N 3.49Å
13S69.9Low65.6Low82 Ų82104.2 Ų104.257%0.57357%0.567SS**Hα-helixtrans-66.2-37.5175.9-174.90000112.6L9 A17L9-S13 PolarHBondContact O-N 3.41Å; L9-S13 VanDerWaalsContact O-N 3.11Å; S13-A17 WeakPolarHBondContact O-CB 3.48Å; S13-A17 PolarHBondContact O-N 3.21Å
14L75Confident66.4Low111 Ų111108.5 Ų108.558%0.58157%0.566SS**Hα-helixtrans-67.9-42.3178-165.681.4000111.4F10 S11 A17 L18F10-L14 WeakPolarHBondContact O-CB 3.47Å; F10-L14 PolarHBondContact O-N 3.41Å; S11-L14 PolarHBondContact O-N 2.93Å; L14-A17 PolarHBondContact O-N 3.36Å; L14-L18 HydrophobicContact CD2-CD1 4.5Å; L14-L18 HydrophobicContact CG-CD1 4.25Å; L14-L18 WeakPolarHBondContact O-CB 3.4Å; L14-L18 VanDerWaalsContact O-CG 3.27Å; L14-L18 WeakPolarHBondContact O-CG 3.41Å; L14-L18 PolarHBondContact O-N 3.26Å
15I75.9Confident66.3Low99 Ų99108.2 Ų108.251%0.50856%0.558SS.*Hα-helixtrans-64.6-43.3177.1-68.6164.9000110.4S11 G12 A17 L18 I19S11-I15 WeakPolarHBondContact O-CB 3.43Å; S11-I15 WeakPolarHBondContact O-CD1 3.36Å; S11-I15 WeakPolarHBondContact O-CG1 3.29Å; S11-I15 PolarHBondContact O-N 3.41Å; G12-I15 PolarHBondContact O-N 3.25Å; I15-A17 PolarHBondContact O-N 3.46Å; I15-L18 PolarHBondContact O-N 2.75Å; I15-I19 HydrophobicContact CG2-CD1 3.75Å; I15-I19 HydrophobicContact CG2-CG1 4.38Å; I15-I19 VanDerWaalsContact O-CG1 3.26Å; I15-I19 WeakPolarHBondContact O-CG1 3.31Å; I15-I19 PolarHBondContact O-N 3.04Å
16S73.8Confident66.4Low63 Ų63100.7 Ų100.744%0.44154%0.535SS..Hα-helixtrans-60.9-44.2175.9175.90000112.3G12 I19 F20G12-S16 WeakPolarHBondContact O-CB 3.45Å; G12-S16 PolarHBondContact O-N 3.49Å; S16-I19 PolarHBondContact O-N 3.2Å; S16-F20 PolarHBondContact O-N 3.29Å
17A76.3Confident66.2Low50 Ų5098.1 Ų98.141%0.41353%0.525SS..Hα-helixtrans-64.3-40.7176.500000112.1S13 L14 I15 F20 V21S13-A17 WeakPolarHBondContact O-CB 3.48Å; S13-A17 PolarHBondContact O-N 3.21Å; L14-A17 PolarHBondContact O-N 3.36Å; I15-A17 PolarHBondContact O-N 3.46Å; A17-F20 PolarHBondContact O-N 3.16Å; A17-V21 WeakPolarHBondContact O-CB 3.16Å; A17-V21 VanDerWaalsContact O-CG2 3.23Å; A17-V21 WeakPolarHBondContact O-CG2 3.25Å; A17-V21 PolarHBondContact O-N 3.36Å
18L78.1Confident65.7Low107 Ų10793.9 Ų93.956%0.5651%0.507SS*.Hα-helixtrans-66.6-38.2176.6-73.5169.2000112.3L14 I15 V21 F22L14-L18 HydrophobicContact CD2-CD1 4.5Å; L14-L18 HydrophobicContact CG-CD1 4.25Å; L14-L18 WeakPolarHBondContact O-CB 3.4Å; L14-L18 VanDerWaalsContact O-CG 3.27Å; L14-L18 WeakPolarHBondContact O-CG 3.41Å; L14-L18 PolarHBondContact O-N 3.26Å; I15-L18 PolarHBondContact O-N 2.75Å; L18-V21 PolarHBondContact O-N 3.32Å; L18-F22 WeakPolarHBondContact O-CB 3.27Å; L18-F22 PolarHBondContact O-N 3.18Å
19I77.8Confident64.7Low96 Ų9699.3 Ų99.349%0.49252%0.517SS..Hα-helixtrans-64.1-46173.2-69166.2000110I15 S16 V21 F22 V23I15-I19 HydrophobicContact CG2-CD1 3.75Å; I15-I19 HydrophobicContact CG2-CG1 4.38Å; I15-I19 VanDerWaalsContact O-CG1 3.26Å; I15-I19 WeakPolarHBondContact O-CG1 3.31Å; I15-I19 PolarHBondContact O-N 3.04Å; S16-I19 PolarHBondContact O-N 3.2Å; I19-V21 PolarHBondContact O-N 3.1Å; I19-F22 PolarHBondContact O-N 2.99Å; I19-V23 HydrophobicContact CG2-CG2 4.17Å; I19-V23 WeakPolarHBondContact O-CB 3.26Å; I19-V23 VanDerWaalsContact O-CG2 3.28Å; I19-V23 WeakPolarHBondContact O-CG2 3.2Å; I19-V23 PolarHBondContact O-N 3.21Å
20F72.6Confident64.2Low150 Ų150100 Ų10066%0.65852%0.517SS*.Hα-helixtrans-60.4-45.3176.9-107.2-81000112.3S16 A17 F22 Y24S16-F20 PolarHBondContact O-N 3.29Å; A17-F20 PolarHBondContact O-N 3.16Å; F20-F22 VanDerWaalsContact C-N 3.32Å; F20-F22 PolarHBondContact O-N 2.67Å; F20-Y24 WeakPolarHBondContact O-CB 3.34Å; F20-Y24 PolarHBondContact O-N 3.28Å
21V74.3Confident63.5Low81 Ų8196.8 Ų96.849%0.49151%0.507SS..Hα-helixtrans-64.6-38.9176.8170.30000110.9A17 L18 I19 N25A17-V21 WeakPolarHBondContact O-CB 3.16Å; A17-V21 VanDerWaalsContact O-CG2 3.23Å; A17-V21 WeakPolarHBondContact O-CG2 3.25Å; A17-V21 PolarHBondContact O-N 3.36Å; L18-V21 PolarHBondContact O-N 3.32Å; I19-V21 PolarHBondContact O-N 3.1Å; V21-N25 VanDerWaalsContact CG1-ND2 3.32Å; V21-N25 WeakPolarHBondContact CG1-ND2 3.31Å; V21-N25 VanDerWaalsContact O-CB 3.23Å; V21-N25 WeakPolarHBondContact O-CB 3.24Å; V21-N25 PolarHBondContact O-N 2.91Å; V21-N25 PolarHBondContact O-ND2 3.36Å
22F73.9Confident62.3Low149 Ų149101 Ų10165%0.65452%0.519SS*.Hα-helixtrans-66.4-52.1176.9-175.9-97.1000111L18 I19 F20 Y24 N25 T26L18-F22 WeakPolarHBondContact O-CB 3.27Å; L18-F22 PolarHBondContact O-N 3.18Å; I19-F22 PolarHBondContact O-N 2.99Å; F20-F22 VanDerWaalsContact C-N 3.32Å; F20-F22 PolarHBondContact O-N 2.67Å; F22-Y24 PolarHBondContact O-N 3.42Å; F22-N25 PolarHBondContact O-N 3.48Å; F22-T26 WeakPolarHBondContact O-CB 3.4Å; F22-T26 PolarHBondContact O-N 3.45Å; F22-T26 PolarHBondContact O-OG1 3.38Å
23V67.4Low61Low70 Ų70108.1 Ų108.142%0.42453%0.534SS..Hα-helixtrans-57.6-48.8177.9172.20000110.7I19 N25 T26 E27I19-V23 HydrophobicContact CG2-CG2 4.17Å; I19-V23 WeakPolarHBondContact O-CB 3.26Å; I19-V23 VanDerWaalsContact O-CG2 3.28Å; I19-V23 WeakPolarHBondContact O-CG2 3.2Å; I19-V23 PolarHBondContact O-N 3.21Å; V23-N25 PolarHBondContact O-N 3.46Å; V23-T26 WeakPolarHBondContact O-CB 3.37Å; V23-T26 PolarHBondContact O-N 2.87Å; V23-T26 VanDerWaalsContact O-N 3.1Å; V23-E27 PolarHBondContact O-N 3.05Å
24Y65.3Low60Low145 Ų145111 Ų11157%0.56954%0.536SS*.Hα-helixtrans-62.4-41.9178.8-176-107.6000112.7F20 F22 T26 L28F20-Y24 WeakPolarHBondContact O-CB 3.34Å; F20-Y24 PolarHBondContact O-N 3.28Å; F22-Y24 PolarHBondContact O-N 3.42Å; Y24-T26 VanDerWaalsContact C-N 3.31Å; Y24-T26 PolarHBondContact O-N 3.32Å; Y24-L28 HydrophobicContact CD1-CD1 3.59Å; Y24-L28 HydrophobicContact CE1-CD1 3.16Å; Y24-L28 HydrophobicContact CE1-CG 4.27Å; Y24-L28 HydrophobicContact CE2-CD1 4.3Å; Y24-L28 HydrophobicContact CG-CD1 4.32Å; Y24-L28 VanDerWaalsContact O-CB 3.32Å; Y24-L28 WeakPolarHBondContact O-CB 3.45Å; Y24-L28 PolarHBondContact O-N 3.15Å
25N52Low58.7Low90 Ų90111 Ų11148%0.48154%0.536SS..Hα-helixtrans-68-31.6174.7-82.6-58000112.6V21 F22 V23 W29V21-N25 VanDerWaalsContact CG1-ND2 3.32Å; V21-N25 WeakPolarHBondContact CG1-ND2 3.31Å; V21-N25 VanDerWaalsContact O-CB 3.23Å; V21-N25 WeakPolarHBondContact O-CB 3.24Å; V21-N25 PolarHBondContact O-N 2.91Å; V21-N25 PolarHBondContact O-ND2 3.36Å; F22-N25 PolarHBondContact O-N 3.48Å; V23-N25 PolarHBondContact O-N 3.46Å; N25-W29 VanDerWaalsContact O-CB 3.26Å; N25-W29 WeakPolarHBondContact O-CB 3.25Å; N25-W29 PolarHBondContact O-N 3.08Å
26T53.6Low56.7Low50 Ų50115.6 Ų115.631%0.30755%0.547SS..Hα-helixtrans-69.8-47.2177.5-44.50000110F22 V23 Y24 L28 W29 E30F22-T26 WeakPolarHBondContact O-CB 3.4Å; F22-T26 PolarHBondContact O-N 3.45Å; F22-T26 PolarHBondContact O-OG1 3.38Å; V23-T26 WeakPolarHBondContact O-CB 3.37Å; V23-T26 PolarHBondContact O-N 2.87Å; V23-T26 VanDerWaalsContact O-N 3.1Å; Y24-T26 VanDerWaalsContact C-N 3.31Å; Y24-T26 PolarHBondContact O-N 3.32Å; T26-L28 PolarHBondContact O-N 2.63Å; T26-W29 PolarHBondContact O-N 3.25Å; T26-E30 PolarHBondContact O-N 3.19Å
27E46.7Very low55.6Low113 Ų113115 Ų11553%0.52855%0.545SS..Hα-helixtrans-61.8-42.1173.7-74.4-167.9171.600112.5V23 W29 E30 N31V23-E27 PolarHBondContact O-N 3.05Å; E27-W29 VanDerWaalsContact C-N 3.31Å; E27-W29 PolarHBondContact O-N 3.25Å; E27-E30 PolarHBondContact O-N 3.17Å; E27-N31 WeakPolarHBondContact O-CB 3.34Å; E27-N31 PolarHBondContact O-N 3.43Å; E27-N31 PolarHBondContact O-ND2 2.77Å
28L44.8Very low54.6Low57 Ų57114.1 Ų114.130%0.29854%0.538SS..Hα-helixtrans-62.3-37.9174.2-92.5164.6000112.4Y24 T26 K32Y24-L28 HydrophobicContact CD1-CD1 3.59Å; Y24-L28 HydrophobicContact CE1-CD1 3.16Å; Y24-L28 HydrophobicContact CE1-CG 4.27Å; Y24-L28 HydrophobicContact CE2-CD1 4.3Å; Y24-L28 HydrophobicContact CG-CD1 4.32Å; Y24-L28 VanDerWaalsContact O-CB 3.32Å; Y24-L28 WeakPolarHBondContact O-CB 3.45Å; Y24-L28 PolarHBondContact O-N 3.15Å; T26-L28 PolarHBondContact O-N 2.63Å; L28-K32 WeakPolarHBondContact O-CB 3.31Å; L28-K32 VanDerWaalsContact O-CG 3.29Å; L28-K32 WeakPolarHBondContact O-CG 3.34Å; L28-K32 PolarHBondContact O-N 3.16Å
29W35.8Very low53.5Low189 Ų189114.1 Ų114.172%0.71654%0.538SS*.Hα-helixtrans-70.1-45.5177.3-173.30.2000110.9N25 T26 E27 N31 K32 R33N25-W29 VanDerWaalsContact O-CB 3.26Å; N25-W29 WeakPolarHBondContact O-CB 3.25Å; N25-W29 PolarHBondContact O-N 3.08Å; T26-W29 PolarHBondContact O-N 3.25Å; E27-W29 VanDerWaalsContact C-N 3.31Å; E27-W29 PolarHBondContact O-N 3.25Å; W29-N31 VanDerWaalsContact C-N 3.35Å; W29-N31 PolarHBondContact O-N 2.63Å; W29-K32 PolarHBondContact O-N 3.1Å; W29-R33 WeakPolarHBondContact O-CB 3.35Å; W29-R33 PolarHBondContact O-N 3.35Å
30E45.2Very low52.6Low134 Ų134113 Ų11363%0.62654%0.539SS*.Hα-helixtrans-59.4-45.1175.2-72.8-162.315700111.8T26 E27 K32 R33 F34T26-E30 PolarHBondContact O-N 3.19Å; E27-E30 PolarHBondContact O-N 3.17Å; E30-K32 PolarHBondContact O-N 3.11Å; E30-R33 PolarHBondContact O-N 2.91Å; E30-F34 WeakPolarHBondContact O-CB 3.37Å; E30-F34 PolarHBondContact O-N 2.92Å
31N42.8Very low52.3Low101 Ų101109.4 Ų109.454%0.5453%0.527SS..Hα-helixtrans-59.3-44.7174.5-82.9-39.5000112.4E27 W29 R33 F34 L35E27-N31 WeakPolarHBondContact O-CB 3.34Å; E27-N31 PolarHBondContact O-N 3.43Å; E27-N31 PolarHBondContact O-ND2 2.77Å; W29-N31 VanDerWaalsContact C-N 3.35Å; W29-N31 PolarHBondContact O-N 2.63Å; N31-R33 PolarHBondContact O-N 3.28Å; N31-F34 PolarHBondContact O-N 2.84Å; N31-L35 WeakPolarHBondContact O-CB 3.48Å; N31-L35 PolarHBondContact O-N 3.25Å
32K38Very low52.2Low145 Ų145106.3 Ų106.363%0.6351%0.51SS*.Hα-helixtrans-64-38.1176.5-78.3175.5-178177.20112.7L28 W29 E30 R36L28-K32 WeakPolarHBondContact O-CB 3.31Å; L28-K32 VanDerWaalsContact O-CG 3.29Å; L28-K32 WeakPolarHBondContact O-CG 3.34Å; L28-K32 PolarHBondContact O-N 3.16Å; W29-K32 PolarHBondContact O-N 3.1Å; E30-K32 PolarHBondContact O-N 3.11Å; K32-R36 WeakPolarHBondContact O-CB 3.44Å; K32-R36 PolarHBondContact O-N 3.48Å
33R41.2Very low52.1Low189 Ų189103.2 Ų103.271%0.71351%0.507SS*.Hα-helixtrans-70.7-41.7179-177.7178.7143.9-171.7-8.3111.1W29 E30 N31 R36 A37W29-R33 WeakPolarHBondContact O-CB 3.35Å; W29-R33 PolarHBondContact O-N 3.35Å; E30-R33 PolarHBondContact O-N 2.91Å; N31-R33 PolarHBondContact O-N 3.28Å; R33-R36 PolarHBondContact O-N 3.32Å; R33-A37 WeakPolarHBondContact O-CB 3.48Å; R33-A37 PolarHBondContact O-N 3.32Å
34F49.1Very low52.7Low141 Ų141105.1 Ų105.162%0.61851%0.514SS*.Hα-helixtrans-60.5-49.5173.1-177.3-93.2000111.1E30 N31 R36 A37 A38E30-F34 WeakPolarHBondContact O-CB 3.37Å; E30-F34 PolarHBondContact O-N 2.92Å; N31-F34 PolarHBondContact O-N 2.84Å; F34-R36 VanDerWaalsContact C-N 3.33Å; F34-R36 PolarHBondContact O-N 3.34Å; F34-A37 PolarHBondContact O-N 2.67Å; F34-A37 VanDerWaalsContact O-N 3.14Å; F34-A38 WeakPolarHBondContact O-CB 3.43Å; F34-A38 PolarHBondContact O-N 2.94Å
35L47.8Very low53.5Low112 Ų11298.5 Ų98.559%0.58649%0.488SS*.Hα-helixtrans-58.9-42.9178-15689000111.9N31 A38 L39N31-L35 WeakPolarHBondContact O-CB 3.48Å; N31-L35 PolarHBondContact O-N 3.25Å; L35-A38 PolarHBondContact O-N 2.92Å; L35-L39 HydrophobicContact CD2-CD1 4.23Å; L35-L39 HydrophobicContact CG-CD1 4.2Å; L35-L39 WeakPolarHBondContact O-CB 3.36Å; L35-L39 WeakPolarHBondContact O-CD1 3.33Å; L35-L39 VanDerWaalsContact O-CG 3.22Å; L35-L39 WeakPolarHBondContact O-CG 3.25Å; L35-L39 PolarHBondContact O-N 2.88Å
36R34.4Very low55.1Low196 Ų19696 Ų9674%0.7448%0.481SS*.Hα-helixtrans-66.8-37.4177.3-173.7-179.5-89.3-177.1-6.5112.2K32 R33 F34 S40K32-R36 WeakPolarHBondContact O-CB 3.44Å; K32-R36 PolarHBondContact O-N 3.48Å; R33-R36 PolarHBondContact O-N 3.32Å; F34-R36 VanDerWaalsContact C-N 3.33Å; F34-R36 PolarHBondContact O-N 3.34Å; R36-S40 WeakPolarHBondContact O-CB 3.48Å; R36-S40 PolarHBondContact O-N 3.18Å
37A51.3Low56.5Low49 Ų4998.2 Ų98.241%0.40549%0.487SS..Hα-helixtrans-69.5-42.417600000111.6R33 F34 S40 N41R33-A37 WeakPolarHBondContact O-CB 3.48Å; R33-A37 PolarHBondContact O-N 3.32Å; F34-A37 PolarHBondContact O-N 2.67Å; F34-A37 VanDerWaalsContact O-N 3.14Å; A37-S40 PolarHBondContact O-N 3.37Å; A37-N41 WeakPolarHBondContact O-CB 3.49Å; A37-N41 VanDerWaalsContact O-CG 3.26Å; A37-N41 PolarHBondContact O-N 2.76Å
38A53.8Low58.3Low32 Ų3293.1 Ų93.126%0.26447%0.465SS..Hα-helixtrans-60.9-49.3174.800000111.6F34 L35 S40 N41 A42F34-A38 WeakPolarHBondContact O-CB 3.43Å; F34-A38 PolarHBondContact O-N 2.94Å; L35-A38 PolarHBondContact O-N 2.92Å; A38-S40 VanDerWaalsContact C-N 3.31Å; A38-S40 PolarHBondContact O-N 3Å; A38-N41 PolarHBondContact O-N 3.24Å; A38-N41 VanDerWaalsContact O-N 3.13Å; A38-A42 WeakPolarHBondContact O-CB 3.35Å; A38-A42 PolarHBondContact O-N 3.12Å
39L55.3Low60.3Low107 Ų10790.6 Ų90.656%0.5645%0.452SS*.Hα-helixtrans-60.5-38.1175.8-73.7164.9000112.6L35 S43L35-L39 HydrophobicContact CD2-CD1 4.23Å; L35-L39 HydrophobicContact CG-CD1 4.2Å; L35-L39 WeakPolarHBondContact O-CB 3.36Å; L35-L39 WeakPolarHBondContact O-CD1 3.33Å; L35-L39 VanDerWaalsContact O-CG 3.22Å; L35-L39 WeakPolarHBondContact O-CG 3.25Å; L35-L39 PolarHBondContact O-N 2.88Å; L39-S43 WeakPolarHBondContact O-CB 3.26Å; L39-S43 PolarHBondContact O-N 3Å
40S58.8Low62.7Low74 Ų7486.3 Ų86.352%0.51744%0.439SS..Hα-helixtrans-67-39.8174.9-173.90000112.1R36 A37 A38 L44R36-S40 WeakPolarHBondContact O-CB 3.48Å; R36-S40 PolarHBondContact O-N 3.18Å; A37-S40 PolarHBondContact O-N 3.37Å; A38-S40 VanDerWaalsContact C-N 3.31Å; A38-S40 PolarHBondContact O-N 3Å; S40-L44 WeakPolarHBondContact O-CB 3.4Å; S40-L44 PolarHBondContact O-N 3.4Å
41N67.9Low64.4Low73 Ų7382.2 Ų82.239%0.3942%0.42SS..Hα-helixtrans-70.3-39.8177.9-73.3-8.3000111.6A37 A38 L44 L45A37-N41 WeakPolarHBondContact O-CB 3.49Å; A37-N41 VanDerWaalsContact O-CG 3.26Å; A37-N41 PolarHBondContact O-N 2.76Å; A38-N41 PolarHBondContact O-N 3.24Å; A38-N41 VanDerWaalsContact O-N 3.13Å; N41-L44 PolarHBondContact O-N 2.99Å; N41-L45 VanDerWaalsContact O-CB 3.29Å; N41-L45 WeakPolarHBondContact O-CB 3.4Å; N41-L45 PolarHBondContact O-N 3.22Å
42A70.4Confident66.3Low17 Ų1778.1 Ų78.114%0.1440%0.398CS..Hα-helixtrans-63.8-44.5175.200000111.6A38 L44 L45 A46A38-A42 WeakPolarHBondContact O-CB 3.35Å; A38-A42 PolarHBondContact O-N 3.12Å; A42-L44 PolarHBondContact O-N 2.81Å; A42-L45 PolarHBondContact O-N 2.93Å; A42-A46 WeakPolarHBondContact O-CB 3.38Å; A42-A46 PolarHBondContact O-N 2.69Å
43S73.6Confident68.5Low84 Ų8474.1 Ų74.159%0.58738%0.381SS*.Hα-helixtrans-64.1-38.9175.1-177.40000112.6L39 E47L39-S43 WeakPolarHBondContact O-CB 3.26Å; L39-S43 PolarHBondContact O-N 3Å; S43-E47 PolarHBondContact O-N 2.93Å
44L78.7Confident70.3Confident110 Ų11070.6 Ų70.658%0.57637%0.372SS*.Hα-helixtrans-67.9-41.3176.3-17670.9000111.4S40 N41 A42 E47 A48S40-L44 WeakPolarHBondContact O-CB 3.4Å; S40-L44 PolarHBondContact O-N 3.4Å; N41-L44 PolarHBondContact O-N 2.99Å; A42-L44 PolarHBondContact O-N 2.81Å; L44-E47 PolarHBondContact O-N 3.46Å; L44-A48 WeakPolarHBondContact O-CB 3.44Å; L44-A48 PolarHBondContact O-N 2.7Å
45L82.9Confident71.2Confident5 Ų567 Ų673%0.02638%0.375CS..Hα-helixtrans-62.3-45.9176.1177.463.3000110.9N41 A42 E47 A48 C49 A64 L65 L375 E378 L382N41-L45 VanDerWaalsContact O-CB 3.29Å; N41-L45 WeakPolarHBondContact O-CB 3.4Å; N41-L45 PolarHBondContact O-N 3.22Å; A42-L45 PolarHBondContact O-N 2.93Å; L45-E47 VanDerWaalsContact C-N 3.31Å; L45-E47 PolarHBondContact O-N 3.37Å; L45-A48 PolarHBondContact O-N 3.18Å; L45-C49 WeakPolarHBondContact O-CB 3.46Å; L45-C49 PolarHBondContact O-N 2.73Å; L45-C49 PolarHBondContact O-SG 3.14Å; L45-A64 HydrophobicContact CB-CB 4.31Å; L45-A64 HydrophobicContact CD1-CB 4.46Å; L45-A64 HydrophobicContact CD2-CB 4.48Å; L45-L65 HydrophobicContact CD2-CD1 3.68Å; L45-L65 HydrophobicContact CD2-CD2 4.31Å; L45-L65 HydrophobicContact CD2-CG 3.76Å; L45-L375 HydrophobicContact CD1-CD2 4.03Å; L45-E378 HydrophobicContact CD1-CB 3.83Å; L45-E378 HydrophobicContact CD2-CB 4.15Å; L45-L382 HydrophobicContact CD2-CD2 4.46Å; L45-L382 HydrophobicContact CG-CD2 4.27Å
46A84.3Confident72.2Confident39 Ų3966.7 Ų66.732%0.32237%0.369SS..Hα-helixtrans-57.2-44.9177.400000111.8A42 C49 H50 L382A42-A46 WeakPolarHBondContact O-CB 3.38Å; A42-A46 PolarHBondContact O-N 2.69Å; A46-C49 PolarHBondContact O-N 2.81Å; A46-H50 WeakPolarHBondContact O-CB 3.45Å; A46-H50 PolarHBondContact O-N 3.11Å; A46-L382 HydrophobicContact CB-CD2 4.07Å
47E83.4Confident73.3Confident96 Ų9662.6 Ų62.645%0.44937%0.366SS..Hα-helixtrans-63.8-46.2175.7-178.358.3-151.500111.9S43 L44 L45 C49 H50 Q51S43-E47 PolarHBondContact O-N 2.93Å; L44-E47 PolarHBondContact O-N 3.46Å; L45-E47 VanDerWaalsContact C-N 3.31Å; L45-E47 PolarHBondContact O-N 3.37Å; E47-C49 VanDerWaalsContact C-N 3.33Å; E47-C49 PolarHBondContact O-N 3.29Å; E47-H50 PolarHBondContact O-N 2.94Å; E47-Q51 WeakPolarHBondContact O-CG 3.35Å; E47-Q51 PolarHBondContact O-N 3.37Å; E47-Q51 PolarHBondContact OE1-NE2 3.44Å
48A84.5Confident73.6Confident6 Ų663.8 Ų63.85%0.0536%0.362CS..Hα-helixtrans-59.7-44.6177.300000111.6L44 L45 Q51 I52 F58L44-A48 WeakPolarHBondContact O-CB 3.44Å; L44-A48 PolarHBondContact O-N 2.7Å; L45-A48 PolarHBondContact O-N 3.18Å; A48-Q51 PolarHBondContact O-N 3.23Å; A48-I52 WeakPolarHBondContact O-CD1 3.22Å; A48-I52 VanDerWaalsContact O-CG1 3.24Å; A48-I52 WeakPolarHBondContact O-CG1 3.36Å; A48-I52 PolarHBondContact O-N 3.31Å; A48-F58 HydrophobicContact CB-CD1 3.91Å; A48-F58 HydrophobicContact CB-CE1 3.97Å
49C87.7Confident73.6Confident4 Ų471.7 Ų71.73%0.02739%0.386CS..Hα-helixtrans-64.1-43.3177-65.10000111.9L45 A46 E47 Q51 I52 F53 C379L45-C49 WeakPolarHBondContact O-CB 3.46Å; L45-C49 PolarHBondContact O-N 2.73Å; L45-C49 PolarHBondContact O-SG 3.14Å; A46-C49 PolarHBondContact O-N 2.81Å; E47-C49 VanDerWaalsContact C-N 3.33Å; E47-C49 PolarHBondContact O-N 3.29Å; C49-Q51 VanDerWaalsContact C-N 3.33Å; C49-Q51 PolarHBondContact O-N 2.85Å; C49-I52 PolarHBondContact O-N 2.81Å; C49-F53 HydrophobicContact CB-CD2 4.48Å; C49-F53 HydrophobicContact CB-CE2 4.22Å; C49-F53 WeakPolarHBondContact O-CD2 3.42Å; C49-F53 WeakPolarHBondContact O-CG 3.34Å; C49-F53 PolarHBondContact O-N 3.1Å; C49-C379 WeakPolarHBondContact CA-SG 3.42Å; C49-C379 HydrophobicContact CB-CB 3.72Å; C49-C379 WeakPolarHBondContact CB-SG 3.33Å; C49-C379 WeakPolarHBondContact SG-CA 3.25Å; C49-C379 WeakPolarHBondContact SG-CB 3.44Å; C49-C379 CovalentContact SG-SG 2.04Å; C49-C379 PolarHBondContact SG-SG 3.38Å
50H85.6Confident73.5Confident99 Ų9968.8 Ų68.846%0.45837%0.374SS..Hα-helixtrans-56.9-48.1175.2-173.8-90.1000111.1A46 E47 I52 F53 E54A46-H50 WeakPolarHBondContact O-CB 3.45Å; A46-H50 PolarHBondContact O-N 3.11Å; E47-H50 PolarHBondContact O-N 2.94Å; H50-I52 VanDerWaalsContact C-N 3.35Å; H50-I52 PolarHBondContact O-N 3.24Å; H50-F53 PolarHBondContact O-N 2.82Å; H50-E54 IonicContact CE1-OE1 2.73Å; H50-E54 PolarHBondContact CE1-OE1 3.44Å; H50-E54 IonicContact ND1-OE1 2.7Å; H50-E54 WeakPolarHBondContact O-CG 3.45Å; H50-E54 PolarHBondContact O-N 3.38Å
51Q81.9Confident73.1Confident47 Ų4772.2 Ų72.222%0.2239%0.392CS..Hα-helixtrans-62.2-38.5178.1-69.9-175.412.900113.2E47 A48 C49 E54 G55 K56E47-Q51 WeakPolarHBondContact O-CG 3.35Å; E47-Q51 PolarHBondContact O-N 3.37Å; E47-Q51 PolarHBondContact OE1-NE2 3.44Å; A48-Q51 PolarHBondContact O-N 3.23Å; C49-Q51 VanDerWaalsContact C-N 3.33Å; C49-Q51 PolarHBondContact O-N 2.85Å; Q51-E54 CarbonylContact O-C 3.35Å; Q51-E54 WeakPolarHBondContact O-CB 3.3Å; Q51-E54 PolarHBondContact O-N 2.91Å; Q51-G55 PolarHBondContact O-N 3.4Å; Q51-K56 HydrophobicContact CB-CB 4.25Å; Q51-K56 HydrophobicContact CB-CD 4.17Å; Q51-K56 HydrophobicContact CG-CD 4.23Å; Q51-K56 WeakPolarHBondContact O-CB 3.38Å; Q51-K56 PolarHBondContact O-N 2.82Å
52I82Confident72.5Confident16 Ų1675 Ų758%0.08240%0.402CS..Hα-helixtrans-68.6-39.8177.2-64.4159.5000111A48 C49 H50 E54 G55 F58 L354 L375A48-I52 WeakPolarHBondContact O-CD1 3.22Å; A48-I52 VanDerWaalsContact O-CG1 3.24Å; A48-I52 WeakPolarHBondContact O-CG1 3.36Å; A48-I52 PolarHBondContact O-N 3.31Å; C49-I52 PolarHBondContact O-N 2.81Å; H50-I52 VanDerWaalsContact C-N 3.35Å; H50-I52 PolarHBondContact O-N 3.24Å; I52-E54 PolarHBondContact O-N 2.89Å; I52-G55 PolarHBondContact O-N 3.38Å; I52-F58 HydrophobicContact CD1-CB 4.39Å; I52-F58 HydrophobicContact CG1-CB 4.15Å; I52-L354 HydrophobicContact CB-CD1 4.38Å; I52-L354 HydrophobicContact CG2-CB 4.4Å; I52-L354 HydrophobicContact CG2-CD1 3.48Å; I52-L354 VanDerWaalsContact CG2-CD1 3.48Å; I52-L375 HydrophobicContact CD1-CB 4.24Å; I52-L375 HydrophobicContact CD1-CD1 3.69Å; I52-L375 HydrophobicContact CD1-CG 4.45Å
53F83Confident71.9Confident61 Ų6176 Ų7627%0.26841%0.405SS..Hα-helixtrans-64.4-29.4173.5-70.5-53.8000112.6C49 H50 G55 L354 V358 C379C49-F53 HydrophobicContact CB-CD2 4.48Å; C49-F53 HydrophobicContact CB-CE2 4.22Å; C49-F53 WeakPolarHBondContact O-CD2 3.42Å; C49-F53 WeakPolarHBondContact O-CG 3.34Å; C49-F53 PolarHBondContact O-N 3.1Å; H50-F53 PolarHBondContact O-N 2.82Å; F53-G55 PolarHBondContact O-N 3.46Å; F53-L354 HydrophobicContact CE1-CB 4.05Å; F53-L354 HydrophobicContact CE1-CD2 4.29Å; F53-L354 HydrophobicContact CZ-CD2 4.37Å; F53-V358 HydrophobicContact CD1-CG2 4.46Å; F53-V358 HydrophobicContact CE1-CB 4.45Å; F53-V358 HydrophobicContact CE1-CG1 3.51Å; F53-V358 HydrophobicContact CE1-CG2 4.16Å; F53-V358 HydrophobicContact CZ-CG1 3.91Å; F53-C379 HydrophobicContact CE2-CB 4.39Å; F53-C379 HydrophobicContact CZ-CB 4.31Å
54E80.6Confident71.3Confident114 Ų11473.4 Ų73.453%0.53339%0.389SS..THydrogen-bonded Turntrans-75.1-4.4170-70.2-170.9153.400114.2H50 Q51 I52 K56H50-E54 IonicContact CE1-OE1 2.73Å; H50-E54 PolarHBondContact CE1-OE1 3.44Å; H50-E54 IonicContact ND1-OE1 2.7Å; H50-E54 WeakPolarHBondContact O-CG 3.45Å; H50-E54 PolarHBondContact O-N 3.38Å; Q51-E54 CarbonylContact O-C 3.35Å; Q51-E54 WeakPolarHBondContact O-CB 3.3Å; Q51-E54 PolarHBondContact O-N 2.91Å; I52-E54 PolarHBondContact O-N 2.89Å; E54-K56 IonicContact OE2-NZ 3.98Å; E54-K56 PolarHBondContact OE2-NZ 3.2Å
55G67.3Low70.5Confident65 Ų6569 Ų6967%0.6737%0.366SS*.THydrogen-bonded Turntrans86.915.8178.500000114.8Q51 I52 F53Q51-G55 PolarHBondContact O-N 3.4Å; I52-G55 PolarHBondContact O-N 3.38Å; F53-G55 PolarHBondContact O-N 3.46Å
56K68.8Low69.6Low107 Ų10775.2 Ų75.247%0.46539%0.393SS..  trans-83.8141171.9-61.5173-176.3145.30110Q51 E54Q51-K56 HydrophobicContact CB-CB 4.25Å; Q51-K56 HydrophobicContact CB-CD 4.17Å; Q51-K56 HydrophobicContact CG-CD 4.23Å; Q51-K56 WeakPolarHBondContact O-CB 3.38Å; Q51-K56 PolarHBondContact O-N 2.82Å; E54-K56 IonicContact OE2-NZ 3.98Å; E54-K56 PolarHBondContact OE2-NZ 3.2Å
57V56.8Low68.5Low110 Ų11074.9 Ų74.967%0.66739%0.387SS*.  trans-86.4121.2179-174.50000109.1Y59V57-Y59 HydrophobicContact CG1-CD2 4.13Å; V57-Y59 HydrophobicContact CG1-CE1 4.27Å; V57-Y59 HydrophobicContact CG1-CE2 3.35Å; V57-Y59 VanDerWaalsContact CG1-CZ 3.43Å; V57-Y59 WeakPolarHBondContact CG1-OH 3.4Å
58F59Low67.5Low74 Ų7474.9 Ų74.933%0.32539%0.394SS..  trans-125138.8179.4-158.7-106.4000110.7A48 I52 P60 N351 L375A48-F58 HydrophobicContact CB-CD1 3.91Å; A48-F58 HydrophobicContact CB-CE1 3.97Å; I52-F58 HydrophobicContact CD1-CB 4.39Å; I52-F58 HydrophobicContact CG1-CB 4.15Å; F58-P60 HydrophobicContact CD1-CB 4.4Å; F58-P60 VanDerWaalsContact CD1-CD 3.48Å; F58-P60 HydrophobicContact CD1-CG 3.68Å; F58-P60 HydrophobicContact CE1-CB 3.98Å; F58-P60 HydrophobicContact CE1-CG 3.7Å; F58-N351 PolarHBondContact O-ND2 3.1Å; F58-L375 HydrophobicContact CD1-CD1 4.22Å
59Y52.1Low66.5Low197 Ų19776.8 Ų76.877%0.77340%0.403SS*.  trans-131.384-179.6-59-79.7000111.1V57V57-Y59 HydrophobicContact CG1-CD2 4.13Å; V57-Y59 HydrophobicContact CG1-CE1 4.27Å; V57-Y59 HydrophobicContact CG1-CE2 3.35Å; V57-Y59 VanDerWaalsContact CG1-CZ 3.43Å; V57-Y59 WeakPolarHBondContact CG1-OH 3.4Å
60P53.4Low65.5Low47 Ų4779.9 Ų79.931%0.30542%0.419SS..  trans-88.7141.1160.231.5-18.5000109.3F58 L375F58-P60 HydrophobicContact CD1-CB 4.4Å; F58-P60 VanDerWaalsContact CD1-CD 3.48Å; F58-P60 HydrophobicContact CD1-CG 3.68Å; F58-P60 HydrophobicContact CE1-CB 3.98Å; F58-P60 HydrophobicContact CE1-CG 3.7Å; P60-L375 HydrophobicContact CG-CD1 3.33Å; P60-L375 HydrophobicContact CG-CD2 3.77Å; P60-L375 HydrophobicContact CG-CG 3.66Å
61T50.4Low64.4Low146 Ų14684.9 Ų84.990%0.89644%0.443SS*.  trans-92.8-2.3-176.628.90000114
62E56.6Low63.9Low131 Ų13183.8 Ų83.861%0.61244%0.442SS*.SBendtrans-129143.4-177.2-69.7-162.3-156.100113.6A64 K66E62-A64 PolarHBondContact O-N 2.99Å; E62-K66 IonicContact OE2-NZ 2.75Å; E62-K66 PolarHBondContact OE2-NZ 3.42Å
63N57.7Low64.2Low37 Ų3786.9 Ų86.920%0.19846%0.461CS..  trans-65.6122.5172-178.9-30000110L65 K66 R112 E378N63-L65 VanDerWaalsContact OD1-C 3.3Å; N63-L65 PolarHBondContact OD1-N 3.37Å; N63-K66 HydrophobicContact CB-CG 4.33Å; N63-K66 WeakPolarHBondContact O-CE 3.5Å; N63-K66 WeakPolarHBondContact O-CG 3.4Å; N63-K66 PolarHBondContact OD1-N 3.4Å; N63-R112 PolarHBondContact ND2-NH2 3.48Å; N63-R112 VanDerWaalsContact ND2-NH2 3.2Å; N63-R112 PolarHBondContact OD1-NH2 3.49Å; N63-E378 VanDerWaalsContact CA-OE1 3.22Å; N63-E378 WeakPolarHBondContact CA-OE1 3.35Å; N63-E378 PolarHBondContact OD1-OE1 3.11Å
64A60.1Low64.7Low30 Ų3086.4 Ų86.425%0.24847%0.465CS..SBendtrans-81.3-25.9-177.200000112.7L45 E62 E378L45-A64 HydrophobicContact CB-CB 4.31Å; L45-A64 HydrophobicContact CD1-CB 4.46Å; L45-A64 HydrophobicContact CD2-CB 4.48Å; E62-A64 PolarHBondContact O-N 2.99Å; A64-E378 PolarHBondContact N-OE1 3.32Å
65L62.5Low65.2Low19 Ų1989 Ų8910%0.09947%0.471CS..SBendtrans-105.744.5-175.2-71.8174000112L45 N63 T67 R112 E378 F402L45-L65 HydrophobicContact CD2-CD1 3.68Å; L45-L65 HydrophobicContact CD2-CD2 4.31Å; L45-L65 HydrophobicContact CD2-CG 3.76Å; N63-L65 VanDerWaalsContact OD1-C 3.3Å; N63-L65 PolarHBondContact OD1-N 3.37Å; L65-T67 PolarHBondContact O-N 2.79Å; L65-T67 VanDerWaalsContact O-N 3.09Å; L65-R112 VanDerWaalsContact C-NH2 3.3Å; L65-R112 VanDerWaalsContact O-CZ 3.31Å; L65-R112 PolarHBondContact O-NH2 3.25Å; L65-E378 HydrophobicContact CD1-CB 4.43Å; L65-E378 HydrophobicContact CD1-CG 4.36Å; L65-E378 PolarHBondContact N-OE1 3.25Å; L65-F402 HydrophobicContact CD1-CD2 4.48Å; L65-F402 HydrophobicContact CD1-CG 4.47Å; L65-F402 HydrophobicContact CD2-CB 3.94Å; L65-F402 HydrophobicContact CD2-CD1 3.94Å; L65-F402 HydrophobicContact CD2-CG 3.96Å
66K63Low66.3Low135 Ų13589.7 Ų89.759%0.58746%0.457SS*.  trans-57.4118.3-177.3-73.1175.9-170.7168.40111.4E62 N63E62-K66 IonicContact OE2-NZ 2.75Å; E62-K66 PolarHBondContact OE2-NZ 3.42Å; N63-K66 HydrophobicContact CB-CG 4.33Å; N63-K66 WeakPolarHBondContact O-CE 3.5Å; N63-K66 WeakPolarHBondContact O-CG 3.4Å; N63-K66 PolarHBondContact OD1-N 3.4Å
67T62.4Low67.4Low31 Ų3184.9 Ų84.919%0.1944%0.436CS..  trans-97.8126.8167.528.90000108.5L65 E111 R115L65-T67 PolarHBondContact O-N 2.79Å; L65-T67 VanDerWaalsContact O-N 3.09Å; T67-E111 WeakPolarHBondContact CB-OE2 3.31Å; T67-E111 PolarHBondContact OG1-OE2 2.85Å; T67-R115 VanDerWaalsContact CG2-NH1 3.33Å
68T61.5Low69.2Low97 Ų9781.1 Ų81.160%0.59541%0.411SS*.  trans-112.1118.1173.250.70000108.7D70T68-D70 PolarHBondContact O-N 2.78Å
69L63.8Low70.7Confident45 Ų4580 Ų8024%0.23641%0.411CS..  trans-79.988.8168.2-163.875.7000107.3Y77 F107 Q142L69-Y77 HydrophobicContact CD1-CD2 3.62Å; L69-Y77 HydrophobicContact CD1-CE1 4.41Å; L69-Y77 HydrophobicContact CD1-CE2 3.4Å; L69-Y77 VanDerWaalsContact CD1-CE2 3.4Å; L69-Y77 HydrophobicContact CD1-CG 4.22Å; L69-F107 HydrophobicContact CD2-CZ 4.17Å; L69-Q142 HydrophobicContact CD1-CG 4.38Å; L69-Q142 HydrophobicContact CD2-CB 3.89Å; L69-Q142 VanDerWaalsContact CD2-CD 3.44Å; L69-Q142 HydrophobicContact CD2-CG 3.73Å; L69-Q142 HydrophobicContact CG-CG 4.08Å
70D66.5Low72.5Confident69 Ų6976.5 Ų76.537%0.36940%0.396SS..  trans-99.7-173.4177.961.3-9.5000111.3T68 A72 R80T68-D70 PolarHBondContact O-N 2.78Å; D70-A72 PolarHBondContact O-N 2.86Å; D70-A72 WeakPolarHBondContact OD1-CB 3Å; D70-A72 PolarHBondContact OD1-N 3.36Å; D70-R80 IonicContact OD1-NH1 2.82Å; D70-R80 IonicContact OD2-NH1 2.69Å; D70-R80 PolarHBondContact OD2-NH1 2.91Å
71E63.2Low74.3Confident205 Ų20574.3 Ų74.396%0.95838%0.382SS*.SBendtrans-69.626.1172.8-65.1-177166.600112.9
72A71.1Confident76.5Confident24 Ų2469.2 Ų69.220%0.19835%0.348CS..  trans-69.9152173.700000111.2D70 E76D70-A72 PolarHBondContact O-N 2.86Å; D70-A72 WeakPolarHBondContact OD1-CB 3Å; D70-A72 PolarHBondContact OD1-N 3.36Å; A72-E76 HydrophobicContact CB-CB 3.98Å
73T88Confident78.4Confident80 Ų8063.1 Ų63.149%0.49132%0.319SS..  trans-62.9153.6168.462.80000110.1Y75 E76 Y77T73-Y75 PolarHBondContact O-N 3.4Å; T73-Y75 VanDerWaalsContact O-N 3.14Å; T73-E76 PolarHBondContact N-OE2 2.83Å; T73-E76 PolarHBondContact O-N 3.26Å; T73-E76 VanDerWaalsContact OG1-CD 3.24Å; T73-E76 VanDerWaalsContact OG1-CG 3.26Å; T73-E76 WeakPolarHBondContact OG1-CG 3.46Å; T73-E76 PolarHBondContact OG1-N 3.29Å; T73-E76 PolarHBondContact OG1-OE2 2.84Å; T73-Y77 PolarHBondContact O-N 3.23Å
74C93.1Very high80.3Confident51 Ų5161.5 Ų61.535%0.34531%0.311SS..Hα-helixtrans-56.4-33.9178.4-77.40000113.3M78 C146C74-M78 WeakPolarHBondContact O-CB 3.41Å; C74-M78 WeakPolarHBondContact O-CE 3.26Å; C74-M78 VanDerWaalsContact O-CG 3.3Å; C74-M78 WeakPolarHBondContact O-CG 3.12Å; C74-M78 PolarHBondContact O-N 3.23Å; C74-C146 WeakPolarHBondContact CA-SG 3.36Å; C74-C146 HydrophobicContact CB-CB 3.47Å; C74-C146 VanDerWaalsContact CB-CB 3.47Å; C74-C146 WeakPolarHBondContact CB-SG 3.46Å; C74-C146 WeakPolarHBondContact SG-CA 3.32Å; C74-C146 WeakPolarHBondContact SG-CB 3.47Å; C74-C146 CovalentContact SG-SG 2.05Å; C74-C146 PolarHBondContact SG-SG 3.3Å
75Y91.6Very high82Confident169 Ų16962.8 Ų62.866%0.66332%0.316SS*.Hα-helixtrans-61.5-51.3173.5175.8-98.3000112T73 Y77 M78 V79T73-Y75 PolarHBondContact O-N 3.4Å; T73-Y75 VanDerWaalsContact O-N 3.14Å; Y75-Y77 VanDerWaalsContact C-N 3.33Å; Y75-Y77 PolarHBondContact O-N 3.42Å; Y75-M78 PolarHBondContact O-N 2.75Å; Y75-V79 HydrophobicContact CD1-CG2 4.5Å; Y75-V79 HydrophobicContact CE1-CG2 4.09Å; Y75-V79 HydrophobicContact CE2-CG2 4.17Å; Y75-V79 WeakPolarHBondContact O-CG2 3.28Å; Y75-V79 PolarHBondContact O-N 2.98Å
76E91.1Very high83.7Confident79 Ų7966 Ų6637%0.36933%0.33SS..Hα-helixtrans-62.4-41.1178.3-71.9164.9149.600111.7A72 T73 V79 R80A72-E76 HydrophobicContact CB-CB 3.98Å; T73-E76 PolarHBondContact N-OE2 2.83Å; T73-E76 PolarHBondContact O-N 3.26Å; T73-E76 VanDerWaalsContact OG1-CD 3.24Å; T73-E76 VanDerWaalsContact OG1-CG 3.26Å; T73-E76 WeakPolarHBondContact OG1-CG 3.46Å; T73-E76 PolarHBondContact OG1-N 3.29Å; T73-E76 PolarHBondContact OG1-OE2 2.84Å; E76-V79 PolarHBondContact O-N 3.25Å; E76-R80 WeakPolarHBondContact O-CB 3.32Å; E76-R80 VanDerWaalsContact O-CG 3.27Å; E76-R80 WeakPolarHBondContact O-CG 3.49Å; E76-R80 PolarHBondContact O-N 2.88Å
77Y91.6Very high85.3Confident6 Ų661.4 Ų61.42%0.02431%0.313CS..Hα-helixtrans-59.5-47.9175.2170.9-98.4000111.5L69 T73 Y75 V79 R80 S81 Y83 E111 L143 F147L69-Y77 HydrophobicContact CD1-CD2 3.62Å; L69-Y77 HydrophobicContact CD1-CE1 4.41Å; L69-Y77 HydrophobicContact CD1-CE2 3.4Å; L69-Y77 VanDerWaalsContact CD1-CE2 3.4Å; L69-Y77 HydrophobicContact CD1-CG 4.22Å; T73-Y77 PolarHBondContact O-N 3.23Å; Y75-Y77 VanDerWaalsContact C-N 3.33Å; Y75-Y77 PolarHBondContact O-N 3.42Å; Y77-V79 VanDerWaalsContact C-N 3.34Å; Y77-V79 PolarHBondContact O-N 3.37Å; Y77-R80 PolarHBondContact O-N 2.95Å; Y77-S81 WeakPolarHBondContact CD2-OG 3.34Å; Y77-S81 WeakPolarHBondContact CE2-OG 3.25Å; Y77-S81 WeakPolarHBondContact O-CB 3.33Å; Y77-S81 PolarHBondContact O-N 2.78Å; Y77-S81 PolarHBondContact O-OG 3.17Å; Y77-Y83 HydrophobicContact CE1-CD2 4.34Å; Y77-Y83 AromaticContact CE1-CE2 3.65Å; Y77-Y83 HydrophobicContact CE1-CE2 3.65Å; Y77-Y83 AromaticContact CZ-CE2 3.94Å; Y77-Y83 PolarHBondContact OH-OH 2.8Å; Y77-E111 PolarHBondContact OH-OE1 3.37Å; Y77-L143 HydrophobicContact CE1-CD1 3.53Å; Y77-L143 WeakPolarHBondContact OH-CD1 3.41Å; Y77-F147 HydrophobicContact CE1-CE2 4.14Å; Y77-F147 HydrophobicContact CE1-CZ 4.16Å
