A0A087YLJ1_POEFO Loading...

Lipase maturation factor

Involved in the maturation of specific proteins in the endoplasmic reticulum.

AlphaFold DB , UniProt , Accession A0A087YLJ1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 731 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M56.5Low83.6Confident91 Ų9147.8 Ų47.845%0.44824%0.239SC..  0147.60-111.6164.9-10000108.1R164 R243 E370M1-R164 VanDerWaalsContact SD-CZ 3.52Å; M1-R164 PolarHBondContact SD-NH1 2.88Å; M1-R164 PolarHBondContact SD-NH2 3.28Å; M1-R243 VanDerWaalsContact CG-NH1 3.27Å; M1-E370 WeakPolarHBondContact CE-OE1 3.31Å
2G63Low84.6Confident30 Ų3044.3 Ų44.331%0.30922%0.221SC..  trans-67176170.100000111.2
3E79.1Confident85.4Confident131 Ų13146.7 Ų46.761%0.61223%0.226SC*.  trans-59.9151.1172.6-60.7-175.6163.300111.1D280E3-D280 VanDerWaalsContact C-OD2 3.29Å; E3-D280 HydrophobicContact CB-CB 4.12Å; E3-D280 WeakPolarHBondContact CB-OD2 2.98Å; E3-D280 WeakPolarHBondContact O-CB 3.47Å; E3-D280 PolarHBondContact O-N 2.98Å
4I85.2Confident86.3Confident17 Ų1745.1 Ų45.19%0.08722%0.221CC..  trans-127.919.2-171.259.4161000113R8 D156 P157 F160 D280I4-R8 VanDerWaalsContact O-CB 3.22Å; I4-R8 WeakPolarHBondContact O-CB 3.07Å; I4-R8 PolarHBondContact O-N 3.11Å; I4-R8 VanDerWaalsContact O-N 3.12Å; I4-D156 HydrophobicContact CD1-CB 4.45Å; I4-P157 HydrophobicContact CD1-CB 4.42Å; I4-P157 HydrophobicContact CD1-CG 4.38Å; I4-F160 HydrophobicContact CB-CD1 4.26Å; I4-F160 HydrophobicContact CB-CE1 4.46Å; I4-F160 HydrophobicContact CD1-CB 3.67Å; I4-F160 HydrophobicContact CD1-CD1 3.71Å; I4-F160 HydrophobicContact CD1-CG 3.99Å; I4-F160 HydrophobicContact CG2-CD1 4.46Å; I4-D280 VanDerWaalsContact C-OD1 3.27Å; I4-D280 WeakPolarHBondContact CA-OD1 3.43Å; I4-D280 PolarHBondContact N-OD2 2.85Å
5I85.2Confident87Confident31 Ų3142.1 Ų42.116%0.15921%0.207CC..Hα-helixtrans-65.9-46.1-173.6-59.1161.3000110.2R9 V152 D280I5-R9 WeakPolarHBondContact O-CG 3.39Å; I5-R9 PolarHBondContact O-N 3.03Å; I5-R9 VanDerWaalsContact O-N 3.08Å; I5-V152 HydrophobicContact CD1-CB 4.43Å; I5-V152 HydrophobicContact CD1-CG1 4.09Å; I5-V152 HydrophobicContact CD1-CG2 3.42Å; I5-V152 VanDerWaalsContact CD1-CG2 3.42Å; I5-V152 HydrophobicContact CG1-CG1 4.12Å; I5-V152 HydrophobicContact CG1-CG2 3.95Å; I5-D280 WeakPolarHBondContact CB-OD2 3.21Å; I5-D280 PolarHBondContact N-OD1 3.23Å; I5-D280 PolarHBondContact N-OD2 2.9Å
6L87.5Confident87.7Confident49 Ų4939.4 Ų39.426%0.25719%0.194SC..Hα-helixtrans-72.3-48.5-177.2-60.5172.1000112.4R8 R9 L10 D280 V283 N284L6-R8 VanDerWaalsContact C-N 3.25Å; L6-R8 PolarHBondContact O-N 3.21Å; L6-R9 PolarHBondContact O-N 2.96Å; L6-L10 WeakPolarHBondContact O-CB 3.26Å; L6-L10 PolarHBondContact O-N 2.93Å; L6-D280 WeakPolarHBondContact CB-OD1 3.34Å; L6-D280 HydrophobicContact CD1-CB 4.33Å; L6-D280 PolarHBondContact N-OD1 3.46Å; L6-V283 HydrophobicContact CB-CB 3.98Å; L6-V283 HydrophobicContact CB-CG1 3.82Å; L6-V283 HydrophobicContact CB-CG2 4.34Å; L6-V283 HydrophobicContact CD1-CB 4.16Å; L6-V283 HydrophobicContact CD1-CG1 4.15Å; L6-N284 WeakPolarHBondContact CD1-OD1 3.18Å
7P91.5Very high88.2Confident0 Ų038.5 Ų38.50%019%0.189CC..Hα-helixtrans-54.5-40.4172.1-2632.9000113L10 F11 F160 L278 D280 V283P7-L10 PolarHBondContact O-N 2.68Å; P7-F11 VanDerWaalsContact O-CB 3.25Å; P7-F11 WeakPolarHBondContact O-CB 3.41Å; P7-F11 PolarHBondContact O-N 3.41Å; P7-F160 HydrophobicContact CB-CE1 4.06Å; P7-F160 HydrophobicContact CB-CZ 4.09Å; P7-L278 HydrophobicContact CB-CB 4.27Å; P7-L278 HydrophobicContact CG-CB 3.97Å; P7-D280 WeakPolarHBondContact CD-OD1 2.94Å; P7-V283 HydrophobicContact CG-CG2 3.78Å