78M93.7Very high87Confident32 Ų3260 Ų6016%0.15830%0.304CS..Hα-helixtrans-61.7-41.7179-75.8-174.6-70.900112C74 Y75 H82 Y83 T85 F147C74-M78 WeakPolarHBondContact O-CB 3.41Å; C74-M78 WeakPolarHBondContact O-CE 3.26Å; C74-M78 VanDerWaalsContact O-CG 3.3Å; C74-M78 WeakPolarHBondContact O-CG 3.12Å; C74-M78 PolarHBondContact O-N 3.23Å; Y75-M78 PolarHBondContact O-N 2.75Å; M78-H82 PolarHBondContact O-N 3.28Å; M78-H82 VanDerWaalsContact O-N 3.12Å; M78-Y83 PolarHBondContact O-N 2.87Å; M78-T85 HydrophobicContact CB-CG2 4.32Å; M78-T85 HydrophobicContact SD-CG2 4.12Å; M78-F147 HydrophobicContact CG-CE1 3.76Å; M78-F147 HydrophobicContact CG-CZ 3.87Å; M78-F147 HydrophobicContact SD-CD1 4.12Å; M78-F147 HydrophobicContact SD-CE1 3.74Å; M78-F147 HydrophobicContact SD-CZ 4.39Å
79V92.1Very high88.8Confident51 Ų5155.5 Ų55.531%0.30928%0.277SS..Hα-helixtrans-65.9-51.3177.4169.60000111.2Y75 E76 Y77 S81 H82Y75-V79 HydrophobicContact CD1-CG2 4.5Å; Y75-V79 HydrophobicContact CE1-CG2 4.09Å; Y75-V79 HydrophobicContact CE2-CG2 4.17Å; Y75-V79 WeakPolarHBondContact O-CG2 3.28Å; Y75-V79 PolarHBondContact O-N 2.98Å; E76-V79 PolarHBondContact O-N 3.25Å; Y77-V79 VanDerWaalsContact C-N 3.34Å; Y77-V79 PolarHBondContact O-N 3.37Å; V79-S81 VanDerWaalsContact C-N 3.28Å; V79-S81 PolarHBondContact O-N 3.29Å; V79-H82 PolarHBondContact O-N 3.1Å; V79-H82 VanDerWaalsContact O-N 3.13Å
80R89.8Confident90.4Very high122 Ų12261.4 Ų61.446%0.4630%0.304SS..Hα-helixtrans-65.9-31.5-179.4-71.7176.1-179.1-178.91.8112.8D70 E76 Y77 H82D70-R80 IonicContact OD1-NH1 2.82Å; D70-R80 IonicContact OD2-NH1 2.69Å; D70-R80 PolarHBondContact OD2-NH1 2.91Å; E76-R80 WeakPolarHBondContact O-CB 3.32Å; E76-R80 VanDerWaalsContact O-CG 3.27Å; E76-R80 WeakPolarHBondContact O-CG 3.49Å; E76-R80 PolarHBondContact O-N 2.88Å; Y77-R80 PolarHBondContact O-N 2.95Å; R80-H82 VanDerWaalsContact C-N 3.28Å; R80-H82 PolarHBondContact O-CD2 2.88Å; R80-H82 VanDerWaalsContact O-CD2 3.32Å; R80-H82 PolarHBondContact O-NE2 3.38Å
81S91.6Very high92Very high2 Ų260.5 Ų60.51%0.01430%0.297CS..THydrogen-bonded Turntrans-89.13.3178.1-56.90000112.5Y77 V79 Y83 R115Y77-S81 WeakPolarHBondContact CD2-OG 3.34Å; Y77-S81 WeakPolarHBondContact CE2-OG 3.25Å; Y77-S81 WeakPolarHBondContact O-CB 3.33Å; Y77-S81 PolarHBondContact O-N 2.78Å; Y77-S81 PolarHBondContact O-OG 3.17Å; V79-S81 VanDerWaalsContact C-N 3.28Å; V79-S81 PolarHBondContact O-N 3.29Å; S81-Y83 PolarHBondContact O-N 2.89Å; S81-R115 WeakPolarHBondContact O-CD 3.24Å; S81-R115 PolarHBondContact O-NH1 2.98Å
82H95.1Very high93.7Very high39 Ų3950.9 Ų50.918%0.18125%0.252CS..THydrogen-bonded Turntrans58.542.5176-44.9-83.5000113.5M78 V79 R80 R385 S399 Y401 F402M78-H82 PolarHBondContact O-N 3.28Å; M78-H82 VanDerWaalsContact O-N 3.12Å; V79-H82 PolarHBondContact O-N 3.1Å; V79-H82 VanDerWaalsContact O-N 3.13Å; R80-H82 VanDerWaalsContact C-N 3.28Å; R80-H82 PolarHBondContact O-CD2 2.88Å; R80-H82 VanDerWaalsContact O-CD2 3.32Å; R80-H82 PolarHBondContact O-NE2 3.38Å; H82-R385 PolarHBondContact O-NH1 2.84Å; H82-R385 PolarHBondContact O-NH2 3.24Å; H82-S399 VanDerWaalsContact CA-O 3.31Å; H82-S399 WeakPolarHBondContact CA-O 3.38Å; H82-S399 WeakPolarHBondContact CB-O 3.49Å; H82-S399 PolarHBondContact ND1-O 2.94Å; H82-Y401 PolarHBondContact CE1-O 3.04Å; H82-Y401 PolarHBondContact ND1-O 2.88Å; H82-F402 HydrophobicContact CB-CD1 4.07Å; H82-F402 HydrophobicContact CB-CE1 4.05Å; H82-F402 AromaticContact CD2-CD1 3.69Å; H82-F402 AromaticContact CG-CD1 3.93Å
83Y97.1Very high95Very high2 Ų252 Ų521%0.00826%0.261CS..  trans-72.3139.6172.7-80.5-95.2000110.6Y77 M78 S81 T85 F114 R115 Y118 F147 W400Y77-Y83 HydrophobicContact CE1-CD2 4.34Å; Y77-Y83 AromaticContact CE1-CE2 3.65Å; Y77-Y83 HydrophobicContact CE1-CE2 3.65Å; Y77-Y83 AromaticContact CZ-CE2 3.94Å; Y77-Y83 PolarHBondContact OH-OH 2.8Å; M78-Y83 PolarHBondContact O-N 2.87Å; S81-Y83 PolarHBondContact O-N 2.89Å; Y83-T85 PolarHBondContact O-N 2.84Å; Y83-F114 AromaticContact CE1-CD1 3.73Å; Y83-F114 HydrophobicContact CE1-CD1 3.73Å; Y83-F114 AromaticContact CE1-CE1 3.88Å; Y83-F114 HydrophobicContact CE1-CE1 3.88Å; Y83-F114 WeakPolarHBondContact OH-CD1 3.42Å; Y83-R115 HydrophobicContact CD1-CB 4.42Å; Y83-R115 HydrophobicContact CD1-CG 4.3Å; Y83-R115 HydrophobicContact CE1-CB 3.81Å; Y83-R115 HydrophobicContact CE1-CG 4.16Å; Y83-R115 HydrophobicContact CE2-CB 4.44Å; Y83-R115 HydrophobicContact CE2-CG 4.47Å; Y83-Y118 AromaticContact CD1-CD1 3.82Å; Y83-Y118 HydrophobicContact CD1-CD1 3.82Å; Y83-Y118 AromaticContact CD1-CG 3.91Å; Y83-Y118 HydrophobicContact CD1-CG 3.91Å; Y83-Y118 HydrophobicContact CE1-CG 4.32Å; Y83-F147 AromaticContact CD1-CE1 3.52Å; Y83-F147 HydrophobicContact CD1-CE1 3.52Å; Y83-F147 AromaticContact CD1-CZ 3.54Å; Y83-F147 HydrophobicContact CD1-CZ 3.54Å; Y83-F147 HydrophobicContact CD2-CE1 4.35Å; Y83-F147 AromaticContact CD2-CZ 3.85Å; Y83-F147 HydrophobicContact CD2-CZ 3.85Å; Y83-F147 AromaticContact CE1-CE1 3.81Å; Y83-F147 HydrophobicContact CE1-CE1 3.81Å; Y83-F147 HydrophobicContact CE1-CE2 4.22Å; Y83-F147 AromaticContact CE1-CZ 3.41Å; Y83-F147 HydrophobicContact CE1-CZ 3.41Å; Y83-F147 VanDerWaalsContact CE1-CZ 3.41Å; Y83-F147 AromaticContact CE2-CZ 3.73Å; Y83-F147 HydrophobicContact CE2-CZ 3.73Å; Y83-F147 AromaticContact CG-CE1 3.82Å; Y83-F147 HydrophobicContact CG-CE1 3.82Å; Y83-F147 AromaticContact CG-CZ 3.76Å; Y83-F147 HydrophobicContact CG-CZ 3.76Å; Y83-F147 AromaticContact CZ-CZ 3.51Å; Y83-W400 PolarHBondContact O-NE1 3.13Å
84V97.8Very high95.5Very high4 Ų450.7 Ų50.72%0.02426%0.264CS..  trans-77.6109.5169.1177.10000107.6E86 L88 Y118 M119 L389 W400V84-E86 WeakPolarHBondContact CG1-O 3.5Å; V84-L88 HydrophobicContact CG1-CD1 4.08Å; V84-L88 HydrophobicContact CG1-CD2 3.81Å; V84-L88 HydrophobicContact CG1-CG 3.95Å; V84-Y118 WeakPolarHBondContact O-CD1 3.33Å; V84-Y118 VanDerWaalsContact O-CE1 3.26Å; V84-Y118 WeakPolarHBondContact O-CE1 3.26Å; V84-M119 HydrophobicContact CB-SD 4.36Å; V84-M119 HydrophobicContact CG1-CE 4.36Å; V84-M119 HydrophobicContact CG1-SD 3.92Å; V84-L389 HydrophobicContact CG2-CD2 4.46Å; V84-W400 HydrophobicContact CG1-CD2 4.39Å; V84-W400 HydrophobicContact CG1-CE3 4.42Å; V84-W400 HydrophobicContact CG2-CB 4.43Å; V84-W400 HydrophobicContact CG2-CD2 4.47Å; V84-W400 HydrophobicContact CG2-CG 4.32Å
85T96.3Very high95.7Very high57 Ų5749.4 Ų49.435%0.3525%0.252SS..  trans-100.7-3.2-170.550.70000113.8M78 Y83 W400M78-T85 HydrophobicContact CB-CG2 4.32Å; M78-T85 HydrophobicContact SD-CG2 4.12Å; Y83-T85 PolarHBondContact O-N 2.84Å; T85-W400 PolarHBondContact OG1-NE1 2.83Å
86E97.3Very high96.1Very high86 Ų8641.8 Ų41.840%0.40222%0.224SC..SBendtrans-128.5155.2177-60.8176.3-158.600110.5V84 P120 Q397 W400V84-E86 WeakPolarHBondContact CG1-O 3.5Å; E86-P120 VanDerWaalsContact C-CG 3.41Å; E86-Q397 PolarHBondContact OE1-NE2 2.74Å; E86-W400 HydrophobicContact CB-CH2 3.72Å; E86-W400 HydrophobicContact CB-CZ2 3.81Å; E86-W400 HydrophobicContact CG-CH2 4.18Å; E86-W400 HydrophobicContact CG-CZ2 3.93Å
87T97.8Very high96.5Very high39 Ų3938 Ų3824%0.23921%0.206CC..  trans-72.8136.2176.3-54.60000110.1S89 E92 A93 Q121 T394T87-S89 WeakPolarHBondContact CG2-O 3.43Å; T87-E92 HydrophobicContact CG2-CB 4.26Å; T87-A93 HydrophobicContact CG2-CB 3.8Å; T87-Q121 HydrophobicContact CG2-CG 4.27Å; T87-Q121 PolarHBondContact OG1-OE1 3.18Å; T87-T394 WeakPolarHBondContact O-CG2 3.37Å; T87-T394 PolarHBondContact O-OG1 2.86Å
88L98.3Very high96.8Very high0 Ų037.8 Ų37.80%021%0.205CC..  trans-92.3-13.5-171.4-59.2-176.5000114.3V84 M119 T388 E393 T394 W400V84-L88 HydrophobicContact CG1-CD1 4.08Å; V84-L88 HydrophobicContact CG1-CD2 3.81Å; V84-L88 HydrophobicContact CG1-CG 3.95Å; L88-M119 HydrophobicContact CD1-CE 4.01Å; L88-T388 HydrophobicContact CD1-CG2 3.47Å; L88-T388 VanDerWaalsContact CD1-CG2 3.47Å; L88-E393 PolarHBondContact O-N 3.32Å; L88-T394 PolarHBondContact O-N 3.18Å; L88-W400 HydrophobicContact CD2-CE3 4.11Å; L88-W400 HydrophobicContact CD2-CH2 4.14Å; L88-W400 HydrophobicContact CD2-CZ3 3.51Å
89S98.3Very high97.1Very high4 Ų436.3 Ų36.33%0.02820%0.198CC..  trans-157.8155.8176.863.30000112.6T87 E91 E92 A93 E393T87-S89 WeakPolarHBondContact CG2-O 3.43Å; S89-E91 PolarHBondContact O-N 3.45Å; S89-E92 PolarHBondContact O-N 3.44Å; S89-E92 WeakPolarHBondContact OG-CB 3.45Å; S89-E92 WeakPolarHBondContact OG-CG 3.29Å; S89-E92 PolarHBondContact OG-N 3.28Å; S89-E92 PolarHBondContact OG-OE2 2.62Å; S89-A93 PolarHBondContact O-N 3.02Å; S89-E393 VanDerWaalsContact CB-OE2 3.25Å; S89-E393 WeakPolarHBondContact CB-OE2 3.43Å
90E98.3Very high97.4Very high169 Ų16934 Ų3479%0.7918%0.184SC*.Hα-helixtrans-62.6-34.1173-68-172.7167.800111.7E92 A93 G94E90-E92 VanDerWaalsContact C-N 3.34Å; E90-E92 PolarHBondContact O-N 2.84Å; E90-A93 PolarHBondContact O-N 2.95Å; E90-G94 PolarHBondContact O-N 2.88Å
91E98.5Very high97.8Very high50 Ų5028.2 Ų28.223%0.23416%0.162CC..Hα-helixtrans-60.2-43.8176.9155.6155.6-118.100111.8S89 F95 R201 V204 Q205 K208S89-E91 PolarHBondContact O-N 3.45Å; E91-F95 PolarHBondContact O-N 3.49Å; E91-R201 IonicContact OE2-NE 3.76Å; E91-R201 IonicContact OE2-NH2 3.11Å; E91-V204 HydrophobicContact CG-CG1 4Å; E91-Q205 PolarHBondContact OE2-NE2 3.23Å; E91-K208 IonicContact OE1-NZ 3.77Å; E91-K208 PolarHBondContact OE1-NZ 2.73Å
92E98.7Very high98.1Very high3 Ų328.8 Ų28.81%0.01417%0.165CC..Hα-helixtrans-73.5-38.3178.1-70.3170.7103.200111.7T87 S89 E90 G94 F95 N200 R201 V204T87-E92 HydrophobicContact CG2-CB 4.26Å; S89-E92 PolarHBondContact O-N 3.44Å; S89-E92 WeakPolarHBondContact OG-CB 3.45Å; S89-E92 WeakPolarHBondContact OG-CG 3.29Å; S89-E92 PolarHBondContact OG-N 3.28Å; S89-E92 PolarHBondContact OG-OE2 2.62Å; E90-E92 VanDerWaalsContact C-N 3.34Å; E90-E92 PolarHBondContact O-N 2.84Å; E92-G94 VanDerWaalsContact C-N 3.29Å; E92-G94 PolarHBondContact O-N 3.47Å; E92-F95 CarbonylContact O-C 3.59Å; E92-F95 PolarHBondContact O-N 3.34Å; E92-N200 WeakPolarHBondContact CG-ND2 3.39Å; E92-N200 WeakPolarHBondContact OE1-CB 3.41Å; E92-N200 PolarHBondContact OE1-ND2 3.44Å; E92-R201 HydrophobicContact CG-CB 4.03Å; E92-R201 HydrophobicContact CG-CG 4.33Å; E92-R201 PolarHBondContact OE1-N 2.9Å; E92-V204 HydrophobicContact CG-CG2 4.44Å
93A98.5Very high98.3Very high47 Ų4727 Ų2739%0.38816%0.157SC..Hα-helixtrans-58.5-41.6173.900000111.9T87 S89 E90 F95T87-A93 HydrophobicContact CG2-CB 3.8Å; S89-A93 PolarHBondContact O-N 3.02Å; E90-A93 PolarHBondContact O-N 2.95Å; A93-F95 VanDerWaalsContact C-N 3.28Å; A93-F95 PolarHBondContact O-N 3.15Å
94G98.6Very high98.2Very high52 Ų5231.4 Ų31.454%0.53618%0.178SC..THydrogen-bonded Turntrans-78.3-4.8179.900000115.1E90 E92E90-G94 PolarHBondContact O-N 2.88Å; E92-G94 VanDerWaalsContact C-N 3.29Å; E92-G94 PolarHBondContact O-N 3.47Å
95F98.8Very high98.1Very high25 Ų2535 Ų3511%0.1119%0.193CC..SBendtrans-133.664.8179.1-155.9-86.5000112.2E91 E92 A93 L97 K185 Y186 V204 L207 K208E91-F95 PolarHBondContact O-N 3.49Å; E92-F95 CarbonylContact O-C 3.59Å; E92-F95 PolarHBondContact O-N 3.34Å; A93-F95 VanDerWaalsContact C-N 3.28Å; A93-F95 PolarHBondContact O-N 3.15Å; F95-L97 HydrophobicContact CD1-CD2 3.8Å; F95-L97 HydrophobicContact CE1-CD2 3.81Å; F95-L97 PolarHBondContact O-N 3.18Å; F95-K185 HydrophobicContact CD1-CB 4.15Å; F95-K185 HydrophobicContact CD1-CG 4.26Å; F95-K185 HydrophobicContact CD2-CB 4.24Å; F95-K185 HydrophobicContact CD2-CG 3.83Å; F95-K185 HydrophobicContact CE1-CB 3.85Å; F95-K185 HydrophobicContact CE1-CG 4.39Å; F95-K185 HydrophobicContact CE2-CB 3.94Å; F95-K185 HydrophobicContact CE2-CG 3.98Å; F95-K185 HydrophobicContact CG-CB 4.35Å; F95-K185 HydrophobicContact CG-CG 3.99Å; F95-K185 HydrophobicContact CZ-CB 3.75Å; F95-K185 HydrophobicContact CZ-CG 4.27Å; F95-Y186 AromaticContact CE1-CD2 3.93Å; F95-Y186 HydrophobicContact CE1-CD2 3.93Å; F95-Y186 AromaticContact CZ-CD2 3.66Å; F95-Y186 HydrophobicContact CZ-CD2 3.66Å; F95-Y186 AromaticContact CZ-CE2 3.91Å; F95-Y186 HydrophobicContact CZ-CE2 3.91Å; F95-V204 HydrophobicContact CB-CG1 3.63Å; F95-V204 HydrophobicContact CB-CG2 4.3Å; F95-V204 HydrophobicContact CD1-CB 4.28Å; F95-V204 HydrophobicContact CD1-CG1 3.89Å; F95-V204 HydrophobicContact CD1-CG2 4.03Å; F95-V204 HydrophobicContact CG-CG1 3.83Å; F95-L207 HydrophobicContact CE1-CB 4.02Å; F95-L207 HydrophobicContact CE1-CD1 4.29Å; F95-L207 HydrophobicContact CZ-CB 4.2Å; F95-K208 HydrophobicContact CD2-CD 4.38Å; F95-K208 HydrophobicContact CD2-CG 3.88Å; F95-K208 HydrophobicContact CE2-CG 3.64Å; F95-K208 HydrophobicContact CZ-CG 4.1Å
96P98.8Very high98Very high9 Ų934.5 Ų34.56%0.05819%0.188CC..  trans-60.2140178.5-22.934.8000112.2Q121 V182 W184 K185P96-Q121 WeakPolarHBondContact CB-O 3.49Å; P96-V182 HydrophobicContact CB-CG1 3.95Å; P96-W184 HydrophobicContact CB-CB 4.34Å; P96-W184 CarbonylContact O-C 3.54Å; P96-W184 VanDerWaalsContact O-CA 3.26Å; P96-W184 WeakPolarHBondContact O-CA 3.32Å; P96-K185 PolarHBondContact O-N 2.76Å
97L98.9Very high98Very high0 Ų032.4 Ų32.40%018%0.178CC..EExtended strand (participates in β ladder)trans-106.6148.8175.6-57.7178.4000110.3F95 Y99 N122 V123 I188 I203 V204 L207F95-L97 HydrophobicContact CD1-CD2 3.8Å; F95-L97 HydrophobicContact CE1-CD2 3.81Å; F95-L97 PolarHBondContact O-N 3.18Å; L97-Y99 HydrophobicContact CB-CE2 3.87Å; L97-Y99 HydrophobicContact CD1-CE2 4.44Å; L97-N122 PolarHBondContact N-OD1 2.85Å; L97-N122 CarbonylContact O-C 3.54Å; L97-N122 VanDerWaalsContact O-CA 3.25Å; L97-N122 WeakPolarHBondContact O-CA 3.43Å; L97-N122 VanDerWaalsContact O-CB 3.23Å; L97-N122 WeakPolarHBondContact O-CB 3.22Å; L97-V123 PolarHBondContact O-N 3.46Å; L97-I188 HydrophobicContact CD1-CD1 4.36Å; L97-I203 HydrophobicContact CD1-CB 4.39Å; L97-I203 HydrophobicContact CD1-CG2 3.63Å; L97-V204 HydrophobicContact CD1-CG2 4.21Å; L97-V204 HydrophobicContact CG-CG2 4.39Å; L97-L207 HydrophobicContact CD2-CD1 3.63Å
98A98.9Very high97.8Very high0 Ų031.7 Ų31.70%018%0.178CC..EExtended strand (participates in β ladder)trans-106.8149.8167.500000110.2V123 L177 W184 Y186 V187 I188A98-V123 CarbonylContact C-O 3.54Å; A98-V123 VanDerWaalsContact CA-O 3.26Å; A98-V123 WeakPolarHBondContact CA-O 3.23Å; A98-V123 HydrophobicContact CB-CG1 3.7Å; A98-L177 HydrophobicContact CB-CD1 4.16Å; A98-L177 HydrophobicContact CB-CD2 4.01Å; A98-W184 HydrophobicContact CB-CB 4.04Å; A98-W184 HydrophobicContact CB-CD2 3.59Å; A98-W184 HydrophobicContact CB-CE3 3.9Å; A98-W184 HydrophobicContact CB-CG 3.64Å; A98-Y186 PolarHBondContact N-O 3.49Å; A98-V187 HydrophobicContact CB-CB 3.92Å; A98-V187 HydrophobicContact CB-CG2 4.04Å; A98-V187 CarbonylContact O-C 3.36Å; A98-V187 VanDerWaalsContact O-CA 3.25Å; A98-V187 WeakPolarHBondContact O-CA 3.37Å; A98-I188 PolarHBondContact O-N 3.37Å
99Y98.9Very high97.7Very high1 Ų132 Ų320%0.00418%0.18CC..EExtended strand (participates in β ladder)trans-130.3133.4174.5-69.7-88.4000111.1L97 I117 V123 Y124 C125 I188 T190 F364L97-Y99 HydrophobicContact CB-CE2 3.87Å; L97-Y99 HydrophobicContact CD1-CE2 4.44Å; Y99-I117 HydrophobicContact CD1-CD1 4.14Å; Y99-I117 HydrophobicContact CE1-CD1 4.5Å; Y99-I117 HydrophobicContact CG-CD1 4.18Å; Y99-V123 PolarHBondContact N-O 3.26Å; Y99-Y124 AromaticContact CD2-CD1 3.65Å; Y99-Y124 HydrophobicContact CD2-CD1 3.65Å; Y99-Y124 AromaticContact CD2-CE1 3.28Å; Y99-Y124 HydrophobicContact CD2-CE1 3.28Å; Y99-Y124 AromaticContact CE2-CE1 3.81Å; Y99-Y124 HydrophobicContact CE2-CE1 3.81Å; Y99-Y124 AromaticContact CG-CD1 3.98Å; Y99-Y124 HydrophobicContact CG-CD1 3.98Å; Y99-Y124 AromaticContact CG-CE1 3.98Å; Y99-Y124 HydrophobicContact CG-CE1 3.98Å; Y99-C125 PolarHBondContact O-N 3.44Å; Y99-I188 WeakPolarHBondContact CA-O 3.2Å; Y99-I188 HydrophobicContact CD1-CB 4.01Å; Y99-I188 HydrophobicContact CE1-CB 3.9Å; Y99-I188 HydrophobicContact CE1-CD1 3.89Å; Y99-I188 HydrophobicContact CE1-CG1 4.48Å; Y99-I188 HydrophobicContact CE1-CG2 4.32Å; Y99-T190 HydrophobicContact CD1-CG2 4.31Å; Y99-F364 AromaticContact CE1-CZ 3.85Å; Y99-F364 HydrophobicContact CE1-CZ 3.85Å
100T98.8Very high97.7Very high4 Ų431.8 Ų31.83%0.02518%0.178CC..EExtended strand (participates in β ladder)trans-96.6128.7158.473.50000107.6C125 D170 C173 L177 V187 I188 N189 T190T100-C125 CarbonylContact C-O 3.57Å; T100-C125 WeakPolarHBondContact CA-O 3.25Å; T100-D170 PolarHBondContact OG1-OD1 3.22Å; T100-C173 HydrophobicContact CG2-CB 3.61Å; T100-L177 HydrophobicContact CG2-CD1 3.68Å; T100-V187 HydrophobicContact CG2-CG2 3.81Å; T100-I188 PolarHBondContact N-O 3.03Å; T100-N189 CarbonylContact O-C 3.6Å; T100-N189 WeakPolarHBondContact O-CA 3.37Å; T100-N189 VanDerWaalsContact OG1-CA 3.29Å; T100-N189 WeakPolarHBondContact OG1-CA 3.35Å; T100-N189 WeakPolarHBondContact OG1-CB 3.26Å; T100-T190 PolarHBondContact O-N 2.94Å; T100-T190 PolarHBondContact O-OG1 3.4Å
101V98.7Very high97.6Very high0 Ų024 Ų240%014%0.142CC..EExtended strand (participates in β ladder)trans-125.1103.9-179.4-164.20000108.8I103 F110 L113 I117 C125 V126 H127 T190V101-I103 HydrophobicContact CG1-CG2 3.88Å; V101-F110 HydrophobicContact CG1-CD2 4.18Å; V101-F110 HydrophobicContact CG1-CE2 3.94Å; V101-L113 HydrophobicContact CG1-CD2 4.22Å; V101-I117 HydrophobicContact CG2-CD1 4.44Å; V101-C125 PolarHBondContact N-O 3.44Å; V101-V126 HydrophobicContact CB-CG2 4.26Å; V101-V126 CarbonylContact O-C 3.58Å; V101-V126 WeakPolarHBondContact O-CA 3.13Å; V101-H127 PolarHBondContact O-N 3.42Å; V101-T190 WeakPolarHBondContact CA-O 3.28Å
102T98.3Very high97.5Very high13 Ų1321.6 Ų21.68%0.0813%0.131CC..EExtended strand (participates in β ladder)trans-92.5118.9-179.1-590000110.7A169 T190 C191 G192T102-A169 HydrophobicContact CG2-CB 4.2Å; T102-T190 PolarHBondContact N-O 3.48Å; T102-C191 VanDerWaalsContact O-CA 3.29Å; T102-C191 WeakPolarHBondContact O-CA 3.37Å; T102-G192 PolarHBondContact O-N 2.93Å; T102-G192 VanDerWaalsContact O-N 3.13Å
103I98.2Very high97.5Very high1 Ų121.5 Ų21.51%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-135.2148.9-172.167174.9000112.9V101 F110 V126 H127 L128 D129 F136 V140V101-I103 HydrophobicContact CG1-CG2 3.88Å; I103-F110 HydrophobicContact CD1-CD1 3.85Å; I103-F110 HydrophobicContact CD1-CD2 4.14Å; I103-F110 HydrophobicContact CD1-CE1 3.78Å; I103-F110 HydrophobicContact CD1-CE2 4.1Å; I103-F110 HydrophobicContact CD1-CG 4.01Å; I103-F110 HydrophobicContact CD1-CZ 3.92Å; I103-F110 HydrophobicContact CG2-CD2 3.73Å; I103-F110 HydrophobicContact CG2-CE2 4.18Å; I103-F110 HydrophobicContact CG2-CG 4.18Å; I103-V126 HydrophobicContact CD1-CG1 3.46Å; I103-V126 VanDerWaalsContact CD1-CG1 3.46Å; I103-V126 HydrophobicContact CG1-CG1 3.8Å; I103-H127 PolarHBondContact N-O 3.28Å; I103-L128 HydrophobicContact CD1-CD1 4.23Å; I103-L128 HydrophobicContact CG1-CD1 4.01Å; I103-D129 PolarHBondContact O-N 3.23Å; I103-F136 HydrophobicContact CB-CZ 4.28Å; I103-F136 HydrophobicContact CD1-CE1 4.15Å; I103-F136 HydrophobicContact CD1-CZ 3.95Å; I103-F136 HydrophobicContact CG1-CE1 4.17Å; I103-F136 HydrophobicContact CG1-CZ 4.2Å; I103-V140 HydrophobicContact CD1-CB 4.43Å; I103-V140 HydrophobicContact CD1-CG1 3.85Å; I103-V140 HydrophobicContact CD1-CG2 3.64Å
104H95.9Very high97.5Very high96 Ų9619.3 Ų19.344%0.44411%0.112SC..SBendtrans-143.1-11.8179.167.3-80.3000114.8D129 A132H104-D129 HydrophobicContact CB-CB 3.59Å; H104-A132 WeakPolarHBondContact O-CB 3.23Å
105K94.9Very high97.5Very high79 Ų7917.1 Ų17.134%0.3439%0.087SC..SBendtrans-164.3-177-178.264.3173.7-176.6141.60111.8F136K105-F136 VanDerWaalsContact O-CE2 3.24Å; K105-F136 WeakPolarHBondContact O-CE2 3.44Å; K105-F136 VanDerWaalsContact O-CZ 3.3Å; K105-F136 WeakPolarHBondContact O-CZ 3.3Å
106D95.1Very high97.5Very high46 Ų4616.3 Ų16.325%0.2469%0.086CC..  trans57.162.7169.5-57.9-33.4000113.9G108 T109 F110D106-G108 VanDerWaalsContact C-N 3.31Å; D106-G108 PolarHBondContact O-N 2.79Å; D106-T109 PolarHBondContact O-N 2.74Å; D106-F110 PolarHBondContact O-N 3.13Å; D106-F110 VanDerWaalsContact O-N 3.16Å
107F96.1Very high97.5Very high43 Ų4316.1 Ų16.119%0.1898%0.084CC..Hα-helixtrans-52.7-44.7-174176.2-95.7000113.1L69 T109 F110 E111 F136 A139 V140 L143L69-F107 HydrophobicContact CD2-CZ 4.17Å; F107-T109 VanDerWaalsContact C-N 3.34Å; F107-T109 PolarHBondContact O-N 2.95Å; F107-F110 HydrophobicContact CD2-CD1 4.36Å; F107-F110 PolarHBondContact O-N 3.12Å; F107-E111 HydrophobicContact CE1-CB 4.2Å; F107-E111 HydrophobicContact CE1-CG 4.47Å; F107-E111 HydrophobicContact CZ-CB 4.38Å; F107-E111 WeakPolarHBondContact O-CB 3.3Å; F107-E111 PolarHBondContact O-N 3.4Å; F107-F136 HydrophobicContact CB-CD2 3.94Å; F107-F136 HydrophobicContact CB-CE2 3.88Å; F107-A139 HydrophobicContact CD2-CB 3.7Å; F107-A139 HydrophobicContact CE2-CB 3.77Å; F107-A139 HydrophobicContact CG-CB 4.14Å; F107-A139 HydrophobicContact CZ-CB 4.27Å; F107-V140 HydrophobicContact CD2-CG2 4.1Å; F107-V140 HydrophobicContact CE2-CG2 4.48Å; F107-L143 HydrophobicContact CE2-CB 4.15Å; F107-L143 HydrophobicContact CE2-CD2 4.12Å; F107-L143 HydrophobicContact CZ-CB 4.23Å; F107-L143 HydrophobicContact CZ-CD2 4.26Å
108G94.7Very high97.5Very high24 Ų2416.8 Ų16.825%0.2479%0.087CC..Hα-helixtrans-58.2-43.9178.800000112.6D106 E111 R112D106-G108 VanDerWaalsContact C-N 3.31Å; D106-G108 PolarHBondContact O-N 2.79Å; G108-E111 PolarHBondContact O-N 3.44Å; G108-R112 VanDerWaalsContact O-CG 3.27Å; G108-R112 WeakPolarHBondContact O-CG 3.42Å; G108-R112 PolarHBondContact O-N 3.46Å; G108-R112 VanDerWaalsContact O-N 3.14Å
109T95.9Very high97.5Very high5 Ų517 Ų173%0.0319%0.088CC..Hα-helixtrans-63.7-43.7176.7-51.30000111.2D106 F107 R112 L113 G192 F368 L370D106-T109 PolarHBondContact O-N 2.74Å; F107-T109 VanDerWaalsContact C-N 3.34Å; F107-T109 PolarHBondContact O-N 2.95Å; T109-R112 PolarHBondContact O-N 3.21Å; T109-L113 PolarHBondContact O-N 2.83Å; T109-L113 VanDerWaalsContact O-N 3.09Å; T109-G192 WeakPolarHBondContact CG2-O 3.32Å; T109-F368 HydrophobicContact CG2-CB 4.42Å; T109-L370 WeakPolarHBondContact OG1-CB 3.36Å; T109-L370 PolarHBondContact OG1-N 2.94Å
110F97.8Very high97.4Very high0 Ų018.8 Ų18.80%010%0.099CC..Hα-helixtrans-62.9-43.7176.5162.4-115.5000112.5V101 I103 D106 F107 R112 L113 F114 V126 V140 L143V101-F110 HydrophobicContact CG1-CD2 4.18Å; V101-F110 HydrophobicContact CG1-CE2 3.94Å; I103-F110 HydrophobicContact CD1-CD1 3.85Å; I103-F110 HydrophobicContact CD1-CD2 4.14Å; I103-F110 HydrophobicContact CD1-CE1 3.78Å; I103-F110 HydrophobicContact CD1-CE2 4.1Å; I103-F110 HydrophobicContact CD1-CG 4.01Å; I103-F110 HydrophobicContact CD1-CZ 3.92Å; I103-F110 HydrophobicContact CG2-CD2 3.73Å; I103-F110 HydrophobicContact CG2-CE2 4.18Å; I103-F110 HydrophobicContact CG2-CG 4.18Å; D106-F110 PolarHBondContact O-N 3.13Å; D106-F110 VanDerWaalsContact O-N 3.16Å; F107-F110 HydrophobicContact CD2-CD1 4.36Å; F107-F110 PolarHBondContact O-N 3.12Å; F110-R112 VanDerWaalsContact C-N 3.28Å; F110-R112 PolarHBondContact O-N 2.93Å; F110-L113 WeakPolarHBondContact O-CB 3.32Å; F110-L113 PolarHBondContact O-N 2.95Å; F110-F114 HydrophobicContact CE2-CB 4.12Å; F110-F114 HydrophobicContact CZ-CB 4.33Å; F110-F114 WeakPolarHBondContact O-CB 3.23Å; F110-F114 PolarHBondContact O-N 3.43Å; F110-V126 HydrophobicContact CE2-CG1 4.41Å; F110-V126 HydrophobicContact CE2-CG2 4.46Å; F110-V126 HydrophobicContact CZ-CG1 4.15Å; F110-V126 HydrophobicContact CZ-CG2 4.2Å; F110-V140 HydrophobicContact CD1-CG2 4.24Å; F110-V140 HydrophobicContact CE1-CG1 4.15Å; F110-V140 HydrophobicContact CE1-CG2 4.09Å; F110-L143 HydrophobicContact CD1-CD2 4.3Å; F110-L143 HydrophobicContact CE1-CD2 3.64Å; F110-L143 HydrophobicContact CZ-CD2 4.23Å
111E96.9Very high97.4Very high5 Ų519.8 Ų19.82%0.02310%0.104CC..Hα-helixtrans-59.1-40.9178.1-175-174.3-140.800111T67 Y77 F107 G108 F114 R115T67-E111 WeakPolarHBondContact CB-OE2 3.31Å; T67-E111 PolarHBondContact OG1-OE2 2.85Å; Y77-E111 PolarHBondContact OH-OE1 3.37Å; F107-E111 HydrophobicContact CE1-CB 4.2Å; F107-E111 HydrophobicContact CE1-CG 4.47Å; F107-E111 HydrophobicContact CZ-CB 4.38Å; F107-E111 WeakPolarHBondContact O-CB 3.3Å; F107-E111 PolarHBondContact O-N 3.4Å; G108-E111 PolarHBondContact O-N 3.44Å; E111-F114 PolarHBondContact O-N 3.26Å; E111-R115 WeakPolarHBondContact O-CB 3.2Å; E111-R115 PolarHBondContact O-N 3.22Å
112R96.5Very high97.4Very high1 Ų119.8 Ų19.80%0.00410%0.104CC..Hα-helixtrans-64.3-45174.9-62.5-57.5178.9115.913.9112.7N63 L65 G108 T109 F110 A116 F195 L370 V377 E381N63-R112 PolarHBondContact ND2-NH2 3.48Å; N63-R112 VanDerWaalsContact ND2-NH2 3.2Å; N63-R112 PolarHBondContact OD1-NH2 3.49Å; L65-R112 VanDerWaalsContact C-NH2 3.3Å; L65-R112 VanDerWaalsContact O-CZ 3.31Å; L65-R112 PolarHBondContact O-NH2 3.25Å; G108-R112 VanDerWaalsContact O-CG 3.27Å; G108-R112 WeakPolarHBondContact O-CG 3.42Å; G108-R112 PolarHBondContact O-N 3.46Å; G108-R112 VanDerWaalsContact O-N 3.14Å; T109-R112 PolarHBondContact O-N 3.21Å; F110-R112 VanDerWaalsContact C-N 3.28Å; F110-R112 PolarHBondContact O-N 2.93Å; R112-A116 WeakPolarHBondContact O-CB 3.03Å; R112-A116 PolarHBondContact O-N 3.27Å; R112-F195 HydrophobicContact CB-CE2 4.25Å; R112-L370 HydrophobicContact CG-CD2 3.99Å; R112-V377 HydrophobicContact CB-CG1 4.08Å; R112-V377 HydrophobicContact CG-CG1 4.27Å; R112-E381 VanDerWaalsContact CD-OE2 3.32Å; R112-E381 WeakPolarHBondContact CD-OE2 3.37Å; R112-E381 IonicContact CZ-OE2 3.9Å; R112-E381 IonicContact NE-OE2 3.71Å; R112-E381 IonicContact NH1-OE2 2.74Å; R112-E381 PolarHBondContact NH1-OE2 3.16Å
113L98.4Very high97.5Very high0 Ų019.2 Ų19.20%010%0.1CC..Hα-helixtrans-57.9-52.2173.416860.1000110.4V101 T109 F110 R115 A116 I117 C191 D194V101-L113 HydrophobicContact CG1-CD2 4.22Å; T109-L113 PolarHBondContact O-N 2.83Å; T109-L113 VanDerWaalsContact O-N 3.09Å; F110-L113 WeakPolarHBondContact O-CB 3.32Å; F110-L113 PolarHBondContact O-N 2.95Å; L113-R115 PolarHBondContact O-N 2.99Å; L113-A116 PolarHBondContact O-N 2.79Å; L113-A116 VanDerWaalsContact O-N 3.11Å; L113-I117 HydrophobicContact CD1-CD1 4.37Å; L113-I117 HydrophobicContact CD1-CG2 3.85Å; L113-I117 HydrophobicContact CG-CD1 4.46Å; L113-I117 WeakPolarHBondContact O-CG1 3.34Å; L113-I117 PolarHBondContact O-N 2.97Å; L113-C191 WeakPolarHBondContact CD2-O 3.25Å; L113-D194 WeakPolarHBondContact CD1-O 3.32Å; L113-D194 HydrophobicContact CD2-CB 4.22Å
114F98.6Very high97.5Very high1 Ų119.1 Ų19.10%0.00410%0.1CC..Hα-helixtrans-58.8-47.9-176.6-175.3-106.1000111.1Y83 F110 E111 A116 I117 Y118 Y124 L143 L144 F147 A150Y83-F114 AromaticContact CE1-CD1 3.73Å; Y83-F114 HydrophobicContact CE1-CD1 3.73Å; Y83-F114 AromaticContact CE1-CE1 3.88Å; Y83-F114 HydrophobicContact CE1-CE1 3.88Å; Y83-F114 WeakPolarHBondContact OH-CD1 3.42Å; F110-F114 HydrophobicContact CE2-CB 4.12Å; F110-F114 HydrophobicContact CZ-CB 4.33Å; F110-F114 WeakPolarHBondContact O-CB 3.23Å; F110-F114 PolarHBondContact O-N 3.43Å; E111-F114 PolarHBondContact O-N 3.26Å; F114-A116 VanDerWaalsContact C-N 3.31Å; F114-A116 PolarHBondContact O-N 2.91Å; F114-I117 WeakPolarHBondContact O-CG1 3.29Å; F114-I117 PolarHBondContact O-N 3.08Å; F114-Y118 HydrophobicContact CE1-CD2 4.05Å; F114-Y118 HydrophobicContact CE2-CD2 4.44Å; F114-Y118 AromaticContact CZ-CD2 3.74Å; F114-Y118 HydrophobicContact CZ-CD2 3.74Å; F114-Y118 HydrophobicContact CZ-CE2 4.4Å; F114-Y118 WeakPolarHBondContact O-CB 3.35Å; F114-Y118 PolarHBondContact O-N 3.48Å; F114-Y124 HydrophobicContact CE2-CD1 4.16Å; F114-Y124 HydrophobicContact CE2-CD2 4.38Å; F114-Y124 AromaticContact CE2-CG 3.94Å; F114-Y124 HydrophobicContact CE2-CG 3.94Å; F114-L143 HydrophobicContact CD1-CD2 4.16Å; F114-L144 HydrophobicContact CE2-CD2 4.11Å; F114-L144 HydrophobicContact CZ-CD2 4.08Å; F114-F147 HydrophobicContact CD1-CE2 4.43Å; F114-F147 HydrophobicContact CE1-CD1 4.33Å; F114-F147 AromaticContact CE1-CD2 3.55Å; F114-F147 HydrophobicContact CE1-CD2 3.55Å; F114-F147 HydrophobicContact CE1-CE1 4.35Å; F114-F147 AromaticContact CE1-CE2 3.61Å; F114-F147 HydrophobicContact CE1-CE2 3.61Å; F114-F147 AromaticContact CE1-CG 3.93Å; F114-F147 HydrophobicContact CE1-CG 3.93Å; F114-F147 HydrophobicContact CE1-CZ 4.01Å; F114-F147 HydrophobicContact CZ-CB 4.37Å; F114-F147 AromaticContact CZ-CD2 4Å; F114-F147 HydrophobicContact CZ-CD2 4Å; F114-F147 HydrophobicContact CZ-CE2 4.49Å; F114-F147 HydrophobicContact CZ-CG 4.06Å; F114-A150 HydrophobicContact CE2-CB 3.96Å; F114-A150 HydrophobicContact CZ-CB 3.72Å
115R98.1Very high97.6Very high6 Ų614.6 Ų14.62%0.0238%0.079CC..Hα-helixtrans-59.1-38.4174.6179.9169.765-165.81113.7T67 S81 Y83 E111 L113 E381T67-R115 VanDerWaalsContact CG2-NH1 3.33Å; S81-R115 WeakPolarHBondContact O-CD 3.24Å; S81-R115 PolarHBondContact O-NH1 2.98Å; Y83-R115 HydrophobicContact CD1-CB 4.42Å; Y83-R115 HydrophobicContact CD1-CG 4.3Å; Y83-R115 HydrophobicContact CE1-CB 3.81Å; Y83-R115 HydrophobicContact CE1-CG 4.16Å; Y83-R115 HydrophobicContact CE2-CB 4.44Å; Y83-R115 HydrophobicContact CE2-CG 4.47Å; E111-R115 WeakPolarHBondContact O-CB 3.2Å; E111-R115 PolarHBondContact O-N 3.22Å; L113-R115 PolarHBondContact O-N 2.99Å; R115-E381 IonicContact CZ-OE1 2.91Å; R115-E381 IonicContact CZ-OE2 3.82Å; R115-E381 IonicContact NE-OE1 2.68Å; R115-E381 PolarHBondContact NE-OE1 3.27Å; R115-E381 IonicContact NH2-OE1 3.67Å; R115-E381 PolarHBondContact NH2-OE1 3.3Å; R115-E381 IonicContact NH2-OE2 3.5Å; R115-E381 PolarHBondContact NH2-OE2 3.01Å
116A98.5Very high97.8Very high9 Ų910.8 Ų10.87%0.0746%0.063CC..Hα-helixtrans-73.2-28.5-179.200000113.1R112 L113 F114 F195 P196 H384R112-A116 WeakPolarHBondContact O-CB 3.03Å; R112-A116 PolarHBondContact O-N 3.27Å; L113-A116 PolarHBondContact O-N 2.79Å; L113-A116 VanDerWaalsContact O-N 3.11Å; F114-A116 VanDerWaalsContact C-N 3.31Å; F114-A116 PolarHBondContact O-N 2.91Å; A116-F195 HydrophobicContact CB-CE1 4.38Å; A116-F195 HydrophobicContact CB-CE2 3.8Å; A116-F195 HydrophobicContact CB-CZ 3.63Å; A116-P196 HydrophobicContact CB-CG 3.54Å; A116-H384 PolarHBondContact O-CE1 3.3Å
117I98.8Very high98Very high5 Ų58.6 Ų8.63%0.0265%0.051CC..Hα-helixtrans-97.7-14.5178.467.5175.9000113.8Y99 V101 L113 F114 M119 Y124 P196 F364Y99-I117 HydrophobicContact CD1-CD1 4.14Å; Y99-I117 HydrophobicContact CE1-CD1 4.5Å; Y99-I117 HydrophobicContact CG-CD1 4.18Å; V101-I117 HydrophobicContact CG2-CD1 4.44Å; L113-I117 HydrophobicContact CD1-CD1 4.37Å; L113-I117 HydrophobicContact CD1-CG2 3.85Å; L113-I117 HydrophobicContact CG-CD1 4.46Å; L113-I117 WeakPolarHBondContact O-CG1 3.34Å; L113-I117 PolarHBondContact O-N 2.97Å; F114-I117 WeakPolarHBondContact O-CG1 3.29Å; F114-I117 PolarHBondContact O-N 3.08Å; I117-M119 PolarHBondContact O-N 3.37Å; I117-Y124 HydrophobicContact CB-CE1 4.42Å; I117-Y124 HydrophobicContact CD1-CD1 4.05Å; I117-Y124 HydrophobicContact CD1-CE1 3.91Å; I117-Y124 HydrophobicContact CG1-CD1 4.33Å; I117-Y124 HydrophobicContact CG1-CE1 3.79Å; I117-Y124 PolarHBondContact O-OH 2.92Å; I117-P196 HydrophobicContact CG2-CB 4.2Å; I117-P196 HydrophobicContact CG2-CG 3.84Å; I117-F364 HydrophobicContact CG2-CE1 3.75Å; I117-F364 HydrophobicContact CG2-CZ 4.22Å
118Y98.8Very high98.1Very high13 Ų136.9 Ų6.95%0.0514%0.044CC..  trans-65.5129.2-175.2-179.5-92.9000111.9Y83 V84 F114 Y124 F147 N149Y83-Y118 AromaticContact CD1-CD1 3.82Å; Y83-Y118 HydrophobicContact CD1-CD1 3.82Å; Y83-Y118 AromaticContact CD1-CG 3.91Å; Y83-Y118 HydrophobicContact CD1-CG 3.91Å; Y83-Y118 HydrophobicContact CE1-CG 4.32Å; V84-Y118 WeakPolarHBondContact O-CD1 3.33Å; V84-Y118 VanDerWaalsContact O-CE1 3.26Å; V84-Y118 WeakPolarHBondContact O-CE1 3.26Å; F114-Y118 HydrophobicContact CE1-CD2 4.05Å; F114-Y118 HydrophobicContact CE2-CD2 4.44Å; F114-Y118 AromaticContact CZ-CD2 3.74Å; F114-Y118 HydrophobicContact CZ-CD2 3.74Å; F114-Y118 HydrophobicContact CZ-CE2 4.4Å; F114-Y118 WeakPolarHBondContact O-CB 3.35Å; F114-Y118 PolarHBondContact O-N 3.48Å; Y118-Y124 VanDerWaalsContact CA-OH 3.25Å; Y118-Y124 WeakPolarHBondContact CA-OH 3.47Å; Y118-Y124 HydrophobicContact CD2-CD2 4.4Å; Y118-Y124 AromaticContact CD2-CE2 3.93Å; Y118-Y124 HydrophobicContact CD2-CE2 3.93Å; Y118-Y124 HydrophobicContact CE2-CE2 4.34Å; Y118-F147 HydrophobicContact CD1-CE1 4.38Å; Y118-F147 AromaticContact CD2-CD1 3.88Å; Y118-F147 HydrophobicContact CD2-CD1 3.88Å; Y118-F147 HydrophobicContact CD2-CE1 4.26Å; Y118-F147 HydrophobicContact CD2-CG 4.43Å; Y118-F147 HydrophobicContact CE1-CD1 4.05Å; Y118-F147 HydrophobicContact CE1-CE1 4.12Å; Y118-F147 HydrophobicContact CE2-CB 4.02Å; Y118-F147 AromaticContact CE2-CD1 3.27Å; Y118-F147 HydrophobicContact CE2-CD1 3.27Å; Y118-F147 AromaticContact CE2-CE1 4Å; Y118-F147 HydrophobicContact CE2-CE1 4Å; Y118-F147 AromaticContact CE2-CG 3.9Å; Y118-F147 HydrophobicContact CE2-CG 3.9Å; Y118-F147 HydrophobicContact CG-CD1 4.47Å; Y118-F147 HydrophobicContact CG-CE1 4.45Å; Y118-F147 AromaticContact CZ-CD1 3.37Å; Y118-F147 AromaticContact CZ-CE1 3.92Å; Y118-N149 VanDerWaalsContact CE2-OD1 3.26Å; Y118-N149 WeakPolarHBondContact CE2-OD1 3.37Å; Y118-N149 PolarHBondContact OH-OD1 2.94Å