8R91.6Very high88.8Confident17 Ų1736.6 Ų36.66%0.06418%0.18CC..Hα-helixtrans-64.1-47177-179.6-174.561.6170.4-17.9112I4 L6 L10 F11 L12 V140 D156 F160I4-R8 VanDerWaalsContact O-CB 3.22Å; I4-R8 WeakPolarHBondContact O-CB 3.07Å; I4-R8 PolarHBondContact O-N 3.11Å; I4-R8 VanDerWaalsContact O-N 3.12Å; L6-R8 VanDerWaalsContact C-N 3.25Å; L6-R8 PolarHBondContact O-N 3.21Å; R8-L10 VanDerWaalsContact C-N 3.3Å; R8-L10 PolarHBondContact O-N 3.43Å; R8-F11 WeakPolarHBondContact O-CB 3.46Å; R8-F11 PolarHBondContact O-N 2.63Å; R8-L12 HydrophobicContact CG-CD1 4.36Å; R8-L12 WeakPolarHBondContact O-CG 3.45Å; R8-L12 PolarHBondContact O-N 2.82Å; R8-V140 HydrophobicContact CG-CG1 3.66Å; R8-D156 IonicContact CZ-OD1 2.56Å; R8-D156 IonicContact CZ-OD2 2.66Å; R8-D156 IonicContact NH1-OD1 3.28Å; R8-D156 PolarHBondContact NH1-OD1 2.83Å; R8-D156 IonicContact NH1-OD2 3.75Å; R8-D156 PolarHBondContact NH1-OD2 3.04Å; R8-D156 IonicContact NH2-OD2 2.65Å; R8-D156 PolarHBondContact NH2-OD2 2.9Å; R8-F160 HydrophobicContact CB-CE2 4.45Å
9R90.8Very high89.2Confident103 Ų10334.7 Ų34.739%0.38917%0.171SC..Hα-helixtrans-61.1-41.8177.7-74.1-177.4-173.1-163.811.5111.5I5 L6 W13 E96I5-R9 WeakPolarHBondContact O-CG 3.39Å; I5-R9 PolarHBondContact O-N 3.03Å; I5-R9 VanDerWaalsContact O-N 3.08Å; L6-R9 PolarHBondContact O-N 2.96Å; R9-W13 WeakPolarHBondContact O-CB 3.32Å; R9-W13 PolarHBondContact O-N 2.67Å; R9-E96 WeakPolarHBondContact CD-OE1 3.3Å; R9-E96 IonicContact CZ-OE1 3.06Å; R9-E96 IonicContact NE-OE1 2.71Å; R9-E96 IonicContact NH1-OE1 3.79Å; R9-E96 PolarHBondContact NH1-OE1 2.78Å
10L93.1Very high89.7Confident57 Ų5733.1 Ų33.130%0.29816%0.163SC..Hα-helixtrans-64.3-42.9175.8-174.363.8000111.4L6 P7 R8 W13 C14 L275L6-L10 WeakPolarHBondContact O-CB 3.26Å; L6-L10 PolarHBondContact O-N 2.93Å; P7-L10 PolarHBondContact O-N 2.68Å; R8-L10 VanDerWaalsContact C-N 3.3Å; R8-L10 PolarHBondContact O-N 3.43Å; L10-W13 HydrophobicContact CD1-CE3 3.99Å; L10-W13 HydrophobicContact CD1-CZ3 4.42Å; L10-W13 PolarHBondContact O-N 2.91Å; L10-C14 WeakPolarHBondContact O-CB 3.49Å; L10-C14 PolarHBondContact O-N 3.33Å; L10-C14 PolarHBondContact O-SG 3.3Å; L10-L275 HydrophobicContact CB-CD1 4.22Å; L10-L275 HydrophobicContact CD2-CD1 3.95Å; L10-L275 HydrophobicContact CD2-CD2 3.8Å; L10-L275 HydrophobicContact CG-CD1 3.76Å
11F96Very high90Very high0 Ų031.7 Ų31.70%016%0.156CC..Hα-helixtrans-56.8-51.2175.4170.1-96000112P7 R8 W13 C14 M15 T133 C137 V140 F160 I163 T272 L273 L275P7-F11 VanDerWaalsContact O-CB 3.25Å; P7-F11 WeakPolarHBondContact O-CB 3.41Å; P7-F11 PolarHBondContact O-N 3.41Å; R8-F11 WeakPolarHBondContact O-CB 3.46Å; R8-F11 PolarHBondContact O-N 2.63Å; F11-W13 VanDerWaalsContact C-N 3.33Å; F11-W13 PolarHBondContact O-N 2.7Å; F11-C14 PolarHBondContact O-N 2.85Å; F11-M15 HydrophobicContact CD2-CG 4.44Å; F11-M15 HydrophobicContact CE1-CG 4.12Å; F11-M15 HydrophobicContact CE2-CG 4Å; F11-M15 HydrophobicContact CE2-SD 4.47Å; F11-M15 HydrophobicContact CZ-CG 3.81Å; F11-M15 HydrophobicContact CZ-SD 4.46Å; F11-M15 WeakPolarHBondContact O-CB 3.33Å; F11-M15 WeakPolarHBondContact O-CG 3.44Å; F11-M15 PolarHBondContact O-N 2.98Å; F11-T133 HydrophobicContact CE2-CG2 4.21Å; F11-T133 HydrophobicContact CZ-CG2 3.89Å; F11-C137 VanDerWaalsContact CE1-SG 3.59Å; F11-V140 HydrophobicContact CD1-CG1 4.15Å; F11-V140 HydrophobicContact CE1-CG1 4.27Å; F11-F160 HydrophobicContact CB-CE2 4.04Å; F11-F160 HydrophobicContact CB-CZ 4.42Å; F11-F160 HydrophobicContact CD1-CE2 4.25Å; F11-F160 HydrophobicContact CG-CE2 4.02Å; F11-I163 HydrophobicContact CD2-CG2 4.35Å; F11-I163 HydrophobicContact CE1-CD1 4.05Å; F11-I163 HydrophobicContact CE1-CG1 4.31Å; F11-I163 HydrophobicContact CE2-CD1 4.26Å; F11-I163 HydrophobicContact CE2-CG1 4.44Å; F11-I163 HydrophobicContact CE2-CG2 3.79Å; F11-I163 HydrophobicContact CZ-CD1 3.56Å; F11-I163 HydrophobicContact CZ-CG1 4.02Å; F11-I163 HydrophobicContact CZ-CG2 4.18Å; F11-T272 HydrophobicContact CD2-CG2 3.5Å; F11-T272 WeakPolarHBondContact CD2-O 3.33Å; F11-T272 HydrophobicContact CE2-CG2 3.8Å; F11-T272 HydrophobicContact CG-CG2 4.36Å; F11-L273 HydrophobicContact CE2-CD2 4.32Å; F11-L275 HydrophobicContact CB-CD1 4.24Å