119M98.7Very high98.2Very high4 Ų46.3 Ų6.32%0.024%0.035CC..  trans-145.1141.7168.8-70.7-66171.700108.4V84 L88 I117 Q121 N122 Y124 N149 N200 T388V84-M119 HydrophobicContact CB-SD 4.36Å; V84-M119 HydrophobicContact CG1-CE 4.36Å; V84-M119 HydrophobicContact CG1-SD 3.92Å; L88-M119 HydrophobicContact CD1-CE 4.01Å; I117-M119 PolarHBondContact O-N 3.37Å; M119-Q121 VanDerWaalsContact C-N 3.28Å; M119-Q121 PolarHBondContact O-N 3.32Å; M119-N122 HydrophobicContact CB-CB 4.49Å; M119-N122 PolarHBondContact O-N 3.44Å; M119-Y124 PolarHBondContact N-OH 2.93Å; M119-N149 PolarHBondContact O-ND2 3.26Å; M119-N149 VanDerWaalsContact O-ND2 3.1Å; M119-N200 HydrophobicContact CE-CB 3.94Å; M119-N200 HydrophobicContact CG-CB 3.83Å; M119-T388 HydrophobicContact CE-CG2 3.64Å
120P98.3Very high98.2Very high39 Ų3911 Ų1125%0.2536%0.057SC..THydrogen-bonded Turntrans-66.9-25.2-171.426.7-36.4000114.1E86 N149E86-P120 VanDerWaalsContact C-CG 3.41Å; P120-N149 PolarHBondContact O-ND2 2.04Å
121Q98.7Very high98Very high25 Ų2515.8 Ų15.812%0.1178%0.077CC..THydrogen-bonded Turntrans-81.4-17.7178.272.3-79.64.600113.8T87 P96 M119T87-Q121 HydrophobicContact CG2-CG 4.27Å; T87-Q121 PolarHBondContact OG1-OE1 3.18Å; P96-Q121 WeakPolarHBondContact CB-O 3.49Å; M119-Q121 VanDerWaalsContact C-N 3.28Å; M119-Q121 PolarHBondContact O-N 3.32Å
122N98.9Very high97.9Very high0 Ų016 Ų160%08%0.08CC..SBendtrans-82.2178.1-179.1-71.3-14.4000111.3L97 M119 Y124 N149 N200L97-N122 PolarHBondContact N-OD1 2.85Å; L97-N122 CarbonylContact O-C 3.54Å; L97-N122 VanDerWaalsContact O-CA 3.25Å; L97-N122 WeakPolarHBondContact O-CA 3.43Å; L97-N122 VanDerWaalsContact O-CB 3.23Å; L97-N122 WeakPolarHBondContact O-CB 3.22Å; M119-N122 HydrophobicContact CB-CB 4.49Å; M119-N122 PolarHBondContact O-N 3.44Å; N122-Y124 HydrophobicContact CB-CE2 3.69Å; N122-Y124 WeakPolarHBondContact CB-OH 3.41Å; N122-Y124 PolarHBondContact ND2-OH 3.18Å; N122-N149 WeakPolarHBondContact O-CB 3.48Å; N122-N149 PolarHBondContact O-ND2 3.23Å; N122-N200 PolarHBondContact ND2-OD1 3.02Å
123V98.9Very high97.9Very high1 Ų120.4 Ų20.41%0.00611%0.107CC..EExtended strand (participates in β ladder)trans-136.4142.3174.460.80000111.8L97 A98 Y99 N149 F151 L177 V182 W184L97-V123 PolarHBondContact O-N 3.46Å; A98-V123 CarbonylContact C-O 3.54Å; A98-V123 VanDerWaalsContact CA-O 3.26Å; A98-V123 WeakPolarHBondContact CA-O 3.23Å; A98-V123 HydrophobicContact CB-CG1 3.7Å; Y99-V123 PolarHBondContact N-O 3.26Å; V123-N149 WeakPolarHBondContact CA-O 3.35Å; V123-F151 HydrophobicContact CG2-CE1 3.67Å; V123-F151 HydrophobicContact CG2-CZ 4.44Å; V123-L177 HydrophobicContact CB-CD2 4.35Å; V123-L177 HydrophobicContact CG1-CD2 3.77Å; V123-L177 HydrophobicContact CG2-CD2 3.84Å; V123-V182 HydrophobicContact CB-CB 4.13Å; V123-V182 HydrophobicContact CB-CG1 4.26Å; V123-V182 HydrophobicContact CB-CG2 4.11Å; V123-V182 HydrophobicContact CG1-CB 4.15Å; V123-V182 HydrophobicContact CG1-CG1 4.16Å; V123-W184 HydrophobicContact CG1-CB 4.31Å; V123-W184 HydrophobicContact CG1-CG 4.11Å
124Y98.9Very high97.8Very high0 Ų026.7 Ų26.70%014%0.141CC..EExtended strand (participates in β ladder)trans-131.3116.4-170.7-53-94.8000110.8Y99 F114 I117 Y118 M119 N122 N149 A150 F151Y99-Y124 AromaticContact CD2-CD1 3.65Å; Y99-Y124 HydrophobicContact CD2-CD1 3.65Å; Y99-Y124 AromaticContact CD2-CE1 3.28Å; Y99-Y124 HydrophobicContact CD2-CE1 3.28Å; Y99-Y124 AromaticContact CE2-CE1 3.81Å; Y99-Y124 HydrophobicContact CE2-CE1 3.81Å; Y99-Y124 AromaticContact CG-CD1 3.98Å; Y99-Y124 HydrophobicContact CG-CD1 3.98Å; Y99-Y124 AromaticContact CG-CE1 3.98Å; Y99-Y124 HydrophobicContact CG-CE1 3.98Å; F114-Y124 HydrophobicContact CE2-CD1 4.16Å; F114-Y124 HydrophobicContact CE2-CD2 4.38Å; F114-Y124 AromaticContact CE2-CG 3.94Å; F114-Y124 HydrophobicContact CE2-CG 3.94Å; I117-Y124 HydrophobicContact CB-CE1 4.42Å; I117-Y124 HydrophobicContact CD1-CD1 4.05Å; I117-Y124 HydrophobicContact CD1-CE1 3.91Å; I117-Y124 HydrophobicContact CG1-CD1 4.33Å; I117-Y124 HydrophobicContact CG1-CE1 3.79Å; I117-Y124 PolarHBondContact O-OH 2.92Å; Y118-Y124 VanDerWaalsContact CA-OH 3.25Å; Y118-Y124 WeakPolarHBondContact CA-OH 3.47Å; Y118-Y124 HydrophobicContact CD2-CD2 4.4Å; Y118-Y124 AromaticContact CD2-CE2 3.93Å; Y118-Y124 HydrophobicContact CD2-CE2 3.93Å; Y118-Y124 HydrophobicContact CE2-CE2 4.34Å; M119-Y124 PolarHBondContact N-OH 2.93Å; N122-Y124 HydrophobicContact CB-CE2 3.69Å; N122-Y124 WeakPolarHBondContact CB-OH 3.41Å; N122-Y124 PolarHBondContact ND2-OH 3.18Å; Y124-N149 PolarHBondContact N-O 3.42Å; Y124-A150 HydrophobicContact CD2-CB 4.37Å; Y124-A150 CarbonylContact O-C 3.51Å; Y124-A150 VanDerWaalsContact O-CA 3.29Å; Y124-A150 WeakPolarHBondContact O-CA 3.43Å; Y124-F151 PolarHBondContact O-N 3.47Å
125C98.9Very high97.7Very high0 Ų030.6 Ų30.60%017%0.173CC..EExtended strand (participates in β ladder)trans-99.9126.5165.81780000109.9Y99 T100 V101 F151 C173 L177Y99-C125 PolarHBondContact O-N 3.44Å; T100-C125 CarbonylContact C-O 3.57Å; T100-C125 WeakPolarHBondContact CA-O 3.25Å; V101-C125 PolarHBondContact N-O 3.44Å; C125-F151 HydrophobicContact CB-CD2 4.32Å; C125-F151 HydrophobicContact CB-CE2 3.62Å; C125-F151 HydrophobicContact CB-CZ 3.94Å; C125-C173 HydrophobicContact CB-CB 3.59Å; C125-C173 WeakPolarHBondContact CB-SG 3.33Å; C125-C173 PolarHBondContact O-SG 3.02Å; C125-C173 WeakPolarHBondContact SG-CA 3.13Å; C125-C173 WeakPolarHBondContact SG-CB 3.38Å; C125-C173 CovalentContact SG-SG 2.04Å; C125-C173 PolarHBondContact SG-SG 3.38Å; C125-L177 HydrophobicContact CB-CD1 4.05Å; C125-L177 HydrophobicContact CB-CD2 4Å; C125-L177 HydrophobicContact CB-CG 3.79Å
126V98.9Very high97.7Very high0 Ų031.1 Ų31.10%018%0.175CC..EExtended strand (participates in β ladder)trans-108.4113.8177.7-177.70000109.3V101 I103 F110 V140 L144 F151 L152 A153V101-V126 HydrophobicContact CB-CG2 4.26Å; V101-V126 CarbonylContact O-C 3.58Å; V101-V126 WeakPolarHBondContact O-CA 3.13Å; I103-V126 HydrophobicContact CD1-CG1 3.46Å; I103-V126 VanDerWaalsContact CD1-CG1 3.46Å; I103-V126 HydrophobicContact CG1-CG1 3.8Å; F110-V126 HydrophobicContact CE2-CG1 4.41Å; F110-V126 HydrophobicContact CE2-CG2 4.46Å; F110-V126 HydrophobicContact CZ-CG1 4.15Å; F110-V126 HydrophobicContact CZ-CG2 4.2Å; V126-V140 HydrophobicContact CG1-CG1 4.28Å; V126-L144 HydrophobicContact CB-CD1 3.73Å; V126-L144 HydrophobicContact CG1-CD1 4.25Å; V126-L144 HydrophobicContact CG2-CD1 3.72Å; V126-L144 HydrophobicContact CG2-CD2 3.9Å; V126-L144 HydrophobicContact CG2-CG 4.46Å; V126-F151 PolarHBondContact N-O 3.44Å; V126-L152 HydrophobicContact CB-CD2 4.26Å; V126-L152 HydrophobicContact CG1-CD2 4.33Å; V126-L152 WeakPolarHBondContact O-CA 3.38Å; V126-A153 PolarHBondContact O-N 3.26Å
127H98.8Very high97.6Very high0 Ų032.7 Ų32.70%018%0.18CC..EExtended strand (participates in β ladder)trans-86.1119.9169.9-176-75.7000109.3V101 I103 A153 E157 A169V101-H127 PolarHBondContact O-N 3.42Å; I103-H127 PolarHBondContact N-O 3.28Å; H127-A153 HydrophobicContact CB-CB 4.33Å; H127-E157 PolarHBondContact CE1-N 3.42Å; H127-E157 PolarHBondContact NE2-N 3.21Å; H127-E157 VanDerWaalsContact NE2-N 3.13Å; H127-A169 HydrophobicContact CB-CB 4.31Å; H127-A169 VanDerWaalsContact CD2-CA 3.47Å; H127-A169 WeakPolarHBondContact CD2-CA 3.43Å; H127-A169 WeakPolarHBondContact NE2-CB 3.2Å
128L97.9Very high97.5Very high7 Ų734 Ų344%0.03720%0.196CC..EExtended strand (participates in β ladder)trans-110113-176.7177.760.4000109.2I103 Q130 A132 F136 K137 V140 L152I103-L128 HydrophobicContact CD1-CD1 4.23Å; I103-L128 HydrophobicContact CG1-CD1 4.01Å; L128-Q130 PolarHBondContact O-N 3.23Å; L128-A132 HydrophobicContact CD1-CB 4.36Å; L128-F136 HydrophobicContact CD1-CD1 3.64Å; L128-F136 HydrophobicContact CD1-CE1 3.35Å; L128-K137 HydrophobicContact CD1-CG 4.34Å; L128-K137 HydrophobicContact CD2-CB 3.96Å; L128-K137 HydrophobicContact CD2-CG 3.79Å; L128-K137 HydrophobicContact CG-CG 4.1Å; L128-V140 HydrophobicContact CD1-CG2 4.36Å; L128-V140 HydrophobicContact CD2-CB 4.42Å; L128-V140 HydrophobicContact CD2-CG1 4.37Å; L128-L152 HydrophobicContact CB-CD2 4.02Å; L128-L152 HydrophobicContact CD2-CD1 4.38Å; L128-L152 HydrophobicContact CD2-CD2 4.06Å
129D97Very high97.4Very high11 Ų1134.5 Ų34.56%0.05920%0.203CC..  trans-54.6130.7-177.2-168-42.4000110.9I103 H104 K131 A132 V159I103-D129 PolarHBondContact O-N 3.23Å; H104-D129 HydrophobicContact CB-CB 3.59Å; D129-K131 PolarHBondContact O-N 2.84Å; D129-K131 VanDerWaalsContact O-N 3.16Å; D129-K131 VanDerWaalsContact OD1-CB 3.28Å; D129-K131 WeakPolarHBondContact OD1-CB 3.4Å; D129-K131 WeakPolarHBondContact OD1-CG 3.36Å; D129-K131 PolarHBondContact OD1-N 3.35Å; D129-A132 VanDerWaalsContact O-CB 3.29Å; D129-A132 WeakPolarHBondContact O-CB 3.31Å; D129-A132 PolarHBondContact O-N 3.47Å; D129-V159 WeakPolarHBondContact OD2-CB 3.24Å; D129-V159 PolarHBondContact OD2-N 3.01Å
130Q95.7Very high97.4Very high105 Ų10534.3 Ų34.349%0.49120%0.202SC..THydrogen-bonded Turntrans-60.1-26.1179.7-176.3172.71.700112.7L128 A132 K137 E157 S158L128-Q130 PolarHBondContact O-N 3.23Å; Q130-A132 VanDerWaalsContact C-N 3.32Å; Q130-K137 WeakPolarHBondContact O-CE 3.41Å; Q130-K137 PolarHBondContact O-NZ 3.18Å; Q130-E157 PolarHBondContact N-O 2.92Å; Q130-S158 PolarHBondContact OE1-OG 2.85Å
131K94.3Very high97.3Very high100 Ų10037.9 Ų37.944%0.43521%0.213SC..THydrogen-bonded Turntrans-80.1-9.3178.3-59.7-178.2-65.4-169.10113.7D129 V159 S242D129-K131 PolarHBondContact O-N 2.84Å; D129-K131 VanDerWaalsContact O-N 3.16Å; D129-K131 VanDerWaalsContact OD1-CB 3.28Å; D129-K131 WeakPolarHBondContact OD1-CB 3.4Å; D129-K131 WeakPolarHBondContact OD1-CG 3.36Å; D129-K131 PolarHBondContact OD1-N 3.35Å; K131-V159 WeakPolarHBondContact CE-O 3.45Å; K131-V159 PolarHBondContact NZ-O 2.96Å; K131-S242 PolarHBondContact NZ-OG 2.92Å
132A95.1Very high97.2Very high9 Ų941.2 Ų41.27%0.07423%0.229CC..SBendtrans-64.1154178.500000111.9H104 L128 D129 Q130 F136 K137H104-A132 WeakPolarHBondContact O-CB 3.23Å; L128-A132 HydrophobicContact CD1-CB 4.36Å; D129-A132 VanDerWaalsContact O-CB 3.29Å; D129-A132 WeakPolarHBondContact O-CB 3.31Å; D129-A132 PolarHBondContact O-N 3.47Å; Q130-A132 VanDerWaalsContact C-N 3.32Å; A132-F136 HydrophobicContact CB-CD1 3.7Å; A132-F136 HydrophobicContact CB-CE1 4.3Å; A132-K137 HydrophobicContact CB-CG 4.29Å; A132-K137 WeakPolarHBondContact O-CE 3.22Å; A132-K137 PolarHBondContact O-NZ 3.14Å
133T96.3Very high97.1Very high94 Ų9441.2 Ų41.258%0.57723%0.229SC*.  trans-66.1151.3-179.966.20000111.5A135 F136 K137T133-A135 VanDerWaalsContact C-N 3.26Å; T133-A135 PolarHBondContact O-N 3.47Å; T133-F136 PolarHBondContact O-N 2.83Å; T133-F136 VanDerWaalsContact O-N 3.16Å; T133-F136 WeakPolarHBondContact OG1-CB 3.43Å; T133-F136 PolarHBondContact OG1-N 3.36Å; T133-K137 WeakPolarHBondContact O-CG 3.48Å; T133-K137 PolarHBondContact O-N 3.44Å
134D96.8Very high97Very high132 Ų13241.6 Ų41.671%0.70623%0.231SC*.Hα-helixtrans-63.6-33.4-179.9-67.5-31.8000112.7K137 G138D134-K137 PolarHBondContact O-N 3.01Å; D134-K137 IonicContact OD1-NZ 3.96Å; D134-G138 PolarHBondContact O-N 2.96Å
135A96.6Very high96.9Very high83 Ų8344.6 Ų44.669%0.68626%0.262SS*.Hα-helixtrans-60.9-46.7172.900000111.8T133 G138 A139T133-A135 VanDerWaalsContact C-N 3.26Å; T133-A135 PolarHBondContact O-N 3.47Å; A135-G138 PolarHBondContact O-N 2.9Å; A135-A139 PolarHBondContact O-N 3.16Å
136F96.6Very high96.8Very high17 Ų1745.4 Ų45.48%0.07527%0.267CS..Hα-helixtrans-62.7-44.9175.9-179.9-101.9000111.2I103 K105 F107 L128 A132 T133 G138 A139 V140I103-F136 HydrophobicContact CB-CZ 4.28Å; I103-F136 HydrophobicContact CD1-CE1 4.15Å; I103-F136 HydrophobicContact CD1-CZ 3.95Å; I103-F136 HydrophobicContact CG1-CE1 4.17Å; I103-F136 HydrophobicContact CG1-CZ 4.2Å; K105-F136 VanDerWaalsContact O-CE2 3.24Å; K105-F136 WeakPolarHBondContact O-CE2 3.44Å; K105-F136 VanDerWaalsContact O-CZ 3.3Å; K105-F136 WeakPolarHBondContact O-CZ 3.3Å; F107-F136 HydrophobicContact CB-CD2 3.94Å; F107-F136 HydrophobicContact CB-CE2 3.88Å; L128-F136 HydrophobicContact CD1-CD1 3.64Å; L128-F136 HydrophobicContact CD1-CE1 3.35Å; A132-F136 HydrophobicContact CB-CD1 3.7Å; A132-F136 HydrophobicContact CB-CE1 4.3Å; T133-F136 PolarHBondContact O-N 2.83Å; T133-F136 VanDerWaalsContact O-N 3.16Å; T133-F136 WeakPolarHBondContact OG1-CB 3.43Å; T133-F136 PolarHBondContact OG1-N 3.36Å; F136-G138 VanDerWaalsContact C-N 3.3Å; F136-G138 PolarHBondContact O-N 3.12Å; F136-A139 PolarHBondContact O-N 2.93Å; F136-V140 HydrophobicContact CD1-CG2 4.3Å; F136-V140 HydrophobicContact CE1-CG2 3.96Å; F136-V140 HydrophobicContact CE2-CG2 4.21Å; F136-V140 HydrophobicContact CZ-CG2 3.91Å; F136-V140 WeakPolarHBondContact O-CG2 3Å; F136-V140 PolarHBondContact O-N 3.48Å
137K97.2Very high96.8Very high41 Ų4145.6 Ų45.618%0.17827%0.268CS..Hα-helixtrans-61-39.3177.2-66.8168.8172.4149.10112.4L128 Q130 A132 T133 D134 K141L128-K137 HydrophobicContact CD1-CG 4.34Å; L128-K137 HydrophobicContact CD2-CB 3.96Å; L128-K137 HydrophobicContact CD2-CG 3.79Å; L128-K137 HydrophobicContact CG-CG 4.1Å; Q130-K137 WeakPolarHBondContact O-CE 3.41Å; Q130-K137 PolarHBondContact O-NZ 3.18Å; A132-K137 HydrophobicContact CB-CG 4.29Å; A132-K137 WeakPolarHBondContact O-CE 3.22Å; A132-K137 PolarHBondContact O-NZ 3.14Å; T133-K137 WeakPolarHBondContact O-CG 3.48Å; T133-K137 PolarHBondContact O-N 3.44Å; D134-K137 PolarHBondContact O-N 3.01Å; D134-K137 IonicContact OD1-NZ 3.96Å; K137-K141 WeakPolarHBondContact O-CB 3.26Å; K137-K141 VanDerWaalsContact O-CG 3.26Å; K137-K141 WeakPolarHBondContact O-CG 3.35Å; K137-K141 PolarHBondContact O-N 2.91Å; K137-K141 VanDerWaalsContact O-N 3.09Å
138G97.1Very high96.7Very high34 Ų3451.9 Ų51.935%0.35131%0.309SS..Hα-helixtrans-62.3-50.3175.800000111.9D134 A135 F136 V140 K141 Q142D134-G138 PolarHBondContact O-N 2.96Å; A135-G138 PolarHBondContact O-N 2.9Å; F136-G138 VanDerWaalsContact C-N 3.3Å; F136-G138 PolarHBondContact O-N 3.12Å; G138-V140 PolarHBondContact O-N 3.02Å; G138-K141 PolarHBondContact O-N 3.35Å; G138-Q142 WeakPolarHBondContact O-CB 3.29Å; G138-Q142 PolarHBondContact O-N 3.49Å
139A96.4Very high96.7Very high23 Ų2352.4 Ų52.419%0.1931%0.312CS..Hα-helixtrans-60.6-43.7179.500000112.5F107 A135 F136 Q142 L143F107-A139 HydrophobicContact CD2-CB 3.7Å; F107-A139 HydrophobicContact CE2-CB 3.77Å; F107-A139 HydrophobicContact CG-CB 4.14Å; F107-A139 HydrophobicContact CZ-CB 4.27Å; A135-A139 PolarHBondContact O-N 3.16Å; F136-A139 PolarHBondContact O-N 2.93Å; A139-Q142 PolarHBondContact O-N 2.85Å; A139-L143 WeakPolarHBondContact O-CB 3.46Å; A139-L143 PolarHBondContact O-N 2.85Å
140V97.8Very high96.8Very high0 Ų052.3 Ų52.30%031%0.312CS..Hα-helixtrans-62.9-44.9176.2174.30000111.2I103 F107 F110 V126 L128 F136 G138 Q142 L143 L144 L152I103-V140 HydrophobicContact CD1-CB 4.43Å; I103-V140 HydrophobicContact CD1-CG1 3.85Å; I103-V140 HydrophobicContact CD1-CG2 3.64Å; F107-V140 HydrophobicContact CD2-CG2 4.1Å; F107-V140 HydrophobicContact CE2-CG2 4.48Å; F110-V140 HydrophobicContact CD1-CG2 4.24Å; F110-V140 HydrophobicContact CE1-CG1 4.15Å; F110-V140 HydrophobicContact CE1-CG2 4.09Å; V126-V140 HydrophobicContact CG1-CG1 4.28Å; L128-V140 HydrophobicContact CD1-CG2 4.36Å; L128-V140 HydrophobicContact CD2-CB 4.42Å; L128-V140 HydrophobicContact CD2-CG1 4.37Å; F136-V140 HydrophobicContact CD1-CG2 4.3Å; F136-V140 HydrophobicContact CE1-CG2 3.96Å; F136-V140 HydrophobicContact CE2-CG2 4.21Å; F136-V140 HydrophobicContact CZ-CG2 3.91Å; F136-V140 WeakPolarHBondContact O-CG2 3Å; F136-V140 PolarHBondContact O-N 3.48Å; G138-V140 PolarHBondContact O-N 3.02Å; V140-Q142 VanDerWaalsContact C-N 3.33Å; V140-Q142 PolarHBondContact O-N 3.37Å; V140-L143 PolarHBondContact O-N 3.13Å; V140-L144 HydrophobicContact CG1-CD1 3.88Å; V140-L144 HydrophobicContact CG1-CG 4.3Å; V140-L144 WeakPolarHBondContact O-CG 3.44Å; V140-L144 PolarHBondContact O-N 2.9Å; V140-L152 HydrophobicContact CG1-CD2 3.95Å
141K97.4Very high96.9Very high114 Ų11450.2 Ų50.250%0.49630%0.301SS..Hα-helixtrans-60.3-44.1177.4-77.4172.3-178.1-177.90112K137 G138 G145 L152K137-K141 WeakPolarHBondContact O-CB 3.26Å; K137-K141 VanDerWaalsContact O-CG 3.26Å; K137-K141 WeakPolarHBondContact O-CG 3.35Å; K137-K141 PolarHBondContact O-N 2.91Å; K137-K141 VanDerWaalsContact O-N 3.09Å; G138-K141 PolarHBondContact O-N 3.35Å; K141-G145 PolarHBondContact O-N 3.01Å; K141-L152 HydrophobicContact CD-CD1 4.44Å; K141-L152 HydrophobicContact CG-CD1 3.56Å
142Q95.8Very high97.1Very high95 Ų9547.6 Ų47.644%0.44429%0.292SS..Hα-helixtrans-63.8-44.1178.7-178.5-179.7300111.1L69 G138 A139 V140 G145L69-Q142 HydrophobicContact CD1-CG 4.38Å; L69-Q142 HydrophobicContact CD2-CB 3.89Å; L69-Q142 VanDerWaalsContact CD2-CD 3.44Å; L69-Q142 HydrophobicContact CD2-CG 3.73Å; L69-Q142 HydrophobicContact CG-CG 4.08Å; G138-Q142 WeakPolarHBondContact O-CB 3.29Å; G138-Q142 PolarHBondContact O-N 3.49Å; A139-Q142 PolarHBondContact O-N 2.85Å; V140-Q142 VanDerWaalsContact C-N 3.33Å; V140-Q142 PolarHBondContact O-N 3.37Å; Q142-G145 PolarHBondContact O-N 3.36Å
143L96.6Very high97.3Very high0 Ų047.5 Ų47.50%029%0.291CS..Hα-helixtrans-56.8-56.3175176.867000111.6Y77 F107 F110 F114 A139 V140 G145 C146 F147Y77-L143 HydrophobicContact CE1-CD1 3.53Å; Y77-L143 WeakPolarHBondContact OH-CD1 3.41Å; F107-L143 HydrophobicContact CE2-CB 4.15Å; F107-L143 HydrophobicContact CE2-CD2 4.12Å; F107-L143 HydrophobicContact CZ-CB 4.23Å; F107-L143 HydrophobicContact CZ-CD2 4.26Å; F110-L143 HydrophobicContact CD1-CD2 4.3Å; F110-L143 HydrophobicContact CE1-CD2 3.64Å; F110-L143 HydrophobicContact CZ-CD2 4.23Å; F114-L143 HydrophobicContact CD1-CD2 4.16Å; A139-L143 WeakPolarHBondContact O-CB 3.46Å; A139-L143 PolarHBondContact O-N 2.85Å; V140-L143 PolarHBondContact O-N 3.13Å; L143-G145 PolarHBondContact O-N 3.33Å; L143-C146 WeakPolarHBondContact O-CB 3.33Å; L143-C146 PolarHBondContact O-N 3.03Å; L143-C146 VanDerWaalsContact O-N 3.15Å; L143-F147 HydrophobicContact CD1-CE2 3.89Å; L143-F147 HydrophobicContact CG-CE2 4.38Å; L143-F147 WeakPolarHBondContact O-CD2 3.39Å; L143-F147 WeakPolarHBondContact O-CE2 3.03Å
144L97.6Very high97.4Very high9 Ų946.7 Ų46.75%0.04729%0.29CS..Hα-helixtrans-66.6-27.4-175.1-61.7179000112.5F114 V126 V140 C146 F147 A150 L152F114-L144 HydrophobicContact CE2-CD2 4.11Å; F114-L144 HydrophobicContact CZ-CD2 4.08Å; V126-L144 HydrophobicContact CB-CD1 3.73Å; V126-L144 HydrophobicContact CG1-CD1 4.25Å; V126-L144 HydrophobicContact CG2-CD1 3.72Å; V126-L144 HydrophobicContact CG2-CD2 3.9Å; V126-L144 HydrophobicContact CG2-CG 4.46Å; V140-L144 HydrophobicContact CG1-CD1 3.88Å; V140-L144 HydrophobicContact CG1-CG 4.3Å; V140-L144 WeakPolarHBondContact O-CG 3.44Å; V140-L144 PolarHBondContact O-N 2.9Å; L144-C146 PolarHBondContact O-N 2.91Å; L144-F147 PolarHBondContact O-N 3.24Å; L144-A150 HydrophobicContact CD2-CB 3.88Å; L144-L152 HydrophobicContact CD1-CD2 3.62Å; L144-L152 HydrophobicContact CD1-CG 3.99Å
145G96.9Very high97.5Very high63 Ų6344.9 Ų44.965%0.64928%0.275SS*.THydrogen-bonded Turntrans-59.1-17.3174.500000114.3K141 Q142 L143K141-G145 PolarHBondContact O-N 3.01Å; Q142-G145 PolarHBondContact O-N 3.36Å; L143-G145 PolarHBondContact O-N 3.33Å
146C96.9Very high97.4Very high17 Ų1746.1 Ų46.112%0.11527%0.265CS..THydrogen-bonded Turntrans-88-7.2176.2-65.70000115.1C74 L143 L144C74-C146 WeakPolarHBondContact CA-SG 3.36Å; C74-C146 HydrophobicContact CB-CB 3.47Å; C74-C146 VanDerWaalsContact CB-CB 3.47Å; C74-C146 WeakPolarHBondContact CB-SG 3.46Å; C74-C146 WeakPolarHBondContact SG-CA 3.32Å; C74-C146 WeakPolarHBondContact SG-CB 3.47Å; C74-C146 CovalentContact SG-SG 2.05Å; C74-C146 PolarHBondContact SG-SG 3.3Å; L143-C146 WeakPolarHBondContact O-CB 3.33Å; L143-C146 PolarHBondContact O-N 3.03Å; L143-C146 VanDerWaalsContact O-N 3.15Å; L144-C146 PolarHBondContact O-N 2.91Å
147F97.9Very high97.5Very high4 Ų447.6 Ų47.62%0.01827%0.272CS..  trans-123.8111.4-173.3-59.8-80000110.4Y77 M78 Y83 F114 Y118 L143 L144 N149 A150Y77-F147 HydrophobicContact CE1-CE2 4.14Å; Y77-F147 HydrophobicContact CE1-CZ 4.16Å; M78-F147 HydrophobicContact CG-CE1 3.76Å; M78-F147 HydrophobicContact CG-CZ 3.87Å; M78-F147 HydrophobicContact SD-CD1 4.12Å; M78-F147 HydrophobicContact SD-CE1 3.74Å; M78-F147 HydrophobicContact SD-CZ 4.39Å; Y83-F147 AromaticContact CD1-CE1 3.52Å; Y83-F147 HydrophobicContact CD1-CE1 3.52Å; Y83-F147 AromaticContact CD1-CZ 3.54Å; Y83-F147 HydrophobicContact CD1-CZ 3.54Å; Y83-F147 HydrophobicContact CD2-CE1 4.35Å; Y83-F147 AromaticContact CD2-CZ 3.85Å; Y83-F147 HydrophobicContact CD2-CZ 3.85Å; Y83-F147 AromaticContact CE1-CE1 3.81Å; Y83-F147 HydrophobicContact CE1-CE1 3.81Å; Y83-F147 HydrophobicContact CE1-CE2 4.22Å; Y83-F147 AromaticContact CE1-CZ 3.41Å; Y83-F147 HydrophobicContact CE1-CZ 3.41Å; Y83-F147 VanDerWaalsContact CE1-CZ 3.41Å; Y83-F147 AromaticContact CE2-CZ 3.73Å; Y83-F147 HydrophobicContact CE2-CZ 3.73Å; Y83-F147 AromaticContact CG-CE1 3.82Å; Y83-F147 HydrophobicContact CG-CE1 3.82Å; Y83-F147 AromaticContact CG-CZ 3.76Å; Y83-F147 HydrophobicContact CG-CZ 3.76Å; Y83-F147 AromaticContact CZ-CZ 3.51Å; F114-F147 HydrophobicContact CD1-CE2 4.43Å; F114-F147 HydrophobicContact CE1-CD1 4.33Å; F114-F147 AromaticContact CE1-CD2 3.55Å; F114-F147 HydrophobicContact CE1-CD2 3.55Å; F114-F147 HydrophobicContact CE1-CE1 4.35Å; F114-F147 AromaticContact CE1-CE2 3.61Å; F114-F147 HydrophobicContact CE1-CE2 3.61Å; F114-F147 AromaticContact CE1-CG 3.93Å; F114-F147 HydrophobicContact CE1-CG 3.93Å; F114-F147 HydrophobicContact CE1-CZ 4.01Å; F114-F147 HydrophobicContact CZ-CB 4.37Å; F114-F147 AromaticContact CZ-CD2 4Å; F114-F147 HydrophobicContact CZ-CD2 4Å; F114-F147 HydrophobicContact CZ-CE2 4.49Å; F114-F147 HydrophobicContact CZ-CG 4.06Å; Y118-F147 HydrophobicContact CD1-CE1 4.38Å; Y118-F147 AromaticContact CD2-CD1 3.88Å; Y118-F147 HydrophobicContact CD2-CD1 3.88Å; Y118-F147 HydrophobicContact CD2-CE1 4.26Å; Y118-F147 HydrophobicContact CD2-CG 4.43Å; Y118-F147 HydrophobicContact CE1-CD1 4.05Å; Y118-F147 HydrophobicContact CE1-CE1 4.12Å; Y118-F147 HydrophobicContact CE2-CB 4.02Å; Y118-F147 AromaticContact CE2-CD1 3.27Å; Y118-F147 HydrophobicContact CE2-CD1 3.27Å; Y118-F147 AromaticContact CE2-CE1 4Å; Y118-F147 HydrophobicContact CE2-CE1 4Å; Y118-F147 AromaticContact CE2-CG 3.9Å; Y118-F147 HydrophobicContact CE2-CG 3.9Å; Y118-F147 HydrophobicContact CG-CD1 4.47Å; Y118-F147 HydrophobicContact CG-CE1 4.45Å; Y118-F147 AromaticContact CZ-CD1 3.37Å; Y118-F147 AromaticContact CZ-CE1 3.92Å; L143-F147 HydrophobicContact CD1-CE2 3.89Å; L143-F147 HydrophobicContact CG-CE2 4.38Å; L143-F147 WeakPolarHBondContact O-CD2 3.39Å; L143-F147 WeakPolarHBondContact O-CE2 3.03Å; L144-F147 PolarHBondContact O-N 3.24Å; F147-N149 PolarHBondContact O-N 3.01Å; F147-A150 HydrophobicContact CB-CB 3.87Å; F147-A150 PolarHBondContact O-N 3.25Å; F147-A150 VanDerWaalsContact O-N 3.13Å
148P96.6Very high97.4Very high132 Ų13246.9 Ų46.986%0.85727%0.273SS*.THydrogen-bonded Turntrans-67.7-21.3-173.527.5-35.2000113.6
149N98.4Very high97.4Very high18 Ų1846.3 Ų46.310%0.09626%0.262CS..THydrogen-bonded Turntrans-100.113.517963.5-31.5000113Y118 M119 P120 N122 V123 Y124 F147Y118-N149 VanDerWaalsContact CE2-OD1 3.26Å; Y118-N149 WeakPolarHBondContact CE2-OD1 3.37Å; Y118-N149 PolarHBondContact OH-OD1 2.94Å; M119-N149 PolarHBondContact O-ND2 3.26Å; M119-N149 VanDerWaalsContact O-ND2 3.1Å; P120-N149 PolarHBondContact O-ND2 2.04Å; N122-N149 WeakPolarHBondContact O-CB 3.48Å; N122-N149 PolarHBondContact O-ND2 3.23Å; V123-N149 WeakPolarHBondContact CA-O 3.35Å; Y124-N149 PolarHBondContact N-O 3.42Å; F147-N149 PolarHBondContact O-N 3.01Å
150A98.6Very high97.4Very high8 Ų845.3 Ų45.37%0.06625%0.253CS..EExtended strand (participates in β ladder)trans-127.3136.7174.500000111.1F114 Y124 L144 F147F114-A150 HydrophobicContact CE2-CB 3.96Å; F114-A150 HydrophobicContact CZ-CB 3.72Å; Y124-A150 HydrophobicContact CD2-CB 4.37Å; Y124-A150 CarbonylContact O-C 3.51Å; Y124-A150 VanDerWaalsContact O-CA 3.29Å; Y124-A150 WeakPolarHBondContact O-CA 3.43Å; L144-A150 HydrophobicContact CD2-CB 3.88Å; F147-A150 HydrophobicContact CB-CB 3.87Å; F147-A150 PolarHBondContact O-N 3.25Å; F147-A150 VanDerWaalsContact O-N 3.13Å
151F98.8Very high97.2Very high61 Ų6152.8 Ų52.827%0.26828%0.283SS..EExtended strand (participates in β ladder)trans-150160.1-175.856-94.3000112.1V123 Y124 C125 V126 D176 L177V123-F151 HydrophobicContact CG2-CE1 3.67Å; V123-F151 HydrophobicContact CG2-CZ 4.44Å; Y124-F151 PolarHBondContact O-N 3.47Å; C125-F151 HydrophobicContact CB-CD2 4.32Å; C125-F151 HydrophobicContact CB-CE2 3.62Å; C125-F151 HydrophobicContact CB-CZ 3.94Å; V126-F151 PolarHBondContact N-O 3.44Å; F151-D176 HydrophobicContact CE2-CB 3.5Å; F151-D176 HydrophobicContact CZ-CB 4.02Å; F151-L177 HydrophobicContact CZ-CD2 4.06Å; F151-L177 HydrophobicContact CZ-CG 4.47Å
152L98.7Very high97.1Very high45 Ų4547.7 Ų47.724%0.23626%0.262CS..EExtended strand (participates in β ladder)trans-78.9142170.8-69.6178.2000110.4V126 L128 V140 K141 L144 S154V126-L152 HydrophobicContact CB-CD2 4.26Å; V126-L152 HydrophobicContact CG1-CD2 4.33Å; V126-L152 WeakPolarHBondContact O-CA 3.38Å; L128-L152 HydrophobicContact CB-CD2 4.02Å; L128-L152 HydrophobicContact CD2-CD1 4.38Å; L128-L152 HydrophobicContact CD2-CD2 4.06Å; V140-L152 HydrophobicContact CG1-CD2 3.95Å; K141-L152 HydrophobicContact CD-CD1 4.44Å; K141-L152 HydrophobicContact CG-CD1 3.56Å; L144-L152 HydrophobicContact CD1-CD2 3.62Å; L144-L152 HydrophobicContact CD1-CG 3.99Å; L152-S154 PolarHBondContact O-N 3.13Å
153A98.6Very high97.2Very high7 Ų743.2 Ų43.26%0.05824%0.242CC..  trans-51.7135.5170.900000111.1V126 H127 K155 D176V126-A153 PolarHBondContact O-N 3.26Å; H127-A153 HydrophobicContact CB-CB 4.33Å; A153-K155 VanDerWaalsContact C-N 3.26Å; A153-K155 PolarHBondContact O-N 2.82Å; A153-D176 WeakPolarHBondContact CA-OD2 3.34Å
154S98.3Very high97.2Very high78 Ų7844.3 Ų44.355%0.54525%0.247SC..SBendtrans-64.4-33.4179.863.90000111.9L152 D176L152-S154 PolarHBondContact O-N 3.13Å; S154-D176 VanDerWaalsContact CB-OD1 3.28Å; S154-D176 WeakPolarHBondContact CB-OD1 3.17Å; S154-D176 PolarHBondContact N-OD2 3.14Å; S154-D176 VanDerWaalsContact OG-CG 3.31Å; S154-D176 PolarHBondContact OG-OD1 3.16Å; S154-D176 PolarHBondContact OG-OD2 3.15Å
155K98.4Very high97.3Very high94 Ų9444.1 Ų44.141%0.40925%0.247SC..SBendtrans-112.6131.7177.3-63.1171.8-166.3161.50110.8A153 N172 E175A153-K155 VanDerWaalsContact C-N 3.26Å; A153-K155 PolarHBondContact O-N 2.82Å; K155-N172 HydrophobicContact CB-CB 4.09Å; K155-N172 WeakPolarHBondContact CB-ND2 3.35Å; K155-N172 PolarHBondContact O-ND2 2.9Å; K155-N172 VanDerWaalsContact O-ND2 3.16Å; K155-E175 IonicContact NZ-OE1 3.41Å; K155-E175 PolarHBondContact NZ-OE1 3.01Å; K155-E175 IonicContact NZ-OE2 2.93Å; K155-E175 PolarHBondContact NZ-OE2 2.59Å
156K95.5Very high97.3Very high108 Ų10842.8 Ų42.847%0.4722%0.222SC..  trans-107.5145.2-177.3-61.3176-172.2166.30110.5
157E97.4Very high97.4Very high49 Ų4942 Ų4223%0.22922%0.217CC..  trans-120.1148.7176.3-57.9-58146.900110.1H127 Q130 V159 Q168 N172H127-E157 PolarHBondContact CE1-N 3.42Å; H127-E157 PolarHBondContact NE2-N 3.21Å; H127-E157 VanDerWaalsContact NE2-N 3.13Å; Q130-E157 PolarHBondContact N-O 2.92Å; E157-V159 HydrophobicContact CB-CG2 4.08Å; E157-V159 PolarHBondContact O-N 2.95Å; E157-Q168 HydrophobicContact CG-CB 4.1Å; E157-Q168 HydrophobicContact CG-CG 3.96Å; E157-Q168 VanDerWaalsContact OE1-CG 3.32Å; E157-Q168 WeakPolarHBondContact OE1-CG 3.32Å; E157-N172 PolarHBondContact OE1-ND2 3.13Å
158S96.5Very high97.4Very high26 Ų2644 Ų4418%0.18223%0.226CC..  trans-89.387.9164-67.70000108.3Q130 V160Q130-S158 PolarHBondContact OE1-OG 2.85Å; S158-V160 PolarHBondContact O-N 3.27Å
159V96.4Very high97.5Very high22 Ų2237.7 Ų37.713%0.13319%0.185CC..  trans-70.1125.1-165.6-179.10000111.6D129 K131 E157 R166 A169D129-V159 WeakPolarHBondContact OD2-CB 3.24Å; D129-V159 PolarHBondContact OD2-N 3.01Å; K131-V159 WeakPolarHBondContact CE-O 3.45Å; K131-V159 PolarHBondContact NZ-O 2.96Å; E157-V159 HydrophobicContact CB-CG2 4.08Å; E157-V159 PolarHBondContact O-N 2.95Å; V159-R166 HydrophobicContact CG1-CB 3.88Å; V159-A169 HydrophobicContact CG2-CB 4.07Å
160V96.3Very high97.5Very high1 Ų137 Ų371%0.00618%0.182CC..  trans-107130.9177.6-1730000109.3S158 G162 G163 S165 E235 L237 V244S158-V160 PolarHBondContact O-N 3.27Å; V160-G162 PolarHBondContact O-N 3.35Å; V160-G163 PolarHBondContact O-N 2.96Å; V160-S165 PolarHBondContact N-OG 3.38Å; V160-E235 HydrophobicContact CB-CG 4.29Å; V160-E235 HydrophobicContact CG2-CG 4.5Å; V160-L237 HydrophobicContact CG2-CD2 3.55Å; V160-V244 HydrophobicContact CG1-CG2 3.99Å
161Y94.3Very high97.5Very high158 Ų15836.9 Ų36.962%0.6218%0.18SC*.THydrogen-bonded Turntrans-60128.7177.6176.2-98.3000111.3G163Y161-G163 PolarHBondContact O-N 3.27Å
162G94.8Very high97.5Very high6 Ų634 Ų346%0.06217%0.167CC..THydrogen-bonded Turntrans71.79.1-177.200000114.5V160 S295V160-G162 PolarHBondContact O-N 3.35Å; G162-S295 WeakPolarHBondContact CA-OG 3.17Å; G162-S295 PolarHBondContact O-N 3.46Å
163G97.1Very high97.5Very high1 Ų131.9 Ų31.91%0.0116%0.156CC..SBendtrans-105.2167.3-179.400000113.7V160 Y161 S165 R166 E235V160-G163 PolarHBondContact O-N 2.96Å; Y161-G163 PolarHBondContact O-N 3.27Å; G163-S165 VanDerWaalsContact C-N 3.25Å; G163-S165 PolarHBondContact O-N 3.17Å; G163-R166 PolarHBondContact O-N 2.96Å; G163-E235 WeakPolarHBondContact CA-OE1 3.31Å
164I98.1Very high97.5Very high23 Ų2331.7 Ų31.712%0.11815%0.154CC..Hα-helixtrans-59.7-32177.9-176.464.3000113.7R166 L167 Q168 E235 L287 K291 P296I164-R166 PolarHBondContact O-N 2.99Å; I164-R166 VanDerWaalsContact O-N 3.08Å; I164-L167 HydrophobicContact CD1-CB 4.19Å; I164-L167 HydrophobicContact CD1-CD2 3.93Å; I164-L167 HydrophobicContact CD1-CG 4.42Å; I164-L167 PolarHBondContact O-N 3.29Å; I164-Q168 PolarHBondContact O-N 3.22Å; I164-E235 HydrophobicContact CG2-CG 4.42Å; I164-E235 PolarHBondContact N-OE1 2.74Å; I164-L287 HydrophobicContact CD1-CD1 4.19Å; I164-K291 WeakPolarHBondContact CB-O 3.49Å; I164-K291 HydrophobicContact CD1-CG 4.42Å; I164-K291 HydrophobicContact CG1-CB 4.35Å; I164-K291 HydrophobicContact CG1-CG 4.15Å; I164-K291 WeakPolarHBondContact CG2-O 3.32Å; I164-P296 HydrophobicContact CB-CG 4.11Å; I164-P296 HydrophobicContact CD1-CB 4.16Å; I164-P296 HydrophobicContact CD1-CG 3.65Å; I164-P296 HydrophobicContact CG1-CG 4.49Å
165S98Very high97.6Very high5 Ų531.8 Ų31.84%0.03515%0.146CC..Hα-helixtrans-56-27.5178.753.70000112.8V160 G163 A169 E235V160-S165 PolarHBondContact N-OG 3.38Å; G163-S165 VanDerWaalsContact C-N 3.25Å; G163-S165 PolarHBondContact O-N 3.17Å; S165-A169 WeakPolarHBondContact O-CB 3.46Å; S165-A169 PolarHBondContact O-N 3.11Å; S165-E235 VanDerWaalsContact CB-OE1 3.3Å; S165-E235 WeakPolarHBondContact CB-OE1 3.07Å; S165-E235 PolarHBondContact N-OE1 3.45Å; S165-E235 PolarHBondContact OG-OE1 3.32Å
166R97.8Very high97.6Very high35 Ų3528.8 Ų28.813%0.13213%0.134CC..Hα-helixtrans-66.5-47.1172.2175.558.8-168.1872.7112.1V159 G163 I164 A169 D170 D297V159-R166 HydrophobicContact CG1-CB 3.88Å; G163-R166 PolarHBondContact O-N 2.96Å; I164-R166 PolarHBondContact O-N 2.99Å; I164-R166 VanDerWaalsContact O-N 3.08Å; R166-A169 PolarHBondContact O-N 2.97Å; R166-D170 IonicContact CZ-OD2 3.14Å; R166-D170 IonicContact NH1-OD1 3.03Å; R166-D170 IonicContact NH1-OD2 2.63Å; R166-D170 PolarHBondContact NH1-OD2 2.78Å; R166-D170 IonicContact NH2-OD2 2.73Å; R166-D170 PolarHBondContact NH2-OD2 3.2Å; R166-D170 VanDerWaalsContact NH2-OD2 3.14Å; R166-D297 HydrophobicContact CG-CB 4.45Å; R166-D297 WeakPolarHBondContact CG-OD2 3.39Å