12L95.7Very high92Very high5 Ų527.3 Ų27.33%0.02614%0.135CC..Hα-helixtrans-63.2-39.4178.8-64.8173.2000111.7R8 M15 A16 F104 C137 V140 A141R8-L12 HydrophobicContact CG-CD1 4.36Å; R8-L12 WeakPolarHBondContact O-CG 3.45Å; R8-L12 PolarHBondContact O-N 2.82Å; L12-M15 PolarHBondContact O-N 3.05Å; L12-A16 PolarHBondContact O-N 3.44Å; L12-F104 HydrophobicContact CB-CE2 4.1Å; L12-F104 HydrophobicContact CB-CZ 4.03Å; L12-F104 HydrophobicContact CD2-CD2 4.26Å; L12-F104 HydrophobicContact CD2-CE2 3.72Å; L12-F104 HydrophobicContact CD2-CZ 4.02Å; L12-F104 HydrophobicContact CG-CE2 4.36Å; L12-F104 WeakPolarHBondContact O-CZ 3.44Å; L12-C137 HydrophobicContact CD2-CB 4.3Å; L12-V140 HydrophobicContact CD2-CG1 4.19Å; L12-A141 HydrophobicContact CD1-CB 4.09Å; L12-A141 HydrophobicContact CD2-CB 4.02Å
13W95.5Very high93.6Very high76 Ų7625.9 Ų25.929%0.28812%0.12SC..Hα-helixtrans-63.1-47.1175.5178.873.4000112.5R9 L10 F11 M15 A16 L17 S93R9-W13 WeakPolarHBondContact O-CB 3.32Å; R9-W13 PolarHBondContact O-N 2.67Å; L10-W13 HydrophobicContact CD1-CE3 3.99Å; L10-W13 HydrophobicContact CD1-CZ3 4.42Å; L10-W13 PolarHBondContact O-N 2.91Å; F11-W13 VanDerWaalsContact C-N 3.33Å; F11-W13 PolarHBondContact O-N 2.7Å; W13-M15 VanDerWaalsContact C-N 3.31Å; W13-M15 PolarHBondContact O-N 3.23Å; W13-A16 WeakPolarHBondContact O-CB 3.32Å; W13-A16 PolarHBondContact O-N 2.9Å; W13-L17 HydrophobicContact CD2-CD1 4.13Å; W13-L17 HydrophobicContact CE3-CD1 4.09Å; W13-L17 HydrophobicContact CH2-CD1 3.51Å; W13-L17 HydrophobicContact CZ2-CD1 3.53Å; W13-L17 HydrophobicContact CZ2-CG 4.47Å; W13-L17 HydrophobicContact CZ3-CD1 3.79Å; W13-L17 PolarHBondContact O-N 2.93Å; W13-L17 VanDerWaalsContact O-N 3.14Å; W13-S93 VanDerWaalsContact CD1-O 3.25Å; W13-S93 PolarHBondContact NE1-O 3.15Å
14C97Very high94.5Very high24 Ų2420.1 Ų20.116%0.1629%0.094CC..Hα-helixtrans-60.6-40.9175.5-70.10000111.7L10 F11 A16 L17 I18 T272L10-C14 WeakPolarHBondContact O-CB 3.49Å; L10-C14 PolarHBondContact O-N 3.33Å; L10-C14 PolarHBondContact O-SG 3.3Å; F11-C14 PolarHBondContact O-N 2.85Å; C14-A16 PolarHBondContact O-N 3.36Å; C14-L17 PolarHBondContact O-N 2.92Å; C14-I18 WeakPolarHBondContact O-CG1 3.47Å; C14-I18 PolarHBondContact O-N 2.65Å; C14-T272 HydrophobicContact CB-CG2 3.57Å; C14-T272 WeakPolarHBondContact CB-OG1 3.29Å
15M97.8Very high95Very high0 Ų019.3 Ų19.30%09%0.089CC..Hα-helixtrans-63.8-39.3176.5-75.4-60-57.500112.7F11 L12 W13 I18 Y19 F104 L130 T133 L269 T272F11-M15 HydrophobicContact CD2-CG 4.44Å; F11-M15 HydrophobicContact CE1-CG 4.12Å; F11-M15 HydrophobicContact CE2-CG 4Å; F11-M15 HydrophobicContact CE2-SD 4.47Å; F11-M15 HydrophobicContact CZ-CG 3.81Å; F11-M15 HydrophobicContact CZ-SD 4.46Å; F11-M15 WeakPolarHBondContact O-CB 3.33Å; F11-M15 WeakPolarHBondContact O-CG 3.44Å; F11-M15 PolarHBondContact O-N 2.98Å; L12-M15 PolarHBondContact O-N 3.05Å; W13-M15 VanDerWaalsContact C-N 3.31Å; W13-M15 PolarHBondContact O-N 3.23Å; M15-I18 PolarHBondContact O-N 3.11Å; M15-I18 HydrophobicContact SD-CD1 4.36Å; M15-Y19 HydrophobicContact CE-CE2 4.17Å; M15-Y19 WeakPolarHBondContact O-CD2 3.36Å; M15-Y19 PolarHBondContact O-N 2.86Å; M15-F104 HydrophobicContact CB-CE1 4.03Å; M15-L130 HydrophobicContact CE-CD1 4.06Å; M15-T133 HydrophobicContact CE-CG2 3.59Å; M15-T133 HydrophobicContact SD-CG2 3.55Å; M15-T133 VanDerWaalsContact SD-CG2 3.55Å; M15-L269 HydrophobicContact CE-CD2 3.97Å; M15-L269 HydrophobicContact SD-CD2 3.69Å; M15-T272 HydrophobicContact CG-CG2 3.87Å; M15-T272 HydrophobicContact SD-CG2 3.99Å