167L98.5Very high97.7Very high0 Ų023.6 Ų23.60%011%0.112CC..Hα-helixtrans-66.7-40.5175.5173.560.1000110.8I164 A169 D170 L171 L287 P296 D297 F300 W301I164-L167 HydrophobicContact CD1-CB 4.19Å; I164-L167 HydrophobicContact CD1-CD2 3.93Å; I164-L167 HydrophobicContact CD1-CG 4.42Å; I164-L167 PolarHBondContact O-N 3.29Å; L167-A169 VanDerWaalsContact C-N 3.27Å; L167-A169 PolarHBondContact O-N 3.44Å; L167-D170 PolarHBondContact O-N 3.17Å; L167-D170 VanDerWaalsContact O-N 3.16Å; L167-L171 HydrophobicContact CD1-CD1 4.33Å; L167-L171 HydrophobicContact CD1-CG 4.33Å; L167-L171 HydrophobicContact CG-CD1 3.93Å; L167-L171 HydrophobicContact CG-CG 4.4Å; L167-L171 WeakPolarHBondContact O-CG 3.3Å; L167-L171 PolarHBondContact O-N 3.24Å; L167-L287 HydrophobicContact CD2-CD1 3.96Å; L167-P296 HydrophobicContact CB-CG 4.34Å; L167-P296 HydrophobicContact CD2-CB 4.02Å; L167-P296 HydrophobicContact CD2-CG 4.4Å; L167-D297 HydrophobicContact CB-CB 4.19Å; L167-F300 HydrophobicContact CD1-CB 4.44Å; L167-F300 HydrophobicContact CD1-CD1 3.81Å; L167-F300 HydrophobicContact CD1-CE1 4.49Å; L167-F300 HydrophobicContact CD1-CG 4.37Å; L167-F300 HydrophobicContact CD2-CB 3.62Å; L167-F300 HydrophobicContact CD2-CD1 3.86Å; L167-F300 HydrophobicContact CD2-CD2 4.22Å; L167-F300 HydrophobicContact CD2-CG 3.63Å; L167-F300 HydrophobicContact CG-CD1 4.42Å; L167-W301 HydrophobicContact CD1-CD2 4.4Å; L167-W301 VanDerWaalsContact CD1-CE2 3.45Å; L167-W301 HydrophobicContact CD1-CH2 4.12Å; L167-W301 HydrophobicContact CD1-CZ2 3.29Å
168Q98.7Very high97.8Very high47 Ų4722.3 Ų22.322%0.2211%0.107CC..Hα-helixtrans-61.5-35.3178.8-168.76259.300112.2E157 I164 D170 L171 N172E157-Q168 HydrophobicContact CG-CB 4.1Å; E157-Q168 HydrophobicContact CG-CG 3.96Å; E157-Q168 VanDerWaalsContact OE1-CG 3.32Å; E157-Q168 WeakPolarHBondContact OE1-CG 3.32Å; I164-Q168 PolarHBondContact O-N 3.22Å; Q168-D170 PolarHBondContact O-N 3.38Å; Q168-L171 PolarHBondContact O-N 3.46Å; Q168-N172 PolarHBondContact NE2-OD1 3.31Å; Q168-N172 WeakPolarHBondContact O-CB 3.43Å; Q168-N172 PolarHBondContact O-N 2.89Å; Q168-N172 PolarHBondContact O-OD1 2.92Å
169A98.7Very high97.8Very high0 Ų025.1 Ų25.10%013%0.132CC..Hα-helixtrans-58.6-44.2173.900000112.9T102 H127 V159 S165 R166 L167 C173T102-A169 HydrophobicContact CG2-CB 4.2Å; H127-A169 HydrophobicContact CB-CB 4.31Å; H127-A169 VanDerWaalsContact CD2-CA 3.47Å; H127-A169 WeakPolarHBondContact CD2-CA 3.43Å; H127-A169 WeakPolarHBondContact NE2-CB 3.2Å; V159-A169 HydrophobicContact CG2-CB 4.07Å; S165-A169 WeakPolarHBondContact O-CB 3.46Å; S165-A169 PolarHBondContact O-N 3.11Å; R166-A169 PolarHBondContact O-N 2.97Å; L167-A169 VanDerWaalsContact C-N 3.27Å; L167-A169 PolarHBondContact O-N 3.44Å; A169-C173 PolarHBondContact O-N 3.19Å
170D98.6Very high97.9Very high3 Ų325.2 Ų25.22%0.01613%0.134CC..Hα-helixtrans-68.4-40.5175.4-83.9-26.3000111.4T100 R166 L167 Q168 N172 C173 L174 N189 W301T100-D170 PolarHBondContact OG1-OD1 3.22Å; R166-D170 IonicContact CZ-OD2 3.14Å; R166-D170 IonicContact NH1-OD1 3.03Å; R166-D170 IonicContact NH1-OD2 2.63Å; R166-D170 PolarHBondContact NH1-OD2 2.78Å; R166-D170 IonicContact NH2-OD2 2.73Å; R166-D170 PolarHBondContact NH2-OD2 3.2Å; R166-D170 VanDerWaalsContact NH2-OD2 3.14Å; L167-D170 PolarHBondContact O-N 3.17Å; L167-D170 VanDerWaalsContact O-N 3.16Å; Q168-D170 PolarHBondContact O-N 3.38Å; D170-N172 PolarHBondContact O-N 3.4Å; D170-C173 PolarHBondContact O-N 3.33Å; D170-L174 WeakPolarHBondContact O-CB 3.32Å; D170-L174 PolarHBondContact O-N 3.06Å; D170-N189 PolarHBondContact OD2-ND2 3.3Å; D170-W301 HydrophobicContact CB-CZ2 4.11Å
171L98.8Very high97.9Very high6 Ų634.4 Ų34.43%0.03118%0.177CC..Hα-helixtrans-63.5-39.8178-71168.9000112.8L167 Q168 C173 L174 E175 V277 L287 F300 W301L167-L171 HydrophobicContact CD1-CD1 4.33Å; L167-L171 HydrophobicContact CD1-CG 4.33Å; L167-L171 HydrophobicContact CG-CD1 3.93Å; L167-L171 HydrophobicContact CG-CG 4.4Å; L167-L171 WeakPolarHBondContact O-CG 3.3Å; L167-L171 PolarHBondContact O-N 3.24Å; Q168-L171 PolarHBondContact O-N 3.46Å; L171-C173 VanDerWaalsContact C-N 3.33Å; L171-C173 PolarHBondContact O-N 3.43Å; L171-L174 HydrophobicContact CD2-CD2 4.37Å; L171-L174 WeakPolarHBondContact O-CB 3.47Å; L171-L174 PolarHBondContact O-N 3.04Å; L171-E175 PolarHBondContact O-N 3.11Å; L171-V277 HydrophobicContact CD2-CG1 3.59Å; L171-L287 HydrophobicContact CD1-CD1 3.56Å; L171-L287 HydrophobicContact CD1-CD2 3.72Å; L171-L287 HydrophobicContact CD1-CG 4.3Å; L171-F300 HydrophobicContact CD2-CE1 4.26Å; L171-W301 HydrophobicContact CD2-CH2 3.67Å; L171-W301 HydrophobicContact CD2-CZ2 4.5Å; L171-W301 HydrophobicContact CD2-CZ3 4.28Å; L171-W301 HydrophobicContact CG-CH2 4.25Å
172N98.8Very high98.1Very high1 Ų128.5 Ų28.51%0.00516%0.157CC..Hα-helixtrans-61.7-43.9175.9-69.3-10.1000110.7K155 E157 Q168 D170 L174 E175 D176K155-N172 HydrophobicContact CB-CB 4.09Å; K155-N172 WeakPolarHBondContact CB-ND2 3.35Å; K155-N172 PolarHBondContact O-ND2 2.9Å; K155-N172 VanDerWaalsContact O-ND2 3.16Å; E157-N172 PolarHBondContact OE1-ND2 3.13Å; Q168-N172 PolarHBondContact NE2-OD1 3.31Å; Q168-N172 WeakPolarHBondContact O-CB 3.43Å; Q168-N172 PolarHBondContact O-N 2.89Å; Q168-N172 PolarHBondContact O-OD1 2.92Å; D170-N172 PolarHBondContact O-N 3.4Å; N172-L174 VanDerWaalsContact C-N 3.35Å; N172-E175 PolarHBondContact O-N 3.02Å; N172-D176 PolarHBondContact O-N 3.25Å
173C98.8Very high98.2Very high0 Ų031.9 Ų31.90%018%0.178CC..Hα-helixtrans-66.6-37.4173.7-93.80000112.8T100 C125 A169 D170 L171 E175 D176 L177T100-C173 HydrophobicContact CG2-CB 3.61Å; C125-C173 HydrophobicContact CB-CB 3.59Å; C125-C173 WeakPolarHBondContact CB-SG 3.33Å; C125-C173 PolarHBondContact O-SG 3.02Å; C125-C173 WeakPolarHBondContact SG-CA 3.13Å; C125-C173 WeakPolarHBondContact SG-CB 3.38Å; C125-C173 CovalentContact SG-SG 2.04Å; C125-C173 PolarHBondContact SG-SG 3.38Å; A169-C173 PolarHBondContact O-N 3.19Å; D170-C173 PolarHBondContact O-N 3.33Å; L171-C173 VanDerWaalsContact C-N 3.33Å; L171-C173 PolarHBondContact O-N 3.43Å; C173-E175 VanDerWaalsContact C-N 3.3Å; C173-E175 PolarHBondContact O-N 3.48Å; C173-D176 PolarHBondContact O-N 3.2Å; C173-L177 WeakPolarHBondContact O-CB 3.39Å; C173-L177 WeakPolarHBondContact O-CD1 3.26Å; C173-L177 WeakPolarHBondContact O-CG 3.29Å; C173-L177 PolarHBondContact O-N 3.37Å
174L98.7Very high98.3Very high3 Ų332 Ų322%0.01618%0.178CC..Hα-helixtrans-61.1-40.6178.4-165.865.2000111.6D170 L171 N172 L177 V178 V187 A274 V277 L278 W301D170-L174 WeakPolarHBondContact O-CB 3.32Å; D170-L174 PolarHBondContact O-N 3.06Å; L171-L174 HydrophobicContact CD2-CD2 4.37Å; L171-L174 WeakPolarHBondContact O-CB 3.47Å; L171-L174 PolarHBondContact O-N 3.04Å; N172-L174 VanDerWaalsContact C-N 3.35Å; L174-L177 PolarHBondContact O-N 3.3Å; L174-V178 WeakPolarHBondContact O-CB 3.01Å; L174-V178 WeakPolarHBondContact O-CG2 3.48Å; L174-V178 PolarHBondContact O-N 2.89Å; L174-V187 HydrophobicContact CD1-CB 4.43Å; L174-V187 HydrophobicContact CD1-CG1 3.71Å; L174-V187 HydrophobicContact CD1-CG2 4.4Å; L174-A274 HydrophobicContact CD1-CB 3.56Å; L174-A274 HydrophobicContact CD2-CB 4.08Å; L174-A274 HydrophobicContact CG-CB 3.9Å; L174-V277 HydrophobicContact CD2-CB 4.49Å; L174-V277 HydrophobicContact CD2-CG1 4.22Å; L174-L278 HydrophobicContact CG-CD1 4.47Å; L174-W301 HydrophobicContact CD2-CH2 4.16Å; L174-W301 HydrophobicContact CD2-CZ3 4.28Å
175E98.7Very high98.4Very high80 Ų8035.3 Ų35.337%0.37419%0.192SC..Hα-helixtrans-59.2-50.9175.2-170.9178.9178.600111.4K155 L171 N172 C173 L177 V178 A179 L278K155-E175 IonicContact NZ-OE1 3.41Å; K155-E175 PolarHBondContact NZ-OE1 3.01Å; K155-E175 IonicContact NZ-OE2 2.93Å; K155-E175 PolarHBondContact NZ-OE2 2.59Å; L171-E175 PolarHBondContact O-N 3.11Å; N172-E175 PolarHBondContact O-N 3.02Å; C173-E175 VanDerWaalsContact C-N 3.3Å; C173-E175 PolarHBondContact O-N 3.48Å; E175-L177 PolarHBondContact O-N 2.94Å; E175-V178 PolarHBondContact O-N 2.91Å; E175-A179 PolarHBondContact O-N 2.97Å; E175-L278 HydrophobicContact CB-CD1 4.34Å; E175-L278 HydrophobicContact CB-CD2 4.34Å
176D98.8Very high98.4Very high30 Ų3035.4 Ų35.416%0.1619%0.191CC..Hα-helixtrans-66-37.7179-62.4-30.6000112.3F151 A153 S154 N172 C173 A179 S180F151-D176 HydrophobicContact CE2-CB 3.5Å; F151-D176 HydrophobicContact CZ-CB 4.02Å; A153-D176 WeakPolarHBondContact CA-OD2 3.34Å; S154-D176 VanDerWaalsContact CB-OD1 3.28Å; S154-D176 WeakPolarHBondContact CB-OD1 3.17Å; S154-D176 PolarHBondContact N-OD2 3.14Å; S154-D176 VanDerWaalsContact OG-CG 3.31Å; S154-D176 PolarHBondContact OG-OD1 3.16Å; S154-D176 PolarHBondContact OG-OD2 3.15Å; N172-D176 PolarHBondContact O-N 3.25Å; C173-D176 PolarHBondContact O-N 3.2Å; D176-A179 PolarHBondContact O-N 2.9Å; D176-S180 PolarHBondContact O-N 3.04Å
177L98.8Very high98.5Very high0 Ų034 Ų340%019%0.186CC..Hα-helixtrans-67.1-40.2177.6-74168.5000112A98 T100 V123 C125 F151 C173 L174 E175 A179 S180 W184 V187A98-L177 HydrophobicContact CB-CD1 4.16Å; A98-L177 HydrophobicContact CB-CD2 4.01Å; T100-L177 HydrophobicContact CG2-CD1 3.68Å; V123-L177 HydrophobicContact CB-CD2 4.35Å; V123-L177 HydrophobicContact CG1-CD2 3.77Å; V123-L177 HydrophobicContact CG2-CD2 3.84Å; C125-L177 HydrophobicContact CB-CD1 4.05Å; C125-L177 HydrophobicContact CB-CD2 4Å; C125-L177 HydrophobicContact CB-CG 3.79Å; F151-L177 HydrophobicContact CZ-CD2 4.06Å; F151-L177 HydrophobicContact CZ-CG 4.47Å; C173-L177 WeakPolarHBondContact O-CB 3.39Å; C173-L177 WeakPolarHBondContact O-CD1 3.26Å; C173-L177 WeakPolarHBondContact O-CG 3.29Å; C173-L177 PolarHBondContact O-N 3.37Å; L174-L177 PolarHBondContact O-N 3.3Å; E175-L177 PolarHBondContact O-N 2.94Å; L177-A179 PolarHBondContact O-N 3.35Å; L177-S180 WeakPolarHBondContact O-CB 3.46Å; L177-S180 PolarHBondContact O-N 3.14Å; L177-S180 VanDerWaalsContact O-N 3.11Å; L177-W184 HydrophobicContact CB-CZ2 4.14Å; L177-W184 PolarHBondContact O-NE1 3.05Å; L177-V187 HydrophobicContact CD1-CG2 3.79Å
178V98.3Very high98.5Very high21 Ų2134 Ų3413%0.12719%0.187CC..Hα-helixtrans-61-38.1175.5161.80000110.9L174 E175 S180 W184 R271 A274 N275 L278L174-V178 WeakPolarHBondContact O-CB 3.01Å; L174-V178 WeakPolarHBondContact O-CG2 3.48Å; L174-V178 PolarHBondContact O-N 2.89Å; E175-V178 PolarHBondContact O-N 2.91Å; V178-S180 VanDerWaalsContact C-N 3.28Å; V178-S180 PolarHBondContact O-N 2.91Å; V178-W184 HydrophobicContact CG2-CH2 4.27Å; V178-W184 HydrophobicContact CG2-CZ2 3.94Å; V178-R271 PolarHBondContact O-NH2 2.04Å; V178-A274 HydrophobicContact CG2-CB 3.82Å; V178-N275 WeakPolarHBondContact CG1-OD1 3.23Å; V178-L278 HydrophobicContact CB-CD1 4.14Å; V178-L278 HydrophobicContact CG1-CD1 4.47Å; V178-L278 HydrophobicContact CG2-CD1 3.9Å
179A97.6Very high98.5Very high86 Ų8632 Ų3271%0.71118%0.177SC*.Hα-helixtrans-73.4-13.5176.300000114.4E175 D176 L177E175-A179 PolarHBondContact O-N 2.97Å; D176-A179 PolarHBondContact O-N 2.9Å; L177-A179 PolarHBondContact O-N 3.35Å
180S97.7Very high98.4Very high24 Ų2432 Ų3217%0.16818%0.177CC..SBendtrans-63.3143.6177.2-173.90000112.3D176 L177 V178 V182 R271D176-S180 PolarHBondContact O-N 3.04Å; L177-S180 WeakPolarHBondContact O-CB 3.46Å; L177-S180 PolarHBondContact O-N 3.14Å; L177-S180 VanDerWaalsContact O-N 3.11Å; V178-S180 VanDerWaalsContact C-N 3.28Å; V178-S180 PolarHBondContact O-N 2.91Å; S180-V182 PolarHBondContact O-N 2.84Å; S180-V182 PolarHBondContact OG-N 2.92Å; S180-R271 PolarHBondContact O-NH2 3.43Å
181E96.9Very high98.3Very high193 Ų19333 Ų3390%0.90219%0.185SC*.SBendtrans-70.5-18.7173.6-61.5-174.3166.100112.8P183E181-P183 WeakPolarHBondContact O-CD 3.44Å
182V98.2Very high98.2Very high34 Ų3433.1 Ų33.121%0.20619%0.187CC..SBendtrans-64.9122.8178.4179.20000109.1P96 V123 S180 W184P96-V182 HydrophobicContact CB-CG1 3.95Å; V123-V182 HydrophobicContact CB-CB 4.13Å; V123-V182 HydrophobicContact CB-CG1 4.26Å; V123-V182 HydrophobicContact CB-CG2 4.11Å; V123-V182 HydrophobicContact CG1-CB 4.15Å; V123-V182 HydrophobicContact CG1-CG1 4.16Å; S180-V182 PolarHBondContact O-N 2.84Å; S180-V182 PolarHBondContact OG-N 2.92Å; V182-W184 HydrophobicContact CG1-CB 4.39Å; V182-W184 PolarHBondContact O-N 2.88Å
183P97.8Very high98.1Very high78 Ų7834.4 Ų34.451%0.50619%0.193SC..  trans-82.153.7-175.734.9-37.4000111.9E181E181-P183 WeakPolarHBondContact O-CD 3.44Å
184W98.8Very high98Very high3 Ų334.4 Ų34.41%0.01119%0.193CC..  trans-62.3149.1-177.157.7-98.1000112.7P96 A98 V123 L177 V178 V182 V187 R271 A274P96-W184 HydrophobicContact CB-CB 4.34Å; P96-W184 CarbonylContact O-C 3.54Å; P96-W184 VanDerWaalsContact O-CA 3.26Å; P96-W184 WeakPolarHBondContact O-CA 3.32Å; A98-W184 HydrophobicContact CB-CB 4.04Å; A98-W184 HydrophobicContact CB-CD2 3.59Å; A98-W184 HydrophobicContact CB-CE3 3.9Å; A98-W184 HydrophobicContact CB-CG 3.64Å; V123-W184 HydrophobicContact CG1-CB 4.31Å; V123-W184 HydrophobicContact CG1-CG 4.11Å; L177-W184 HydrophobicContact CB-CZ2 4.14Å; L177-W184 PolarHBondContact O-NE1 3.05Å; V178-W184 HydrophobicContact CG2-CH2 4.27Å; V178-W184 HydrophobicContact CG2-CZ2 3.94Å; V182-W184 HydrophobicContact CG1-CB 4.39Å; V182-W184 PolarHBondContact O-N 2.88Å; W184-V187 HydrophobicContact CH2-CB 4.34Å; W184-V187 HydrophobicContact CH2-CG1 4.43Å; W184-V187 HydrophobicContact CZ3-CB 3.99Å; W184-V187 HydrophobicContact CZ3-CG1 4.22Å; W184-R271 HydrophobicContact CD2-CB 4.38Å; W184-R271 HydrophobicContact CD2-CG 4.28Å; W184-R271 HydrophobicContact CE3-CB 3.76Å; W184-R271 HydrophobicContact CE3-CG 4.12Å; W184-R271 HydrophobicContact CH2-CB 3.7Å; W184-R271 HydrophobicContact CH2-CG 3.56Å; W184-R271 HydrophobicContact CZ2-CB 4.29Å; W184-R271 HydrophobicContact CZ2-CG 3.7Å; W184-R271 HydrophobicContact CZ3-CB 3.39Å; W184-R271 HydrophobicContact CZ3-CG 3.77Å; W184-R271 WeakPolarHBondContact O-CD 3.5Å; W184-A274 HydrophobicContact CH2-CB 3.8Å
185K98.8Very high98Very high93 Ų9334.4 Ų34.440%0.40419%0.193SC..SBendtrans-98.3-42.4-172.9-56-53.7-179.5-168.20112.3F95 P96 R271F95-K185 HydrophobicContact CD1-CB 4.15Å; F95-K185 HydrophobicContact CD1-CG 4.26Å; F95-K185 HydrophobicContact CD2-CB 4.24Å; F95-K185 HydrophobicContact CD2-CG 3.83Å; F95-K185 HydrophobicContact CE1-CB 3.85Å; F95-K185 HydrophobicContact CE1-CG 4.39Å; F95-K185 HydrophobicContact CE2-CB 3.94Å; F95-K185 HydrophobicContact CE2-CG 3.98Å; F95-K185 HydrophobicContact CG-CB 4.35Å; F95-K185 HydrophobicContact CG-CG 3.99Å; F95-K185 HydrophobicContact CZ-CB 3.75Å; F95-K185 HydrophobicContact CZ-CG 4.27Å; P96-K185 PolarHBondContact O-N 2.76Å; K185-R271 PolarHBondContact O-N 3.5Å
186Y98.9Very high98Very high6 Ų630.7 Ų30.72%0.02418%0.176CC..EExtended strand (participates in β ladder)trans-134.1141.4179-82.6-97.1000110.3F95 A98 L207 G212 R213 A268 L269 T270F95-Y186 AromaticContact CE1-CD2 3.93Å; F95-Y186 HydrophobicContact CE1-CD2 3.93Å; F95-Y186 AromaticContact CZ-CD2 3.66Å; F95-Y186 HydrophobicContact CZ-CD2 3.66Å; F95-Y186 AromaticContact CZ-CE2 3.91Å; F95-Y186 HydrophobicContact CZ-CE2 3.91Å; A98-Y186 PolarHBondContact N-O 3.49Å; Y186-L207 HydrophobicContact CD1-CD2 4.17Å; Y186-L207 HydrophobicContact CD2-CB 4.29Å; Y186-L207 HydrophobicContact CD2-CD1 4.36Å; Y186-L207 HydrophobicContact CE1-CD2 4.43Å; Y186-L207 HydrophobicContact CE2-CB 4.42Å; Y186-L207 HydrophobicContact CG-CD1 4.04Å; Y186-L207 HydrophobicContact CG-CD2 4.37Å; Y186-G212 VanDerWaalsContact OH-C 3.32Å; Y186-G212 VanDerWaalsContact OH-CA 3.25Å; Y186-G212 WeakPolarHBondContact OH-CA 3.27Å; Y186-G212 PolarHBondContact OH-N 2.86Å; Y186-R213 VanDerWaalsContact CE1-O 3.32Å; Y186-R213 WeakPolarHBondContact CE1-O 3.44Å; Y186-R213 PolarHBondContact OH-N 3.21Å; Y186-R213 VanDerWaalsContact OH-N 3.11Å; Y186-R213 PolarHBondContact OH-O 2.93Å; Y186-A268 HydrophobicContact CD1-CB 4.34Å; Y186-L269 CarbonylContact C-O 3.53Å; Y186-L269 WeakPolarHBondContact CA-O 2.98Å; Y186-T270 HydrophobicContact CD1-CG2 4.27Å; Y186-T270 HydrophobicContact CE1-CG2 3.62Å; Y186-T270 HydrophobicContact CE2-CG2 4.11Å
187V98.9Very high98Very high5 Ų529.7 Ų29.73%0.0317%0.17CC..EExtended strand (participates in β ladder)trans-98.1135.2162.861.90000109.4A98 T100 L174 L177 W184 A268 L269A98-V187 HydrophobicContact CB-CB 3.92Å; A98-V187 HydrophobicContact CB-CG2 4.04Å; A98-V187 CarbonylContact O-C 3.36Å; A98-V187 VanDerWaalsContact O-CA 3.25Å; A98-V187 WeakPolarHBondContact O-CA 3.37Å; T100-V187 HydrophobicContact CG2-CG2 3.81Å; L174-V187 HydrophobicContact CD1-CB 4.43Å; L174-V187 HydrophobicContact CD1-CG1 3.71Å; L174-V187 HydrophobicContact CD1-CG2 4.4Å; L177-V187 HydrophobicContact CD1-CG2 3.79Å; W184-V187 HydrophobicContact CH2-CB 4.34Å; W184-V187 HydrophobicContact CH2-CG1 4.43Å; W184-V187 HydrophobicContact CZ3-CB 3.99Å; W184-V187 HydrophobicContact CZ3-CG1 4.22Å; V187-A268 CarbonylContact O-C 3.48Å; V187-A268 VanDerWaalsContact O-CA 3.28Å; V187-A268 WeakPolarHBondContact O-CA 3.42Å; V187-L269 HydrophobicContact CG1-CB 3.78Å; V187-L269 PolarHBondContact N-O 3.44Å; V187-L269 PolarHBondContact O-N 3.34Å
188I98.9Very high98Very high1 Ų131.4 Ų31.41%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-118.8126.4172.9-57.5162.3000107.6L97 A98 Y99 T100 T190 I203 L207 A268 F364L97-I188 HydrophobicContact CD1-CD1 4.36Å; A98-I188 PolarHBondContact O-N 3.37Å; Y99-I188 WeakPolarHBondContact CA-O 3.2Å; Y99-I188 HydrophobicContact CD1-CB 4.01Å; Y99-I188 HydrophobicContact CE1-CB 3.9Å; Y99-I188 HydrophobicContact CE1-CD1 3.89Å; Y99-I188 HydrophobicContact CE1-CG1 4.48Å; Y99-I188 HydrophobicContact CE1-CG2 4.32Å; T100-I188 PolarHBondContact N-O 3.03Å; I188-T190 HydrophobicContact CG2-CG2 4.5Å; I188-I203 HydrophobicContact CD1-CG2 3.66Å; I188-L207 HydrophobicContact CD1-CD1 4.13Å; I188-A268 HydrophobicContact CG1-CB 4.12Å; I188-F364 HydrophobicContact CD1-CE2 4.46Å; I188-F364 HydrophobicContact CG2-CE2 4.06Å
189N98.5Very high98Very high5 Ų530.4 Ų30.43%0.02717%0.172CC..EExtended strand (participates in β ladder)trans-86.5144174.272.4-21.3000112T100 D170 A265 Y266 V267 R324T100-N189 CarbonylContact O-C 3.6Å; T100-N189 WeakPolarHBondContact O-CA 3.37Å; T100-N189 VanDerWaalsContact OG1-CA 3.29Å; T100-N189 WeakPolarHBondContact OG1-CA 3.35Å; T100-N189 WeakPolarHBondContact OG1-CB 3.26Å; D170-N189 PolarHBondContact OD2-ND2 3.3Å; N189-A265 PolarHBondContact ND2-O 3.23Å; N189-Y266 VanDerWaalsContact OD1-CA 3.29Å; N189-Y266 WeakPolarHBondContact OD1-CA 3.5Å; N189-V267 PolarHBondContact N-O 3.44Å; N189-V267 PolarHBondContact OD1-N 3.47Å; N189-V267 PolarHBondContact OD1-O 2.9Å; N189-R324 PolarHBondContact O-NH2 2.89Å
190T97.9Very high98.1Very high0 Ų026.6 Ų26.60%014%0.139CC..EExtended strand (participates in β ladder)trans-140.1165.3175.464.70000110.1Y99 T100 V101 T102 I188 D194 F364Y99-T190 HydrophobicContact CD1-CG2 4.31Å; T100-T190 PolarHBondContact O-N 2.94Å; T100-T190 PolarHBondContact O-OG1 3.4Å; V101-T190 WeakPolarHBondContact CA-O 3.28Å; T102-T190 PolarHBondContact N-O 3.48Å; I188-T190 HydrophobicContact CG2-CG2 4.5Å; T190-D194 VanDerWaalsContact CA-OD2 3.25Å; T190-D194 WeakPolarHBondContact CA-OD2 3.35Å; T190-D194 WeakPolarHBondContact CB-OD2 3.3Å; T190-F364 HydrophobicContact CG2-CD1 4.29Å; T190-F364 HydrophobicContact CG2-CE1 4.04Å; T190-F364 HydrophobicContact CG2-CZ 4.36Å
191C96.1Very high98.2Very high25 Ų2527.8 Ų27.817%0.16914%0.14CC..EExtended strand (participates in β ladder)trans-122.5166169.3730000111.2T102 L113 Q193 D194 N366T102-C191 VanDerWaalsContact O-CA 3.29Å; T102-C191 WeakPolarHBondContact O-CA 3.37Å; L113-C191 WeakPolarHBondContact CD2-O 3.25Å; C191-Q193 PolarHBondContact O-N 2.99Å; C191-D194 PolarHBondContact N-OD2 3.31Å; C191-D194 WeakPolarHBondContact O-CB 3.4Å; C191-D194 PolarHBondContact O-N 3.31Å; C191-N366 PolarHBondContact SG-ND2 3.3Å
192G95.6Very high98.2Very high8 Ų820.4 Ų20.48%0.08211%0.106CC..THydrogen-bonded Turntrans-62.2-5.2-174.200000116.9T102 T109T102-G192 PolarHBondContact O-N 2.93Å; T102-G192 VanDerWaalsContact O-N 3.13Å; T109-G192 WeakPolarHBondContact CG2-O 3.32Å
193Q96.6Very high98.3Very high27 Ų2719 Ų1913%0.12610%0.097CC..THydrogen-bonded Turntrans-115.513.5176.2-62.5-171.9-86.300112.8C191 K367 F368C191-Q193 PolarHBondContact O-N 2.99Å; Q193-K367 HydrophobicContact CB-CB 4.3Å; Q193-K367 CarbonylContact O-C 3.54Å; Q193-K367 WeakPolarHBondContact O-CA 3.47Å; Q193-F368 PolarHBondContact NE2-O 3.3Å; Q193-F368 VanDerWaalsContact NE2-O 3.15Å; Q193-F368 WeakPolarHBondContact O-CD2 3.35Å; Q193-F368 PolarHBondContact O-N 3.47Å
194D98.4Very high98.3Very high1 Ų115.2 Ų15.21%0.0057%0.073CC..EExtended strand (participates in β ladder)trans-83.4159.9169.9-71.6-34.1000111.6L113 T190 C191 R324 A365 N366L113-D194 WeakPolarHBondContact CD1-O 3.32Å; L113-D194 HydrophobicContact CD2-CB 4.22Å; T190-D194 VanDerWaalsContact CA-OD2 3.25Å; T190-D194 WeakPolarHBondContact CA-OD2 3.35Å; T190-D194 WeakPolarHBondContact CB-OD2 3.3Å; C191-D194 PolarHBondContact N-OD2 3.31Å; C191-D194 WeakPolarHBondContact O-CB 3.4Å; C191-D194 PolarHBondContact O-N 3.31Å; D194-R324 IonicContact OD1-CZ 3.14Å; D194-R324 IonicContact OD1-NE 2.75Å; D194-R324 IonicContact OD1-NH1 2.63Å; D194-R324 IonicContact OD2-CZ 3.54Å; D194-R324 VanDerWaalsContact OD2-CZ 3.28Å; D194-R324 IonicContact OD2-NE 2.87Å; D194-R324 IonicContact OD2-NH1 3.53Å; D194-R324 PolarHBondContact OD2-NH1 2.89Å; D194-R324 IonicContact OD2-NH2 2.69Å; D194-A365 WeakPolarHBondContact CA-O 3.26Å; D194-N366 VanDerWaalsContact OD1-CB 3.26Å; D194-N366 WeakPolarHBondContact OD1-CB 3.19Å; D194-N366 PolarHBondContact OD1-ND2 2.81Å
195F98.7Very high98.3Very high3 Ų318.2 Ų18.21%0.0139%0.087CC..EExtended strand (participates in β ladder)trans-144.6140.4166.9-159.6-95.3000110.9R112 A116 F364 A365 F368 V377 L380 E381R112-F195 HydrophobicContact CB-CE2 4.25Å; A116-F195 HydrophobicContact CB-CE1 4.38Å; A116-F195 HydrophobicContact CB-CE2 3.8Å; A116-F195 HydrophobicContact CB-CZ 3.63Å; F195-F364 CarbonylContact O-C 3.59Å; F195-F364 WeakPolarHBondContact O-CA 3.42Å; F195-A365 PolarHBondContact N-O 2.83Å; F195-A365 VanDerWaalsContact N-O 3.15Å; F195-A365 PolarHBondContact O-N 2.83Å; F195-F368 HydrophobicContact CB-CD2 3.49Å; F195-F368 VanDerWaalsContact CB-CD2 3.49Å; F195-F368 HydrophobicContact CB-CE2 3.33Å; F195-F368 HydrophobicContact CB-CG 4.2Å; F195-F368 HydrophobicContact CB-CZ 3.92Å; F195-V377 HydrophobicContact CD2-CG1 4.23Å; F195-V377 HydrophobicContact CE2-CG1 4.14Å; F195-L380 HydrophobicContact CD1-CB 3.97Å; F195-L380 HydrophobicContact CD1-CD1 4.19Å; F195-L380 HydrophobicContact CE1-CB 3.81Å; F195-E381 HydrophobicContact CE1-CB 4.35Å; F195-E381 HydrophobicContact CE2-CB 4.35Å; F195-E381 HydrophobicContact CZ-CB 3.6Å; F195-E381 HydrophobicContact CZ-CG 3.94Å
196P98.6Very high98.3Very high2 Ų215.6 Ų15.61%0.0137%0.074CC..EExtended strand (participates in β ladder)trans-71.3136.1177.229.1-35.4000112A116 I117 F364A116-P196 HydrophobicContact CB-CG 3.54Å; I117-P196 HydrophobicContact CG2-CB 4.2Å; I117-P196 HydrophobicContact CG2-CG 3.84Å; P196-F364 HydrophobicContact CB-CD1 3.91Å; P196-F364 HydrophobicContact CB-CE1 3.67Å; P196-F364 HydrophobicContact CB-CZ 4.3Å; P196-F364 HydrophobicContact CG-CE1 4.44Å
197L98.6Very high98.3Very high9 Ų915.3 Ų15.35%0.0477%0.073CC..SBendtrans-100.7-9.1171.3-60.6-177.2000112.7A325 L357 L363 A365 L380 R387L197-A325 HydrophobicContact CD1-CB 4.23Å; L197-L357 WeakPolarHBondContact CD1-O 3.38Å; L197-L357 HydrophobicContact CD2-CB 4.25Å; L197-L357 HydrophobicContact CD2-CD2 4.39Å; L197-L363 PolarHBondContact N-O 3.33Å; L197-A365 HydrophobicContact CD1-CB 3.86Å; L197-A365 HydrophobicContact CD2-CB 4.18Å; L197-A365 HydrophobicContact CG-CB 4.01Å; L197-L380 HydrophobicContact CD2-CD1 4.18Å; L197-L380 HydrophobicContact CD2-CD2 4.09Å; L197-R387 PolarHBondContact O-NH1 3.06Å; L197-R387 VanDerWaalsContact O-NH1 3.1Å
198K98.7Very high98.3Very high36 Ų3619 Ų1916%0.1579%0.089CC..SBendtrans-123.3146.2179.6-60.7-62.9174.3-66.50109.8E202 I203 S360 S362 L363 H384K198-E202 VanDerWaalsContact CA-OE2 3.25Å; K198-E202 WeakPolarHBondContact CA-OE2 3.26Å; K198-E202 HydrophobicContact CB-CB 3.9Å; K198-E202 HydrophobicContact CD-CB 4.46Å; K198-E202 WeakPolarHBondContact CD-OE2 3.47Å; K198-I203 HydrophobicContact CB-CG1 3.96Å; K198-S360 PolarHBondContact NZ-O 2.82Å; K198-S362 PolarHBondContact NZ-O 3.37Å; K198-L363 HydrophobicContact CB-CD2 4.32Å; K198-L363 HydrophobicContact CG-CD2 3.93Å; K198-L363 PolarHBondContact N-O 3.23Å; K198-H384 PolarHBondContact O-CD2 3.32Å; K198-H384 PolarHBondContact O-NE2 3.27Å
199T98.8Very high98.2Very high0 Ų027.1 Ų27.10%012%0.12CC..  trans-69.1164.9175.367.70000110.4R201 E202 I203 R387 T388 Q391T199-R201 VanDerWaalsContact C-N 3.32Å; T199-R201 PolarHBondContact O-N 3.35Å; T199-E202 PolarHBondContact N-OE2 2.9Å; T199-E202 PolarHBondContact O-N 3.4Å; T199-E202 VanDerWaalsContact O-N 3.15Å; T199-E202 WeakPolarHBondContact OG1-CB 3.26Å; T199-E202 VanDerWaalsContact OG1-CG 3.25Å; T199-E202 WeakPolarHBondContact OG1-CG 3.14Å; T199-E202 PolarHBondContact OG1-N 2.95Å; T199-E202 VanDerWaalsContact OG1-N 3.17Å; T199-I203 WeakPolarHBondContact O-CG1 3.3Å; T199-I203 PolarHBondContact O-N 3.1Å; T199-R387 HydrophobicContact CG2-CB 3.73Å; T199-T388 WeakPolarHBondContact CG2-OG1 3.47Å; T199-Q391 PolarHBondContact OG1-OE1 3.04Å
200N98.9Very high98.2Very high6 Ų627.8 Ų27.83%0.03212%0.122CC..Hα-helixtrans-57.3-45.8176.3-178.279000111.4E92 M119 N122 E202 I203 V204E92-N200 WeakPolarHBondContact CG-ND2 3.39Å; E92-N200 WeakPolarHBondContact OE1-CB 3.41Å; E92-N200 PolarHBondContact OE1-ND2 3.44Å; M119-N200 HydrophobicContact CE-CB 3.94Å; M119-N200 HydrophobicContact CG-CB 3.83Å; N122-N200 PolarHBondContact ND2-OD1 3.02Å; N200-E202 VanDerWaalsContact C-N 3.34Å; N200-E202 PolarHBondContact O-N 3.32Å; N200-I203 PolarHBondContact O-N 2.71Å; N200-V204 WeakPolarHBondContact O-CG2 3.44Å; N200-V204 PolarHBondContact O-N 2.81Å
201R98.8Very high98.1Very high48 Ų4836.5 Ų36.518%0.18116%0.16CC..Hα-helixtrans-54.7-45.2173-169.3176.6-177.3159.47.6113E91 E92 T199 V204 Q205 Q391 E393E91-R201 IonicContact OE2-NE 3.76Å; E91-R201 IonicContact OE2-NH2 3.11Å; E92-R201 HydrophobicContact CG-CB 4.03Å; E92-R201 HydrophobicContact CG-CG 4.33Å; E92-R201 PolarHBondContact OE1-N 2.9Å; T199-R201 VanDerWaalsContact C-N 3.32Å; T199-R201 PolarHBondContact O-N 3.35Å; R201-V204 PolarHBondContact O-N 2.83Å; R201-Q205 WeakPolarHBondContact O-CB 3.21Å; R201-Q205 VanDerWaalsContact O-CG 3.29Å; R201-Q205 WeakPolarHBondContact O-CG 3.42Å; R201-Q205 PolarHBondContact O-N 2.84Å; R201-Q391 PolarHBondContact NH1-O 3.39Å; R201-E393 IonicContact CZ-OE1 2.78Å; R201-E393 IonicContact NH1-OE1 3.92Å; R201-E393 PolarHBondContact NH1-OE1 2.68Å; R201-E393 IonicContact NH2-OE1 3.28Å; R201-E393 PolarHBondContact NH2-OE1 3.24Å
202E98.8Very high98.2Very high39 Ų3937.2 Ų37.218%0.18217%0.172CC..Hα-helixtrans-66.5-38.3178.3-73.1169.117200112.5K198 T199 N200 Q205 Y206 R387 Q391K198-E202 VanDerWaalsContact CA-OE2 3.25Å; K198-E202 WeakPolarHBondContact CA-OE2 3.26Å; K198-E202 HydrophobicContact CB-CB 3.9Å; K198-E202 HydrophobicContact CD-CB 4.46Å; K198-E202 WeakPolarHBondContact CD-OE2 3.47Å; T199-E202 PolarHBondContact N-OE2 2.9Å; T199-E202 PolarHBondContact O-N 3.4Å; T199-E202 VanDerWaalsContact O-N 3.15Å; T199-E202 WeakPolarHBondContact OG1-CB 3.26Å; T199-E202 VanDerWaalsContact OG1-CG 3.25Å; T199-E202 WeakPolarHBondContact OG1-CG 3.14Å; T199-E202 PolarHBondContact OG1-N 2.95Å; T199-E202 VanDerWaalsContact OG1-N 3.17Å; N200-E202 VanDerWaalsContact C-N 3.34Å; N200-E202 PolarHBondContact O-N 3.32Å; E202-Q205 PolarHBondContact O-N 3.23Å; E202-Y206 VanDerWaalsContact O-CB 3.26Å; E202-Y206 WeakPolarHBondContact O-CB 3.08Å; E202-Y206 PolarHBondContact O-N 3.13Å; E202-R387 IonicContact OE1-CZ 3.79Å; E202-R387 IonicContact OE1-NE 3.87Å; E202-R387 IonicContact OE1-NH2 3.87Å; E202-R387 PolarHBondContact OE1-NH2 2.84Å; E202-R387 IonicContact OE2-CZ 2.85Å; E202-R387 IonicContact OE2-NH1 3.12Å; E202-R387 IonicContact OE2-NH2 3.51Å; E202-R387 PolarHBondContact OE2-NH2 3.43Å; E202-Q391 PolarHBondContact OE1-NE2 3.36Å; E202-Q391 VanDerWaalsContact OE1-NE2 3.08Å
203I98.9Very high98.4Very high3 Ų342.2 Ų42.22%0.01519%0.188CC..Hα-helixtrans-63.3-47.3174-67.5167.4000109.9L97 I188 K198 T199 N200 Q205 Y206 L207 L363 F364L97-I203 HydrophobicContact CD1-CB 4.39Å; L97-I203 HydrophobicContact CD1-CG2 3.63Å; I188-I203 HydrophobicContact CD1-CG2 3.66Å; K198-I203 HydrophobicContact CB-CG1 3.96Å; T199-I203 WeakPolarHBondContact O-CG1 3.3Å; T199-I203 PolarHBondContact O-N 3.1Å; N200-I203 PolarHBondContact O-N 2.71Å; I203-Q205 PolarHBondContact O-N 2.84Å; I203-Y206 WeakPolarHBondContact O-CB 3.27Å; I203-Y206 PolarHBondContact O-N 3.38Å; I203-L207 HydrophobicContact CG2-CD1 3.93Å; I203-L207 HydrophobicContact CG2-CG 4.38Å; I203-L207 WeakPolarHBondContact O-CG 3.4Å; I203-L207 PolarHBondContact O-N 3.11Å; I203-L363 HydrophobicContact CG1-CD2 4.33Å; I203-L363 HydrophobicContact CG2-CD1 4.38Å; I203-F364 HydrophobicContact CD1-CE2 3.91Å; I203-F364 HydrophobicContact CD1-CZ 3.87Å
204V98.9Very high98.4Very high0 Ų041 Ų410%018%0.182CC..Hα-helixtrans-55.3-51.8175.4165.60000110.7E91 E92 F95 L97 N200 R201 Y206 L207 K208E91-V204 HydrophobicContact CG-CG1 4Å; E92-V204 HydrophobicContact CG-CG2 4.44Å; F95-V204 HydrophobicContact CB-CG1 3.63Å; F95-V204 HydrophobicContact CB-CG2 4.3Å; F95-V204 HydrophobicContact CD1-CB 4.28Å; F95-V204 HydrophobicContact CD1-CG1 3.89Å; F95-V204 HydrophobicContact CD1-CG2 4.03Å; F95-V204 HydrophobicContact CG-CG1 3.83Å; L97-V204 HydrophobicContact CD1-CG2 4.21Å; L97-V204 HydrophobicContact CG-CG2 4.39Å; N200-V204 WeakPolarHBondContact O-CG2 3.44Å; N200-V204 PolarHBondContact O-N 2.81Å; R201-V204 PolarHBondContact O-N 2.83Å; V204-Y206 VanDerWaalsContact C-N 3.3Å; V204-Y206 PolarHBondContact O-N 3.09Å; V204-L207 PolarHBondContact O-N 2.6Å; V204-K208 HydrophobicContact CG1-CD 4.19Å; V204-K208 WeakPolarHBondContact O-CG 3.45Å; V204-K208 PolarHBondContact O-N 3.04Å
205Q98.7Very high98.4Very high66 Ų6641 Ų4131%0.30818%0.182SC..Hα-helixtrans-63.7-35.2179.6-72.8176.1-4.800112.6E91 R201 E202 I203 R209E91-Q205 PolarHBondContact OE2-NE2 3.23Å; R201-Q205 WeakPolarHBondContact O-CB 3.21Å; R201-Q205 VanDerWaalsContact O-CG 3.29Å; R201-Q205 WeakPolarHBondContact O-CG 3.42Å; R201-Q205 PolarHBondContact O-N 2.84Å; E202-Q205 PolarHBondContact O-N 3.23Å; I203-Q205 PolarHBondContact O-N 2.84Å; Q205-R209 WeakPolarHBondContact O-CG 3.11Å; Q205-R209 PolarHBondContact O-NE 2.86Å
206Y98.6Very high98.4Very high37 Ų3741.1 Ų41.115%0.14518%0.184CC..Hα-helixtrans-65-50.5175.4-174.6-93.2000111.2E202 I203 V204 K208 R209 F210 I215 G321 L363E202-Y206 VanDerWaalsContact O-CB 3.26Å; E202-Y206 WeakPolarHBondContact O-CB 3.08Å; E202-Y206 PolarHBondContact O-N 3.13Å; I203-Y206 WeakPolarHBondContact O-CB 3.27Å; I203-Y206 PolarHBondContact O-N 3.38Å; V204-Y206 VanDerWaalsContact C-N 3.3Å; V204-Y206 PolarHBondContact O-N 3.09Å; Y206-K208 PolarHBondContact O-N 3.2Å; Y206-R209 VanDerWaalsContact O-CB 3.31Å; Y206-R209 WeakPolarHBondContact O-CB 3.49Å; Y206-R209 PolarHBondContact O-N 2.7Å; Y206-F210 AromaticContact CD1-CE2 3.91Å; Y206-F210 HydrophobicContact CD1-CE2 3.91Å; Y206-F210 HydrophobicContact CE1-CD2 4.33Å; Y206-F210 AromaticContact CE1-CE2 3.37Å; Y206-F210 HydrophobicContact CE1-CE2 3.37Å; Y206-F210 AromaticContact CE1-CZ 3.94Å; Y206-F210 HydrophobicContact CE1-CZ 3.94Å; Y206-F210 AromaticContact CZ-CE2 3.72Å; Y206-F210 WeakPolarHBondContact O-CD2 3.12Å; Y206-I215 HydrophobicContact CE1-CD1 4.09Å; Y206-G321 WeakPolarHBondContact CE1-O 3.44Å; Y206-G321 WeakPolarHBondContact OH-CA 3.41Å; Y206-G321 PolarHBondContact OH-O 2.85Å; Y206-L363 HydrophobicContact CD1-CD1 3.78Å; Y206-L363 HydrophobicContact CD1-CD2 3.86Å; Y206-L363 HydrophobicContact CD1-CG 4.13Å; Y206-L363 HydrophobicContact CD2-CD2 4.19Å; Y206-L363 HydrophobicContact CE1-CD1 4.2Å; Y206-L363 HydrophobicContact CE1-CD2 4.41Å; Y206-L363 HydrophobicContact CE1-CG 4.38Å; Y206-L363 HydrophobicContact CG-CD1 4.47Å; Y206-L363 HydrophobicContact CG-CD2 3.74Å