16A97.4Very high95.6Very high0 Ų017.8 Ų17.80%08%0.082CC..Hα-helixtrans-60.1-45.2173.600000111.4L12 W13 C14 I18 Y19 M20 S89 A92L12-A16 PolarHBondContact O-N 3.44Å; W13-A16 WeakPolarHBondContact O-CB 3.32Å; W13-A16 PolarHBondContact O-N 2.9Å; C14-A16 PolarHBondContact O-N 3.36Å; A16-I18 PolarHBondContact O-N 3.23Å; A16-Y19 PolarHBondContact O-N 3.33Å; A16-M20 PolarHBondContact O-N 2.9Å; A16-S89 WeakPolarHBondContact O-CB 3.43Å; A16-A92 HydrophobicContact CB-CB 3.97Å
17L96.9Very high96Very high23 Ų2316 Ų1612%0.127%0.071CC..Hα-helixtrans-62.4-41.1175.6-68.6177.2000112.8W13 C14 M20 V21 L637W13-L17 HydrophobicContact CD2-CD1 4.13Å; W13-L17 HydrophobicContact CE3-CD1 4.09Å; W13-L17 HydrophobicContact CH2-CD1 3.51Å; W13-L17 HydrophobicContact CZ2-CD1 3.53Å; W13-L17 HydrophobicContact CZ2-CG 4.47Å; W13-L17 HydrophobicContact CZ3-CD1 3.79Å; W13-L17 PolarHBondContact O-N 2.93Å; W13-L17 VanDerWaalsContact O-N 3.14Å; C14-L17 PolarHBondContact O-N 2.92Å; L17-M20 HydrophobicContact CD2-CE 4.2Å; L17-M20 WeakPolarHBondContact O-CB 3.4Å; L17-M20 PolarHBondContact O-N 2.89Å; L17-V21 WeakPolarHBondContact O-CG2 3.28Å; L17-V21 PolarHBondContact O-N 3.07Å; L17-L637 HydrophobicContact CD2-CD2 4.06Å
18I97.8Very high96.1Very high5 Ų517.5 Ų17.53%0.0268%0.081CC..Hα-helixtrans-64.8-41.5178.6-70.1166.6000111.1C14 M15 A16 M20 V21 A22 L130 F265 L268 L269 T272C14-I18 WeakPolarHBondContact O-CG1 3.47Å; C14-I18 PolarHBondContact O-N 2.65Å; M15-I18 PolarHBondContact O-N 3.11Å; M15-I18 HydrophobicContact SD-CD1 4.36Å; A16-I18 PolarHBondContact O-N 3.23Å; I18-M20 VanDerWaalsContact C-N 3.33Å; I18-M20 PolarHBondContact O-N 2.92Å; I18-V21 WeakPolarHBondContact O-CB 3.32Å; I18-V21 PolarHBondContact O-N 3.28Å; I18-A22 WeakPolarHBondContact O-CB 3.38Å; I18-A22 PolarHBondContact O-N 2.64Å; I18-L130 HydrophobicContact CG2-CD1 3.92Å; I18-F265 HydrophobicContact CG2-CB 4.2Å; I18-F265 HydrophobicContact CG2-CD2 4.06Å; I18-F265 HydrophobicContact CG2-CG 4.34Å; I18-L268 HydrophobicContact CD1-CB 4.13Å; I18-L268 HydrophobicContact CG1-CB 4.24Å; I18-L269 HydrophobicContact CD1-CD2 3.89Å; I18-L269 HydrophobicContact CD1-CG 4.09Å; I18-L269 HydrophobicContact CG2-CD2 3.8Å; I18-L269 HydrophobicContact CG2-CG 3.92Å; I18-T272 WeakPolarHBondContact CD1-OG1 3.46Å
19Y98.1Very high96.3Very high0 Ų017.3 Ų17.30%08%0.081CC..Hα-helixtrans-60.3-43.9173.6-91.4-64.9000111.9M15 A16 V21 A22 F23 F104 L107 W108 Y111 L130 G134M15-Y19 HydrophobicContact CE-CE2 4.17Å; M15-Y19 WeakPolarHBondContact O-CD2 3.36Å; M15-Y19 PolarHBondContact O-N 2.86Å; A16-Y19 PolarHBondContact O-N 3.33Å; Y19-V21 VanDerWaalsContact C-N 3.34Å; Y19-V21 PolarHBondContact O-N 3.41Å; Y19-A22 PolarHBondContact O-N 3.13Å; Y19-F23 HydrophobicContact CD1-CD2 4.31Å; Y19-F23 AromaticContact CD1-CE2 3.72Å; Y19-F23 HydrophobicContact CD1-CE2 3.72Å; Y19-F23 HydrophobicContact CD1-CZ 4.49Å; Y19-F23 HydrophobicContact CE1-CE2 4.44Å; Y19-F23 HydrophobicContact CG-CE2 4.45Å; Y19-F23 WeakPolarHBondContact O-CD2 3.32Å; Y19-F23 PolarHBondContact O-N 3.37Å; Y19-F104 HydrophobicContact CE2-CD1 4.29Å; Y19-L107 HydrophobicContact CD1-CB 4.26Å; Y19-L107 HydrophobicContact CD2-CB 4.26Å; Y19-L107 HydrophobicContact CD2-CD1 4.06Å; Y19-L107 HydrophobicContact CE1-CB 4.21Å; Y19-L107 HydrophobicContact CE2-CB 4.19Å; Y19-L107 HydrophobicContact CG-CB 4.27Å; Y19-L107 HydrophobicContact CG-CD1 4.28Å; Y19-W108 WeakPolarHBondContact OH-CA 3.43Å; Y19-Y111 HydrophobicContact CE1-CG 4.47Å; Y19-L130 HydrophobicContact CD1-CD1 4.16Å; Y19-L130 HydrophobicContact CD1-CD2 4.32Å; Y19-L130 HydrophobicContact CD1-CG 4.44Å; Y19-L130 HydrophobicContact CD2-CD1 4.49Å; Y19-L130 HydrophobicContact CE1-CD1 3.98Å; Y19-L130 HydrophobicContact CE1-CD2 4.3Å; Y19-L130 HydrophobicContact CE1-CG 4.05Å; Y19-L130 HydrophobicContact CE2-CD1 4.34Å; Y19-L130 HydrophobicContact CG-CD1 4.43Å; Y19-G134 WeakPolarHBondContact OH-CA 3.49Å