207L98.7Very high98.3Very high0 Ų041.4 Ų41.40%019%0.185CC..Hα-helixtrans-65-37.3-178.5-68.6174.8000112.7F95 L97 Y186 I188 I203 V204 R209 F210 I215 A268F95-L207 HydrophobicContact CE1-CB 4.02Å; F95-L207 HydrophobicContact CE1-CD1 4.29Å; F95-L207 HydrophobicContact CZ-CB 4.2Å; L97-L207 HydrophobicContact CD2-CD1 3.63Å; Y186-L207 HydrophobicContact CD1-CD2 4.17Å; Y186-L207 HydrophobicContact CD2-CB 4.29Å; Y186-L207 HydrophobicContact CD2-CD1 4.36Å; Y186-L207 HydrophobicContact CE1-CD2 4.43Å; Y186-L207 HydrophobicContact CE2-CB 4.42Å; Y186-L207 HydrophobicContact CG-CD1 4.04Å; Y186-L207 HydrophobicContact CG-CD2 4.37Å; I188-L207 HydrophobicContact CD1-CD1 4.13Å; I203-L207 HydrophobicContact CG2-CD1 3.93Å; I203-L207 HydrophobicContact CG2-CG 4.38Å; I203-L207 WeakPolarHBondContact O-CG 3.4Å; I203-L207 PolarHBondContact O-N 3.11Å; V204-L207 PolarHBondContact O-N 2.6Å; L207-R209 PolarHBondContact O-N 2.91Å; L207-R209 VanDerWaalsContact O-N 3.1Å; L207-F210 WeakPolarHBondContact O-CB 3.49Å; L207-F210 PolarHBondContact O-N 2.91Å; L207-I215 HydrophobicContact CD2-CD1 3.7Å; L207-A268 HydrophobicContact CD2-CB 3.95Å
208K98.5Very high98.1Very high83 Ų8341 Ų4136%0.36118%0.183SC..Hα-helixtrans-54.4-31174.7-78.6178.6179.5178.80113E91 F95 V204 Y206 F210 K211E91-K208 IonicContact OE1-NZ 3.77Å; E91-K208 PolarHBondContact OE1-NZ 2.73Å; F95-K208 HydrophobicContact CD2-CD 4.38Å; F95-K208 HydrophobicContact CD2-CG 3.88Å; F95-K208 HydrophobicContact CE2-CG 3.64Å; F95-K208 HydrophobicContact CZ-CG 4.1Å; V204-K208 HydrophobicContact CG1-CD 4.19Å; V204-K208 WeakPolarHBondContact O-CG 3.45Å; V204-K208 PolarHBondContact O-N 3.04Å; Y206-K208 PolarHBondContact O-N 3.2Å; K208-F210 PolarHBondContact O-N 3.09Å; K208-K211 PolarHBondContact O-N 3.45Å; K208-K211 VanDerWaalsContact O-N 3.16Å
209R97.5Very high98Very high171 Ų17142 Ų4265%0.64519%0.192SC*.THydrogen-bonded Turntrans-65.5-23.1177.8-59.5166.8-168-171.50.5113Q205 Y206 L207 K211Q205-R209 WeakPolarHBondContact O-CG 3.11Å; Q205-R209 PolarHBondContact O-NE 2.86Å; Y206-R209 VanDerWaalsContact O-CB 3.31Å; Y206-R209 WeakPolarHBondContact O-CB 3.49Å; Y206-R209 PolarHBondContact O-N 2.7Å; L207-R209 PolarHBondContact O-N 2.91Å; L207-R209 VanDerWaalsContact O-N 3.1Å; R209-K211 VanDerWaalsContact C-N 3.28Å
210F97.4Very high97.9Very high19 Ų1946.7 Ų46.78%0.08322%0.217CC..THydrogen-bonded Turntrans-80.2-10.8178.9-72.7-98.1000113Y206 L207 K208 G212 R213 I215 M314 T320Y206-F210 AromaticContact CD1-CE2 3.91Å; Y206-F210 HydrophobicContact CD1-CE2 3.91Å; Y206-F210 HydrophobicContact CE1-CD2 4.33Å; Y206-F210 AromaticContact CE1-CE2 3.37Å; Y206-F210 HydrophobicContact CE1-CE2 3.37Å; Y206-F210 AromaticContact CE1-CZ 3.94Å; Y206-F210 HydrophobicContact CE1-CZ 3.94Å; Y206-F210 AromaticContact CZ-CE2 3.72Å; Y206-F210 WeakPolarHBondContact O-CD2 3.12Å; L207-F210 WeakPolarHBondContact O-CB 3.49Å; L207-F210 PolarHBondContact O-N 2.91Å; K208-F210 PolarHBondContact O-N 3.09Å; F210-G212 VanDerWaalsContact C-N 3.33Å; F210-G212 PolarHBondContact O-N 2.9Å; F210-R213 HydrophobicContact CB-CB 4.47Å; F210-R213 VanDerWaalsContact O-CB 3.31Å; F210-R213 WeakPolarHBondContact O-CB 3.48Å; F210-R213 WeakPolarHBondContact O-CG 3.42Å; F210-R213 PolarHBondContact O-N 3.41Å; F210-R213 VanDerWaalsContact O-N 3.1Å; F210-R213 PolarHBondContact O-NE 2.87Å; F210-R213 VanDerWaalsContact O-NE 3.16Å; F210-I215 HydrophobicContact CD1-CD1 3.89Å; F210-I215 HydrophobicContact CD1-CG1 3.67Å; F210-I215 HydrophobicContact CD2-CD1 3.63Å; F210-I215 HydrophobicContact CD2-CG1 4.3Å; F210-I215 HydrophobicContact CE1-CD1 3.81Å; F210-I215 HydrophobicContact CE1-CG1 3.74Å; F210-I215 HydrophobicContact CE2-CD1 3.56Å; F210-I215 HydrophobicContact CE2-CG1 4.38Å; F210-I215 HydrophobicContact CG-CD1 3.81Å; F210-I215 HydrophobicContact CG-CG1 3.97Å; F210-I215 HydrophobicContact CZ-CD1 3.65Å; F210-I215 HydrophobicContact CZ-CG1 4.11Å; F210-M314 HydrophobicContact CD1-SD 4.5Å; F210-T320 HydrophobicContact CE1-CG2 4.26Å; F210-T320 HydrophobicContact CZ-CG2 4.45Å
211K97.4Very high97.7Very high184 Ų18448.6 Ų48.680%0.823%0.229SC*.THydrogen-bonded Turntrans52.446.7173.4-57.5-177.9-179.6-176.40112.8K208 R209K208-K211 PolarHBondContact O-N 3.45Å; K208-K211 VanDerWaalsContact O-N 3.16Å; R209-K211 VanDerWaalsContact C-N 3.28Å
212G97.6Very high97.4Very high40 Ų4048.4 Ų48.441%0.41224%0.235SC..THydrogen-bonded Turntrans78.317.918000000114.5Y186 F210 T270 G312Y186-G212 VanDerWaalsContact OH-C 3.32Å; Y186-G212 VanDerWaalsContact OH-CA 3.25Å; Y186-G212 WeakPolarHBondContact OH-CA 3.27Å; Y186-G212 PolarHBondContact OH-N 2.86Å; F210-G212 VanDerWaalsContact C-N 3.33Å; F210-G212 PolarHBondContact O-N 2.9Å; G212-T270 WeakPolarHBondContact O-CG2 3.29Å; G212-G312 VanDerWaalsContact O-CA 3.26Å; G212-G312 WeakPolarHBondContact O-CA 3.38Å
213R98.4Very high97.2Very high113 Ų11354 Ų5443%0.42627%0.266SS..  trans-95.4145.3170.9-66-179.5-72.2-171.10.1111.6Y186 F210 G312 M314Y186-R213 VanDerWaalsContact CE1-O 3.32Å; Y186-R213 WeakPolarHBondContact CE1-O 3.44Å; Y186-R213 PolarHBondContact OH-N 3.21Å; Y186-R213 VanDerWaalsContact OH-N 3.11Å; Y186-R213 PolarHBondContact OH-O 2.93Å; F210-R213 HydrophobicContact CB-CB 4.47Å; F210-R213 VanDerWaalsContact O-CB 3.31Å; F210-R213 WeakPolarHBondContact O-CB 3.48Å; F210-R213 WeakPolarHBondContact O-CG 3.42Å; F210-R213 PolarHBondContact O-N 3.41Å; F210-R213 VanDerWaalsContact O-N 3.1Å; F210-R213 PolarHBondContact O-NE 2.87Å; F210-R213 VanDerWaalsContact O-NE 3.16Å; R213-G312 CarbonylContact C-O 3.49Å; R213-G312 VanDerWaalsContact CA-O 3.31Å; R213-G312 WeakPolarHBondContact CA-O 3.32Å; R213-M314 HydrophobicContact CB-CG 3.9Å; R213-M314 HydrophobicContact CB-SD 3.97Å; R213-M314 HydrophobicContact CG-CG 4.32Å
214N98.6Very high96.8Very high0 Ų060.6 Ų60.60%030%0.296CS..  trans-77.6156.9177.7-44.1-56.6000110.6A268 L269 T270 F273 N305 P311 G312N214-A268 WeakPolarHBondContact CA-O 3.21Å; N214-L269 HydrophobicContact CB-CD2 4.01Å; N214-T270 WeakPolarHBondContact OD1-CG2 3.41Å; N214-T270 PolarHBondContact OD1-N 3.02Å; N214-T270 PolarHBondContact OD1-OG1 3.18Å; N214-F273 WeakPolarHBondContact ND2-CD2 3.47Å; N214-F273 WeakPolarHBondContact ND2-CG 3.32Å; N214-F273 VanDerWaalsContact OD1-CB 3.32Å; N214-F273 WeakPolarHBondContact OD1-CB 3.47Å; N214-N305 WeakPolarHBondContact CB-OD1 3.28Å; N214-N305 PolarHBondContact ND2-OD1 2.98Å; N214-P311 PolarHBondContact ND2-O 3.2Å; N214-G312 PolarHBondContact N-O 2.64Å; N214-G312 VanDerWaalsContact ND2-C 3.28Å; N214-G312 PolarHBondContact ND2-O 3.41Å
215I98.4Very high96.6Very high1 Ų160.7 Ų60.71%0.00530%0.297CS..BIsolated β-bridgetrans-117.1102.9178.8-49.5-179.3000108.1Y206 L207 F210 V267 A268 G321 L323Y206-I215 HydrophobicContact CE1-CD1 4.09Å; L207-I215 HydrophobicContact CD2-CD1 3.7Å; F210-I215 HydrophobicContact CD1-CD1 3.89Å; F210-I215 HydrophobicContact CD1-CG1 3.67Å; F210-I215 HydrophobicContact CD2-CD1 3.63Å; F210-I215 HydrophobicContact CD2-CG1 4.3Å; F210-I215 HydrophobicContact CE1-CD1 3.81Å; F210-I215 HydrophobicContact CE1-CG1 3.74Å; F210-I215 HydrophobicContact CE2-CD1 3.56Å; F210-I215 HydrophobicContact CE2-CG1 4.38Å; F210-I215 HydrophobicContact CG-CD1 3.81Å; F210-I215 HydrophobicContact CG-CG1 3.97Å; F210-I215 HydrophobicContact CZ-CD1 3.65Å; F210-I215 HydrophobicContact CZ-CG1 4.11Å; I215-V267 WeakPolarHBondContact O-CA 3.1Å; I215-A268 HydrophobicContact CB-CB 4.1Å; I215-A268 HydrophobicContact CD1-CB 4.22Å; I215-A268 HydrophobicContact CG1-CB 4.31Å; I215-A268 PolarHBondContact N-O 3.34Å; I215-A268 PolarHBondContact O-N 3.43Å; I215-G321 VanDerWaalsContact CG2-CA 3.41Å; I215-L323 HydrophobicContact CB-CD1 4.05Å; I215-L323 HydrophobicContact CB-CD2 4.36Å; I215-L323 HydrophobicContact CB-CG 4.42Å; I215-L323 HydrophobicContact CD1-CD2 4.17Å; I215-L323 HydrophobicContact CG2-CD1 3.72Å; I215-L323 HydrophobicContact CG2-CD2 4Å; I215-L323 HydrophobicContact CG2-CG 3.75Å
216T97.4Very high96.4Very high7 Ų760.6 Ų60.64%0.04330%0.301CS..  trans-133.183.5177.963.90000108.6G218 V267 L269 W301 N305T216-G218 PolarHBondContact O-N 2.98Å; T216-V267 HydrophobicContact CG2-CB 4.31Å; T216-V267 HydrophobicContact CG2-CG1 3.87Å; T216-L269 HydrophobicContact CG2-CD2 3.79Å; T216-W301 HydrophobicContact CG2-CB 4.11Å; T216-N305 HydrophobicContact CG2-CB 3.92Å; T216-N305 VanDerWaalsContact OG1-CB 3.3Å; T216-N305 WeakPolarHBondContact OG1-CB 3.12Å; T216-N305 PolarHBondContact OG1-ND2 3.01Å
217P96.2Very high96.3Very high7 Ų760 Ų605%0.04531%0.306CS..  trans-58.8129.2-179.3-20.932.4000110.2G263 T264 W319P217-G263 WeakPolarHBondContact O-CA 3.04Å; P217-T264 PolarHBondContact O-N 2.79Å; P217-W319 HydrophobicContact CB-CD2 4.29Å; P217-W319 HydrophobicContact CB-CG 4.14Å
218G95.6Very high96.3Very high0 Ų062.6 Ų62.60%032%0.315CS..EExtended strand (participates in β ladder)trans175.8165.1179.800000114.4T216 F262 R306 S318 W319T216-G218 PolarHBondContact O-N 2.98Å; G218-F262 CarbonylContact C-O 3.58Å; G218-F262 WeakPolarHBondContact CA-O 3.06Å; G218-R306 PolarHBondContact O-NH2 2.75Å; G218-S318 PolarHBondContact N-O 3.39Å; G218-S318 VanDerWaalsContact N-O 3.13Å; G218-S318 CarbonylContact O-C 3.59Å; G218-S318 WeakPolarHBondContact O-CA 3.06Å; G218-W319 VanDerWaalsContact CA-CZ3 3.42Å
219V96Very high96.3Very high57 Ų5759.6 Ų59.635%0.34530%0.304SS..EExtended strand (participates in β ladder)trans-133.2179.6-178.2-710000110.7Y261 F262 W319V219-Y261 CarbonylContact O-C 3.51Å; V219-Y261 WeakPolarHBondContact O-CA 3.34Å; V219-Y261 WeakPolarHBondContact O-CD1 2.98Å; V219-F262 PolarHBondContact N-O 3.07Å; V219-F262 PolarHBondContact O-N 3Å; V219-F262 VanDerWaalsContact O-O 3.13Å; V219-W319 HydrophobicContact CB-CZ3 4.31Å; V219-W319 HydrophobicContact CG1-CE3 3.91Å; V219-W319 HydrophobicContact CG1-CZ3 4.11Å; V219-W319 HydrophobicContact CG2-CE3 4.38Å; V219-W319 HydrophobicContact CG2-CZ3 3.72Å
220L96.2Very high96.3Very high100 Ų10056.5 Ų56.552%0.52430%0.295SS..SBendtrans-59.1155.4166.3-70.6172.7000110.6P222 V259 Y261L220-P222 WeakPolarHBondContact O-CD 3.49Å; L220-P222 VanDerWaalsContact O-N 3.17Å; L220-V259 HydrophobicContact CD2-CG1 3.62Å; L220-Y261 HydrophobicContact CD2-CD1 4.09Å; L220-Y261 HydrophobicContact CD2-CE1 3.65Å; L220-Y261 HydrophobicContact CD2-CE2 4.42Å; L220-Y261 HydrophobicContact CG-CD1 4.47Å; L220-Y261 HydrophobicContact CG-CE1 4.04Å
221P94.4Very high96.3Very high45 Ų4558.3 Ų58.329%0.29230%0.302SS..PPolyproline II helixtrans-58.3120.4-172.8-21.132.1000111.1V226 I260 F262P221-V226 HydrophobicContact CB-CG2 4.39Å; P221-I260 VanDerWaalsContact CD-O 3.23Å; P221-I260 WeakPolarHBondContact CD-O 3.27Å; P221-I260 VanDerWaalsContact CG-O 3.23Å; P221-I260 WeakPolarHBondContact CG-O 3.34Å; P221-F262 HydrophobicContact CB-CD2 3.7Å; P221-F262 HydrophobicContact CB-CE2 4.11Å; P221-F262 HydrophobicContact CG-CD2 3.91Å; P221-F262 HydrophobicContact CG-CE2 4.31Å
222P93.3Very high96.4Very high45 Ų4550 Ų5029%0.29227%0.266SS..PPolyproline II helixtrans-69.4159.5168.930.1-35.5000110.3L220 H224 A225 V226L220-P222 WeakPolarHBondContact O-CD 3.49Å; L220-P222 VanDerWaalsContact O-N 3.17Å; P222-H224 WeakPolarHBondContact CG-CE1 3.32Å; P222-H224 PolarHBondContact O-N 3.15Å; P222-H224 VanDerWaalsContact O-N 3.1Å; P222-A225 HydrophobicContact CG-CB 3.8Å; P222-A225 WeakPolarHBondContact O-CA 3.36Å; P222-A225 WeakPolarHBondContact O-CB 2.87Å; P222-A225 PolarHBondContact O-N 2.94Å; P222-V226 PolarHBondContact O-N 3.29Å
223D94.4Very high96.4Very high156 Ų15648.6 Ų48.683%0.83425%0.249SC*.Hα-helixtrans-51.7-40.8-174.6-69.5-17.3000113.5A225 V226D223-A225 PolarHBondContact O-N 3.44Å; D223-V226 PolarHBondContact O-N 2.68Å
224H90.8Very high96.3Very high142 Ų14247.9 Ų47.966%0.65725%0.25SS*.Hα-helixtrans-68.9-21.2179.667.8-99.4000113.5P222P222-H224 WeakPolarHBondContact CG-CE1 3.32Å; P222-H224 PolarHBondContact O-N 3.15Å; P222-H224 VanDerWaalsContact O-N 3.1Å
225A95.2Very high96.2Very high1 Ų150.7 Ų50.71%0.00826%0.264CS..Hα-helixtrans-91.3-21.8-179.500000112.9P222 D223 G227 R228 F262P222-A225 HydrophobicContact CG-CB 3.8Å; P222-A225 WeakPolarHBondContact O-CA 3.36Å; P222-A225 WeakPolarHBondContact O-CB 2.87Å; P222-A225 PolarHBondContact O-N 2.94Å; D223-A225 PolarHBondContact O-N 3.44Å; A225-G227 PolarHBondContact O-N 3.45Å; A225-G227 VanDerWaalsContact O-N 3.12Å; A225-R228 WeakPolarHBondContact O-CB 3.34Å; A225-R228 WeakPolarHBondContact O-CG 3.45Å; A225-R228 PolarHBondContact O-N 3.11Å; A225-F262 HydrophobicContact CB-CD1 3.87Å; A225-F262 HydrophobicContact CB-CD2 4.02Å; A225-F262 HydrophobicContact CB-CE1 3.97Å; A225-F262 HydrophobicContact CB-CE2 4.1Å; A225-F262 HydrophobicContact CB-CG 3.88Å; A225-F262 HydrophobicContact CB-CZ 4.07Å
226V94.9Very high95.9Very high65 Ų6553.5 Ų53.539%0.39428%0.279SS..Hα-helixtrans-53.4-39.3-178.31770000112.1P221 P222 D223 R228 T229 K230P221-V226 HydrophobicContact CB-CG2 4.39Å; P222-V226 PolarHBondContact O-N 3.29Å; D223-V226 PolarHBondContact O-N 2.68Å; V226-R228 PolarHBondContact O-N 2.63Å; V226-T229 PolarHBondContact O-N 2.98Å; V226-K230 VanDerWaalsContact O-CB 3.25Å; V226-K230 WeakPolarHBondContact O-CB 3.41Å; V226-K230 PolarHBondContact O-N 3.26Å; V226-K230 VanDerWaalsContact O-N 3.11Å
227G96.5Very high95.6Very high24 Ų2458.7 Ų58.725%0.24731%0.305CS..Hα-helixtrans-61.9-26178.800000114.3A225 T229 H233A225-G227 PolarHBondContact O-N 3.45Å; A225-G227 VanDerWaalsContact O-N 3.12Å; G227-T229 VanDerWaalsContact C-N 3.34Å; G227-T229 PolarHBondContact O-N 3.05Å; G227-H233 PolarHBondContact O-CE1 2.75Å
228R97.6Very high95Very high55 Ų5562 Ų6221%0.20832%0.322CS..Hα-helixtrans-71.5-27.7-173.8-61.7-178.1174.3-166.23.8113.3A225 V226 H233 F262 T293 Y294 E298A225-R228 WeakPolarHBondContact O-CB 3.34Å; A225-R228 WeakPolarHBondContact O-CG 3.45Å; A225-R228 PolarHBondContact O-N 3.11Å; V226-R228 PolarHBondContact O-N 2.63Å; R228-H233 PolarHBondContact O-CE1 2.88Å; R228-H233 PolarHBondContact O-ND1 2.92Å; R228-F262 HydrophobicContact CB-CE1 4.38Å; R228-F262 HydrophobicContact CB-CZ 4.1Å; R228-T293 WeakPolarHBondContact O-CB 3.4Å; R228-Y294 HydrophobicContact CG-CD1 3.87Å; R228-Y294 HydrophobicContact CG-CG 4.35Å; R228-Y294 PolarHBondContact O-N 3.39Å; R228-E298 IonicContact CZ-OE2 3.91Å; R228-E298 IonicContact NH1-OE2 3.79Å; R228-E298 PolarHBondContact NH1-OE2 3.36Å
229T97.8Very high93.6Very high20 Ų2071.4 Ų71.412%0.12337%0.366CS..Hα-helixtrans-114.6-10.8179.249.60000113.5V226 G227 K251 I260 F262 W289 T293V226-T229 PolarHBondContact O-N 2.98Å; G227-T229 VanDerWaalsContact C-N 3.34Å; G227-T229 PolarHBondContact O-N 3.05Å; T229-K251 WeakPolarHBondContact O-CD 3.35Å; T229-I260 HydrophobicContact CG2-CG2 4.37Å; T229-F262 HydrophobicContact CG2-CE2 4.09Å; T229-F262 HydrophobicContact CG2-CZ 3.77Å; T229-W289 HydrophobicContact CG2-CH2 3.8Å; T229-W289 HydrophobicContact CG2-CZ3 4.1Å; T229-T293 HydrophobicContact CG2-CG2 4.13Å
230K97.6Very high92.4Very high106 Ų10677.5 Ų77.546%0.46139%0.388SS..Hα-helixtrans-74-34.9173.6-179.9173.2177.9178.70113.2V226 L250 K251V226-K230 VanDerWaalsContact O-CB 3.25Å; V226-K230 WeakPolarHBondContact O-CB 3.41Å; V226-K230 PolarHBondContact O-N 3.26Å; V226-K230 VanDerWaalsContact O-N 3.11Å; K230-L250 HydrophobicContact CG-CD2 3.85Å; K230-L250 WeakPolarHBondContact O-CA 3.49Å; K230-K251 PolarHBondContact O-N 3.26Å
231Y98.3Very high91.9Very high57 Ų5778.6 Ų78.622%0.22439%0.394CS..EExtended strand (participates in β ladder)trans-114.5151.8-175.3-63.4-86.5000111.6H233 K246 K249 L250 K251Y231-H233 PolarHBondContact O-CE1 3.22Å; Y231-H233 VanDerWaalsContact O-CE1 3.29Å; Y231-H233 PolarHBondContact O-ND1 3.26Å; Y231-K246 HydrophobicContact CD2-CD 4.48Å; Y231-K246 VanDerWaalsContact CG-CE 3.46Å; Y231-K249 CarbonylContact C-O 3.55Å; Y231-K249 WeakPolarHBondContact CA-O 3.36Å; Y231-L250 HydrophobicContact CD1-CD2 3.96Å; Y231-L250 HydrophobicContact CE1-CD2 3.64Å; Y231-K251 WeakPolarHBondContact O-CD 3.39Å
232V98.5Very high91.8Very high8 Ų877.6 Ų77.65%0.04839%0.388CS..EExtended strand (participates in β ladder)trans-70.1131.8170.5169.80000108.5Q234 T247 K249 K251 D292V232-Q234 HydrophobicContact CG1-CG 4.43Å; V232-T247 WeakPolarHBondContact CB-OG1 3.41Å; V232-T247 HydrophobicContact CG1-CG2 4.42Å; V232-T247 WeakPolarHBondContact O-CB 3.4Å; V232-T247 WeakPolarHBondContact O-CG2 3.41Å; V232-T247 PolarHBondContact O-N 3.41Å; V232-T247 PolarHBondContact O-OG1 3.35Å; V232-K249 HydrophobicContact CB-CB 4.19Å; V232-K249 HydrophobicContact CB-CG 4.43Å; V232-K249 HydrophobicContact CG2-CB 4.2Å; V232-K249 HydrophobicContact CG2-CD 3.95Å; V232-K249 HydrophobicContact CG2-CG 3.9Å; V232-K249 PolarHBondContact N-O 3.16Å; V232-K251 HydrophobicContact CG2-CG 3.71Å; V232-D292 CarbonylContact C-O 3.5Å; V232-D292 WeakPolarHBondContact CA-O 3.41Å; V232-D292 HydrophobicContact CG1-CB 4.11Å
233H98.3Very high91.8Very high12 Ų1281.3 Ų81.36%0.05640%0.398CS..EExtended strand (participates in β ladder)trans-117.4145.6174.9-6578.5000109.6G227 R228 Y231 V244 I245 D292G227-H233 PolarHBondContact O-CE1 2.75Å; R228-H233 PolarHBondContact O-CE1 2.88Å; R228-H233 PolarHBondContact O-ND1 2.92Å; Y231-H233 PolarHBondContact O-CE1 3.22Å; Y231-H233 VanDerWaalsContact O-CE1 3.29Å; Y231-H233 PolarHBondContact O-ND1 3.26Å; H233-V244 HydrophobicContact CB-CG1 3.7Å; H233-I245 CarbonylContact C-O 3.59Å; H233-I245 WeakPolarHBondContact CA-O 3.4Å; H233-D292 PolarHBondContact N-O 3.2Å; H233-D292 CarbonylContact O-C 3.59Å; H233-D292 VanDerWaalsContact O-CA 3.3Å; H233-D292 WeakPolarHBondContact O-CA 3.43Å; H233-D292 WeakPolarHBondContact O-CB 3.26Å
234Q96.6Very high92Very high97 Ų9775 Ų7545%0.45336%0.364SS..EExtended strand (participates in β ladder)trans-126.6127.7-178-63.6178-15.100109.7V232 V244 I245 T247V232-Q234 HydrophobicContact CG1-CG 4.43Å; Q234-V244 WeakPolarHBondContact O-CA 3.44Å; Q234-I245 HydrophobicContact CB-CD1 4.42Å; Q234-I245 HydrophobicContact CB-CG1 3.93Å; Q234-I245 PolarHBondContact N-O 3.14Å; Q234-I245 PolarHBondContact O-N 2.65Å; Q234-T247 HydrophobicContact CG-CG2 4.08Å
235E95.8Very high92.2Very high60 Ų6070.8 Ų70.828%0.2835%0.346SS..EExtended strand (participates in β ladder)trans-71.3126.8166.6-71-170.5160.500109.5V160 G163 I164 S165 V244V160-E235 HydrophobicContact CB-CG 4.29Å; V160-E235 HydrophobicContact CG2-CG 4.5Å; G163-E235 WeakPolarHBondContact CA-OE1 3.31Å; I164-E235 HydrophobicContact CG2-CG 4.42Å; I164-E235 PolarHBondContact N-OE1 2.74Å; S165-E235 VanDerWaalsContact CB-OE1 3.3Å; S165-E235 WeakPolarHBondContact CB-OE1 3.07Å; S165-E235 PolarHBondContact N-OE1 3.45Å; S165-E235 PolarHBondContact OG-OE1 3.32Å; E235-V244 HydrophobicContact CG-CG2 4.03Å
236L93.3Very high92.3Very high60 Ų6076.4 Ų76.431%0.31437%0.371SS..EExtended strand (participates in β ladder)trans-111.3114171.6-61.9-178.9000108.5S242 Y243 I245L236-S242 VanDerWaalsContact O-CA 3.3Å; L236-S242 WeakPolarHBondContact O-CA 3.49Å; L236-S242 WeakPolarHBondContact O-CB 3.22Å; L236-Y243 HydrophobicContact CB-CD1 4.48Å; L236-Y243 HydrophobicContact CB-CE1 4.22Å; L236-Y243 HydrophobicContact CD1-CE1 4.27Å; L236-Y243 HydrophobicContact CD1-CE2 4.04Å; L236-Y243 PolarHBondContact N-O 2.94Å; L236-Y243 PolarHBondContact O-N 2.92Å; L236-Y243 VanDerWaalsContact O-N 3.1Å; L236-I245 HydrophobicContact CD1-CB 4.49Å; L236-I245 HydrophobicContact CD1-CD1 3.87Å; L236-I245 HydrophobicContact CD1-CG1 3.94Å; L236-I245 HydrophobicContact CD1-CG2 3.73Å; L236-I245 HydrophobicContact CG-CD1 4.39Å; L236-I245 HydrophobicContact CG-CG1 4.18Å
237L90.4Very high92.5Very high116 Ų11674.7 Ų74.761%0.60736%0.36SS*.  trans-82.1120.7174.2-65.1176.5000109.1V160V160-L237 HydrophobicContact CG2-CD2 3.55Å
238D83.3Confident92.5Very high75 Ų7580.1 Ų80.140%0.40139%0.389SS..  trans-127.9150.7169.217449.3000109.2K240 N241 S242D238-K240 PolarHBondContact O-N 2.72Å; D238-K240 PolarHBondContact OD2-N 2.97Å; D238-N241 PolarHBondContact OD2-N 3.28Å; D238-S242 PolarHBondContact O-OG 3.26Å; D238-S242 VanDerWaalsContact O-OG 3.13Å
239H66.8Low92.5Very high199 Ų19984.1 Ų84.192%0.92141%0.408SS*.SBendtrans-67.3-23.4-178.7-67.8-67.9000113.1
240K71.4Confident92.6Very high185 Ų18588.1 Ų88.180%0.80443%0.428SS*.SBendtrans-107.2-50179.2-67.6-177.3179.2179.80111.8D238D238-K240 PolarHBondContact O-N 2.72Å; D238-K240 PolarHBondContact OD2-N 2.97Å
241N84.3Confident92.6Very high122 Ų12284.5 Ų84.565%0.65241%0.412SS*.  trans-137.788.1-173.6-65.7-42.1000110.7D238 Y243D238-N241 PolarHBondContact OD2-N 3.28Å; N241-Y243 VanDerWaalsContact O-CD1 3.31Å; N241-Y243 WeakPolarHBondContact O-CD1 3.31Å
242S92.6Very high92.5Very high24 Ų2486.6 Ų86.617%0.16843%0.431CS..  trans-71.3139.6170.1-33.60000110.3K131 L236 D238K131-S242 PolarHBondContact NZ-OG 2.92Å; L236-S242 VanDerWaalsContact O-CA 3.3Å; L236-S242 WeakPolarHBondContact O-CA 3.49Å; L236-S242 WeakPolarHBondContact O-CB 3.22Å; D238-S242 PolarHBondContact O-OG 3.26Å; D238-S242 VanDerWaalsContact O-OG 3.13Å
243Y94.6Very high92.5Very high124 Ų12491 Ų9149%0.48646%0.46SS..EExtended strand (participates in β ladder)trans-151.7167.6-177.364.3-73.8000111.8L236 N241 I245L236-Y243 HydrophobicContact CB-CD1 4.48Å; L236-Y243 HydrophobicContact CB-CE1 4.22Å; L236-Y243 HydrophobicContact CD1-CE1 4.27Å; L236-Y243 HydrophobicContact CD1-CE2 4.04Å; L236-Y243 PolarHBondContact N-O 2.94Å; L236-Y243 PolarHBondContact O-N 2.92Å; L236-Y243 VanDerWaalsContact O-N 3.1Å; N241-Y243 VanDerWaalsContact O-CD1 3.31Å; N241-Y243 WeakPolarHBondContact O-CD1 3.31Å; Y243-I245 HydrophobicContact CD2-CG2 3.63Å; Y243-I245 HydrophobicContact CE2-CG2 3.16Å
244V96.9Very high92.4Very high23 Ų2392.2 Ų92.214%0.13947%0.468CS..EExtended strand (participates in β ladder)trans-105.9129.3174.8179.50000109.8V160 H233 Q234 E235 Y294V160-V244 HydrophobicContact CG1-CG2 3.99Å; H233-V244 HydrophobicContact CB-CG1 3.7Å; Q234-V244 WeakPolarHBondContact O-CA 3.44Å; E235-V244 HydrophobicContact CG-CG2 4.03Å; V244-Y294 HydrophobicContact CB-CD2 4.09Å; V244-Y294 HydrophobicContact CB-CE2 4.13Å; V244-Y294 HydrophobicContact CG1-CD2 3.78Å; V244-Y294 HydrophobicContact CG1-CE2 4.32Å
245I96.6Very high92.5Very high53 Ų5388.9 Ų88.927%0.27246%0.455SS..EExtended strand (participates in β ladder)trans-100.4137.7172.157.7163.2000111.1H233 Q234 L236 Y243H233-I245 CarbonylContact C-O 3.59Å; H233-I245 WeakPolarHBondContact CA-O 3.4Å; Q234-I245 HydrophobicContact CB-CD1 4.42Å; Q234-I245 HydrophobicContact CB-CG1 3.93Å; Q234-I245 PolarHBondContact N-O 3.14Å; Q234-I245 PolarHBondContact O-N 2.65Å; L236-I245 HydrophobicContact CD1-CB 4.49Å; L236-I245 HydrophobicContact CD1-CD1 3.87Å; L236-I245 HydrophobicContact CD1-CG1 3.94Å; L236-I245 HydrophobicContact CD1-CG2 3.73Å; L236-I245 HydrophobicContact CG-CD1 4.39Å; L236-I245 HydrophobicContact CG-CG1 4.18Å; Y243-I245 HydrophobicContact CD2-CG2 3.63Å; Y243-I245 HydrophobicContact CE2-CG2 3.16Å
246K97.3Very high92.5Very high120 Ų12091.2 Ų91.252%0.52247%0.466SS..EExtended strand (participates in β ladder)trans-82.7128.4165.6177.9-179.6172.4-174.80109.3Y231Y231-K246 HydrophobicContact CD2-CD 4.48Å; Y231-K246 VanDerWaalsContact CG-CE 3.46Å
247T97.7Very high92.6Very high29 Ų2995.7 Ų95.718%0.17849%0.49CS..EExtended strand (participates in β ladder)trans-94.7172.4173.676.90000111.4V232 Q234 K249V232-T247 WeakPolarHBondContact CB-OG1 3.41Å; V232-T247 HydrophobicContact CG1-CG2 4.42Å; V232-T247 WeakPolarHBondContact O-CB 3.4Å; V232-T247 WeakPolarHBondContact O-CG2 3.41Å; V232-T247 PolarHBondContact O-N 3.41Å; V232-T247 PolarHBondContact O-OG1 3.35Å; Q234-T247 HydrophobicContact CG-CG2 4.08Å; T247-K249 VanDerWaalsContact C-N 3.33Å; T247-K249 PolarHBondContact OG1-N 3.12Å
248T97Very high92.9Very high138 Ų13891.1 Ų91.185%0.84747%0.466SS*.EExtended strand (participates in β ladder)trans-83.5-9.6172.154.60000113.1
249K98.3Very high93.5Very high139 Ų13991.6 Ų91.660%0.60447%0.471SS*.EExtended strand (participates in β ladder)trans-72.7128.2-178.3-179.4178.2174.8-171.40110Y231 V232 T247Y231-K249 CarbonylContact C-O 3.55Å; Y231-K249 WeakPolarHBondContact CA-O 3.36Å; V232-K249 HydrophobicContact CB-CB 4.19Å; V232-K249 HydrophobicContact CB-CG 4.43Å; V232-K249 HydrophobicContact CG2-CB 4.2Å; V232-K249 HydrophobicContact CG2-CD 3.95Å; V232-K249 HydrophobicContact CG2-CG 3.9Å; V232-K249 PolarHBondContact N-O 3.16Å; T247-K249 VanDerWaalsContact C-N 3.33Å; T247-K249 PolarHBondContact OG1-N 3.12Å
250L98.3Very high95Very high104 Ų10482.7 Ų82.755%0.54543%0.431SS..EExtended strand (participates in β ladder)trans-74.5144.5172.6-66.1172.2000110.5K230 Y231K230-L250 HydrophobicContact CG-CD2 3.85Å; K230-L250 WeakPolarHBondContact O-CA 3.49Å; Y231-L250 HydrophobicContact CD1-CD2 3.96Å; Y231-L250 HydrophobicContact CE1-CD2 3.64Å
251K97.8Very high96.3Very high30 Ų3076.3 Ų76.313%0.1340%0.402CS..PPolyproline II helixtrans-77.7155.5170.2-73.9-177.455.569.70110.9T229 K230 Y231 V232 W289 D292 T293T229-K251 WeakPolarHBondContact O-CD 3.35Å; K230-K251 PolarHBondContact O-N 3.26Å; Y231-K251 WeakPolarHBondContact O-CD 3.39Å; V232-K251 HydrophobicContact CG2-CG 3.71Å; K251-W289 PolarHBondContact NZ-O 2.8Å; K251-D292 IonicContact NZ-OD1 3.82Å; K251-D292 PolarHBondContact NZ-OD1 2.89Å; K251-D292 IonicContact NZ-OD2 2.59Å; K251-T293 HydrophobicContact CD-CG2 3.71Å
252T97.6Very high96.9Very high101 Ų10170.9 Ų70.962%0.6237%0.372SS*.PPolyproline II helixtrans-65.3158.2163.856.30000109.8W289T252-W289 PolarHBondContact O-NE1 3.18Å
253P97.4Very high97Very high101 Ų10170.1 Ų70.166%0.65637%0.368SS*.PPolyproline II helixtrans-51.3153.1169-25.835.3000111.9W289P253-W289 PolarHBondContact O-NE1 3.16Å
254P97.4Very high97Very high36 Ų3665.7 Ų65.723%0.23435%0.354CS..PPolyproline II helixtrans-51.8145.5169.9-25.234.6000111.5M258 I260 W289P254-M258 HydrophobicContact CB-CG 3.82Å; P254-M258 WeakPolarHBondContact CB-O 3.41Å; P254-I260 HydrophobicContact CB-CD1 3.89Å; P254-I260 HydrophobicContact CB-CG1 4.11Å; P254-I260 HydrophobicContact CG-CD1 3.89Å; P254-I260 HydrophobicContact CG-CG1 3.54Å; P254-W289 HydrophobicContact CB-CZ2 4.43Å; P254-W289 HydrophobicContact CG-CH2 4.19Å; P254-W289 HydrophobicContact CG-CZ2 3.93Å
255P97.8Very high96.9Very high28 Ų2865 Ų6518%0.18235%0.351CS..G310 helixtrans-63.8157.4176.627.1-32.1000110.8D257 M258 D285 W289P255-D257 PolarHBondContact O-N 3.23Å; P255-M258 HydrophobicContact CG-CE 4Å; P255-M258 VanDerWaalsContact O-CE 3.3Å; P255-M258 WeakPolarHBondContact O-CE 3.2Å; P255-M258 VanDerWaalsContact O-CG 3.26Å; P255-M258 WeakPolarHBondContact O-CG 3.45Å; P255-M258 PolarHBondContact O-N 2.84Å; P255-M258 VanDerWaalsContact O-N 3.16Å; P255-D285 HydrophobicContact CB-CB 4.09Å; P255-D285 HydrophobicContact CG-CB 4.1Å; P255-W289 HydrophobicContact CG-CB 4.22Å
256H96.8Very high97Very high108 Ų10863.9 Ų63.950%0.534%0.344SS..G310 helixtrans56.424.7176-51.6-65.3000114.9M258 D285H256-M258 HydrophobicContact CB-CE 4.11Å; H256-M258 PolarHBondContact O-N 2.85Å; H256-D285 IonicContact CD2-OD2 2.67Å; H256-D285 IonicContact CE1-OD2 3.9Å; H256-D285 PolarHBondContact CE1-OD2 3.03Å; H256-D285 IonicContact NE2-OD2 3.43Å; H256-D285 PolarHBondContact NE2-OD2 2.78Å
257D95.2Very high97Very high154 Ų15458.4 Ų58.482%0.82432%0.32SS*.G310 helixtrans50.728.6-175.5-60.6-49.9000113.4P255P255-D257 PolarHBondContact O-N 3.23Å
258M95.6Very high97.1Very high20 Ų2057 Ų5710%0.09931%0.312CS..PPolyproline II helixtrans-73.5144-174.673.5-179.262.600111.9P254 P255 H256 I260 L282 L286 T303 I307P254-M258 HydrophobicContact CB-CG 3.82Å; P254-M258 WeakPolarHBondContact CB-O 3.41Å; P255-M258 HydrophobicContact CG-CE 4Å; P255-M258 VanDerWaalsContact O-CE 3.3Å; P255-M258 WeakPolarHBondContact O-CE 3.2Å; P255-M258 VanDerWaalsContact O-CG 3.26Å; P255-M258 WeakPolarHBondContact O-CG 3.45Å; P255-M258 PolarHBondContact O-N 2.84Å; P255-M258 VanDerWaalsContact O-N 3.16Å; H256-M258 HydrophobicContact CB-CE 4.11Å; H256-M258 PolarHBondContact O-N 2.85Å; M258-I260 HydrophobicContact CG-CD1 4.28Å; M258-L282 HydrophobicContact CE-CD2 4.02Å; M258-L282 HydrophobicContact CE-CG 4.1Å; M258-L286 HydrophobicContact CE-CB 4.23Å; M258-L286 HydrophobicContact SD-CB 4.03Å; M258-L286 HydrophobicContact SD-CD1 3.7Å; M258-L286 HydrophobicContact SD-CD2 3.92Å; M258-L286 HydrophobicContact SD-CG 4.06Å; M258-T303 HydrophobicContact CG-CG2 4.39Å; M258-T303 HydrophobicContact SD-CG2 3.86Å; M258-I307 HydrophobicContact CE-CD1 4.49Å
259V96.8Very high97.2Very high85 Ų8550.6 Ų50.652%0.51527%0.272SS..PPolyproline II helixtrans-80.4123.7173.61800000109.1L220 Y261L220-V259 HydrophobicContact CD2-CG1 3.62Å; V259-Y261 HydrophobicContact CB-CE2 3.99Å; V259-Y261 HydrophobicContact CG1-CD2 4.29Å; V259-Y261 HydrophobicContact CG1-CE2 3.79Å; V259-Y261 VanDerWaalsContact O-CD2 3.32Å; V259-Y261 WeakPolarHBondContact O-CD2 3.24Å
260I97.7Very high97.2Very high13 Ų1344.4 Ų44.47%0.06725%0.246CC..PPolyproline II helixtrans-78.7131.9175-57.3-57.4000109.9P221 T229 P254 M258 F262 L286 W289 H299 T303P221-I260 VanDerWaalsContact CD-O 3.23Å; P221-I260 WeakPolarHBondContact CD-O 3.27Å; P221-I260 VanDerWaalsContact CG-O 3.23Å; P221-I260 WeakPolarHBondContact CG-O 3.34Å; T229-I260 HydrophobicContact CG2-CG2 4.37Å; P254-I260 HydrophobicContact CB-CD1 3.89Å; P254-I260 HydrophobicContact CB-CG1 4.11Å; P254-I260 HydrophobicContact CG-CD1 3.89Å; P254-I260 HydrophobicContact CG-CG1 3.54Å; M258-I260 HydrophobicContact CG-CD1 4.28Å; I260-F262 HydrophobicContact CG2-CD2 4.29Å; I260-F262 HydrophobicContact CG2-CE2 3.96Å; I260-L286 HydrophobicContact CD1-CD1 3.93Å; I260-W289 HydrophobicContact CD1-CH2 4.02Å; I260-W289 HydrophobicContact CD1-CZ3 3.81Å; I260-W289 HydrophobicContact CG1-CH2 3.93Å; I260-W289 HydrophobicContact CG1-CZ3 4.21Å; I260-H299 HydrophobicContact CG2-CB 3.91Å; I260-T303 HydrophobicContact CD1-CG2 3.94Å
261Y97.8Very high97.2Very high51 Ų5143.1 Ų43.120%0.223%0.234CC..  trans-111154.7172.4-72.5-100.9000110V219 L220 V259 H299 V302 T303 R306V219-Y261 CarbonylContact O-C 3.51Å; V219-Y261 WeakPolarHBondContact O-CA 3.34Å; V219-Y261 WeakPolarHBondContact O-CD1 2.98Å; L220-Y261 HydrophobicContact CD2-CD1 4.09Å; L220-Y261 HydrophobicContact CD2-CE1 3.65Å; L220-Y261 HydrophobicContact CD2-CE2 4.42Å; L220-Y261 HydrophobicContact CG-CD1 4.47Å; L220-Y261 HydrophobicContact CG-CE1 4.04Å; V259-Y261 HydrophobicContact CB-CE2 3.99Å; V259-Y261 HydrophobicContact CG1-CD2 4.29Å; V259-Y261 HydrophobicContact CG1-CE2 3.79Å; V259-Y261 VanDerWaalsContact O-CD2 3.32Å; V259-Y261 WeakPolarHBondContact O-CD2 3.24Å; Y261-H299 WeakPolarHBondContact O-CA 3.36Å; Y261-H299 WeakPolarHBondContact O-CB 3.4Å; Y261-V302 WeakPolarHBondContact O-CG1 3.06Å; Y261-T303 PolarHBondContact N-OG1 3.3Å; Y261-T303 PolarHBondContact O-OG1 3.05Å; Y261-R306 HydrophobicContact CD1-CG 3.99Å; Y261-R306 HydrophobicContact CD2-CB 3.8Å; Y261-R306 HydrophobicContact CD2-CG 3.67Å; Y261-R306 HydrophobicContact CE1-CG 4.12Å; Y261-R306 HydrophobicContact CE2-CB 3.65Å; Y261-R306 HydrophobicContact CE2-CG 3.82Å; Y261-R306 HydrophobicContact CG-CB 4.41Å; Y261-R306 HydrophobicContact CG-CG 3.77Å
262F97.6Very high97.3Very high8 Ų847 Ų474%0.03526%0.256CS..EExtended strand (participates in β ladder)trans-119.8143.1174-87.4-93.6000111.3G218 V219 P221 A225 R228 T229 I260 E298 H299G218-F262 CarbonylContact C-O 3.58Å; G218-F262 WeakPolarHBondContact CA-O 3.06Å; V219-F262 PolarHBondContact N-O 3.07Å; V219-F262 PolarHBondContact O-N 3Å; V219-F262 VanDerWaalsContact O-O 3.13Å; P221-F262 HydrophobicContact CB-CD2 3.7Å; P221-F262 HydrophobicContact CB-CE2 4.11Å; P221-F262 HydrophobicContact CG-CD2 3.91Å; P221-F262 HydrophobicContact CG-CE2 4.31Å; A225-F262 HydrophobicContact CB-CD1 3.87Å; A225-F262 HydrophobicContact CB-CD2 4.02Å; A225-F262 HydrophobicContact CB-CE1 3.97Å; A225-F262 HydrophobicContact CB-CE2 4.1Å; A225-F262 HydrophobicContact CB-CG 3.88Å; A225-F262 HydrophobicContact CB-CZ 4.07Å; R228-F262 HydrophobicContact CB-CE1 4.38Å; R228-F262 HydrophobicContact CB-CZ 4.1Å; T229-F262 HydrophobicContact CG2-CE2 4.09Å; T229-F262 HydrophobicContact CG2-CZ 3.77Å; I260-F262 HydrophobicContact CG2-CD2 4.29Å; I260-F262 HydrophobicContact CG2-CE2 3.96Å; F262-E298 CarbonylContact C-O 3.54Å; F262-E298 WeakPolarHBondContact CA-O 3.23Å; F262-E298 HydrophobicContact CD1-CB 4.33Å; F262-H299 HydrophobicContact CD1-CB 4.2Å; F262-H299 HydrophobicContact CD2-CB 4.33Å; F262-H299 HydrophobicContact CE1-CB 4.07Å; F262-H299 HydrophobicContact CE2-CB 4.23Å; F262-H299 HydrophobicContact CG-CB 4.34Å; F262-H299 HydrophobicContact CZ-CB 4.1Å