20M97.4Very high96.6Very high3 Ų312.4 Ų12.42%0.0156%0.062CC..Hα-helixtrans-57.3-49.1176-177-168.367.900110.9A16 L17 I18 A22 F23 V24 S89 L90 L636 L637A16-M20 PolarHBondContact O-N 2.9Å; L17-M20 HydrophobicContact CD2-CE 4.2Å; L17-M20 WeakPolarHBondContact O-CB 3.4Å; L17-M20 PolarHBondContact O-N 2.89Å; I18-M20 VanDerWaalsContact C-N 3.33Å; I18-M20 PolarHBondContact O-N 2.92Å; M20-A22 PolarHBondContact O-N 3.18Å; M20-F23 PolarHBondContact O-N 3.12Å; M20-V24 HydrophobicContact CG-CG2 4.39Å; M20-V24 WeakPolarHBondContact O-CB 3.16Å; M20-V24 WeakPolarHBondContact O-CG2 3.36Å; M20-V24 PolarHBondContact O-N 2.89Å; M20-S89 WeakPolarHBondContact CA-OG 3.29Å; M20-S89 WeakPolarHBondContact CB-OG 3.3Å; M20-S89 PolarHBondContact N-OG 3.09Å; M20-L90 HydrophobicContact SD-CB 4.14Å; M20-L90 HydrophobicContact SD-CD1 3.73Å; M20-L90 HydrophobicContact SD-CG 4.46Å; M20-L636 HydrophobicContact CE-CB 4.08Å; M20-L636 HydrophobicContact SD-CB 4.12Å; M20-L637 HydrophobicContact CE-CD2 3.59Å; M20-L637 HydrophobicContact CE-CG 4.05Å
21V97.6Very high96.6Very high3 Ų310.4 Ų10.42%0.0185%0.052CC..Hα-helixtrans-56.3-48.7175.4169.10000111.2L17 I18 Y19 S25 F265 P490 I633 L637L17-V21 WeakPolarHBondContact O-CG2 3.28Å; L17-V21 PolarHBondContact O-N 3.07Å; I18-V21 WeakPolarHBondContact O-CB 3.32Å; I18-V21 PolarHBondContact O-N 3.28Å; Y19-V21 VanDerWaalsContact C-N 3.34Å; Y19-V21 PolarHBondContact O-N 3.41Å; V21-S25 WeakPolarHBondContact O-CB 3.47Å; V21-S25 PolarHBondContact O-N 3Å; V21-F265 HydrophobicContact CG1-CB 4.25Å; V21-F265 HydrophobicContact CG1-CD1 4.38Å; V21-P490 HydrophobicContact CB-CG 4.44Å; V21-P490 HydrophobicContact CG1-CB 3.78Å; V21-P490 HydrophobicContact CG1-CG 3.65Å; V21-P490 WeakPolarHBondContact CG1-O 3.33Å; V21-P490 HydrophobicContact CG2-CG 3.86Å; V21-I633 HydrophobicContact CB-CG2 4.4Å; V21-I633 HydrophobicContact CG1-CD1 4.4Å; V21-I633 HydrophobicContact CG1-CG2 4.27Å; V21-I633 HydrophobicContact CG2-CG2 3.77Å; V21-L637 HydrophobicContact CG2-CD1 4.41Å; V21-L637 HydrophobicContact CG2-CD2 4.46Å
22A97.3Very high96.6Very high0 Ų010.4 Ų10.40%05%0.053CC..Hα-helixtrans-64.6-44.3-176.200000112.2I18 Y19 M20 L26 Y111 L130 F265I18-A22 WeakPolarHBondContact O-CB 3.38Å; I18-A22 PolarHBondContact O-N 2.64Å; Y19-A22 PolarHBondContact O-N 3.13Å; M20-A22 PolarHBondContact O-N 3.18Å; A22-L26 WeakPolarHBondContact O-CB 3.15Å; A22-L26 PolarHBondContact O-N 3.11Å; A22-Y111 HydrophobicContact CB-CE2 3.92Å; A22-L130 HydrophobicContact CB-CD2 3.54Å; A22-F265 HydrophobicContact CB-CD1 4.18Å; A22-F265 HydrophobicContact CB-CE1 3.8Å; A22-F265 HydrophobicContact CB-CZ 4.01Å
23F97.9Very high96.6Very high0 Ų010.2 Ų10.20%05%0.052CC..Hα-helixtrans-67.5-45.6177.8-79.5-62000112.3Y19 M20 L26 Y27 C82 G85 A86 L107 L110 Y111Y19-F23 HydrophobicContact CD1-CD2 4.31Å; Y19-F23 AromaticContact CD1-CE2 3.72Å; Y19-F23 HydrophobicContact CD1-CE2 3.72Å; Y19-F23 HydrophobicContact CD1-CZ 4.49Å; Y19-F23 HydrophobicContact CE1-CE2 4.44Å; Y19-F23 HydrophobicContact CG-CE2 4.45Å; Y19-F23 WeakPolarHBondContact O-CD2 3.32Å; Y19-F23 PolarHBondContact O-N 3.37Å; M20-F23 PolarHBondContact O-N 3.12Å; F23-L26 PolarHBondContact O-N 2.86Å; F23-Y27 VanDerWaalsContact O-CB 3.25Å; F23-Y27 WeakPolarHBondContact O-CB 3.39Å; F23-Y27 PolarHBondContact O-N 2.83Å; F23-C82 HydrophobicContact CD1-CB 4.3Å; F23-G85 VanDerWaalsContact CD2-C 3.5Å; F23-A86 HydrophobicContact CB-CB 4.11Å; F23-L107 HydrophobicContact CE2-CD2 3.91Å; F23-L110 HydrophobicContact CE1-CB 4.12Å; F23-L110 HydrophobicContact CZ-CB 3.78Å; F23-Y111 HydrophobicContact CD1-CD2 4.34Å; F23-Y111 AromaticContact CE1-CD2 3.9Å; F23-Y111 HydrophobicContact CE1-CD2 3.9Å; F23-Y111 HydrophobicContact CZ-CD2 4Å; F23-Y111 HydrophobicContact CZ-CG 4.44Å
24V97.1Very high96.5Very high9 Ų96.7 Ų6.76%0.0554%0.039CC..Hα-helixtrans-65.7-43178.9174.90000110.8M20 L26 Y27 V28 A86 L632 I633 L636M20-V24 HydrophobicContact CG-CG2 4.39Å; M20-V24 WeakPolarHBondContact O-CB 3.16Å; M20-V24 WeakPolarHBondContact O-CG2 3.36Å; M20-V24 PolarHBondContact O-N 2.89Å; V24-L26 VanDerWaalsContact C-N 3.29Å; V24-L26 PolarHBondContact O-N 3.11Å; V24-Y27 PolarHBondContact O-N 3.1Å; V24-V28 PolarHBondContact O-N 3.48Å; V24-A86 HydrophobicContact CG2-CB 3.87Å; V24-L632 HydrophobicContact CG1-CD2 3.57Å; V24-L632 HydrophobicContact CG1-CG 3.94Å; V24-I633 HydrophobicContact CB-CG1 4.14Å; V24-I633 HydrophobicContact CG1-CG1 3.73Å; V24-L636 HydrophobicContact CG1-CD1 4.24Å; V24-L636 HydrophobicContact CG2-CD1 3.77Å
25S96.2Very high96.3Very high0 Ų05.6 Ų5.60%03%0.031CC..Hα-helixtrans-58.6-41.2175.5-177.30000112V21 Q29 H491 Q492V21-S25 WeakPolarHBondContact O-CB 3.47Å; V21-S25 PolarHBondContact O-N 3Å; S25-Q29 PolarHBondContact O-NE2 2.93Å; S25-H491 PolarHBondContact OG-CE1 3.42Å; S25-H491 PolarHBondContact OG-ND1 3.26Å; S25-Q492 PolarHBondContact OG-N 2.91Å
26L96.5Very high95.8Very high0 Ų07.1 Ų7.10%04%0.04CC..Hα-helixtrans-72-45.8177.1-17860.1000111.3A22 F23 V24 V28 Q29 I30 Y34 M114 L122A22-L26 WeakPolarHBondContact O-CB 3.15Å; A22-L26 PolarHBondContact O-N 3.11Å; F23-L26 PolarHBondContact O-N 2.86Å; V24-L26 VanDerWaalsContact C-N 3.29Å; V24-L26 PolarHBondContact O-N 3.11Å; L26-V28 VanDerWaalsContact C-N 3.32Å; L26-V28 PolarHBondContact O-N 3.17Å; L26-Q29 PolarHBondContact O-N 3.06Å; L26-I30 HydrophobicContact CG-CG1 4.37Å; L26-I30 WeakPolarHBondContact O-CG1 3.46Å; L26-I30 PolarHBondContact O-N 2.83Å; L26-I30 VanDerWaalsContact O-N 3.16Å; L26-Y34 HydrophobicContact CD1-CE2 3.99Å; L26-M114 HydrophobicContact CD2-CB 4.02Å; L26-M114 HydrophobicContact CD2-CE 3.64Å; L26-M114 HydrophobicContact CD2-CG 4.24Å; L26-M114 HydrophobicContact CG-CE 4.2Å; L26-L122 HydrophobicContact CD1-CD1 3.98Å; L26-L122 HydrophobicContact CD1-CD2 4.41Å; L26-L122 HydrophobicContact CD1-CG 4.27Å; L26-L122 HydrophobicContact CD2-CD1 4Å; L26-L122 HydrophobicContact CD2-CD2 4.31Å
27Y96.6Very high95.4Very high10 Ų109.9 Ų9.94%0.0395%0.054CC..Hα-helixtrans-50.8-47.5-177.3173.6-104.5000112.6F23 V24 Q29 I30 E79 C82 L83 R621F23-Y27 VanDerWaalsContact O-CB 3.25Å; F23-Y27 WeakPolarHBondContact O-CB 3.39Å; F23-Y27 PolarHBondContact O-N 2.83Å; V24-Y27 PolarHBondContact O-N 3.1Å; Y27-Q29 PolarHBondContact O-N 2.8Å; Y27-I30 PolarHBondContact O-N 2.86Å; Y27-E79 HydrophobicContact CD2-CB 4.37Å; Y27-E79 HydrophobicContact CD2-CG 4.46Å; Y27-E79 HydrophobicContact CE2-CB 3.96Å; Y27-E79 HydrophobicContact CE2-CG 4.14Å; Y27-C82 HydrophobicContact CD2-CB 4.18Å; Y27-L83 HydrophobicContact CD1-CD2 4.47Å; Y27-L83 HydrophobicContact CD2-CD2 4.07Å; Y27-L83 HydrophobicContact CD2-CG 3.97Å; Y27-L83 HydrophobicContact CE1-CD2 4.14Å; Y27-L83 HydrophobicContact CE2-CD1 3.84Å; Y27-L83 HydrophobicContact CE2-CD2 3.7Å; Y27-L83 HydrophobicContact CE2-CG 3.56Å; Y27-L83 HydrophobicContact CG-CD2 4.44Å; Y27-R621 VanDerWaalsContact CE2-NH2 3.34Å; Y27-R621 VanDerWaalsContact CZ-CZ 3.47Å; Y27-R621 VanDerWaalsContact O-CZ 3.3Å; Y27-R621 PolarHBondContact O-NH1 3.49Å; Y27-R621 PolarHBondContact O-NH2 2.72Å; Y27-R621 VanDerWaalsContact OH-CA 3.24Å; Y27-R621 WeakPolarHBondContact OH-CA 3.49Å; Y27-R621 PolarHBondContact OH-N 3.4Å
28V94.8Very high95.2Very high33 Ų338.8 Ų8.820%0.25%0.048CC..Hα-helixtrans-62.5-31-179.1179.50000112.1V24 L26 A629 L632V24-V28 PolarHBondContact O-N 3.48Å; L26-V28 VanDerWaalsContact C-N 3.32Å; L26-V28 PolarHBondContact O-N 3.17Å; V28-A629 HydrophobicContact CB-CB 3.92Å; V28-A629 HydrophobicContact CG1-CB 3.98Å; V28-A629 HydrophobicContact CG2-CB 4Å; V28-L632 HydrophobicContact CG2-CD2 4.05Å