263G94.9Very high97.3Very high8 Ų842.2 Ų42.28%0.08223%0.227CC..EExtended strand (participates in β ladder)trans-157-154.5-173.700000111P217 E298P217-G263 WeakPolarHBondContact O-CA 3.04Å; G263-E298 PolarHBondContact N-O 2.9Å; G263-E298 WeakPolarHBondContact O-CB 3.04Å
264T93.9Very high97.4Very high30 Ų3037.4 Ų37.418%0.18420%0.196CC..  trans-96.8159.5174.976.50000110.4P217 Y266 W319P217-T264 PolarHBondContact O-N 2.79Å; T264-Y266 PolarHBondContact O-N 3.19Å; T264-Y266 PolarHBondContact OG1-N 3.3Å; T264-Y266 VanDerWaalsContact OG1-N 3.13Å; T264-Y266 PolarHBondContact OG1-O 3.37Å; T264-Y266 VanDerWaalsContact OG1-O 3.09Å; T264-W319 HydrophobicContact CG2-CZ2 4.08Å
265A96.1Very high97.4Very high10 Ų1037.7 Ų37.78%0.08320%0.195CC..SBendtrans-65.6-15167.300000112.9N189 D297N189-A265 PolarHBondContact ND2-O 3.23Å; A265-D297 HydrophobicContact CB-CB 3.97Å; A265-D297 VanDerWaalsContact CB-OD2 3.24Å; A265-D297 WeakPolarHBondContact CB-OD2 3.42Å
266Y97.7Very high97.5Very high28 Ų2837.5 Ų37.511%0.1119%0.192CC..  trans-92.9120.6-172.6-59.5-68.2000112.1N189 T264 L323 R324 I326 N366N189-Y266 VanDerWaalsContact OD1-CA 3.29Å; N189-Y266 WeakPolarHBondContact OD1-CA 3.5Å; T264-Y266 PolarHBondContact O-N 3.19Å; T264-Y266 PolarHBondContact OG1-N 3.3Å; T264-Y266 VanDerWaalsContact OG1-N 3.13Å; T264-Y266 PolarHBondContact OG1-O 3.37Å; T264-Y266 VanDerWaalsContact OG1-O 3.09Å; Y266-L323 WeakPolarHBondContact O-CD1 3.43Å; Y266-R324 HydrophobicContact CD2-CB 3.93Å; Y266-R324 HydrophobicContact CD2-CG 3.92Å; Y266-R324 HydrophobicContact CE2-CB 4.44Å; Y266-R324 HydrophobicContact CE2-CG 3.94Å; Y266-R324 HydrophobicContact CG-CB 4.24Å; Y266-R324 HydrophobicContact CG-CG 4.33Å; Y266-I326 HydrophobicContact CD2-CD1 4.26Å; Y266-I326 HydrophobicContact CE2-CD1 3.91Å; Y266-N366 PolarHBondContact OH-ND2 3.46Å; Y266-N366 PolarHBondContact OH-OD1 2.95Å
267V98.4Very high97.6Very high5 Ų532.5 Ų32.53%0.0317%0.168CC..  trans-137.6155.8-170.7-62.30000112.1N189 I215 T216 L269 W301 L323N189-V267 PolarHBondContact N-O 3.44Å; N189-V267 PolarHBondContact OD1-N 3.47Å; N189-V267 PolarHBondContact OD1-O 2.9Å; I215-V267 WeakPolarHBondContact O-CA 3.1Å; T216-V267 HydrophobicContact CG2-CB 4.31Å; T216-V267 HydrophobicContact CG2-CG1 3.87Å; V267-L269 HydrophobicContact CB-CD2 3.95Å; V267-L269 HydrophobicContact CB-CG 4.08Å; V267-L269 HydrophobicContact CG2-CD1 3.83Å; V267-L269 HydrophobicContact CG2-CD2 4.12Å; V267-L269 HydrophobicContact CG2-CG 3.77Å; V267-W301 HydrophobicContact CG1-CB 3.73Å; V267-W301 HydrophobicContact CG1-CG 3.84Å; V267-W301 HydrophobicContact CG2-CD2 4.4Å; V267-W301 HydrophobicContact CG2-CG 4.33Å; V267-L323 VanDerWaalsContact C-CD1 3.47Å; V267-L323 VanDerWaalsContact CA-CD1 3.5Å
268A98.8Very high97.7Very high0 Ų027.4 Ų27.40%014%0.141CC..EExtended strand (participates in β ladder)trans-124.611516400000108.5Y186 V187 I188 L207 N214 I215 L323Y186-A268 HydrophobicContact CD1-CB 4.34Å; V187-A268 CarbonylContact O-C 3.48Å; V187-A268 VanDerWaalsContact O-CA 3.28Å; V187-A268 WeakPolarHBondContact O-CA 3.42Å; I188-A268 HydrophobicContact CG1-CB 4.12Å; L207-A268 HydrophobicContact CD2-CB 3.95Å; N214-A268 WeakPolarHBondContact CA-O 3.21Å; I215-A268 HydrophobicContact CB-CB 4.1Å; I215-A268 HydrophobicContact CD1-CB 4.22Å; I215-A268 HydrophobicContact CG1-CB 4.31Å; I215-A268 PolarHBondContact N-O 3.34Å; I215-A268 PolarHBondContact O-N 3.43Å; A268-L323 HydrophobicContact CB-CD1 4.2Å; A268-L323 HydrophobicContact CB-CD2 3.95Å
269L98.8Very high97.8Very high3 Ų332.9 Ų32.92%0.01617%0.167CC..EExtended strand (participates in β ladder)trans-117.9141.6-169.3-53175000110.3Y186 V187 N214 T216 V267 F273 W301Y186-L269 CarbonylContact C-O 3.53Å; Y186-L269 WeakPolarHBondContact CA-O 2.98Å; V187-L269 HydrophobicContact CG1-CB 3.78Å; V187-L269 PolarHBondContact N-O 3.44Å; V187-L269 PolarHBondContact O-N 3.34Å; N214-L269 HydrophobicContact CB-CD2 4.01Å; T216-L269 HydrophobicContact CG2-CD2 3.79Å; V267-L269 HydrophobicContact CB-CD2 3.95Å; V267-L269 HydrophobicContact CB-CG 4.08Å; V267-L269 HydrophobicContact CG2-CD1 3.83Å; V267-L269 HydrophobicContact CG2-CD2 4.12Å; V267-L269 HydrophobicContact CG2-CG 3.77Å; L269-F273 HydrophobicContact CB-CD1 3.97Å; L269-F273 HydrophobicContact CD1-CD1 3.92Å; L269-F273 HydrophobicContact CD1-CE1 3.9Å; L269-F273 HydrophobicContact CD2-CD1 3.77Å; L269-F273 HydrophobicContact CD2-CE1 3.66Å; L269-F273 HydrophobicContact CG-CD1 4.09Å; L269-F273 HydrophobicContact CG-CE1 4.26Å; L269-W301 HydrophobicContact CD1-CD2 4.28Å; L269-W301 HydrophobicContact CD1-CE3 3.63Å; L269-W301 HydrophobicContact CD1-CH2 4.32Å; L269-W301 HydrophobicContact CD1-CZ3 3.64Å
270T98.9Very high97.9Very high10 Ų1032 Ų326%0.06116%0.159CC..EExtended strand (participates in β ladder)trans-70.4156.9172.358.30000111.4Y186 G212 N214 D272 F273 A274Y186-T270 HydrophobicContact CD1-CG2 4.27Å; Y186-T270 HydrophobicContact CE1-CG2 3.62Å; Y186-T270 HydrophobicContact CE2-CG2 4.11Å; G212-T270 WeakPolarHBondContact O-CG2 3.29Å; N214-T270 WeakPolarHBondContact OD1-CG2 3.41Å; N214-T270 PolarHBondContact OD1-N 3.02Å; N214-T270 PolarHBondContact OD1-OG1 3.18Å; T270-D272 VanDerWaalsContact C-N 3.27Å; T270-D272 PolarHBondContact O-N 2.84Å; T270-F273 PolarHBondContact O-N 2.85Å; T270-F273 WeakPolarHBondContact OG1-CB 3.36Å; T270-F273 PolarHBondContact OG1-N 2.93Å; T270-A274 PolarHBondContact O-N 2.84Å
271R98.6Very high98Very high76 Ų7637 Ų3729%0.28718%0.182SC..Hα-helixtrans-60-36.1174.3-169.4163.7-172.8-133.67.2113.1V178 S180 W184 K185 A274 N275V178-R271 PolarHBondContact O-NH2 2.04Å; S180-R271 PolarHBondContact O-NH2 3.43Å; W184-R271 HydrophobicContact CD2-CB 4.38Å; W184-R271 HydrophobicContact CD2-CG 4.28Å; W184-R271 HydrophobicContact CE3-CB 3.76Å; W184-R271 HydrophobicContact CE3-CG 4.12Å; W184-R271 HydrophobicContact CH2-CB 3.7Å; W184-R271 HydrophobicContact CH2-CG 3.56Å; W184-R271 HydrophobicContact CZ2-CB 4.29Å; W184-R271 HydrophobicContact CZ2-CG 3.7Å; W184-R271 HydrophobicContact CZ3-CB 3.39Å; W184-R271 HydrophobicContact CZ3-CG 3.77Å; W184-R271 WeakPolarHBondContact O-CD 3.5Å; K185-R271 PolarHBondContact O-N 3.5Å; R271-A274 WeakPolarHBondContact O-CB 3.34Å; R271-A274 PolarHBondContact O-N 3.29Å; R271-N275 PolarHBondContact O-N 2.98Å; R271-N275 PolarHBondContact O-ND2 3.45Å
272D98.7Very high98Very high112 Ų11236.5 Ų36.560%0.59918%0.182SC*.Hα-helixtrans-67.6-39.9177.5-63.3-18.7000111.6T270 A274 N275 F276 P311T270-D272 VanDerWaalsContact C-N 3.27Å; T270-D272 PolarHBondContact O-N 2.84Å; D272-A274 VanDerWaalsContact C-N 3.34Å; D272-N275 PolarHBondContact O-N 3.3Å; D272-F276 WeakPolarHBondContact O-CB 3.23Å; D272-F276 PolarHBondContact O-N 2.74Å; D272-P311 HydrophobicContact CB-CB 3.81Å; D272-P311 HydrophobicContact CB-CG 4.49Å
273F98.9Very high98Very high0 Ų036.1 Ų36.10%018%0.181CC..Hα-helixtrans-65-39.1172.8-175.4-93.5000111.8N214 L269 T270 F276 V277 W301 L304 N305 V310 P311N214-F273 WeakPolarHBondContact ND2-CD2 3.47Å; N214-F273 WeakPolarHBondContact ND2-CG 3.32Å; N214-F273 VanDerWaalsContact OD1-CB 3.32Å; N214-F273 WeakPolarHBondContact OD1-CB 3.47Å; L269-F273 HydrophobicContact CB-CD1 3.97Å; L269-F273 HydrophobicContact CD1-CD1 3.92Å; L269-F273 HydrophobicContact CD1-CE1 3.9Å; L269-F273 HydrophobicContact CD2-CD1 3.77Å; L269-F273 HydrophobicContact CD2-CE1 3.66Å; L269-F273 HydrophobicContact CG-CD1 4.09Å; L269-F273 HydrophobicContact CG-CE1 4.26Å; T270-F273 PolarHBondContact O-N 2.85Å; T270-F273 WeakPolarHBondContact OG1-CB 3.36Å; T270-F273 PolarHBondContact OG1-N 2.93Å; F273-F276 HydrophobicContact CD2-CD1 4.45Å; F273-F276 WeakPolarHBondContact O-CB 3.05Å; F273-F276 PolarHBondContact O-N 2.83Å; F273-V277 HydrophobicContact CD1-CG2 3.78Å; F273-V277 HydrophobicContact CE1-CG2 3.45Å; F273-V277 VanDerWaalsContact CE1-CG2 3.45Å; F273-V277 HydrophobicContact CZ-CG2 3.94Å; F273-V277 WeakPolarHBondContact O-CG2 3.03Å; F273-V277 PolarHBondContact O-N 3.06Å; F273-W301 HydrophobicContact CE1-CE3 4.23Å; F273-L304 HydrophobicContact CE2-CB 4.08Å; F273-L304 HydrophobicContact CZ-CB 3.8Å; F273-N305 HydrophobicContact CE2-CB 4.32Å; F273-N305 HydrophobicContact CZ-CB 4.38Å; F273-V310 HydrophobicContact CD2-CG1 3.55Å; F273-V310 HydrophobicContact CE2-CG1 3.48Å; F273-V310 VanDerWaalsContact CE2-CG1 3.48Å; F273-P311 VanDerWaalsContact CD2-O 3.28Å; F273-P311 WeakPolarHBondContact CD2-O 3.43Å
274A98.8Very high98.2Very high0 Ų038.7 Ų38.70%019%0.192CC..Hα-helixtrans-60.2-45.2174.900000112.1L174 V178 W184 T270 R271 D272 V277 L278L174-A274 HydrophobicContact CD1-CB 3.56Å; L174-A274 HydrophobicContact CD2-CB 4.08Å; L174-A274 HydrophobicContact CG-CB 3.9Å; V178-A274 HydrophobicContact CG2-CB 3.82Å; W184-A274 HydrophobicContact CH2-CB 3.8Å; T270-A274 PolarHBondContact O-N 2.84Å; R271-A274 WeakPolarHBondContact O-CB 3.34Å; R271-A274 PolarHBondContact O-N 3.29Å; D272-A274 VanDerWaalsContact C-N 3.34Å; A274-V277 PolarHBondContact O-N 3.15Å; A274-L278 WeakPolarHBondContact O-CG 3.21Å; A274-L278 PolarHBondContact O-N 2.99Å
275N98.5Very high98.4Very high42 Ų4239.5 Ų39.523%0.22520%0.195CC..Hα-helixtrans-59.8-46.3173.5-78.9-62.2000112V178 R271 D272 V277 L278 Q279V178-N275 WeakPolarHBondContact CG1-OD1 3.23Å; R271-N275 PolarHBondContact O-N 2.98Å; R271-N275 PolarHBondContact O-ND2 3.45Å; D272-N275 PolarHBondContact O-N 3.3Å; N275-V277 PolarHBondContact O-N 3.43Å; N275-L278 PolarHBondContact O-N 2.05Å; N275-Q279 WeakPolarHBondContact O-CB 3.35Å; N275-Q279 WeakPolarHBondContact O-CG 3.43Å; N275-Q279 PolarHBondContact O-N 3.18Å; N275-Q279 VanDerWaalsContact O-N 3.17Å
276F98.8Very high98.6Very high25 Ų2539 Ų3911%0.1119%0.191CC..Hα-helixtrans-56.2-48.3176.2166.5-92.8000111.9D272 F273 L278 Q279 D280 L282 A283 L304 V310 P311D272-F276 WeakPolarHBondContact O-CB 3.23Å; D272-F276 PolarHBondContact O-N 2.74Å; F273-F276 HydrophobicContact CD2-CD1 4.45Å; F273-F276 WeakPolarHBondContact O-CB 3.05Å; F273-F276 PolarHBondContact O-N 2.83Å; F276-L278 PolarHBondContact O-N 3.22Å; F276-Q279 PolarHBondContact O-N 2.91Å; F276-D280 HydrophobicContact CD2-CB 3.36Å; F276-D280 HydrophobicContact CE2-CB 3.34Å; F276-D280 HydrophobicContact CG-CB 4.09Å; F276-D280 HydrophobicContact CZ-CB 4.04Å; F276-D280 VanDerWaalsContact O-CB 3.27Å; F276-D280 WeakPolarHBondContact O-CB 3.43Å; F276-D280 PolarHBondContact O-N 3.37Å; F276-L282 HydrophobicContact CZ-CB 4.5Å; F276-L282 HydrophobicContact CZ-CD2 4.18Å; F276-A283 HydrophobicContact CD1-CB 4.35Å; F276-A283 HydrophobicContact CE1-CB 3.89Å; F276-A283 HydrophobicContact CZ-CB 4.28Å; F276-L304 HydrophobicContact CE1-CD1 4.44Å; F276-L304 HydrophobicContact CE1-CD2 4.37Å; F276-V310 HydrophobicContact CD1-CG1 3.74Å; F276-V310 HydrophobicContact CE1-CB 4.4Å; F276-V310 HydrophobicContact CE1-CG1 3.59Å; F276-V310 HydrophobicContact CE1-CG2 3.9Å; F276-V310 HydrophobicContact CE2-CG2 4.05Å; F276-V310 HydrophobicContact CG-CG1 4.3Å; F276-V310 HydrophobicContact CZ-CB 4.39Å; F276-V310 HydrophobicContact CZ-CG1 4.04Å; F276-V310 HydrophobicContact CZ-CG2 3.53Å; F276-P311 HydrophobicContact CB-CG 4.09Å
277V98.6Very high98.6Very high2 Ų238.7 Ų38.71%0.01219%0.192CC..Hα-helixtrans-57-35.2-179.81650000112.4L171 L174 F273 A274 N275 F300 W301 L304L171-V277 HydrophobicContact CD2-CG1 3.59Å; L174-V277 HydrophobicContact CD2-CB 4.49Å; L174-V277 HydrophobicContact CD2-CG1 4.22Å; F273-V277 HydrophobicContact CD1-CG2 3.78Å; F273-V277 HydrophobicContact CE1-CG2 3.45Å; F273-V277 VanDerWaalsContact CE1-CG2 3.45Å; F273-V277 HydrophobicContact CZ-CG2 3.94Å; F273-V277 WeakPolarHBondContact O-CG2 3.03Å; F273-V277 PolarHBondContact O-N 3.06Å; A274-V277 PolarHBondContact O-N 3.15Å; N275-V277 PolarHBondContact O-N 3.43Å; V277-F300 HydrophobicContact CG1-CE1 3.85Å; V277-F300 HydrophobicContact CG1-CZ 4Å; V277-W301 HydrophobicContact CG1-CZ3 4.03Å; V277-W301 HydrophobicContact CG2-CZ3 4.23Å; V277-L304 HydrophobicContact CG2-CD1 3.92Å
278L98.4Very high98.6Very high47 Ų4741.9 Ų41.925%0.24621%0.214CC..Hα-helixtrans-86.6-19.8-175.5-64.2172.7000113.9L174 E175 V178 A274 N275 F276L174-L278 HydrophobicContact CG-CD1 4.47Å; E175-L278 HydrophobicContact CB-CD1 4.34Å; E175-L278 HydrophobicContact CB-CD2 4.34Å; V178-L278 HydrophobicContact CB-CD1 4.14Å; V178-L278 HydrophobicContact CG1-CD1 4.47Å; V178-L278 HydrophobicContact CG2-CD1 3.9Å; A274-L278 WeakPolarHBondContact O-CG 3.21Å; A274-L278 PolarHBondContact O-N 2.99Å; N275-L278 PolarHBondContact O-N 2.05Å; F276-L278 PolarHBondContact O-N 3.22Å
279Q98.2Very high98.6Very high136 Ų13643 Ų4364%0.63622%0.219SC*.Hα-helixtrans-123.7-31.2-167-61.8176.320.900114N275 F276N275-Q279 WeakPolarHBondContact O-CB 3.35Å; N275-Q279 WeakPolarHBondContact O-CG 3.43Å; N275-Q279 PolarHBondContact O-N 3.18Å; N275-Q279 VanDerWaalsContact O-N 3.17Å; F276-Q279 PolarHBondContact O-N 2.91Å
280D98.6Very high98.6Very high67 Ų6742.9 Ų42.936%0.35822%0.218SC..  trans-80.1134.9-172.8-167.5-78.1000111.9F276 L282 A283 L284F276-D280 HydrophobicContact CD2-CB 3.36Å; F276-D280 HydrophobicContact CE2-CB 3.34Å; F276-D280 HydrophobicContact CG-CB 4.09Å; F276-D280 HydrophobicContact CZ-CB 4.04Å; F276-D280 VanDerWaalsContact O-CB 3.27Å; F276-D280 WeakPolarHBondContact O-CB 3.43Å; F276-D280 PolarHBondContact O-N 3.37Å; D280-L282 PolarHBondContact O-N 2.74Å; D280-L282 WeakPolarHBondContact OD1-CB 3.47Å; D280-L282 PolarHBondContact OD1-N 2.95Å; D280-A283 PolarHBondContact O-N 3.35Å; D280-A283 VanDerWaalsContact O-N 3.07Å; D280-L284 WeakPolarHBondContact O-CG 3.29Å; D280-L284 PolarHBondContact O-N 3.02Å
281Q98.3Very high98.6Very high117 Ų11747.9 Ų47.955%0.54724%0.239SC..Hα-helixtrans-59.8-34.3-177.1-167.762.650.400112.4A283 L284 D285Q281-A283 VanDerWaalsContact C-N 3.33Å; Q281-A283 PolarHBondContact O-N 2.67Å; Q281-L284 PolarHBondContact O-N 2.94Å; Q281-D285 PolarHBondContact NE2-OD1 3.19Å; Q281-D285 VanDerWaalsContact O-CB 3.29Å; Q281-D285 WeakPolarHBondContact O-CB 3.48Å; Q281-D285 PolarHBondContact O-N 3.02Å
282L97.9Very high98.5Very high40 Ų4046.8 Ų46.821%0.20924%0.239CC..Hα-helixtrans-61.7-44177.3-174151.8000111M258 F276 D280 L286 L304 I307M258-L282 HydrophobicContact CE-CD2 4.02Å; M258-L282 HydrophobicContact CE-CG 4.1Å; F276-L282 HydrophobicContact CZ-CB 4.5Å; F276-L282 HydrophobicContact CZ-CD2 4.18Å; D280-L282 PolarHBondContact O-N 2.74Å; D280-L282 WeakPolarHBondContact OD1-CB 3.47Å; D280-L282 PolarHBondContact OD1-N 2.95Å; L282-L286 PolarHBondContact O-N 2.83Å; L282-L286 VanDerWaalsContact O-N 3.14Å; L282-L304 HydrophobicContact CD2-CD2 3.48Å; L282-L304 VanDerWaalsContact CD2-CD2 3.48Å; L282-I307 HydrophobicContact CD1-CD1 4.13Å; L282-I307 HydrophobicContact CD1-CG2 4.41Å; L282-I307 HydrophobicContact CD2-CD1 3.35Å; L282-I307 HydrophobicContact CG-CD1 4.32Å
283A98.6Very high98.5Very high0 Ų041.6 Ų41.60%021%0.211CC..Hα-helixtrans-69.1-42.7178.900000111.6F276 D280 Q281 D285 L286 L287 L304F276-A283 HydrophobicContact CD1-CB 4.35Å; F276-A283 HydrophobicContact CE1-CB 3.89Å; F276-A283 HydrophobicContact CZ-CB 4.28Å; D280-A283 PolarHBondContact O-N 3.35Å; D280-A283 VanDerWaalsContact O-N 3.07Å; Q281-A283 VanDerWaalsContact C-N 3.33Å; Q281-A283 PolarHBondContact O-N 2.67Å; A283-D285 PolarHBondContact O-N 2.8Å; A283-L286 PolarHBondContact O-N 2.74Å; A283-L287 WeakPolarHBondContact O-CB 3.41Å; A283-L287 PolarHBondContact O-N 3.24Å; A283-L304 HydrophobicContact CB-CD1 3.85Å; A283-L304 HydrophobicContact CB-CD2 4.3Å
284L98.8Very high98.5Very high63 Ų6344.2 Ų44.233%0.3322%0.221SC..Hα-helixtrans-64.3-38.7178-64.8176.1000112.2D280 Q281 L287 S288D280-L284 WeakPolarHBondContact O-CG 3.29Å; D280-L284 PolarHBondContact O-N 3.02Å; Q281-L284 PolarHBondContact O-N 2.94Å; L284-L287 PolarHBondContact O-N 2.8Å; L284-S288 WeakPolarHBondContact O-CB 3.47Å; L284-S288 PolarHBondContact O-N 3.38Å
285D98.8Very high98.4Very high46 Ų4644.5 Ų44.525%0.24622%0.223CC..Hα-helixtrans-66.7-44.7176.4-72-18000111.5P255 H256 Q281 A283 L287 S288 W289P255-D285 HydrophobicContact CB-CB 4.09Å; P255-D285 HydrophobicContact CG-CB 4.1Å; H256-D285 IonicContact CD2-OD2 2.67Å; H256-D285 IonicContact CE1-OD2 3.9Å; H256-D285 PolarHBondContact CE1-OD2 3.03Å; H256-D285 IonicContact NE2-OD2 3.43Å; H256-D285 PolarHBondContact NE2-OD2 2.78Å; Q281-D285 PolarHBondContact NE2-OD1 3.19Å; Q281-D285 VanDerWaalsContact O-CB 3.29Å; Q281-D285 WeakPolarHBondContact O-CB 3.48Å; Q281-D285 PolarHBondContact O-N 3.02Å; A283-D285 PolarHBondContact O-N 2.8Å; D285-L287 VanDerWaalsContact C-N 3.33Å; D285-L287 PolarHBondContact O-N 2.73Å; D285-S288 PolarHBondContact O-N 2.58Å; D285-W289 WeakPolarHBondContact O-CB 3Å; D285-W289 PolarHBondContact O-N 3.14Å
286L98.8Very high98.4Very high0 Ų042.5 Ų42.50%021%0.213CC..Hα-helixtrans-63.8-40.3174.817861.8000111.4M258 I260 L282 A283 W289 S290 F300 T303 L304M258-L286 HydrophobicContact CE-CB 4.23Å; M258-L286 HydrophobicContact SD-CB 4.03Å; M258-L286 HydrophobicContact SD-CD1 3.7Å; M258-L286 HydrophobicContact SD-CD2 3.92Å; M258-L286 HydrophobicContact SD-CG 4.06Å; I260-L286 HydrophobicContact CD1-CD1 3.93Å; L282-L286 PolarHBondContact O-N 2.83Å; L282-L286 VanDerWaalsContact O-N 3.14Å; A283-L286 PolarHBondContact O-N 2.74Å; L286-W289 HydrophobicContact CD1-CE3 3.87Å; L286-W289 HydrophobicContact CD1-CZ3 4.3Å; L286-W289 PolarHBondContact O-N 3.13Å; L286-S290 VanDerWaalsContact O-CB 3.26Å; L286-S290 WeakPolarHBondContact O-CB 3.25Å; L286-S290 PolarHBondContact O-N 3.26Å; L286-S290 PolarHBondContact O-OG 3.3Å; L286-F300 HydrophobicContact CB-CE2 4.38Å; L286-F300 HydrophobicContact CD2-CD2 3.92Å; L286-F300 HydrophobicContact CD2-CE2 4.26Å; L286-F300 HydrophobicContact CG-CD2 3.92Å; L286-F300 HydrophobicContact CG-CE2 4.19Å; L286-T303 HydrophobicContact CD2-CG2 3.68Å; L286-L304 HydrophobicContact CB-CD2 4.33Å; L286-L304 HydrophobicContact CD2-CD2 3.59Å; L286-L304 HydrophobicContact CD2-CG 3.72Å
287L98.8Very high98.4Very high22 Ų2242 Ų4212%0.11521%0.211CC..Hα-helixtrans-60.9-48.8177177.558.3000110.2I164 L167 L171 A283 L284 D285 W289 S290 K291 F300I164-L287 HydrophobicContact CD1-CD1 4.19Å; L167-L287 HydrophobicContact CD2-CD1 3.96Å; L171-L287 HydrophobicContact CD1-CD1 3.56Å; L171-L287 HydrophobicContact CD1-CD2 3.72Å; L171-L287 HydrophobicContact CD1-CG 4.3Å; A283-L287 WeakPolarHBondContact O-CB 3.41Å; A283-L287 PolarHBondContact O-N 3.24Å; L284-L287 PolarHBondContact O-N 2.8Å; D285-L287 VanDerWaalsContact C-N 3.33Å; D285-L287 PolarHBondContact O-N 2.73Å; L287-W289 PolarHBondContact O-N 3.41Å; L287-S290 PolarHBondContact O-N 2.97Å; L287-K291 WeakPolarHBondContact O-CG 3.37Å; L287-K291 PolarHBondContact O-N 2.91Å; L287-F300 HydrophobicContact CB-CD2 4.48Å; L287-F300 HydrophobicContact CB-CE2 3.64Å; L287-F300 HydrophobicContact CB-CZ 4.08Å; L287-F300 HydrophobicContact CD1-CE2 4.23Å; L287-F300 HydrophobicContact CD1-CZ 4.43Å
288S98.7Very high98.4Very high72 Ų7244.4 Ų44.450%0.50322%0.222SC..Hα-helixtrans-55.9-48.9176-175.90000111.6L284 D285 S290 K291L284-S288 WeakPolarHBondContact O-CB 3.47Å; L284-S288 PolarHBondContact O-N 3.38Å; D285-S288 PolarHBondContact O-N 2.58Å; S288-S290 VanDerWaalsContact C-N 3.25Å; S288-S290 PolarHBondContact O-N 3.37Å; S288-K291 PolarHBondContact O-N 3.36Å
289W98.7Very high98.4Very high24 Ų2442.2 Ų42.29%0.09121%0.21CC..Hα-helixtrans-63.6-29.9176.2179.392.4000112.9T229 K251 T252 P253 P254 P255 I260 D285 L286 L287 K291 T293 H299T229-W289 HydrophobicContact CG2-CH2 3.8Å; T229-W289 HydrophobicContact CG2-CZ3 4.1Å; K251-W289 PolarHBondContact NZ-O 2.8Å; T252-W289 PolarHBondContact O-NE1 3.18Å; P253-W289 PolarHBondContact O-NE1 3.16Å; P254-W289 HydrophobicContact CB-CZ2 4.43Å; P254-W289 HydrophobicContact CG-CH2 4.19Å; P254-W289 HydrophobicContact CG-CZ2 3.93Å; P255-W289 HydrophobicContact CG-CB 4.22Å; I260-W289 HydrophobicContact CD1-CH2 4.02Å; I260-W289 HydrophobicContact CD1-CZ3 3.81Å; I260-W289 HydrophobicContact CG1-CH2 3.93Å; I260-W289 HydrophobicContact CG1-CZ3 4.21Å; D285-W289 WeakPolarHBondContact O-CB 3Å; D285-W289 PolarHBondContact O-N 3.14Å; L286-W289 HydrophobicContact CD1-CE3 3.87Å; L286-W289 HydrophobicContact CD1-CZ3 4.3Å; L286-W289 PolarHBondContact O-N 3.13Å; L287-W289 PolarHBondContact O-N 3.41Å; W289-K291 VanDerWaalsContact C-N 3.35Å; W289-T293 HydrophobicContact CE3-CG2 4.38Å; W289-T293 HydrophobicContact CH2-CG2 4.42Å; W289-T293 HydrophobicContact CZ3-CG2 4.1Å; W289-H299 AromaticContact CZ3-NE2 3.96Å
290S98.5Very high98.4Very high0 Ų035.7 Ų35.70%018%0.18CC..Hα-helixtrans-80.2-12.1-178.6-60.40000113.7L286 L287 S288 D292 T293 H299L286-S290 VanDerWaalsContact O-CB 3.26Å; L286-S290 WeakPolarHBondContact O-CB 3.25Å; L286-S290 PolarHBondContact O-N 3.26Å; L286-S290 PolarHBondContact O-OG 3.3Å; L287-S290 PolarHBondContact O-N 2.97Å; S288-S290 VanDerWaalsContact C-N 3.25Å; S288-S290 PolarHBondContact O-N 3.37Å; S290-D292 PolarHBondContact O-N 2.61Å; S290-D292 VanDerWaalsContact O-N 3.16Å; S290-T293 PolarHBondContact O-N 3.09Å; S290-T293 PolarHBondContact O-OG1 3.23Å; S290-H299 PolarHBondContact OG-NE2 2.91Å
291K98.4Very high98.4Very high115 Ų11532.8 Ų32.850%0.516%0.164SC..THydrogen-bonded Turntrans-58.9-31.8-174.3-70-174174.3176.90114.5I164 L287 S288 W289I164-K291 WeakPolarHBondContact CB-O 3.49Å; I164-K291 HydrophobicContact CD1-CG 4.42Å; I164-K291 HydrophobicContact CG1-CB 4.35Å; I164-K291 HydrophobicContact CG1-CG 4.15Å; I164-K291 WeakPolarHBondContact CG2-O 3.32Å; L287-K291 WeakPolarHBondContact O-CG 3.37Å; L287-K291 PolarHBondContact O-N 2.91Å; S288-K291 PolarHBondContact O-N 3.36Å; W289-K291 VanDerWaalsContact C-N 3.35Å
292D98Very high98.4Very high53 Ų5327.4 Ų27.428%0.28314%0.139SC..THydrogen-bonded Turntrans-114.837.7-17867.9-15.9000111.7V232 H233 K251 S290V232-D292 CarbonylContact C-O 3.5Å; V232-D292 WeakPolarHBondContact CA-O 3.41Å; V232-D292 HydrophobicContact CG1-CB 4.11Å; H233-D292 PolarHBondContact N-O 3.2Å; H233-D292 CarbonylContact O-C 3.59Å; H233-D292 VanDerWaalsContact O-CA 3.3Å; H233-D292 WeakPolarHBondContact O-CA 3.43Å; H233-D292 WeakPolarHBondContact O-CB 3.26Å; K251-D292 IonicContact NZ-OD1 3.82Å; K251-D292 PolarHBondContact NZ-OD1 2.89Å; K251-D292 IonicContact NZ-OD2 2.59Å; S290-D292 PolarHBondContact O-N 2.61Å; S290-D292 VanDerWaalsContact O-N 3.16Å
293T98.4Very high98.4Very high3 Ų325.5 Ų25.52%0.01813%0.129CC..SBendtrans-110169.7170.560.50000110.9R228 T229 K251 W289 S290 P296 H299R228-T293 WeakPolarHBondContact O-CB 3.4Å; T229-T293 HydrophobicContact CG2-CG2 4.13Å; K251-T293 HydrophobicContact CD-CG2 3.71Å; W289-T293 HydrophobicContact CE3-CG2 4.38Å; W289-T293 HydrophobicContact CH2-CG2 4.42Å; W289-T293 HydrophobicContact CZ3-CG2 4.1Å; S290-T293 PolarHBondContact O-N 3.09Å; S290-T293 PolarHBondContact O-OG1 3.23Å; T293-P296 WeakPolarHBondContact OG1-CB 3.49Å; T293-H299 PolarHBondContact OG1-CE1 2.82Å; T293-H299 VanDerWaalsContact OG1-CE1 3.24Å
294Y98.1Very high98.4Very high55 Ų5525.5 Ų25.522%0.21613%0.129CC..SBendtrans-94.9127.2173.6-171-89.7000111.6R228 V244R228-Y294 HydrophobicContact CG-CD1 3.87Å; R228-Y294 HydrophobicContact CG-CG 4.35Å; R228-Y294 PolarHBondContact O-N 3.39Å; V244-Y294 HydrophobicContact CB-CD2 4.09Å; V244-Y294 HydrophobicContact CB-CE2 4.13Å; V244-Y294 HydrophobicContact CG1-CD2 3.78Å; V244-Y294 HydrophobicContact CG1-CE2 4.32Å
295S97.8Very high98.4Very high6 Ų622.6 Ų22.64%0.04211%0.114CC..  trans53.558.9-178.3-50.40000113.2G162 D297 E298G162-S295 WeakPolarHBondContact CA-OG 3.17Å; G162-S295 PolarHBondContact O-N 3.46Å; S295-D297 WeakPolarHBondContact CA-OD1 3.27Å; S295-D297 PolarHBondContact O-N 2.73Å; S295-E298 WeakPolarHBondContact O-CB 3.35Å; S295-E298 PolarHBondContact O-N 2.92Å
296P98.4Very high98.3Very high0 Ų021 Ų210%010%0.104CC..G310 helixtrans-63.5-22.5-177.324.8-32.9000114.7I164 L167 T293 E298 H299 F300I164-P296 HydrophobicContact CB-CG 4.11Å; I164-P296 HydrophobicContact CD1-CB 4.16Å; I164-P296 HydrophobicContact CD1-CG 3.65Å; I164-P296 HydrophobicContact CG1-CG 4.49Å; L167-P296 HydrophobicContact CB-CG 4.34Å; L167-P296 HydrophobicContact CD2-CB 4.02Å; L167-P296 HydrophobicContact CD2-CG 4.4Å; T293-P296 WeakPolarHBondContact OG1-CB 3.49Å; P296-E298 PolarHBondContact O-N 2.96Å; P296-H299 WeakPolarHBondContact CA-CE1 3.45Å; P296-H299 PolarHBondContact O-N 3.47Å; P296-F300 WeakPolarHBondContact O-CB 3.5Å; P296-F300 PolarHBondContact O-N 2.99Å
297D97.8Very high98.3Very high13 Ų1322.6 Ų22.67%0.0711%0.113CC..G310 helixtrans-58.5-24.8170.253.3-39.8000113.2R166 L167 A265 S295 W301R166-D297 HydrophobicContact CG-CB 4.45Å; R166-D297 WeakPolarHBondContact CG-OD2 3.39Å; L167-D297 HydrophobicContact CB-CB 4.19Å; A265-D297 HydrophobicContact CB-CB 3.97Å; A265-D297 VanDerWaalsContact CB-OD2 3.24Å; A265-D297 WeakPolarHBondContact CB-OD2 3.42Å; S295-D297 WeakPolarHBondContact CA-OD1 3.27Å; S295-D297 PolarHBondContact O-N 2.73Å; D297-W301 VanDerWaalsContact O-CD1 3.29Å
298E97.9Very high98.2Very high54 Ų5426.4 Ų26.425%0.25214%0.139SC..G310 helixtrans-88.8-5.8177.9-66.1-171.2170.600114.2R228 F262 G263 S295 P296R228-E298 IonicContact CZ-OE2 3.91Å; R228-E298 IonicContact NH1-OE2 3.79Å; R228-E298 PolarHBondContact NH1-OE2 3.36Å; F262-E298 CarbonylContact C-O 3.54Å; F262-E298 WeakPolarHBondContact CA-O 3.23Å; F262-E298 HydrophobicContact CD1-CB 4.33Å; G263-E298 PolarHBondContact N-O 2.9Å; G263-E298 WeakPolarHBondContact O-CB 3.04Å; S295-E298 WeakPolarHBondContact O-CB 3.35Å; S295-E298 PolarHBondContact O-N 2.92Å; P296-E298 PolarHBondContact O-N 2.96Å
299H98.4Very high98Very high0 Ų026.8 Ų26.80%015%0.154CC..THydrogen-bonded Turntrans-126.4-28.9174.370.3-106.5000114.6I260 Y261 F262 W289 S290 T293 P296 V302 T303I260-H299 HydrophobicContact CG2-CB 3.91Å; Y261-H299 WeakPolarHBondContact O-CA 3.36Å; Y261-H299 WeakPolarHBondContact O-CB 3.4Å; F262-H299 HydrophobicContact CD1-CB 4.2Å; F262-H299 HydrophobicContact CD2-CB 4.33Å; F262-H299 HydrophobicContact CE1-CB 4.07Å; F262-H299 HydrophobicContact CE2-CB 4.23Å; F262-H299 HydrophobicContact CG-CB 4.34Å; F262-H299 HydrophobicContact CZ-CB 4.1Å; W289-H299 AromaticContact CZ3-NE2 3.96Å; S290-H299 PolarHBondContact OG-NE2 2.91Å; T293-H299 PolarHBondContact OG1-CE1 2.82Å; T293-H299 VanDerWaalsContact OG1-CE1 3.24Å; P296-H299 WeakPolarHBondContact CA-CE1 3.45Å; P296-H299 PolarHBondContact O-N 3.47Å; H299-V302 WeakPolarHBondContact O-CG1 3.48Å; H299-T303 WeakPolarHBondContact O-CB 3.5Å; H299-T303 PolarHBondContact O-N 2.93Å; H299-T303 PolarHBondContact O-OG1 3.27Å
300F98.7Very high98Very high0 Ų026 Ų260%015%0.152CC..Hα-helixtrans-58.8-55.4-172.8178-104.1000112.2L167 L171 V277 L286 L287 P296 T303 L304L167-F300 HydrophobicContact CD1-CB 4.44Å; L167-F300 HydrophobicContact CD1-CD1 3.81Å; L167-F300 HydrophobicContact CD1-CE1 4.49Å; L167-F300 HydrophobicContact CD1-CG 4.37Å; L167-F300 HydrophobicContact CD2-CB 3.62Å; L167-F300 HydrophobicContact CD2-CD1 3.86Å; L167-F300 HydrophobicContact CD2-CD2 4.22Å; L167-F300 HydrophobicContact CD2-CG 3.63Å; L167-F300 HydrophobicContact CG-CD1 4.42Å; L171-F300 HydrophobicContact CD2-CE1 4.26Å; V277-F300 HydrophobicContact CG1-CE1 3.85Å; V277-F300 HydrophobicContact CG1-CZ 4Å; L286-F300 HydrophobicContact CB-CE2 4.38Å; L286-F300 HydrophobicContact CD2-CD2 3.92Å; L286-F300 HydrophobicContact CD2-CE2 4.26Å; L286-F300 HydrophobicContact CG-CD2 3.92Å; L286-F300 HydrophobicContact CG-CE2 4.19Å; L287-F300 HydrophobicContact CB-CD2 4.48Å; L287-F300 HydrophobicContact CB-CE2 3.64Å; L287-F300 HydrophobicContact CB-CZ 4.08Å; L287-F300 HydrophobicContact CD1-CE2 4.23Å; L287-F300 HydrophobicContact CD1-CZ 4.43Å; P296-F300 WeakPolarHBondContact O-CB 3.5Å; P296-F300 PolarHBondContact O-N 2.99Å; F300-T303 PolarHBondContact O-N 3.16Å; F300-L304 HydrophobicContact CD1-CD1 4.48Å; F300-L304 HydrophobicContact CD2-CD1 4.44Å; F300-L304 HydrophobicContact CE1-CD1 3.9Å; F300-L304 HydrophobicContact CE2-CD1 3.82Å; F300-L304 HydrophobicContact CZ-CD1 3.53Å; F300-L304 PolarHBondContact O-N 2.87Å
301W98.4Very high98Very high5 Ų528.1 Ų28.12%0.01917%0.166CC..Hα-helixtrans-63.2-49.6-175.8-54.3119.1000112.8L167 D170 L171 L174 T216 V267 L269 F273 V277 D297 T303 N305L167-W301 HydrophobicContact CD1-CD2 4.4Å; L167-W301 VanDerWaalsContact CD1-CE2 3.45Å; L167-W301 HydrophobicContact CD1-CH2 4.12Å; L167-W301 HydrophobicContact CD1-CZ2 3.29Å; D170-W301 HydrophobicContact CB-CZ2 4.11Å; L171-W301 HydrophobicContact CD2-CH2 3.67Å; L171-W301 HydrophobicContact CD2-CZ2 4.5Å; L171-W301 HydrophobicContact CD2-CZ3 4.28Å; L171-W301 HydrophobicContact CG-CH2 4.25Å; L174-W301 HydrophobicContact CD2-CH2 4.16Å; L174-W301 HydrophobicContact CD2-CZ3 4.28Å; T216-W301 HydrophobicContact CG2-CB 4.11Å; V267-W301 HydrophobicContact CG1-CB 3.73Å; V267-W301 HydrophobicContact CG1-CG 3.84Å; V267-W301 HydrophobicContact CG2-CD2 4.4Å; V267-W301 HydrophobicContact CG2-CG 4.33Å; L269-W301 HydrophobicContact CD1-CD2 4.28Å; L269-W301 HydrophobicContact CD1-CE3 3.63Å; L269-W301 HydrophobicContact CD1-CH2 4.32Å; L269-W301 HydrophobicContact CD1-CZ3 3.64Å; F273-W301 HydrophobicContact CE1-CE3 4.23Å; V277-W301 HydrophobicContact CG1-CZ3 4.03Å; V277-W301 HydrophobicContact CG2-CZ3 4.23Å; D297-W301 VanDerWaalsContact O-CD1 3.29Å; W301-T303 VanDerWaalsContact C-N 3.35Å; W301-N305 WeakPolarHBondContact O-CB 3.43Å; W301-N305 PolarHBondContact O-N 3.41Å
302V98.2Very high98Very high4 Ų423.6 Ų23.62%0.02415%0.152CC..Hα-helixtrans-66.9-38.2-17860.20000111.2Y261 H299 N305 R306Y261-V302 WeakPolarHBondContact O-CG1 3.06Å; H299-V302 WeakPolarHBondContact O-CG1 3.48Å; V302-N305 PolarHBondContact O-N 3.33Å; V302-R306 HydrophobicContact CG2-CG 4.27Å; V302-R306 WeakPolarHBondContact O-CG 3.11Å; V302-R306 PolarHBondContact O-N 2.04Å; V302-R306 VanDerWaalsContact O-N 3.15Å
303T98.5Very high98Very high1 Ų122.3 Ų22.31%0.00615%0.147CC..Hα-helixtrans-60.7-51.1178.1-63.80000110.7M258 I260 Y261 L286 H299 F300 W301 N305 R306M258-T303 HydrophobicContact CG-CG2 4.39Å; M258-T303 HydrophobicContact SD-CG2 3.86Å; I260-T303 HydrophobicContact CD1-CG2 3.94Å; Y261-T303 PolarHBondContact N-OG1 3.3Å; Y261-T303 PolarHBondContact O-OG1 3.05Å; L286-T303 HydrophobicContact CD2-CG2 3.68Å; H299-T303 WeakPolarHBondContact O-CB 3.5Å; H299-T303 PolarHBondContact O-N 2.93Å; H299-T303 PolarHBondContact O-OG1 3.27Å; F300-T303 PolarHBondContact O-N 3.16Å; W301-T303 VanDerWaalsContact C-N 3.35Å; T303-N305 VanDerWaalsContact C-N 3.31Å; T303-N305 PolarHBondContact O-N 2.97Å; T303-R306 PolarHBondContact O-N 3.14Å; T303-R306 VanDerWaalsContact O-N 3.14Å
304L98.5Very high97.9Very high0 Ų023.7 Ų23.70%015%0.154CC..Hα-helixtrans-61.1-40.6177.5-66.9179.9000112.2F273 F276 V277 L282 A283 L286 F300 R306 I307F273-L304 HydrophobicContact CE2-CB 4.08Å; F273-L304 HydrophobicContact CZ-CB 3.8Å; F276-L304 HydrophobicContact CE1-CD1 4.44Å; F276-L304 HydrophobicContact CE1-CD2 4.37Å; V277-L304 HydrophobicContact CG2-CD1 3.92Å; L282-L304 HydrophobicContact CD2-CD2 3.48Å; L282-L304 VanDerWaalsContact CD2-CD2 3.48Å; A283-L304 HydrophobicContact CB-CD1 3.85Å; A283-L304 HydrophobicContact CB-CD2 4.3Å; L286-L304 HydrophobicContact CB-CD2 4.33Å; L286-L304 HydrophobicContact CD2-CD2 3.59Å; L286-L304 HydrophobicContact CD2-CG 3.72Å; F300-L304 HydrophobicContact CD1-CD1 4.48Å; F300-L304 HydrophobicContact CD2-CD1 4.44Å; F300-L304 HydrophobicContact CE1-CD1 3.9Å; F300-L304 HydrophobicContact CE2-CD1 3.82Å; F300-L304 HydrophobicContact CZ-CD1 3.53Å; F300-L304 PolarHBondContact O-N 2.87Å; L304-R306 PolarHBondContact O-N 3.13Å; L304-R306 VanDerWaalsContact O-N 3.16Å; L304-I307 HydrophobicContact CD2-CD1 4.25Å; L304-I307 PolarHBondContact O-N 2.76Å
305N98.1Very high97.8Very high1 Ų123.2 Ų23.21%0.00516%0.157CC..Hα-helixtrans-69.9-10.5-179-163.342.8000113.9N214 T216 F273 W301 V302 T303 G312 S313 M314N214-N305 WeakPolarHBondContact CB-OD1 3.28Å; N214-N305 PolarHBondContact ND2-OD1 2.98Å; T216-N305 HydrophobicContact CG2-CB 3.92Å; T216-N305 VanDerWaalsContact OG1-CB 3.3Å; T216-N305 WeakPolarHBondContact OG1-CB 3.12Å; T216-N305 PolarHBondContact OG1-ND2 3.01Å; F273-N305 HydrophobicContact CE2-CB 4.32Å; F273-N305 HydrophobicContact CZ-CB 4.38Å; W301-N305 WeakPolarHBondContact O-CB 3.43Å; W301-N305 PolarHBondContact O-N 3.41Å; V302-N305 PolarHBondContact O-N 3.33Å; T303-N305 VanDerWaalsContact C-N 3.31Å; T303-N305 PolarHBondContact O-N 2.97Å; N305-G312 PolarHBondContact OD1-O 3.07Å; N305-S313 WeakPolarHBondContact O-CA 3.21Å; N305-S313 WeakPolarHBondContact O-CB 3.32Å; N305-S313 VanDerWaalsContact OD1-CA 3.29Å; N305-S313 WeakPolarHBondContact OD1-CA 3.43Å; N305-M314 CarbonylContact O-C 3.54Å; N305-M314 PolarHBondContact O-N 3.16Å