29Q95.4Very high95Very high12 Ų128.5 Ų8.56%0.0565%0.047CC..Hα-helixtrans-92.3-11.8-175.3-64.1174.685.600114.3S25 L26 Y27 G32 L33 H491 Q492 L530S25-Q29 PolarHBondContact O-NE2 2.93Å; L26-Q29 PolarHBondContact O-N 3.06Å; Y27-Q29 PolarHBondContact O-N 2.8Å; Q29-G32 PolarHBondContact O-N 2.97Å; Q29-L33 HydrophobicContact CB-CD1 3.63Å; Q29-L33 HydrophobicContact CB-CG 4.14Å; Q29-L33 WeakPolarHBondContact O-CB 3.39Å; Q29-L33 WeakPolarHBondContact O-CG 3.3Å; Q29-L33 PolarHBondContact O-N 3.09Å; Q29-H491 PolarHBondContact NE2-CE1 3.33Å; Q29-Q492 PolarHBondContact NE2-O 3.45Å; Q29-L530 HydrophobicContact CB-CD2 3.93Å; Q29-L530 HydrophobicContact CG-CD2 4.09Å
30I95.8Very high94.8Very high0 Ų09 Ų90%05%0.05CC..Hα-helixtrans-53.4-48.9-176.6-72.7167.3000113.4L26 Y27 G32 L33 Y34 G35 Q75 M78 E79 C82 M114L26-I30 HydrophobicContact CG-CG1 4.37Å; L26-I30 WeakPolarHBondContact O-CG1 3.46Å; L26-I30 PolarHBondContact O-N 2.83Å; L26-I30 VanDerWaalsContact O-N 3.16Å; Y27-I30 PolarHBondContact O-N 2.86Å; I30-G32 PolarHBondContact O-N 3.47Å; I30-L33 PolarHBondContact O-N 3.45Å; I30-Y34 HydrophobicContact CG1-CD2 4.43Å; I30-Y34 CarbonylContact O-C 3.32Å; I30-Y34 WeakPolarHBondContact O-CA 3.22Å; I30-Y34 PolarHBondContact O-N 3.08Å; I30-G35 PolarHBondContact O-N 3.29Å; I30-Q75 HydrophobicContact CG2-CG 4.3Å; I30-M78 HydrophobicContact CD1-CB 4.21Å; I30-M78 HydrophobicContact CG2-CB 4.25Å; I30-E79 HydrophobicContact CD1-CG 4.39Å; I30-E79 HydrophobicContact CG2-CG 4.05Å; I30-C82 HydrophobicContact CD1-CB 4.26Å; I30-M114 HydrophobicContact CD1-CE 3.84Å; I30-M114 HydrophobicContact CG1-CE 4.26Å
31P94.5Very high94.5Very high15 Ų159 Ų910%0.0975%0.049CC..Hα-helixtrans-58.8-45.6-174.6-26.136000112.7G35 E526P31-G35 VanDerWaalsContact O-CA 3.3Å; P31-G35 WeakPolarHBondContact O-CA 3.42Å; P31-G35 PolarHBondContact O-N 2.98Å; P31-E526 HydrophobicContact CB-CB 4.08Å; P31-E526 HydrophobicContact CB-CG 3.93Å
32G94.5Very high94.2Very high1 Ų18.8 Ų8.81%0.015%0.049CC..Hα-helixtrans-78.2-32-179.400000113.9Q29 I30 G38 L39 E526Q29-G32 PolarHBondContact O-N 2.97Å; I30-G32 PolarHBondContact O-N 3.47Å; G32-G38 CarbonylContact O-C 3.55Å; G32-G38 WeakPolarHBondContact O-CA 3.43Å; G32-L39 PolarHBondContact O-N 2.88Å; G32-E526 WeakPolarHBondContact CA-O 3.44Å
33L95.9Very high93.7Very high0 Ų011 Ų110%06%0.057CC..Hα-helixtrans-82.6-50.4-178.6-67.1178.7000111.8Q29 I30 L39 L40 F121 R494 L530Q29-L33 HydrophobicContact CB-CD1 3.63Å; Q29-L33 HydrophobicContact CB-CG 4.14Å; Q29-L33 WeakPolarHBondContact O-CB 3.39Å; Q29-L33 WeakPolarHBondContact O-CG 3.3Å; Q29-L33 PolarHBondContact O-N 3.09Å; I30-L33 PolarHBondContact O-N 3.45Å; L33-L39 HydrophobicContact CD2-CD1 4.13Å; L33-L39 PolarHBondContact O-N 3.11Å; L33-L40 CarbonylContact O-C 3.59Å; L33-L40 PolarHBondContact O-N 2.78Å; L33-F121 HydrophobicContact CD1-CB 4.31Å; L33-F121 HydrophobicContact CD1-CG 4.38Å; L33-F121 HydrophobicContact CD2-CD1 3.83Å; L33-F121 HydrophobicContact CD2-CD2 3.98Å; L33-F121 HydrophobicContact CD2-CE1 3.82Å; L33-F121 HydrophobicContact CD2-CE2 3.95Å; L33-F121 HydrophobicContact CD2-CG 3.93Å; L33-F121 HydrophobicContact CD2-CZ 3.88Å; L33-R494 HydrophobicContact CD1-CB 3.95Å; L33-L530 HydrophobicContact CD2-CD1 3.71Å; L33-L530 HydrophobicContact CG-CD1 4.01Å; L33-L530 HydrophobicContact CG-CD2 4.25Å
34Y94.8Very high93.1Very high3 Ų312.4 Ų12.41%0.0126%0.062CC..Hα-helixtrans-123.1-7-165.1-53.8-62.2000114.4L26 I30 P41 A42 M78 G118 F121 L122L26-Y34 HydrophobicContact CD1-CE2 3.99Å; I30-Y34 HydrophobicContact CG1-CD2 4.43Å; I30-Y34 CarbonylContact O-C 3.32Å; I30-Y34 WeakPolarHBondContact O-CA 3.22Å; I30-Y34 PolarHBondContact O-N 3.08Å; Y34-P41 WeakPolarHBondContact O-CA 3.39Å; Y34-A42 PolarHBondContact O-N 2.97Å; Y34-M78 HydrophobicContact CD2-CE 3.83Å; Y34-M78 HydrophobicContact CE2-CE 4.46Å; Y34-M78 HydrophobicContact CG-CE 3.91Å; Y34-G118 WeakPolarHBondContact CE1-O 3.23Å; Y34-G118 WeakPolarHBondContact OH-CA 3.35Å; Y34-G118 PolarHBondContact OH-O 3.45Å; Y34-F121 HydrophobicContact CE1-CB 4.25Å; Y34-F121 HydrophobicContact CE1-CD2 4.38Å; Y34-F121 WeakPolarHBondContact OH-CB 3.45Å; Y34-L122 HydrophobicContact CE2-CD1 4.23Å; Y34-L122 WeakPolarHBondContact OH-CD1 3.47Å; Y34-L122 WeakPolarHBondContact OH-CG 3.44Å