306R97.6Very high97.6Very high12 Ų1230.8 Ų30.85%0.04520%0.197CC..THydrogen-bonded Turntrans-91.4-10.7176.6-67.1-81.9-176-101.4-6113.1G218 Y261 V302 T303 L304 P308 M314 P315 A317 S318G218-R306 PolarHBondContact O-NH2 2.75Å; Y261-R306 HydrophobicContact CD1-CG 3.99Å; Y261-R306 HydrophobicContact CD2-CB 3.8Å; Y261-R306 HydrophobicContact CD2-CG 3.67Å; Y261-R306 HydrophobicContact CE1-CG 4.12Å; Y261-R306 HydrophobicContact CE2-CB 3.65Å; Y261-R306 HydrophobicContact CE2-CG 3.82Å; Y261-R306 HydrophobicContact CG-CB 4.41Å; Y261-R306 HydrophobicContact CG-CG 3.77Å; V302-R306 HydrophobicContact CG2-CG 4.27Å; V302-R306 WeakPolarHBondContact O-CG 3.11Å; V302-R306 PolarHBondContact O-N 2.04Å; V302-R306 VanDerWaalsContact O-N 3.15Å; T303-R306 PolarHBondContact O-N 3.14Å; T303-R306 VanDerWaalsContact O-N 3.14Å; L304-R306 PolarHBondContact O-N 3.13Å; L304-R306 VanDerWaalsContact O-N 3.16Å; R306-P308 WeakPolarHBondContact O-CD 3.25Å; R306-M314 PolarHBondContact NH1-O 3.37Å; R306-P315 VanDerWaalsContact CD-O 3.3Å; R306-P315 WeakPolarHBondContact CD-O 3.02Å; R306-P315 WeakPolarHBondContact O-CA 3.47Å; R306-P315 WeakPolarHBondContact O-CB 3.49Å; R306-A317 PolarHBondContact NE-O 3.48Å; R306-A317 VanDerWaalsContact NH1-CB 3.28Å; R306-A317 PolarHBondContact NH1-O 3.16Å; R306-A317 PolarHBondContact NH2-O 3.14Å; R306-S318 PolarHBondContact NH2-O 3.43Å
307I97.6Very high97.2Very high34 Ų3431.9 Ų31.917%0.17421%0.206CC..SBendtrans-80.5119.3-177.6-60.2172.5000109.5M258 L282 L304 G309 V310 S313M258-I307 HydrophobicContact CE-CD1 4.49Å; L282-I307 HydrophobicContact CD1-CD1 4.13Å; L282-I307 HydrophobicContact CD1-CG2 4.41Å; L282-I307 HydrophobicContact CD2-CD1 3.35Å; L282-I307 HydrophobicContact CG-CD1 4.32Å; L304-I307 HydrophobicContact CD2-CD1 4.25Å; L304-I307 PolarHBondContact O-N 2.76Å; I307-G309 PolarHBondContact O-N 3.49Å; I307-V310 HydrophobicContact CB-CG2 3.76Å; I307-V310 HydrophobicContact CG2-CG2 3.87Å; I307-V310 WeakPolarHBondContact O-CB 3.18Å; I307-V310 PolarHBondContact O-N 3.45Å; I307-S313 VanDerWaalsContact O-CB 3.3Å; I307-S313 WeakPolarHBondContact O-CB 3.43Å; I307-S313 PolarHBondContact O-OG 2.85Å
308P96.7Very high96.9Very high102 Ų10234.1 Ų34.166%0.66222%0.223SC*.THydrogen-bonded Turntrans-58.3135176.8-23.634.2000111.8R306 P315R306-P308 WeakPolarHBondContact O-CD 3.25Å; P308-P315 HydrophobicContact CB-CG 4.28Å; P308-P315 HydrophobicContact CG-CB 4.29Å; P308-P315 HydrophobicContact CG-CG 3.96Å
309G96.1Very high96.7Very high81 Ų8138 Ų3884%0.83524%0.235SC*.THydrogen-bonded Turntrans93.1-15179.500000114.6I307I307-G309 PolarHBondContact O-N 3.49Å
310V98.1Very high96.3Very high8 Ų841.7 Ų41.75%0.04826%0.258CS..SBendtrans-66.5139.5170.6170.80000109.9F273 F276 I307 G312 S313F273-V310 HydrophobicContact CD2-CG1 3.55Å; F273-V310 HydrophobicContact CE2-CG1 3.48Å; F273-V310 VanDerWaalsContact CE2-CG1 3.48Å; F276-V310 HydrophobicContact CD1-CG1 3.74Å; F276-V310 HydrophobicContact CE1-CB 4.4Å; F276-V310 HydrophobicContact CE1-CG1 3.59Å; F276-V310 HydrophobicContact CE1-CG2 3.9Å; F276-V310 HydrophobicContact CE2-CG2 4.05Å; F276-V310 HydrophobicContact CG-CG1 4.3Å; F276-V310 HydrophobicContact CZ-CB 4.39Å; F276-V310 HydrophobicContact CZ-CG1 4.04Å; F276-V310 HydrophobicContact CZ-CG2 3.53Å; I307-V310 HydrophobicContact CB-CG2 3.76Å; I307-V310 HydrophobicContact CG2-CG2 3.87Å; I307-V310 WeakPolarHBondContact O-CB 3.18Å; I307-V310 PolarHBondContact O-N 3.45Å; V310-G312 PolarHBondContact O-N 3.38Å; V310-S313 WeakPolarHBondContact O-CB 3.46Å; V310-S313 PolarHBondContact O-N 2.67Å; V310-S313 PolarHBondContact O-OG 2.93Å
311P98.6Very high95.9Very high44 Ų4441.7 Ų41.729%0.28626%0.259SS..THydrogen-bonded Turntrans-54.7126.1-177.3-28.936.3000113.1N214 D272 F273 F276 S313N214-P311 PolarHBondContact ND2-O 3.2Å; D272-P311 HydrophobicContact CB-CB 3.81Å; D272-P311 HydrophobicContact CB-CG 4.49Å; F273-P311 VanDerWaalsContact CD2-O 3.28Å; F273-P311 WeakPolarHBondContact CD2-O 3.43Å; F276-P311 HydrophobicContact CB-CG 4.09Å; P311-S313 PolarHBondContact O-N 2.75Å
312G98.1Very high95.7Very high20 Ų2045 Ų4521%0.20628%0.277CS..THydrogen-bonded Turntrans68.511.3-178.800000115.5G212 R213 N214 N305 V310G212-G312 VanDerWaalsContact O-CA 3.26Å; G212-G312 WeakPolarHBondContact O-CA 3.38Å; R213-G312 CarbonylContact C-O 3.49Å; R213-G312 VanDerWaalsContact CA-O 3.31Å; R213-G312 WeakPolarHBondContact CA-O 3.32Å; N214-G312 PolarHBondContact N-O 2.64Å; N214-G312 VanDerWaalsContact ND2-C 3.28Å; N214-G312 PolarHBondContact ND2-O 3.41Å; N305-G312 PolarHBondContact OD1-O 3.07Å; V310-G312 PolarHBondContact O-N 3.38Å
313S97.8Very high95.6Very high25 Ų2545.1 Ų45.118%0.17528%0.277CS..  trans-54.8149-179.153.10000114.1N305 I307 V310 P311N305-S313 WeakPolarHBondContact O-CA 3.21Å; N305-S313 WeakPolarHBondContact O-CB 3.32Å; N305-S313 VanDerWaalsContact OD1-CA 3.29Å; N305-S313 WeakPolarHBondContact OD1-CA 3.43Å; I307-S313 VanDerWaalsContact O-CB 3.3Å; I307-S313 WeakPolarHBondContact O-CB 3.43Å; I307-S313 PolarHBondContact O-OG 2.85Å; V310-S313 WeakPolarHBondContact O-CB 3.46Å; V310-S313 PolarHBondContact O-N 2.67Å; V310-S313 PolarHBondContact O-OG 2.93Å; P311-S313 PolarHBondContact O-N 2.75Å
314M96.8Very high95.6Very high32 Ų3246.3 Ų46.316%0.15828%0.282CS..  trans-131.676.6173.6-63.2-169.375.800110.5F210 R213 N305 R306 N316 A317F210-M314 HydrophobicContact CD1-SD 4.5Å; R213-M314 HydrophobicContact CB-CG 3.9Å; R213-M314 HydrophobicContact CB-SD 3.97Å; R213-M314 HydrophobicContact CG-CG 4.32Å; N305-M314 CarbonylContact O-C 3.54Å; N305-M314 PolarHBondContact O-N 3.16Å; R306-M314 PolarHBondContact NH1-O 3.37Å; M314-N316 PolarHBondContact O-N 2.85Å; M314-N316 VanDerWaalsContact O-N 3.15Å; M314-A317 HydrophobicContact CB-CB 3.69Å; M314-A317 HydrophobicContact CE-CB 3.94Å; M314-A317 PolarHBondContact O-N 2.71Å; M314-A317 HydrophobicContact SD-CB 4.29Å
315P95.4Very high95.5Very high45 Ų4546.5 Ų46.529%0.29228%0.283SS..THydrogen-bonded Turntrans-56.3-35.4-174.3-27.635.9000114.5R306 P308R306-P315 VanDerWaalsContact CD-O 3.3Å; R306-P315 WeakPolarHBondContact CD-O 3.02Å; R306-P315 WeakPolarHBondContact O-CA 3.47Å; R306-P315 WeakPolarHBondContact O-CB 3.49Å; P308-P315 HydrophobicContact CB-CG 4.28Å; P308-P315 HydrophobicContact CG-CB 4.29Å; P308-P315 HydrophobicContact CG-CG 3.96Å
316N93.6Very high95.5Very high165 Ų16547.8 Ų47.888%0.88229%0.29SS*.THydrogen-bonded Turntrans-100.46-175.3-60.1-31.6000114.2M314M314-N316 PolarHBondContact O-N 2.85Å; M314-N316 VanDerWaalsContact O-N 3.15Å
317A90.8Very high95.5Very high23 Ų2347.3 Ų47.319%0.1929%0.288CS..  trans-74.4159.3178.800000111.6R306 M314R306-A317 PolarHBondContact NE-O 3.48Å; R306-A317 VanDerWaalsContact NH1-CB 3.28Å; R306-A317 PolarHBondContact NH1-O 3.16Å; R306-A317 PolarHBondContact NH2-O 3.14Å; M314-A317 HydrophobicContact CB-CB 3.69Å; M314-A317 HydrophobicContact CE-CB 3.94Å; M314-A317 PolarHBondContact O-N 2.71Å; M314-A317 HydrophobicContact SD-CB 4.29Å
318S91.9Very high95.4Very high61 Ų6149.9 Ų49.943%0.42730%0.295SS..  trans-119.7-121.8174.8178.70000107.9G218 R306 T320G218-S318 PolarHBondContact N-O 3.39Å; G218-S318 VanDerWaalsContact N-O 3.13Å; G218-S318 CarbonylContact O-C 3.59Å; G218-S318 WeakPolarHBondContact O-CA 3.06Å; R306-S318 PolarHBondContact NH2-O 3.43Å; S318-T320 PolarHBondContact O-N 3.4Å
319W91.8Very high95.3Very high134 Ų13447.6 Ų47.651%0.50828%0.282SS..SBendtrans-85.123.7-178.3-133.1-96.6000115P217 G218 V219 T264P217-W319 HydrophobicContact CB-CD2 4.29Å; P217-W319 HydrophobicContact CB-CG 4.14Å; G218-W319 VanDerWaalsContact CA-CZ3 3.42Å; V219-W319 HydrophobicContact CB-CZ3 4.31Å; V219-W319 HydrophobicContact CG1-CE3 3.91Å; V219-W319 HydrophobicContact CG1-CZ3 4.11Å; V219-W319 HydrophobicContact CG2-CE3 4.38Å; V219-W319 HydrophobicContact CG2-CZ3 3.72Å; T264-W319 HydrophobicContact CG2-CZ2 4.08Å
320T90.3Very high95.3Very high78 Ų7849.9 Ų49.948%0.47928%0.275SS..THydrogen-bonded Turntrans-69.4136.3-176.7-49.40000111.3F210 S318F210-T320 HydrophobicContact CE1-CG2 4.26Å; F210-T320 HydrophobicContact CZ-CG2 4.45Å; S318-T320 PolarHBondContact O-N 3.4Å
321G91Very high95.1Very high1 Ų153.8 Ų53.81%0.0129%0.294CS..THydrogen-bonded Turntrans139.7-22.5166.500000116.9Y206 I215 L323Y206-G321 WeakPolarHBondContact CE1-O 3.44Å; Y206-G321 WeakPolarHBondContact OH-CA 3.41Å; Y206-G321 PolarHBondContact OH-O 2.85Å; I215-G321 VanDerWaalsContact CG2-CA 3.41Å; G321-L323 PolarHBondContact O-N 3.49Å
322N94Very high94.8Very high75 Ų7555.7 Ų55.740%0.40130%0.299SS..  trans40.745.2179.1-60.3-23.8000113.2S362 L363N322-S362 CarbonylContact O-C 3.57Å; N322-S362 WeakPolarHBondContact O-CA 3.37Å; N322-S362 VanDerWaalsContact O-CB 3.24Å; N322-S362 WeakPolarHBondContact O-CB 3.39Å; N322-L363 PolarHBondContact O-N 2.89Å
323L97Very high94.6Very high6 Ų662.9 Ų62.93%0.03133%0.333CS..  trans-70.8-39.9-175.7-67179000111.3I215 Y266 V267 A268 G321 L363 F364I215-L323 HydrophobicContact CB-CD1 4.05Å; I215-L323 HydrophobicContact CB-CD2 4.36Å; I215-L323 HydrophobicContact CB-CG 4.42Å; I215-L323 HydrophobicContact CD1-CD2 4.17Å; I215-L323 HydrophobicContact CG2-CD1 3.72Å; I215-L323 HydrophobicContact CG2-CD2 4Å; I215-L323 HydrophobicContact CG2-CG 3.75Å; Y266-L323 WeakPolarHBondContact O-CD1 3.43Å; V267-L323 VanDerWaalsContact C-CD1 3.47Å; V267-L323 VanDerWaalsContact CA-CD1 3.5Å; A268-L323 HydrophobicContact CB-CD1 4.2Å; A268-L323 HydrophobicContact CB-CD2 3.95Å; G321-L323 PolarHBondContact O-N 3.49Å; L323-L363 HydrophobicContact CD2-CD1 3.84Å; L323-F364 PolarHBondContact O-N 3.06Å
324R97.2Very high94.3Very high26 Ų2666 Ų6610%0.09836%0.355CS..EExtended strand (participates in β ladder)trans-130.9125.6-176-151.771.555.8-178.1-9.2111.1N189 D194 Y266 I326 F364 N366N189-R324 PolarHBondContact O-NH2 2.89Å; D194-R324 IonicContact OD1-CZ 3.14Å; D194-R324 IonicContact OD1-NE 2.75Å; D194-R324 IonicContact OD1-NH1 2.63Å; D194-R324 IonicContact OD2-CZ 3.54Å; D194-R324 VanDerWaalsContact OD2-CZ 3.28Å; D194-R324 IonicContact OD2-NE 2.87Å; D194-R324 IonicContact OD2-NH1 3.53Å; D194-R324 PolarHBondContact OD2-NH1 2.89Å; D194-R324 IonicContact OD2-NH2 2.69Å; Y266-R324 HydrophobicContact CD2-CB 3.93Å; Y266-R324 HydrophobicContact CD2-CG 3.92Å; Y266-R324 HydrophobicContact CE2-CB 4.44Å; Y266-R324 HydrophobicContact CE2-CG 3.94Å; Y266-R324 HydrophobicContact CG-CB 4.24Å; Y266-R324 HydrophobicContact CG-CG 4.33Å; R324-I326 HydrophobicContact CB-CD1 4.26Å; R324-I326 HydrophobicContact CB-CG1 4.13Å; R324-I326 HydrophobicContact CG-CD1 4.04Å; R324-I326 HydrophobicContact CG-CG1 3.78Å; R324-F364 CarbonylContact C-O 3.54Å; R324-F364 WeakPolarHBondContact CA-O 3.29Å; R324-N366 HydrophobicContact CG-CB 3.8Å
325A97.4Very high94.1Very high4 Ų465.3 Ų65.33%0.03335%0.351CS..EExtended strand (participates in β ladder)trans-78.9126161.800000108.4L197 Y349 W356 S360 S362 F364 A365 N366L197-A325 HydrophobicContact CD1-CB 4.23Å; A325-Y349 PolarHBondContact O-OH 3.49Å; A325-W356 HydrophobicContact CB-CH2 3.74Å; A325-W356 HydrophobicContact CB-CZ3 3.78Å; A325-S360 WeakPolarHBondContact CB-OG 3.16Å; A325-S362 PolarHBondContact N-OG 3.38Å; A325-F364 PolarHBondContact N-O 2.86Å; A325-A365 HydrophobicContact CB-CB 3.97Å; A325-A365 WeakPolarHBondContact O-CA 3.32Å; A325-N366 PolarHBondContact O-N 3.26Å
326I96.9Very high94Very high27 Ų2765.8 Ų65.814%0.13836%0.364CS..EExtended strand (participates in β ladder)trans-138.2132.7178.9-54.3-178.8000107.3Y266 R324 W328 I346 Y349 N366Y266-I326 HydrophobicContact CD2-CD1 4.26Å; Y266-I326 HydrophobicContact CE2-CD1 3.91Å; R324-I326 HydrophobicContact CB-CD1 4.26Å; R324-I326 HydrophobicContact CB-CG1 4.13Å; R324-I326 HydrophobicContact CG-CD1 4.04Å; R324-I326 HydrophobicContact CG-CG1 3.78Å; I326-W328 HydrophobicContact CD1-CZ2 4.13Å; I326-W328 HydrophobicContact CG2-CD2 4.07Å; I326-W328 HydrophobicContact CG2-CG 4.27Å; I326-W328 HydrophobicContact CG2-CZ2 4.03Å; I326-I346 HydrophobicContact CG2-CG1 4.33Å; I326-I346 HydrophobicContact CG2-CG2 3.8Å; I326-Y349 WeakPolarHBondContact CA-OH 3.29Å; I326-N366 HydrophobicContact CG1-CB 4.32Å
327K97.5Very high94.1Very high2 Ų258.5 Ų58.51%0.00933%0.328CS..  trans-99.3109.6169.9-79.1-172.6171.2-161.30108.8H335 G337 C347 Y349 D353 W356K327-H335 HydrophobicContact CD-CB 4.28Å; K327-H335 VanDerWaalsContact CD-ND1 3.32Å; K327-H335 WeakPolarHBondContact CD-ND1 3.47Å; K327-H335 WeakPolarHBondContact CE-O 3.3Å; K327-H335 HydrophobicContact CG-CB 4.01Å; K327-H335 PolarHBondContact NZ-O 3.31Å; K327-G337 PolarHBondContact NZ-O 3.46Å; K327-C347 HydrophobicContact CB-CB 3.58Å; K327-C347 WeakPolarHBondContact O-CB 3.28Å; K327-C347 PolarHBondContact O-N 3.02Å; K327-Y349 HydrophobicContact CB-CE1 4.14Å; K327-Y349 HydrophobicContact CD-CD1 4.39Å; K327-Y349 HydrophobicContact CD-CE1 3.92Å; K327-Y349 HydrophobicContact CG-CE1 3.88Å; K327-D353 IonicContact NZ-OD1 2.92Å; K327-D353 PolarHBondContact NZ-OD1 2.93Å; K327-W356 HydrophobicContact CD-CD2 4.46Å; K327-W356 HydrophobicContact CD-CE3 4.44Å; K327-W356 HydrophobicContact CG-CD2 4.46Å; K327-W356 HydrophobicContact CG-CE3 4.34Å; K327-W356 HydrophobicContact CG-CH2 3.83Å; K327-W356 HydrophobicContact CG-CZ2 3.96Å; K327-W356 HydrophobicContact CG-CZ3 4.04Å
328W95.9Very high94.3Very high88 Ų8858.7 Ų58.733%0.33333%0.328SS..BIsolated β-bridgetrans-90.3140.8176.2-58.691.8000110.4I326 D330 M331 H335 G345 I346I326-W328 HydrophobicContact CD1-CZ2 4.13Å; I326-W328 HydrophobicContact CG2-CD2 4.07Å; I326-W328 HydrophobicContact CG2-CG 4.27Å; I326-W328 HydrophobicContact CG2-CZ2 4.03Å; W328-D330 WeakPolarHBondContact CB-OD1 3.26Å; W328-D330 PolarHBondContact O-N 3.32Å; W328-M331 HydrophobicContact CB-CB 4.44Å; W328-M331 HydrophobicContact CB-CE 4.12Å; W328-M331 HydrophobicContact CB-CG 4.18Å; W328-M331 HydrophobicContact CB-SD 4.36Å; W328-M331 HydrophobicContact CG-CE 4.01Å; W328-M331 PolarHBondContact O-N 3.16Å; W328-H335 PolarHBondContact O-NE2 2.94Å; W328-G345 WeakPolarHBondContact CA-O 3.26Å; W328-I346 HydrophobicContact CD2-CG1 4.43Å; W328-I346 HydrophobicContact CE3-CD1 4.47Å; W328-I346 HydrophobicContact CE3-CG1 3.76Å; W328-I346 HydrophobicContact CH2-CD1 3.89Å; W328-I346 HydrophobicContact CH2-CG1 4.08Å; W328-I346 HydrophobicContact CZ3-CD1 3.8Å; W328-I346 HydrophobicContact CZ3-CG1 3.57Å
329S96.1Very high94.5Very high55 Ų5560.8 Ų60.839%0.38533%0.33SS..G310 helixtrans-66.1-20.6-17858.20000113.7M331 E332 G345S329-M331 VanDerWaalsContact C-N 3.3Å; S329-E332 WeakPolarHBondContact O-CG 3.38Å; S329-G345 PolarHBondContact N-O 3.25Å; S329-G345 WeakPolarHBondContact OG-CA 3.43Å; S329-G345 PolarHBondContact OG-O 2.98Å
330D94.1Very high94.7Very high129 Ų12955.4 Ų55.469%0.6932%0.317SS*.G310 helixtrans-87.82.217563.2-18.3000113.1W328W328-D330 WeakPolarHBondContact CB-OD1 3.26Å; W328-D330 PolarHBondContact O-N 3.32Å
331M94.3Very high95Very high90 Ų9054.8 Ų54.844%0.44331%0.308SS..G310 helixtrans-124.522.9-179.7-56.1-174.7-152.900113.1W328 S329 D333 S334 H335W328-M331 HydrophobicContact CB-CB 4.44Å; W328-M331 HydrophobicContact CB-CE 4.12Å; W328-M331 HydrophobicContact CB-CG 4.18Å; W328-M331 HydrophobicContact CB-SD 4.36Å; W328-M331 HydrophobicContact CG-CE 4.01Å; W328-M331 PolarHBondContact O-N 3.16Å; S329-M331 VanDerWaalsContact C-N 3.3Å; M331-D333 PolarHBondContact O-N 3.34Å; M331-D333 VanDerWaalsContact O-N 3.16Å; M331-S334 WeakPolarHBondContact O-CB 3.36Å; M331-S334 PolarHBondContact O-N 3.5Å; M331-S334 PolarHBondContact O-OG 2.94Å; M331-H335 PolarHBondContact O-CD2 3.38Å; M331-H335 PolarHBondContact O-NE2 2.87Å
332E93.7Very high95.3Very high83 Ų8358.1 Ų58.139%0.38832%0.321SS..Hα-helixtrans-52.2-40.7-174.3-66.9-160.4132.900114.2S329 S334 H335 G336 G337 Y342S329-E332 WeakPolarHBondContact O-CG 3.38Å; E332-S334 PolarHBondContact O-N 3.34Å; E332-S334 VanDerWaalsContact O-N 3.16Å; E332-H335 PolarHBondContact O-N 3.46Å; E332-H335 VanDerWaalsContact O-N 3.12Å; E332-G336 PolarHBondContact O-N 3.09Å; E332-G337 PolarHBondContact O-N 2.86Å; E332-G337 VanDerWaalsContact O-N 3.16Å; E332-Y342 VanDerWaalsContact CG-OH 3.29Å; E332-Y342 WeakPolarHBondContact CG-OH 3.47Å; E332-Y342 WeakPolarHBondContact OE1-CE2 3.37Å; E332-Y342 PolarHBondContact OE1-OH 3.03Å
333D92.5Very high95.3Very high172 Ų17257 Ų5792%0.9232%0.317SS*.Hα-helixtrans-59.5-28.4179.1-64.4-25.8000112.8M331M331-D333 PolarHBondContact O-N 3.34Å; M331-D333 VanDerWaalsContact O-N 3.16Å
334S91.2Very high95.1Very high91 Ų9163.4 Ų63.464%0.63635%0.346SS*.Hα-helixtrans-80.2-22.4-178.974.20000113.8M331 E332M331-S334 WeakPolarHBondContact O-CB 3.36Å; M331-S334 PolarHBondContact O-N 3.5Å; M331-S334 PolarHBondContact O-OG 2.94Å; E332-S334 PolarHBondContact O-N 3.34Å; E332-S334 VanDerWaalsContact O-N 3.16Å
335H93.1Very high94.9Very high16 Ų1663.2 Ų63.27%0.07435%0.352CS..Hα-helixtrans-131.70.7-167.766.463.6000114.3K327 W328 M331 E332 G337 W356K327-H335 HydrophobicContact CD-CB 4.28Å; K327-H335 VanDerWaalsContact CD-ND1 3.32Å; K327-H335 WeakPolarHBondContact CD-ND1 3.47Å; K327-H335 WeakPolarHBondContact CE-O 3.3Å; K327-H335 HydrophobicContact CG-CB 4.01Å; K327-H335 PolarHBondContact NZ-O 3.31Å; W328-H335 PolarHBondContact O-NE2 2.94Å; M331-H335 PolarHBondContact O-CD2 3.38Å; M331-H335 PolarHBondContact O-NE2 2.87Å; E332-H335 PolarHBondContact O-N 3.46Å; E332-H335 VanDerWaalsContact O-N 3.12Å; H335-G337 PolarHBondContact ND1-N 2.95Å; H335-G337 PolarHBondContact ND1-O 3.23Å; H335-W356 HydrophobicContact CB-CZ2 4.21Å
336G93.6Very high94.9Very high55 Ų5564 Ų6457%0.56736%0.355SS*.THydrogen-bonded Turntrans80.326.517500000114E332 H339E332-G336 PolarHBondContact O-N 3.09Å; G336-H339 PolarHBondContact O-CE1 3.44Å; G336-H339 VanDerWaalsContact O-CE1 3.26Å
337G94.9Very high94.9Very high13 Ų1362.7 Ų62.713%0.13435%0.349CS..  trans73.8173.6-178.800000114.4K327 E332 H335K327-G337 PolarHBondContact NZ-O 3.46Å; E332-G337 PolarHBondContact O-N 2.86Å; E332-G337 VanDerWaalsContact O-N 3.16Å; H335-G337 PolarHBondContact ND1-N 2.95Å; H335-G337 PolarHBondContact ND1-O 3.23Å
338C96.5Very high95Very high26 Ų2662.7 Ų62.718%0.17635%0.349CS..  trans-94.6128.4175.7-175.70000110.5Y342 C347C338-Y342 HydrophobicContact CB-CD1 4.48Å; C338-Y342 HydrophobicContact CB-CD2 4.18Å; C338-Y342 HydrophobicContact CB-CE1 3.83Å; C338-Y342 HydrophobicContact CB-CE2 3.5Å; C338-Y342 VanDerWaalsContact CB-CE2 3.5Å; C338-Y342 WeakPolarHBondContact CB-OH 3.46Å; C338-Y342 PolarHBondContact N-OH 2.85Å; C338-C347 VanDerWaalsContact CA-SG 3.6Å; C338-C347 HydrophobicContact CB-CB 3.7Å; C338-C347 WeakPolarHBondContact CB-SG 3.5Å; C338-C347 VanDerWaalsContact SG-CA 3.57Å; C338-C347 WeakPolarHBondContact SG-CB 3.47Å; C338-C347 CovalentContact SG-SG 2.04Å; C338-C347 PolarHBondContact SG-SG 3.13Å
339H95.4Very high95.1Very high105 Ų10558.5 Ų58.549%0.48633%0.333SS..SBendtrans-99.49.5177.7-59.682.7000112.9G336 D353G336-H339 PolarHBondContact O-CE1 3.44Å; G336-H339 VanDerWaalsContact O-CE1 3.26Å; H339-D353 WeakPolarHBondContact CA-OD2 3.42Å; H339-D353 IonicContact CG-OD1 3.56Å; H339-D353 PolarHBondContact N-OD1 3.32Å; H339-D353 PolarHBondContact N-OD2 3.39Å; H339-D353 IonicContact ND1-OD1 3.79Å; H339-D353 PolarHBondContact ND1-OD1 3.11Å
340G95.8Very high95Very high21 Ų2155.9 Ų55.922%0.21632%0.315CS..SBendtrans-112.3-109.5163.500000110.6I348 Y373G340-I348 VanDerWaalsContact CA-O 3.29Å; G340-I348 WeakPolarHBondContact CA-O 3.49Å; G340-Y373 WeakPolarHBondContact CA-OH 3.49Å; G340-Y373 PolarHBondContact O-OH 3.34Å
341H97Very high94.9Very high65 Ų6551.5 Ų51.530%0.30129%0.291SS..EExtended strand (participates in β ladder)trans-150.4159.3175.866.5-82.1000112.3I348 E369 Y373H341-I348 PolarHBondContact N-O 3.48Å; H341-I348 WeakPolarHBondContact NE2-CD1 3.24Å; H341-I348 PolarHBondContact O-N 2.63Å; H341-E369 IonicContact CE1-OE2 3.99Å; H341-E369 PolarHBondContact CE1-OE2 2.94Å; H341-E369 IonicContact NE2-OE2 3.45Å; H341-Y373 AromaticContact ND1-CE2 3.5Å; H341-Y373 AromaticContact ND1-CZ 3.76Å; H341-Y373 PolarHBondContact ND1-OH 3.08Å; H341-Y373 VanDerWaalsContact ND1-OH 3.11Å
342Y97.1Very high94.8Very high72 Ų7249.3 Ų49.328%0.28229%0.292SS..EExtended strand (participates in β ladder)trans-93137178.6-70.8-75.9000112.5E332 C338 I346 C347E332-Y342 VanDerWaalsContact CG-OH 3.29Å; E332-Y342 WeakPolarHBondContact CG-OH 3.47Å; E332-Y342 WeakPolarHBondContact OE1-CE2 3.37Å; E332-Y342 PolarHBondContact OE1-OH 3.03Å; C338-Y342 HydrophobicContact CB-CD1 4.48Å; C338-Y342 HydrophobicContact CB-CD2 4.18Å; C338-Y342 HydrophobicContact CB-CE1 3.83Å; C338-Y342 HydrophobicContact CB-CE2 3.5Å; C338-Y342 VanDerWaalsContact CB-CE2 3.5Å; C338-Y342 WeakPolarHBondContact CB-OH 3.46Å; C338-Y342 PolarHBondContact N-OH 2.85Å; Y342-I346 WeakPolarHBondContact CA-O 3.14Å; Y342-C347 HydrophobicContact CD1-CB 4.17Å; Y342-C347 HydrophobicContact CE1-CB 3.86Å
343V95Very high94.9Very high51 Ų5145.4 Ų45.431%0.30927%0.274SS..EExtended strand (participates in β ladder)trans-128.5119.6166.7173.10000108.6G345 I346 I348V343-G345 PolarHBondContact O-N 3.18Å; V343-I346 PolarHBondContact N-O 2.73Å; V343-I346 PolarHBondContact O-N 3.21Å; V343-I346 VanDerWaalsContact O-N 3.11Å; V343-I348 HydrophobicContact CB-CD1 3.99Å; V343-I348 HydrophobicContact CG2-CD1 3.48Å; V343-I348 VanDerWaalsContact CG2-CD1 3.48Å
344H91.1Very high94.9Very high141 Ų14137.2 Ų37.265%0.65323%0.23SC*.THydrogen-bonded Turntrans52.439.7-174.7-54.3157.6000113.2I346H344-I346 PolarHBondContact O-N 3.14Å
345G93.9Very high95Very high21 Ų2139.8 Ų39.822%0.21623%0.23CC..THydrogen-bonded Turntrans75.74.7179.300000115.4W328 S329 V343W328-G345 WeakPolarHBondContact CA-O 3.26Å; S329-G345 PolarHBondContact N-O 3.25Å; S329-G345 WeakPolarHBondContact OG-CA 3.43Å; S329-G345 PolarHBondContact OG-O 2.98Å; V343-G345 PolarHBondContact O-N 3.18Å
346I96.8Very high95.2Very high21 Ų2142.6 Ų42.611%0.10824%0.24CC..EExtended strand (participates in β ladder)trans-109.6131.1175-62.2170.6000109.3I326 W328 Y342 V343 H344 K367I326-I346 HydrophobicContact CG2-CG1 4.33Å; I326-I346 HydrophobicContact CG2-CG2 3.8Å; W328-I346 HydrophobicContact CD2-CG1 4.43Å; W328-I346 HydrophobicContact CE3-CD1 4.47Å; W328-I346 HydrophobicContact CE3-CG1 3.76Å; W328-I346 HydrophobicContact CH2-CD1 3.89Å; W328-I346 HydrophobicContact CH2-CG1 4.08Å; W328-I346 HydrophobicContact CZ3-CD1 3.8Å; W328-I346 HydrophobicContact CZ3-CG1 3.57Å; Y342-I346 WeakPolarHBondContact CA-O 3.14Å; V343-I346 PolarHBondContact N-O 2.73Å; V343-I346 PolarHBondContact O-N 3.21Å; V343-I346 VanDerWaalsContact O-N 3.11Å; H344-I346 PolarHBondContact O-N 3.14Å; I346-K367 HydrophobicContact CG2-CD 4.15Å; I346-K367 HydrophobicContact CG2-CG 4.15Å
347C98.3Very high95.3Very high0 Ų040 Ų400%021%0.213CC..EExtended strand (participates in β ladder)trans-68.2130.3177.3-178.40000111.5K327 C338 Y342 K367K327-C347 HydrophobicContact CB-CB 3.58Å; K327-C347 WeakPolarHBondContact O-CB 3.28Å; K327-C347 PolarHBondContact O-N 3.02Å; C338-C347 VanDerWaalsContact CA-SG 3.6Å; C338-C347 HydrophobicContact CB-CB 3.7Å; C338-C347 WeakPolarHBondContact CB-SG 3.5Å; C338-C347 VanDerWaalsContact SG-CA 3.57Å; C338-C347 WeakPolarHBondContact SG-CB 3.47Å; C338-C347 CovalentContact SG-SG 2.04Å; C338-C347 PolarHBondContact SG-SG 3.13Å; Y342-C347 HydrophobicContact CD1-CB 4.17Å; Y342-C347 HydrophobicContact CE1-CB 3.86Å; C347-K367 PolarHBondContact O-N 3.16Å
348I98.2Very high95.3Very high1 Ų141 Ų411%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-88.5115.6157-67.8161.8000106.4G340 H341 V343 K367 E369 Y373G340-I348 VanDerWaalsContact CA-O 3.29Å; G340-I348 WeakPolarHBondContact CA-O 3.49Å; H341-I348 PolarHBondContact N-O 3.48Å; H341-I348 WeakPolarHBondContact NE2-CD1 3.24Å; H341-I348 PolarHBondContact O-N 2.63Å; V343-I348 HydrophobicContact CB-CD1 3.99Å; V343-I348 HydrophobicContact CG2-CD1 3.48Å; V343-I348 VanDerWaalsContact CG2-CD1 3.48Å; I348-K367 WeakPolarHBondContact CA-O 3.49Å; I348-K367 HydrophobicContact CG1-CB 3.87Å; I348-K367 HydrophobicContact CG1-CD 4.48Å; I348-E369 HydrophobicContact CD1-CG 4.28Å; I348-E369 WeakPolarHBondContact CD1-OE1 3.41Å; I348-E369 HydrophobicContact CG2-CB 3.94Å; I348-E369 HydrophobicContact CG2-CG 3.74Å; I348-Y373 HydrophobicContact CG2-CD2 4.1Å; I348-Y373 HydrophobicContact CG2-CE2 4Å
349Y98.1Very high95.3Very high0 Ų045.3 Ų45.30%024%0.237CC..  trans-67132.2-169.6-60.6-62.9000112.7A325 I326 K327 D353 W356 L357 A365 N366 K367 F368 Y373A325-Y349 PolarHBondContact O-OH 3.49Å; I326-Y349 WeakPolarHBondContact CA-OH 3.29Å; K327-Y349 HydrophobicContact CB-CE1 4.14Å; K327-Y349 HydrophobicContact CD-CD1 4.39Å; K327-Y349 HydrophobicContact CD-CE1 3.92Å; K327-Y349 HydrophobicContact CG-CE1 3.88Å; Y349-D353 HydrophobicContact CD1-CB 3.81Å; Y349-D353 HydrophobicContact CG-CB 4.37Å; Y349-W356 HydrophobicContact CE1-CE3 4.27Å; Y349-W356 AromaticContact CE1-CZ3 3.89Å; Y349-W356 HydrophobicContact CE1-CZ3 3.89Å; Y349-W356 AromaticContact CZ-CZ3 3.98Å; Y349-W356 WeakPolarHBondContact OH-CZ3 3.48Å; Y349-L357 HydrophobicContact CD1-CD1 4.24Å; Y349-L357 HydrophobicContact CD1-CD2 4.21Å; Y349-L357 HydrophobicContact CD1-CG 4.42Å; Y349-L357 HydrophobicContact CD2-CD1 4.19Å; Y349-L357 HydrophobicContact CD2-CD2 3.89Å; Y349-L357 HydrophobicContact CE1-CD2 4.05Å; Y349-L357 HydrophobicContact CE2-CD2 3.72Å; Y349-L357 HydrophobicContact CG-CD1 3.87Å; Y349-L357 HydrophobicContact CG-CD2 4.14Å; Y349-L357 HydrophobicContact CG-CG 4.41Å; Y349-A365 HydrophobicContact CE2-CB 3.84Å; Y349-N366 VanDerWaalsContact CE2-O 3.25Å; Y349-N366 WeakPolarHBondContact CE2-O 3.26Å; Y349-N366 PolarHBondContact OH-O 3.39Å; Y349-N366 VanDerWaalsContact OH-O 3.11Å; Y349-K367 WeakPolarHBondContact CD2-O 3.5Å; Y349-K367 PolarHBondContact N-O 3.13Å; Y349-F368 HydrophobicContact CD2-CD1 4.17Å; Y349-F368 HydrophobicContact CD2-CD2 4.4Å; Y349-F368 AromaticContact CD2-CE1 3.72Å; Y349-F368 HydrophobicContact CD2-CE1 3.72Å; Y349-F368 AromaticContact CD2-CE2 3.98Å; Y349-F368 HydrophobicContact CD2-CE2 3.98Å; Y349-F368 HydrophobicContact CD2-CG 4.49Å; Y349-F368 AromaticContact CD2-CZ 3.63Å; Y349-F368 HydrophobicContact CD2-CZ 3.63Å; Y349-F368 HydrophobicContact CE2-CE2 4.21Å; Y349-F368 HydrophobicContact CE2-CZ 4.1Å; Y349-F368 HydrophobicContact CG-CE1 4.34Å; Y349-Y373 WeakPolarHBondContact O-CD2 3.34Å
350G94.7Very high95.3Very high0 Ų040.8 Ų40.80%022%0.218CC..  trans-103.2-179.6169.900000112.5G352 D353 T376G350-G352 PolarHBondContact O-N 3.06Å; G350-G352 VanDerWaalsContact O-N 3.14Å; G350-D353 PolarHBondContact N-OD2 2.88Å; G350-D353 WeakPolarHBondContact O-CB 3.35Å; G350-D353 PolarHBondContact O-N 3.15Å; G350-T376 PolarHBondContact O-OG1 3.22Å
351N91Very high95.3Very high37 Ų3743.8 Ų43.820%0.19823%0.233CC..G310 helixtrans-57.5-34.4-175-62.5-8.4000112.3F58 D353 L354 T376F58-N351 PolarHBondContact O-ND2 3.1Å; N351-D353 PolarHBondContact O-N 3.24Å; N351-L354 WeakPolarHBondContact O-CB 3.49Å; N351-L354 PolarHBondContact O-N 2.78Å; N351-T376 PolarHBondContact N-OG1 2.84Å; N351-T376 VanDerWaalsContact N-OG1 3.14Å; N351-T376 PolarHBondContact OD1-N 3.01Å; N351-T376 PolarHBondContact OD1-OG1 2.93Å; N351-T376 VanDerWaalsContact OD1-OG1 3.13Å
352G92Very high95.4Very high45 Ų4541.1 Ų41.146%0.46422%0.222SC..G310 helixtrans-67-16.717800000114.5G350G350-G352 PolarHBondContact O-N 3.06Å; G350-G352 VanDerWaalsContact O-N 3.14Å
353D96Very high95.4Very high0 Ų037.8 Ų37.80%021%0.209CC..G310 helixtrans-86-9.9178.8-62.4-55.9000113K327 H339 Y349 G350 N351 K355 W356 L357K327-D353 IonicContact NZ-OD1 2.92Å; K327-D353 PolarHBondContact NZ-OD1 2.93Å; H339-D353 WeakPolarHBondContact CA-OD2 3.42Å; H339-D353 IonicContact CG-OD1 3.56Å; H339-D353 PolarHBondContact N-OD1 3.32Å; H339-D353 PolarHBondContact N-OD2 3.39Å; H339-D353 IonicContact ND1-OD1 3.79Å; H339-D353 PolarHBondContact ND1-OD1 3.11Å; Y349-D353 HydrophobicContact CD1-CB 3.81Å; Y349-D353 HydrophobicContact CG-CB 4.37Å; G350-D353 PolarHBondContact N-OD2 2.88Å; G350-D353 WeakPolarHBondContact O-CB 3.35Å; G350-D353 PolarHBondContact O-N 3.15Å; N351-D353 PolarHBondContact O-N 3.24Å; D353-K355 VanDerWaalsContact C-N 3.32Å; D353-K355 PolarHBondContact O-N 3.45Å; D353-W356 WeakPolarHBondContact O-CB 3.29Å; D353-W356 PolarHBondContact O-N 2.73Å; D353-L357 HydrophobicContact CB-CD1 4.14Å; D353-L357 WeakPolarHBondContact O-CG 3.43Å; D353-L357 PolarHBondContact O-N 3.17Å
354L94.3Very high95.6Very high1 Ų135.4 Ų35.41%0.00519%0.194CC..Hα-helixtrans-54.7-44.3-175.7-87.6167.2000112.9I52 F53 N351 W356 L357 V358 T376 C379 L380I52-L354 HydrophobicContact CB-CD1 4.38Å; I52-L354 HydrophobicContact CG2-CB 4.4Å; I52-L354 HydrophobicContact CG2-CD1 3.48Å; I52-L354 VanDerWaalsContact CG2-CD1 3.48Å; F53-L354 HydrophobicContact CE1-CB 4.05Å; F53-L354 HydrophobicContact CE1-CD2 4.29Å; F53-L354 HydrophobicContact CZ-CD2 4.37Å; N351-L354 WeakPolarHBondContact O-CB 3.49Å; N351-L354 PolarHBondContact O-N 2.78Å; L354-W356 VanDerWaalsContact C-N 3.32Å; L354-W356 PolarHBondContact O-N 2.92Å; L354-L357 PolarHBondContact O-N 3.49Å; L354-V358 WeakPolarHBondContact O-CG1 3.22Å; L354-V358 WeakPolarHBondContact O-CG2 3.47Å; L354-V358 PolarHBondContact O-N 3.3Å; L354-T376 HydrophobicContact CD2-CG2 4.43Å; L354-T376 WeakPolarHBondContact CD2-O 3.45Å; L354-T376 HydrophobicContact CG-CG2 4.38Å; L354-C379 HydrophobicContact CD1-CB 4Å; L354-C379 HydrophobicContact CD2-CB 4.12Å; L354-L380 HydrophobicContact CD2-CD2 3.96Å; L354-L380 HydrophobicContact CD2-CG 3.69Å
355K93.1Very high96Very high145 Ų14528.7 Ų28.763%0.6316%0.163SC*.Hα-helixtrans-62.8-38.6177.9-174.3174.4-179.2176.40112.1D353 V358 N359D353-K355 VanDerWaalsContact C-N 3.32Å; D353-K355 PolarHBondContact O-N 3.45Å; K355-V358 WeakPolarHBondContact O-CG2 3.29Å; K355-N359 WeakPolarHBondContact O-CB 3.11Å; K355-N359 VanDerWaalsContact O-CG 3.29Å; K355-N359 PolarHBondContact O-N 2.56Å; K355-N359 PolarHBondContact O-ND2 3.11Å
356W95.8Very high96.2Very high75 Ų7527.7 Ų27.728%0.28415%0.153SC..Hα-helixtrans-67.9-42.4176.3-177.193.1000110.9A325 K327 H335 Y349 D353 L354 N359 S360A325-W356 HydrophobicContact CB-CH2 3.74Å; A325-W356 HydrophobicContact CB-CZ3 3.78Å; K327-W356 HydrophobicContact CD-CD2 4.46Å; K327-W356 HydrophobicContact CD-CE3 4.44Å; K327-W356 HydrophobicContact CG-CD2 4.46Å; K327-W356 HydrophobicContact CG-CE3 4.34Å; K327-W356 HydrophobicContact CG-CH2 3.83Å; K327-W356 HydrophobicContact CG-CZ2 3.96Å; K327-W356 HydrophobicContact CG-CZ3 4.04Å; H335-W356 HydrophobicContact CB-CZ2 4.21Å; Y349-W356 HydrophobicContact CE1-CE3 4.27Å; Y349-W356 AromaticContact CE1-CZ3 3.89Å; Y349-W356 HydrophobicContact CE1-CZ3 3.89Å; Y349-W356 AromaticContact CZ-CZ3 3.98Å; Y349-W356 WeakPolarHBondContact OH-CZ3 3.48Å; D353-W356 WeakPolarHBondContact O-CB 3.29Å; D353-W356 PolarHBondContact O-N 2.73Å; L354-W356 VanDerWaalsContact C-N 3.32Å; L354-W356 PolarHBondContact O-N 2.92Å; W356-N359 PolarHBondContact O-N 3.4Å; W356-S360 PolarHBondContact O-N 3.44Å; W356-S360 VanDerWaalsContact O-N 3.16Å
357L97.4Very high96.2Very high0 Ų028.4 Ų28.40%016%0.156CC..Hα-helixtrans-62.4-50179.1-71.9162000112.4L197 Y349 D353 L354 N359 S360 A365 F368 T376 L380L197-L357 WeakPolarHBondContact CD1-O 3.38Å; L197-L357 HydrophobicContact CD2-CB 4.25Å; L197-L357 HydrophobicContact CD2-CD2 4.39Å; Y349-L357 HydrophobicContact CD1-CD1 4.24Å; Y349-L357 HydrophobicContact CD1-CD2 4.21Å; Y349-L357 HydrophobicContact CD1-CG 4.42Å; Y349-L357 HydrophobicContact CD2-CD1 4.19Å; Y349-L357 HydrophobicContact CD2-CD2 3.89Å; Y349-L357 HydrophobicContact CE1-CD2 4.05Å; Y349-L357 HydrophobicContact CE2-CD2 3.72Å; Y349-L357 HydrophobicContact CG-CD1 3.87Å; Y349-L357 HydrophobicContact CG-CD2 4.14Å; Y349-L357 HydrophobicContact CG-CG 4.41Å; D353-L357 HydrophobicContact CB-CD1 4.14Å; D353-L357 WeakPolarHBondContact O-CG 3.43Å; D353-L357 PolarHBondContact O-N 3.17Å; L354-L357 PolarHBondContact O-N 3.49Å; L357-N359 VanDerWaalsContact C-N 3.26Å; L357-N359 PolarHBondContact O-N 3.2Å; L357-S360 VanDerWaalsContact O-CB 3.3Å; L357-S360 WeakPolarHBondContact O-CB 3.29Å; L357-S360 PolarHBondContact O-N 3.4Å; L357-S360 VanDerWaalsContact O-N 3.12Å; L357-A365 HydrophobicContact CD2-CB 3.53Å; L357-F368 HydrophobicContact CD1-CE1 3.93Å; L357-F368 HydrophobicContact CD1-CZ 4.16Å; L357-F368 HydrophobicContact CD2-CZ 4.03Å; L357-T376 HydrophobicContact CD1-CG2 4.09Å; L357-L380 HydrophobicContact CB-CD2 4.21Å; L357-L380 HydrophobicContact CD1-CD1 4.08Å
358V94.6Very high96.2Very high34 Ų3428.5 Ų28.521%0.20616%0.156CC..Hα-helixtrans-68.2-25.8-177.9-62.10000113.6F53 L354 K355 L380F53-V358 HydrophobicContact CD1-CG2 4.46Å; F53-V358 HydrophobicContact CE1-CB 4.45Å; F53-V358 HydrophobicContact CE1-CG1 3.51Å; F53-V358 HydrophobicContact CE1-CG2 4.16Å; F53-V358 HydrophobicContact CZ-CG1 3.91Å; L354-V358 WeakPolarHBondContact O-CG1 3.22Å; L354-V358 WeakPolarHBondContact O-CG2 3.47Å; L354-V358 PolarHBondContact O-N 3.3Å; K355-V358 WeakPolarHBondContact O-CG2 3.29Å; V358-L380 HydrophobicContact CG1-CD2 3.81Å
359N95.3Very high96Very high116 Ų11629.9 Ų29.962%0.6216%0.162SC*.Hα-helixtrans-87.1-7.4176.6-69.5-31.9000112.9K355 W356 L357K355-N359 WeakPolarHBondContact O-CB 3.11Å; K355-N359 VanDerWaalsContact O-CG 3.29Å; K355-N359 PolarHBondContact O-N 2.56Å; K355-N359 PolarHBondContact O-ND2 3.11Å; W356-N359 PolarHBondContact O-N 3.4Å; L357-N359 VanDerWaalsContact C-N 3.26Å; L357-N359 PolarHBondContact O-N 3.2Å
360S96.5Very high95.8Very high11 Ų1130.2 Ų30.28%0.07716%0.164CC..  trans-67.5135.8-178-179.80000111.4K198 A325 W356 L357 S362K198-S360 PolarHBondContact NZ-O 2.82Å; A325-S360 WeakPolarHBondContact CB-OG 3.16Å; W356-S360 PolarHBondContact O-N 3.44Å; W356-S360 VanDerWaalsContact O-N 3.16Å; L357-S360 VanDerWaalsContact O-CB 3.3Å; L357-S360 WeakPolarHBondContact O-CB 3.29Å; L357-S360 PolarHBondContact O-N 3.4Å; L357-S360 VanDerWaalsContact O-N 3.12Å; S360-S362 PolarHBondContact O-N 2.91Å; S360-S362 WeakPolarHBondContact OG-CB 3.38Å; S360-S362 PolarHBondContact OG-N 3.45Å; S360-S362 PolarHBondContact OG-OG 3.29Å
361P96.1Very high95.6Very high83 Ų8336.4 Ų36.454%0.53920%0.197SC..  trans-72.8-6.7173.732.6-36.7000112.3
362S97.9Very high95.6Very high9 Ų937.8 Ų37.86%0.06321%0.207CC..SBendtrans-73155.8-173.4-54.40000113.2K198 N322 A325 S360 F364K198-S362 PolarHBondContact NZ-O 3.37Å; N322-S362 CarbonylContact O-C 3.57Å; N322-S362 WeakPolarHBondContact O-CA 3.37Å; N322-S362 VanDerWaalsContact O-CB 3.24Å; N322-S362 WeakPolarHBondContact O-CB 3.39Å; A325-S362 PolarHBondContact N-OG 3.38Å; S360-S362 PolarHBondContact O-N 2.91Å; S360-S362 WeakPolarHBondContact OG-CB 3.38Å; S360-S362 PolarHBondContact OG-N 3.45Å; S360-S362 PolarHBondContact OG-OG 3.29Å; S362-F364 WeakPolarHBondContact CB-O 3.42Å
363L98.5Very high95.6Very high2 Ų238 Ų381%0.0119%0.194CC..SBendtrans-71.9-42.9176.6-61.2-169.9000111.8L197 K198 I203 Y206 N322 L323L197-L363 PolarHBondContact N-O 3.33Å; K198-L363 HydrophobicContact CB-CD2 4.32Å; K198-L363 HydrophobicContact CG-CD2 3.93Å; K198-L363 PolarHBondContact N-O 3.23Å; I203-L363 HydrophobicContact CG1-CD2 4.33Å; I203-L363 HydrophobicContact CG2-CD1 4.38Å; Y206-L363 HydrophobicContact CD1-CD1 3.78Å; Y206-L363 HydrophobicContact CD1-CD2 3.86Å; Y206-L363 HydrophobicContact CD1-CG 4.13Å; Y206-L363 HydrophobicContact CD2-CD2 4.19Å; Y206-L363 HydrophobicContact CE1-CD1 4.2Å; Y206-L363 HydrophobicContact CE1-CD2 4.41Å; Y206-L363 HydrophobicContact CE1-CG 4.38Å; Y206-L363 HydrophobicContact CG-CD1 4.47Å; Y206-L363 HydrophobicContact CG-CD2 3.74Å; N322-L363 PolarHBondContact O-N 2.89Å; L323-L363 HydrophobicContact CD2-CD1 3.84Å
364F98.8Very high95.4Very high1 Ų139 Ų390%0.00420%0.201CC..EExtended strand (participates in β ladder)trans-131.4171.2-179.6-67-98.2000111.1Y99 I117 I188 T190 F195 P196 I203 L323 R324 A325 S362Y99-F364 AromaticContact CE1-CZ 3.85Å; Y99-F364 HydrophobicContact CE1-CZ 3.85Å; I117-F364 HydrophobicContact CG2-CE1 3.75Å; I117-F364 HydrophobicContact CG2-CZ 4.22Å; I188-F364 HydrophobicContact CD1-CE2 4.46Å; I188-F364 HydrophobicContact CG2-CE2 4.06Å; T190-F364 HydrophobicContact CG2-CD1 4.29Å; T190-F364 HydrophobicContact CG2-CE1 4.04Å; T190-F364 HydrophobicContact CG2-CZ 4.36Å; F195-F364 CarbonylContact O-C 3.59Å; F195-F364 WeakPolarHBondContact O-CA 3.42Å; P196-F364 HydrophobicContact CB-CD1 3.91Å; P196-F364 HydrophobicContact CB-CE1 3.67Å; P196-F364 HydrophobicContact CB-CZ 4.3Å; P196-F364 HydrophobicContact CG-CE1 4.44Å; I203-F364 HydrophobicContact CD1-CE2 3.91Å; I203-F364 HydrophobicContact CD1-CZ 3.87Å; L323-F364 PolarHBondContact O-N 3.06Å; R324-F364 CarbonylContact C-O 3.54Å; R324-F364 WeakPolarHBondContact CA-O 3.29Å; A325-F364 PolarHBondContact N-O 2.86Å; S362-F364 WeakPolarHBondContact CB-O 3.42Å
365A98.6Very high95.2Very high0 Ų039.2 Ų39.20%020%0.202CC..EExtended strand (participates in β ladder)trans-133.1155.817100000112.2D194 F195 L197 A325 Y349 L357 F368D194-A365 WeakPolarHBondContact CA-O 3.26Å; F195-A365 PolarHBondContact N-O 2.83Å; F195-A365 VanDerWaalsContact N-O 3.15Å; F195-A365 PolarHBondContact O-N 2.83Å; L197-A365 HydrophobicContact CD1-CB 3.86Å; L197-A365 HydrophobicContact CD2-CB 4.18Å; L197-A365 HydrophobicContact CG-CB 4.01Å; A325-A365 HydrophobicContact CB-CB 3.97Å; A325-A365 WeakPolarHBondContact O-CA 3.32Å; Y349-A365 HydrophobicContact CE2-CB 3.84Å; L357-A365 HydrophobicContact CD2-CB 3.53Å; A365-F368 HydrophobicContact CB-CE2 3.73Å; A365-F368 HydrophobicContact CB-CZ 3.84Å; A365-F368 WeakPolarHBondContact O-CE2 3.32Å
366N98.2Very high95.2Very high1 Ų132.4 Ų32.41%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-142.2126.8178.5-170.7-106.6000109.9C191 D194 Y266 R324 A325 I326 Y349C191-N366 PolarHBondContact SG-ND2 3.3Å; D194-N366 VanDerWaalsContact OD1-CB 3.26Å; D194-N366 WeakPolarHBondContact OD1-CB 3.19Å; D194-N366 PolarHBondContact OD1-ND2 2.81Å; Y266-N366 PolarHBondContact OH-ND2 3.46Å; Y266-N366 PolarHBondContact OH-OD1 2.95Å; R324-N366 HydrophobicContact CG-CB 3.8Å; A325-N366 PolarHBondContact O-N 3.26Å; I326-N366 HydrophobicContact CG1-CB 4.32Å; Y349-N366 VanDerWaalsContact CE2-O 3.25Å; Y349-N366 WeakPolarHBondContact CE2-O 3.26Å; Y349-N366 PolarHBondContact OH-O 3.39Å; Y349-N366 VanDerWaalsContact OH-O 3.11Å
367K97.3Very high95.2Very high36 Ų3628.9 Ų28.916%0.15716%0.159CC..  cis-123.2155.513.5-63.9175.9-175.1173.40113.7Q193 I346 C347 I348 Y349Q193-K367 HydrophobicContact CB-CB 4.3Å; Q193-K367 CarbonylContact O-C 3.54Å; Q193-K367 WeakPolarHBondContact O-CA 3.47Å; I346-K367 HydrophobicContact CG2-CD 4.15Å; I346-K367 HydrophobicContact CG2-CG 4.15Å; C347-K367 PolarHBondContact O-N 3.16Å; I348-K367 WeakPolarHBondContact CA-O 3.49Å; I348-K367 HydrophobicContact CG1-CB 3.87Å; I348-K367 HydrophobicContact CG1-CD 4.48Å; Y349-K367 WeakPolarHBondContact CD2-O 3.5Å; Y349-K367 PolarHBondContact N-O 3.13Å
368F98Very high95Very high2 Ų229 Ų291%0.00916%0.159CC..  trans-120.1148.6174-62.5-85.7000112.6T109 Q193 F195 Y349 L357 A365 T376 V377 L380T109-F368 HydrophobicContact CG2-CB 4.42Å; Q193-F368 PolarHBondContact NE2-O 3.3Å; Q193-F368 VanDerWaalsContact NE2-O 3.15Å; Q193-F368 WeakPolarHBondContact O-CD2 3.35Å; Q193-F368 PolarHBondContact O-N 3.47Å; F195-F368 HydrophobicContact CB-CD2 3.49Å; F195-F368 VanDerWaalsContact CB-CD2 3.49Å; F195-F368 HydrophobicContact CB-CE2 3.33Å; F195-F368 HydrophobicContact CB-CG 4.2Å; F195-F368 HydrophobicContact CB-CZ 3.92Å; Y349-F368 HydrophobicContact CD2-CD1 4.17Å; Y349-F368 HydrophobicContact CD2-CD2 4.4Å; Y349-F368 AromaticContact CD2-CE1 3.72Å; Y349-F368 HydrophobicContact CD2-CE1 3.72Å; Y349-F368 AromaticContact CD2-CE2 3.98Å; Y349-F368 HydrophobicContact CD2-CE2 3.98Å; Y349-F368 HydrophobicContact CD2-CG 4.49Å; Y349-F368 AromaticContact CD2-CZ 3.63Å; Y349-F368 HydrophobicContact CD2-CZ 3.63Å; Y349-F368 HydrophobicContact CE2-CE2 4.21Å; Y349-F368 HydrophobicContact CE2-CZ 4.1Å; Y349-F368 HydrophobicContact CG-CE1 4.34Å; L357-F368 HydrophobicContact CD1-CE1 3.93Å; L357-F368 HydrophobicContact CD1-CZ 4.16Å; L357-F368 HydrophobicContact CD2-CZ 4.03Å; A365-F368 HydrophobicContact CB-CE2 3.73Å; A365-F368 HydrophobicContact CB-CZ 3.84Å; A365-F368 WeakPolarHBondContact O-CE2 3.32Å; F368-T376 HydrophobicContact CD1-CG2 4.07Å; F368-T376 HydrophobicContact CE1-CG2 3.9Å; F368-V377 HydrophobicContact CB-CG2 3.95Å; F368-V377 HydrophobicContact CD1-CG2 4Å; F368-V377 HydrophobicContact CG-CG2 4.31Å; F368-L380 HydrophobicContact CD1-CD1 4.46Å; F368-L380 HydrophobicContact CE1-CD1 3.39Å; F368-L380 HydrophobicContact CZ-CD1 3.5Å
369E95Very high95Very high30 Ų3027.3 Ų27.314%0.1415%0.15CC..  trans-137.3103.5171-72.8-171.1165.700109.7H341 I348 N371 T372 Y373H341-E369 IonicContact CE1-OE2 3.99Å; H341-E369 PolarHBondContact CE1-OE2 2.94Å; H341-E369 IonicContact NE2-OE2 3.45Å; I348-E369 HydrophobicContact CD1-CG 4.28Å; I348-E369 WeakPolarHBondContact CD1-OE1 3.41Å; I348-E369 HydrophobicContact CG2-CB 3.94Å; I348-E369 HydrophobicContact CG2-CG 3.74Å; E369-N371 VanDerWaalsContact C-N 3.26Å; E369-N371 PolarHBondContact O-N 3.16Å; E369-T372 PolarHBondContact O-N 3.2Å; E369-T372 VanDerWaalsContact O-N 3.17Å; E369-T372 PolarHBondContact OE2-OG1 2.68Å; E369-Y373 PolarHBondContact O-N 2.95Å
370L92.9Very high95Very high6 Ų622.2 Ų22.23%0.03112%0.122CC..THydrogen-bonded Turntrans-60.1-36.8-177.4-177.968000112.4T109 R112 T372 P374 V377T109-L370 WeakPolarHBondContact OG1-CB 3.36Å; T109-L370 PolarHBondContact OG1-N 2.94Å; R112-L370 HydrophobicContact CG-CD2 3.99Å; L370-T372 VanDerWaalsContact C-N 3.32Å; L370-T372 PolarHBondContact O-N 2.63Å; L370-P374 HydrophobicContact CD1-CB 4.47Å; L370-P374 WeakPolarHBondContact O-CA 3.36Å; L370-P374 WeakPolarHBondContact O-CB 3.49Å; L370-P374 WeakPolarHBondContact O-CD 3.33Å; L370-V377 HydrophobicContact CD1-CB 3.86Å; L370-V377 HydrophobicContact CD1-CG1 4.09Å; L370-V377 HydrophobicContact CD1-CG2 4.3Å
371N90.4Very high95Very high131 Ų13121.9 Ų21.970%0.70112%0.119SC*.THydrogen-bonded Turntrans-73.4-24.8-178.7-65-23.9000113E369E369-N371 VanDerWaalsContact C-N 3.26Å; E369-N371 PolarHBondContact O-N 3.16Å
372T91.6Very high95Very high66 Ų6618.9 Ų18.941%0.40510%0.099SC..THydrogen-bonded Turntrans-93.3-44.1-177.5-47.80000111.1E369 L370E369-T372 PolarHBondContact O-N 3.2Å; E369-T372 VanDerWaalsContact O-N 3.17Å; E369-T372 PolarHBondContact OE2-OG1 2.68Å; L370-T372 VanDerWaalsContact C-N 3.32Å; L370-T372 PolarHBondContact O-N 2.63Å
373Y92.3Very high94.9Very high50 Ų5023.2 Ų23.220%0.19611%0.114CC..  trans-133.371.7-178.7-51.8-71.2000110.9G340 H341 I348 Y349 E369 L375 T376G340-Y373 WeakPolarHBondContact CA-OH 3.49Å; G340-Y373 PolarHBondContact O-OH 3.34Å; H341-Y373 AromaticContact ND1-CE2 3.5Å; H341-Y373 AromaticContact ND1-CZ 3.76Å; H341-Y373 PolarHBondContact ND1-OH 3.08Å; H341-Y373 VanDerWaalsContact ND1-OH 3.11Å; I348-Y373 HydrophobicContact CG2-CD2 4.1Å; I348-Y373 HydrophobicContact CG2-CE2 4Å; Y349-Y373 WeakPolarHBondContact O-CD2 3.34Å; E369-Y373 PolarHBondContact O-N 2.95Å; Y373-L375 PolarHBondContact O-N 2.8Å; Y373-T376 WeakPolarHBondContact CB-OG1 3.3Å; Y373-T376 WeakPolarHBondContact O-CB 3.4Å; Y373-T376 PolarHBondContact O-N 2.97Å
374P90.9Very high94.8Very high21 Ų2123.5 Ų23.514%0.13612%0.115CC..Hα-helixtrans-58.7-45.5-173.519.8-31.3000112.5L370 T376 V377 E378L370-P374 HydrophobicContact CD1-CB 4.47Å; L370-P374 WeakPolarHBondContact O-CA 3.36Å; L370-P374 WeakPolarHBondContact O-CB 3.49Å; L370-P374 WeakPolarHBondContact O-CD 3.33Å; P374-T376 VanDerWaalsContact C-N 3.29Å; P374-T376 PolarHBondContact O-N 3.33Å; P374-V377 PolarHBondContact O-N 3.34Å; P374-E378 VanDerWaalsContact O-CG 3.31Å; P374-E378 WeakPolarHBondContact O-CG 3.24Å; P374-E378 PolarHBondContact O-N 3.38Å
375L90.3Very high94.8Very high5 Ų523.9 Ų23.93%0.02612%0.117CC..Hα-helixtrans-60.9-33.1-179.4-72.4177.2000114L45 I52 F58 P60 Y373 V377 C379L45-L375 HydrophobicContact CD1-CD2 4.03Å; I52-L375 HydrophobicContact CD1-CB 4.24Å; I52-L375 HydrophobicContact CD1-CD1 3.69Å; I52-L375 HydrophobicContact CD1-CG 4.45Å; F58-L375 HydrophobicContact CD1-CD1 4.22Å; P60-L375 HydrophobicContact CG-CD1 3.33Å; P60-L375 HydrophobicContact CG-CD2 3.77Å; P60-L375 HydrophobicContact CG-CG 3.66Å; Y373-L375 PolarHBondContact O-N 2.8Å; L375-V377 VanDerWaalsContact C-N 3.26Å; L375-V377 PolarHBondContact O-N 3.32Å; L375-C379 WeakPolarHBondContact O-CB 3.18Å; L375-C379 PolarHBondContact O-N 3.4Å; L375-C379 PolarHBondContact O-SG 2.86Å
376T93.6Very high94.7Very high1 Ų128 Ų281%0.00614%0.136CC..Hα-helixtrans-57.9-44.3174.9-51.70000110.6G350 N351 L354 L357 F368 Y373 P374 L380G350-T376 PolarHBondContact O-OG1 3.22Å; N351-T376 PolarHBondContact N-OG1 2.84Å; N351-T376 VanDerWaalsContact N-OG1 3.14Å; N351-T376 PolarHBondContact OD1-N 3.01Å; N351-T376 PolarHBondContact OD1-OG1 2.93Å; N351-T376 VanDerWaalsContact OD1-OG1 3.13Å; L354-T376 HydrophobicContact CD2-CG2 4.43Å; L354-T376 WeakPolarHBondContact CD2-O 3.45Å; L354-T376 HydrophobicContact CG-CG2 4.38Å; L357-T376 HydrophobicContact CD1-CG2 4.09Å; F368-T376 HydrophobicContact CD1-CG2 4.07Å; F368-T376 HydrophobicContact CE1-CG2 3.9Å; Y373-T376 WeakPolarHBondContact CB-OG1 3.3Å; Y373-T376 WeakPolarHBondContact O-CB 3.4Å; Y373-T376 PolarHBondContact O-N 2.97Å; P374-T376 VanDerWaalsContact C-N 3.29Å; P374-T376 PolarHBondContact O-N 3.33Å; T376-L380 VanDerWaalsContact O-CG 3.31Å; T376-L380 WeakPolarHBondContact O-CG 3.37Å; T376-L380 PolarHBondContact O-N 3.05Å
377V94.9Very high94.7Very high2 Ų230.8 Ų30.81%0.01215%0.146CC..Hα-helixtrans-76.7-46.6-179.8-176.80000110.5R112 F195 F368 L370 P374 L375 C379 L380 E381R112-V377 HydrophobicContact CB-CG1 4.08Å; R112-V377 HydrophobicContact CG-CG1 4.27Å; F195-V377 HydrophobicContact CD2-CG1 4.23Å; F195-V377 HydrophobicContact CE2-CG1 4.14Å; F368-V377 HydrophobicContact CB-CG2 3.95Å; F368-V377 HydrophobicContact CD1-CG2 4Å; F368-V377 HydrophobicContact CG-CG2 4.31Å; L370-V377 HydrophobicContact CD1-CB 3.86Å; L370-V377 HydrophobicContact CD1-CG1 4.09Å; L370-V377 HydrophobicContact CD1-CG2 4.3Å; P374-V377 PolarHBondContact O-N 3.34Å; L375-V377 VanDerWaalsContact C-N 3.26Å; L375-V377 PolarHBondContact O-N 3.32Å; V377-C379 PolarHBondContact O-N 3.02Å; V377-L380 PolarHBondContact O-N 2.82Å; V377-E381 VanDerWaalsContact O-CB 3.31Å; V377-E381 WeakPolarHBondContact O-CB 3.3Å; V377-E381 PolarHBondContact O-N 3.24Å
378E93.3Very high94.7Very high1 Ų129.4 Ų29.41%0.00514%0.141CC..Hα-helixtrans-63.1-41.3-176.3-68.2174.3152.200112.6L45 N63 A64 L65 P374 E381 L382L45-E378 HydrophobicContact CD1-CB 3.83Å; L45-E378 HydrophobicContact CD2-CB 4.15Å; N63-E378 VanDerWaalsContact CA-OE1 3.22Å; N63-E378 WeakPolarHBondContact CA-OE1 3.35Å; N63-E378 PolarHBondContact OD1-OE1 3.11Å; A64-E378 PolarHBondContact N-OE1 3.32Å; L65-E378 HydrophobicContact CD1-CB 4.43Å; L65-E378 HydrophobicContact CD1-CG 4.36Å; L65-E378 PolarHBondContact N-OE1 3.25Å; P374-E378 VanDerWaalsContact O-CG 3.31Å; P374-E378 WeakPolarHBondContact O-CG 3.24Å; P374-E378 PolarHBondContact O-N 3.38Å; E378-E381 PolarHBondContact O-N 2.77Å; E378-L382 WeakPolarHBondContact O-CB 3.41Å; E378-L382 PolarHBondContact O-N 3.12Å
379C94.4Very high94.7Very high0 Ų029.3 Ų29.30%014%0.14CC..Hα-helixtrans-71.2-35.3177.9-65.20000112.9C49 F53 L354 L375 V377 R383C49-C379 WeakPolarHBondContact CA-SG 3.42Å; C49-C379 HydrophobicContact CB-CB 3.72Å; C49-C379 WeakPolarHBondContact CB-SG 3.33Å; C49-C379 WeakPolarHBondContact SG-CA 3.25Å; C49-C379 WeakPolarHBondContact SG-CB 3.44Å; C49-C379 CovalentContact SG-SG 2.04Å; C49-C379 PolarHBondContact SG-SG 3.38Å; F53-C379 HydrophobicContact CE2-CB 4.39Å; F53-C379 HydrophobicContact CZ-CB 4.31Å; L354-C379 HydrophobicContact CD1-CB 4Å; L354-C379 HydrophobicContact CD2-CB 4.12Å; L375-C379 WeakPolarHBondContact O-CB 3.18Å; L375-C379 PolarHBondContact O-N 3.4Å; L375-C379 PolarHBondContact O-SG 2.86Å; V377-C379 PolarHBondContact O-N 3.02Å; C379-R383 VanDerWaalsContact O-CB 3.3Å; C379-R383 WeakPolarHBondContact O-CB 3.41Å; C379-R383 PolarHBondContact O-N 3.48Å
380L96.4Very high94.8Very high9 Ų934.2 Ų34.25%0.04717%0.167CC..Hα-helixtrans-65.5-42.7171.1-77179.8000111.2F195 L197 L354 L357 V358 F368 T376 V377 H384F195-L380 HydrophobicContact CD1-CB 3.97Å; F195-L380 HydrophobicContact CD1-CD1 4.19Å; F195-L380 HydrophobicContact CE1-CB 3.81Å; L197-L380 HydrophobicContact CD2-CD1 4.18Å; L197-L380 HydrophobicContact CD2-CD2 4.09Å; L354-L380 HydrophobicContact CD2-CD2 3.96Å; L354-L380 HydrophobicContact CD2-CG 3.69Å; L357-L380 HydrophobicContact CB-CD2 4.21Å; L357-L380 HydrophobicContact CD1-CD1 4.08Å; V358-L380 HydrophobicContact CG1-CD2 3.81Å; F368-L380 HydrophobicContact CD1-CD1 4.46Å; F368-L380 HydrophobicContact CE1-CD1 3.39Å; F368-L380 HydrophobicContact CZ-CD1 3.5Å; T376-L380 VanDerWaalsContact O-CG 3.31Å; T376-L380 WeakPolarHBondContact O-CG 3.37Å; T376-L380 PolarHBondContact O-N 3.05Å; V377-L380 PolarHBondContact O-N 2.82Å; L380-H384 WeakPolarHBondContact O-CB 3.29Å; L380-H384 PolarHBondContact O-N 3.48Å
381E96.3Very high95.1Very high3 Ų336.2 Ų36.21%0.01418%0.177CC..Hα-helixtrans-66.4-46.5-178.9-171.5178-151.900112.1R112 R115 F195 V377 E378 R383 H384 R385 F402R112-E381 VanDerWaalsContact CD-OE2 3.32Å; R112-E381 WeakPolarHBondContact CD-OE2 3.37Å; R112-E381 IonicContact CZ-OE2 3.9Å; R112-E381 IonicContact NE-OE2 3.71Å; R112-E381 IonicContact NH1-OE2 2.74Å; R112-E381 PolarHBondContact NH1-OE2 3.16Å; R115-E381 IonicContact CZ-OE1 2.91Å; R115-E381 IonicContact CZ-OE2 3.82Å; R115-E381 IonicContact NE-OE1 2.68Å; R115-E381 PolarHBondContact NE-OE1 3.27Å; R115-E381 IonicContact NH2-OE1 3.67Å; R115-E381 PolarHBondContact NH2-OE1 3.3Å; R115-E381 IonicContact NH2-OE2 3.5Å; R115-E381 PolarHBondContact NH2-OE2 3.01Å; F195-E381 HydrophobicContact CE1-CB 4.35Å; F195-E381 HydrophobicContact CE2-CB 4.35Å; F195-E381 HydrophobicContact CZ-CB 3.6Å; F195-E381 HydrophobicContact CZ-CG 3.94Å; V377-E381 VanDerWaalsContact O-CB 3.31Å; V377-E381 WeakPolarHBondContact O-CB 3.3Å; V377-E381 PolarHBondContact O-N 3.24Å; E378-E381 PolarHBondContact O-N 2.77Å; E381-R383 PolarHBondContact O-N 3.23Å; E381-H384 PolarHBondContact O-N 2.9Å; E381-R385 WeakPolarHBondContact O-CB 3.07Å; E381-R385 PolarHBondContact O-N 2.59Å; E381-F402 HydrophobicContact CG-CE2 3.88Å; E381-F402 HydrophobicContact CG-CZ 3.65Å
382L95.3Very high95.4Very high21 Ų2131.2 Ų31.211%0.1115%0.152CC..Hα-helixtrans-55.9-52.4175.1176.861000110.5L45 A46 E378 H384 R385 E386 F402L45-L382 HydrophobicContact CD2-CD2 4.46Å; L45-L382 HydrophobicContact CG-CD2 4.27Å; A46-L382 HydrophobicContact CB-CD2 4.07Å; E378-L382 WeakPolarHBondContact O-CB 3.41Å; E378-L382 PolarHBondContact O-N 3.12Å; L382-H384 VanDerWaalsContact C-N 3.32Å; L382-H384 PolarHBondContact O-N 3.44Å; L382-R385 PolarHBondContact O-N 3.36Å; L382-E386 HydrophobicContact CD1-CG 4.34Å; L382-E386 WeakPolarHBondContact O-CG 3.3Å; L382-E386 PolarHBondContact O-N 3.04Å; L382-F402 HydrophobicContact CD1-CD2 3.92Å
383R95.6Very high95.7Very high99 Ų9933.2 Ų33.237%0.37416%0.157SC..Hα-helixtrans-60.5-40.9177.9177.7174.9178.172.7-0.4112.4C379 E381 R387C379-R383 VanDerWaalsContact O-CB 3.3Å; C379-R383 WeakPolarHBondContact O-CB 3.41Å; C379-R383 PolarHBondContact O-N 3.48Å; E381-R383 PolarHBondContact O-N 3.23Å; R383-R387 WeakPolarHBondContact O-CB 3.46Å; R383-R387 WeakPolarHBondContact O-CD 3.37Å; R383-R387 VanDerWaalsContact O-CG 3.24Å; R383-R387 WeakPolarHBondContact O-CG 3.36Å; R383-R387 PolarHBondContact O-N 3.16Å; R383-R387 VanDerWaalsContact O-N 3.14Å
384H97.7Very high95.9Very high9 Ų933.6 Ų33.64%0.04216%0.164CC..Hα-helixtrans-64.4-44.1178.5179.2-75.6000110.9A116 K198 L380 E381 L382 R387 T388A116-H384 PolarHBondContact O-CE1 3.3Å; K198-H384 PolarHBondContact O-CD2 3.32Å; K198-H384 PolarHBondContact O-NE2 3.27Å; L380-H384 WeakPolarHBondContact O-CB 3.29Å; L380-H384 PolarHBondContact O-N 3.48Å; E381-H384 PolarHBondContact O-N 2.9Å; L382-H384 VanDerWaalsContact C-N 3.32Å; L382-H384 PolarHBondContact O-N 3.44Å; H384-R387 PolarHBondContact O-N 3.31Å; H384-T388 WeakPolarHBondContact O-CB 3Å; H384-T388 PolarHBondContact O-N 2.77Å; H384-T388 PolarHBondContact O-OG1 2.78Å
385R97.4Very high96.1Very high9 Ų936.6 Ų36.63%0.03419%0.191CC..Hα-helixtrans-62.9-50.2177.5179.355.961.382-4.3112H82 E381 L382 R387 T388 L389 W400 F402H82-R385 PolarHBondContact O-NH1 2.84Å; H82-R385 PolarHBondContact O-NH2 3.24Å; E381-R385 WeakPolarHBondContact O-CB 3.07Å; E381-R385 PolarHBondContact O-N 2.59Å; L382-R385 PolarHBondContact O-N 3.36Å; R385-R387 VanDerWaalsContact C-N 3.31Å; R385-R387 PolarHBondContact O-N 3.45Å; R385-T388 WeakPolarHBondContact O-CB 3.34Å; R385-T388 PolarHBondContact O-N 2.75Å; R385-T388 VanDerWaalsContact O-N 3.11Å; R385-L389 HydrophobicContact CG-CD1 4.15Å; R385-L389 HydrophobicContact CG-CG 4.44Å; R385-L389 WeakPolarHBondContact O-CG 3.48Å; R385-L389 PolarHBondContact O-N 2.98Å; R385-W400 WeakPolarHBondContact CD-O 3.31Å; R385-W400 PolarHBondContact NH1-O 3.1Å; R385-F402 HydrophobicContact CB-CD2 4.07Å; R385-F402 HydrophobicContact CB-CE2 3.44Å; R385-F402 VanDerWaalsContact CB-CE2 3.44Å; R385-F402 HydrophobicContact CB-CZ 4.11Å; R385-F402 HydrophobicContact CG-CD2 4.08Å; R385-F402 HydrophobicContact CG-CE2 3.76Å; R385-F402 HydrophobicContact CG-CZ 4.24Å
386E96.4Very high96.4Very high87 Ų8739 Ų3941%0.40720%0.203SC..Hα-helixtrans-56.8-45.5178-72.4174.1167.100111.6L382 T388 L389 N390L382-E386 HydrophobicContact CD1-CG 4.34Å; L382-E386 WeakPolarHBondContact O-CG 3.3Å; L382-E386 PolarHBondContact O-N 3.04Å; E386-T388 VanDerWaalsContact C-N 3.34Å; E386-T388 PolarHBondContact O-N 3.04Å; E386-L389 PolarHBondContact O-N 3.11Å; E386-N390 VanDerWaalsContact O-CB 3.27Å; E386-N390 WeakPolarHBondContact O-CB 3.48Å; E386-N390 PolarHBondContact O-N 2.78Å; E386-N390 PolarHBondContact O-ND2 2.84Å
387R97.8Very high96.4Very high59 Ų5942.7 Ų42.722%0.22322%0.22CC..Hα-helixtrans-63.3-40176.5-72.1170.367-153.82.5112.1L197 T199 E202 R383 H384 R385 Q391L197-R387 PolarHBondContact O-NH1 3.06Å; L197-R387 VanDerWaalsContact O-NH1 3.1Å; T199-R387 HydrophobicContact CG2-CB 3.73Å; E202-R387 IonicContact OE1-CZ 3.79Å; E202-R387 IonicContact OE1-NE 3.87Å; E202-R387 IonicContact OE1-NH2 3.87Å; E202-R387 PolarHBondContact OE1-NH2 2.84Å; E202-R387 IonicContact OE2-CZ 2.85Å; E202-R387 IonicContact OE2-NH1 3.12Å; E202-R387 IonicContact OE2-NH2 3.51Å; E202-R387 PolarHBondContact OE2-NH2 3.43Å; R383-R387 WeakPolarHBondContact O-CB 3.46Å; R383-R387 WeakPolarHBondContact O-CD 3.37Å; R383-R387 VanDerWaalsContact O-CG 3.24Å; R383-R387 WeakPolarHBondContact O-CG 3.36Å; R383-R387 PolarHBondContact O-N 3.16Å; R383-R387 VanDerWaalsContact O-N 3.14Å; H384-R387 PolarHBondContact O-N 3.31Å; R385-R387 VanDerWaalsContact C-N 3.31Å; R385-R387 PolarHBondContact O-N 3.45Å; R387-Q391 WeakPolarHBondContact O-CG 3.28Å; R387-Q391 PolarHBondContact O-N 3.29Å
388T98.4Very high96.4Very high6 Ų647.7 Ų47.74%0.03725%0.253CS..Hα-helixtrans-62.2-48.7177.9-63.50000110.9L88 M119 T199 H384 R385 E386 Q391L88-T388 HydrophobicContact CD1-CG2 3.47Å; L88-T388 VanDerWaalsContact CD1-CG2 3.47Å; M119-T388 HydrophobicContact CE-CG2 3.64Å; T199-T388 WeakPolarHBondContact CG2-OG1 3.47Å; H384-T388 WeakPolarHBondContact O-CB 3Å; H384-T388 PolarHBondContact O-N 2.77Å; H384-T388 PolarHBondContact O-OG1 2.78Å; R385-T388 WeakPolarHBondContact O-CB 3.34Å; R385-T388 PolarHBondContact O-N 2.75Å; R385-T388 VanDerWaalsContact O-N 3.11Å; E386-T388 VanDerWaalsContact C-N 3.34Å; E386-T388 PolarHBondContact O-N 3.04Å; T388-Q391 PolarHBondContact O-N 2.81Å
389L98.1Very high96.4Very high1 Ų149.4 Ų49.41%0.00527%0.265CS..Hα-helixtrans-69.9-37.2-179.6-62.6-177.1000112.5V84 R385 E386 Q391 S392 I396 W400 Y401V84-L389 HydrophobicContact CG2-CD2 4.46Å; R385-L389 HydrophobicContact CG-CD1 4.15Å; R385-L389 HydrophobicContact CG-CG 4.44Å; R385-L389 WeakPolarHBondContact O-CG 3.48Å; R385-L389 PolarHBondContact O-N 2.98Å; E386-L389 PolarHBondContact O-N 3.11Å; L389-Q391 PolarHBondContact O-N 2.63Å; L389-S392 WeakPolarHBondContact O-CB 3.43Å; L389-S392 PolarHBondContact O-N 2.81Å; L389-I396 HydrophobicContact CB-CD1 4.2Å; L389-I396 HydrophobicContact CD1-CG2 4.24Å; L389-I396 HydrophobicContact CD2-CG2 4.08Å; L389-I396 WeakPolarHBondContact O-CD1 3.2Å; L389-W400 HydrophobicContact CD1-CB 4.28Å; L389-W400 HydrophobicContact CD2-CB 4Å; L389-W400 HydrophobicContact CD2-CE3 3.96Å; L389-Y401 HydrophobicContact CB-CE1 4.42Å; L389-Y401 HydrophobicContact CD1-CD1 3.53Å; L389-Y401 HydrophobicContact CD1-CD2 4.28Å; L389-Y401 HydrophobicContact CD1-CE1 3.47Å; L389-Y401 VanDerWaalsContact CD1-CE1 3.47Å; L389-Y401 HydrophobicContact CD1-CE2 4.24Å; L389-Y401 HydrophobicContact CD1-CG 3.95Å
390N97.8Very high96.4Very high132 Ų13249.4 Ų49.471%0.70627%0.265SS*.Hα-helixtrans-65.1-18175.2-73.1-16.6000113.6E386E386-N390 VanDerWaalsContact O-CB 3.27Å; E386-N390 WeakPolarHBondContact O-CB 3.48Å; E386-N390 PolarHBondContact O-N 2.78Å; E386-N390 PolarHBondContact O-ND2 2.84Å
391Q97.4Very high96.1Very high48 Ų4854.2 Ų54.222%0.22428%0.283CS..THydrogen-bonded Turntrans-93.90.6176.2-71.6170.1-1.900113T199 R201 E202 R387 T388 L389T199-Q391 PolarHBondContact OG1-OE1 3.04Å; R201-Q391 PolarHBondContact NH1-O 3.39Å; E202-Q391 PolarHBondContact OE1-NE2 3.36Å; E202-Q391 VanDerWaalsContact OE1-NE2 3.08Å; R387-Q391 WeakPolarHBondContact O-CG 3.28Å; R387-Q391 PolarHBondContact O-N 3.29Å; T388-Q391 PolarHBondContact O-N 2.81Å; L389-Q391 PolarHBondContact O-N 2.63Å
392S97.5Very high95.7Very high26 Ų2655.7 Ų55.718%0.18229%0.29CS..  trans-67.3132.7-178.9-1700000111.7L389 T394L389-S392 WeakPolarHBondContact O-CB 3.43Å; L389-S392 PolarHBondContact O-N 2.81Å; S392-T394 PolarHBondContact OG-N 3.33Å; S392-T394 PolarHBondContact OG-O 3.4Å; S392-T394 PolarHBondContact OG-OG1 3.25Å
393E97.8Very high95.7Very high109 Ų10957.5 Ų57.551%0.50930%0.299SS..SBendtrans-99.6-6.2170.1-63.6173.1-179.600111.3L88 S89 R201L88-E393 PolarHBondContact O-N 3.32Å; S89-E393 VanDerWaalsContact CB-OE2 3.25Å; S89-E393 WeakPolarHBondContact CB-OE2 3.43Å; R201-E393 IonicContact CZ-OE1 2.78Å; R201-E393 IonicContact NH1-OE1 3.92Å; R201-E393 PolarHBondContact NH1-OE1 2.68Å; R201-E393 IonicContact NH2-OE1 3.28Å; R201-E393 PolarHBondContact NH2-OE1 3.24Å
394T95.6Very high95.7Very high58 Ų5855.3 Ų55.336%0.35630%0.295SS..SBendtrans-108.5165.5174.962.80000111.6T87 L88 S392 I396T87-T394 WeakPolarHBondContact O-CG2 3.37Å; T87-T394 PolarHBondContact O-OG1 2.86Å; L88-T394 PolarHBondContact O-N 3.18Å; S392-T394 PolarHBondContact OG-N 3.33Å; S392-T394 PolarHBondContact OG-O 3.4Å; S392-T394 PolarHBondContact OG-OG1 3.25Å; T394-I396 PolarHBondContact O-N 2.85Å
395A96.1Very high95.6Very high83 Ų8357.8 Ų57.869%0.68631%0.309SS*.PPolyproline II helixtrans-63.2127.1177.900000110.7
396I96.5Very high95.5Very high56 Ų5660.7 Ų60.729%0.28733%0.325SS..PPolyproline II helixtrans-82126.1-178-60.5164.1000109.5L389 T394 W400 Y401L389-I396 HydrophobicContact CB-CD1 4.2Å; L389-I396 HydrophobicContact CD1-CG2 4.24Å; L389-I396 HydrophobicContact CD2-CG2 4.08Å; L389-I396 WeakPolarHBondContact O-CD1 3.2Å; T394-I396 PolarHBondContact O-N 2.85Å; I396-W400 HydrophobicContact CG2-CE3 4.03Å; I396-Y401 HydrophobicContact CB-CE2 4.46Å; I396-Y401 HydrophobicContact CG2-CD2 4.21Å; I396-Y401 HydrophobicContact CG2-CE2 3.41Å; I396-Y401 VanDerWaalsContact CG2-CE2 3.41Å
397Q94.8Very high95.4Very high79 Ų7959.1 Ų59.137%0.36932%0.32SS..PPolyproline II helixtrans-75.8136.2173.6-59.7-70.3-2.300110.3E86 S399 W400E86-Q397 PolarHBondContact OE1-NE2 2.74Å; Q397-S399 PolarHBondContact O-N 2.91Å; Q397-S399 VanDerWaalsContact O-N 3.12Å; Q397-W400 HydrophobicContact CB-CD2 3.77Å; Q397-W400 HydrophobicContact CB-CE3 4.28Å; Q397-W400 HydrophobicContact CB-CG 4.08Å; Q397-W400 HydrophobicContact CB-CH2 4.36Å; Q397-W400 HydrophobicContact CB-CZ2 3.93Å; Q397-W400 HydrophobicContact CG-CD2 4.19Å; Q397-W400 HydrophobicContact CG-CH2 3.76Å; Q397-W400 HydrophobicContact CG-CZ2 3.38Å; Q397-W400 HydrophobicContact CG-CZ3 4.35Å; Q397-W400 WeakPolarHBondContact O-CB 3.3Å; Q397-W400 PolarHBondContact O-N 2.85Å
398P93.4Very high95.3Very high107 Ų10759.1 Ų59.170%0.69533%0.326SS*.G310 helixtrans-55.1-32.9178.5-28.135.3000114W400 Y401P398-W400 PolarHBondContact O-N 2.93Å; P398-Y401 PolarHBondContact O-N 3.36Å
399S93.1Very high95.1Very high37 Ų3762.9 Ų62.926%0.25935%0.347SS..G310 helixtrans-66.7-15.1178.954.70000114.1H82 Q397H82-S399 VanDerWaalsContact CA-O 3.31Å; H82-S399 WeakPolarHBondContact CA-O 3.38Å; H82-S399 WeakPolarHBondContact CB-O 3.49Å; H82-S399 PolarHBondContact ND1-O 2.94Å; Q397-S399 PolarHBondContact O-N 2.91Å; Q397-S399 VanDerWaalsContact O-N 3.12Å
400W95.1Very high94.8Very high0 Ų067.6 Ų67.60%037%0.373CS..G310 helixtrans-82.4-14.1178.3-57.1-17.6000113.1Y83 V84 T85 E86 L88 R385 L389 I396 Q397 P398Y83-W400 PolarHBondContact O-NE1 3.13Å; V84-W400 HydrophobicContact CG1-CD2 4.39Å; V84-W400 HydrophobicContact CG1-CE3 4.42Å; V84-W400 HydrophobicContact CG2-CB 4.43Å; V84-W400 HydrophobicContact CG2-CD2 4.47Å; V84-W400 HydrophobicContact CG2-CG 4.32Å; T85-W400 PolarHBondContact OG1-NE1 2.83Å; E86-W400 HydrophobicContact CB-CH2 3.72Å; E86-W400 HydrophobicContact CB-CZ2 3.81Å; E86-W400 HydrophobicContact CG-CH2 4.18Å; E86-W400 HydrophobicContact CG-CZ2 3.93Å; L88-W400 HydrophobicContact CD2-CE3 4.11Å; L88-W400 HydrophobicContact CD2-CH2 4.14Å; L88-W400 HydrophobicContact CD2-CZ3 3.51Å; R385-W400 WeakPolarHBondContact CD-O 3.31Å; R385-W400 PolarHBondContact NH1-O 3.1Å; L389-W400 HydrophobicContact CD1-CB 4.28Å; L389-W400 HydrophobicContact CD2-CB 4Å; L389-W400 HydrophobicContact CD2-CE3 3.96Å; I396-W400 HydrophobicContact CG2-CE3 4.03Å; Q397-W400 HydrophobicContact CB-CD2 3.77Å; Q397-W400 HydrophobicContact CB-CE3 4.28Å; Q397-W400 HydrophobicContact CB-CG 4.08Å; Q397-W400 HydrophobicContact CB-CH2 4.36Å; Q397-W400 HydrophobicContact CB-CZ2 3.93Å; Q397-W400 HydrophobicContact CG-CD2 4.19Å; Q397-W400 HydrophobicContact CG-CH2 3.76Å; Q397-W400 HydrophobicContact CG-CZ2 3.38Å; Q397-W400 HydrophobicContact CG-CZ3 4.35Å; Q397-W400 WeakPolarHBondContact O-CB 3.3Å; Q397-W400 PolarHBondContact O-N 2.85Å; P398-W400 PolarHBondContact O-N 2.93Å
401Y91.1Very high94.6Very high110 Ų11062.3 Ų62.343%0.43135%0.346SS..  trans-79.5149169.1-67.7-79.7000110.6H82 L389 I396 P398H82-Y401 PolarHBondContact CE1-O 3.04Å; H82-Y401 PolarHBondContact ND1-O 2.88Å; L389-Y401 HydrophobicContact CB-CE1 4.42Å; L389-Y401 HydrophobicContact CD1-CD1 3.53Å; L389-Y401 HydrophobicContact CD1-CD2 4.28Å; L389-Y401 HydrophobicContact CD1-CE1 3.47Å; L389-Y401 VanDerWaalsContact CD1-CE1 3.47Å; L389-Y401 HydrophobicContact CD1-CE2 4.24Å; L389-Y401 HydrophobicContact CD1-CG 3.95Å; I396-Y401 HydrophobicContact CB-CE2 4.46Å; I396-Y401 HydrophobicContact CG2-CD2 4.21Å; I396-Y401 HydrophobicContact CG2-CE2 3.41Å; I396-Y401 VanDerWaalsContact CG2-CE2 3.41Å; P398-Y401 PolarHBondContact O-N 3.36Å
402F86.8Confident94.3Very high34 Ų3463.5 Ų63.515%0.14936%0.357CS..  trans-76.20172.5-67.8-50.6000112.8L65 H82 E381 L382 R385L65-F402 HydrophobicContact CD1-CD2 4.48Å; L65-F402 HydrophobicContact CD1-CG 4.47Å; L65-F402 HydrophobicContact CD2-CB 3.94Å; L65-F402 HydrophobicContact CD2-CD1 3.94Å; L65-F402 HydrophobicContact CD2-CG 3.96Å; H82-F402 HydrophobicContact CB-CD1 4.07Å; H82-F402 HydrophobicContact CB-CE1 4.05Å; H82-F402 AromaticContact CD2-CD1 3.69Å; H82-F402 AromaticContact CG-CD1 3.93Å; E381-F402 HydrophobicContact CG-CE2 3.88Å; E381-F402 HydrophobicContact CG-CZ 3.65Å; L382-F402 HydrophobicContact CD1-CD2 3.92Å; R385-F402 HydrophobicContact CB-CD2 4.07Å; R385-F402 HydrophobicContact CB-CE2 3.44Å; R385-F402 VanDerWaalsContact CB-CE2 3.44Å; R385-F402 HydrophobicContact CB-CZ 4.11Å; R385-F402 HydrophobicContact CG-CD2 4.08Å; R385-F402 HydrophobicContact CG-CE2 3.76Å; R385-F402 HydrophobicContact CG-CZ 4.24Å

Retrieved 402 of 402 residues in 272.5 ms (Link to these results)

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