35G91.6Very high92.5Very high1 Ų116.9 Ų16.91%0.018%0.083CC..SBendtrans-63.1172177.300000112.6I30 P31 D37 G38I30-G35 PolarHBondContact O-N 3.29Å; P31-G35 VanDerWaalsContact O-CA 3.3Å; P31-G35 WeakPolarHBondContact O-CA 3.42Å; P31-G35 PolarHBondContact O-N 2.98Å; G35-D37 PolarHBondContact O-N 3.32Å; G35-G38 PolarHBondContact O-N 3.43Å
36N88.5Confident91.8Very high32 Ų3218 Ų1817%0.1719%0.089CC..THydrogen-bonded Turntrans-59.8-35.5-178.2-72.1-48.4000113.2R43 D73 R519N36-R43 PolarHBondContact OD1-NH1 3.43Å; N36-D73 PolarHBondContact ND2-OD2 3.45Å; N36-R519 PolarHBondContact O-NH2 3.04Å
37D89.1Confident90.7Very high57 Ų5726.4 Ų26.431%0.30512%0.12SC..THydrogen-bonded Turntrans-100.17.6176.3-75.1-58.6000113.2G35 R519 K524G35-D37 PolarHBondContact O-N 3.32Å; D37-R519 PolarHBondContact O-NE 3.14Å; D37-R519 IonicContact OD1-NH1 3.78Å; D37-K524 HydrophobicContact CB-CD 4.08Å; D37-K524 WeakPolarHBondContact OD1-CE 3.34Å; D37-K524 IonicContact OD1-NZ 2.8Å; D37-K524 PolarHBondContact OD1-NZ 2.83Å; D37-K524 IonicContact OD2-NZ 3.46Å
38G92.4Very high89.3Confident0 Ų034.7 Ų34.70%015%0.153CC..SBendtrans-73.8-178.4179.700000114.4G32 G35 R519G32-G38 CarbonylContact O-C 3.55Å; G32-G38 WeakPolarHBondContact O-CA 3.43Å; G35-G38 PolarHBondContact O-N 3.43Å; G38-R519 PolarHBondContact O-NE 2.75Å; G38-R519 VanDerWaalsContact O-NE 3.12Å; G38-R519 PolarHBondContact O-NH2 3.16Å
39L94.1Very high87.9Confident0 Ų037.4 Ų37.40%017%0.169CC..SBendtrans-63.9-50.5179.9-63.5-175.2000112.2G32 L33 F121 L495 S515 L516 V527 L530G32-L39 PolarHBondContact O-N 2.88Å; L33-L39 HydrophobicContact CD2-CD1 4.13Å; L33-L39 PolarHBondContact O-N 3.11Å; L39-F121 HydrophobicContact CB-CE2 4.28Å; L39-F121 HydrophobicContact CD1-CE2 4.25Å; L39-F121 HydrophobicContact CD1-CZ 3.75Å; L39-L495 HydrophobicContact CD1-CD1 3.72Å; L39-S515 VanDerWaalsContact O-CB 3.28Å; L39-S515 WeakPolarHBondContact O-CB 3.4Å; L39-S515 PolarHBondContact O-OG 3.25Å; L39-L516 HydrophobicContact CD1-CD1 4.37Å; L39-L516 VanDerWaalsContact CD2-CA 3.46Å; L39-L516 HydrophobicContact CD2-CB 3.81Å; L39-L516 HydrophobicContact CD2-CD1 3.71Å; L39-L516 HydrophobicContact CD2-CG 4.4Å; L39-V527 HydrophobicContact CD2-CG1 3.64Å; L39-V527 HydrophobicContact CD2-CG2 4.03Å; L39-V527 HydrophobicContact CG-CG1 4.42Å; L39-V527 HydrophobicContact CG-CG2 4.4Å; L39-L530 HydrophobicContact CD1-CD1 4.24Å; L39-L530 HydrophobicContact CG-CD1 4.49Å
40L92.9Very high86.6Confident11 Ų1139.3 Ų39.36%0.05819%0.192CC..SBendtrans-134.981.6-178.4-69.6178.1000109.3L33 A42 W44 V120 F121 W512 L599L33-L40 CarbonylContact O-C 3.59Å; L33-L40 PolarHBondContact O-N 2.78Å; L40-A42 PolarHBondContact O-N 2.99Å; L40-W44 HydrophobicContact CD2-CZ3 3.97Å; L40-V120 HydrophobicContact CD1-CG2 3.82Å; L40-F121 HydrophobicContact CD1-CD2 4.11Å; L40-F121 HydrophobicContact CD1-CE2 3.76Å; L40-F121 HydrophobicContact CG-CE2 4.2Å; L40-W512 HydrophobicContact CD1-CB 3.73Å; L40-W512 HydrophobicContact CD2-CB 4.42Å; L40-W512 HydrophobicContact CG-CB 4.1Å; L40-L599 HydrophobicContact CD2-CD2 3.77Å
41P91.4Very high85.9Confident1 Ų143.2 Ų43.21%0.00621%0.209CC..  trans-48.8125.1-179.9-29.134.9000112.9Y34 R43 W44Y34-P41 WeakPolarHBondContact O-CA 3.39Å; P41-R43 HydrophobicContact CB-CG 4.01Å; P41-R43 PolarHBondContact O-N 2.94Å; P41-R43 VanDerWaalsContact O-N 3.16Å; P41-W44 HydrophobicContact CB-CD2 4.15Å; P41-W44 HydrophobicContact CB-CG 4.39Å; P41-W44 HydrophobicContact CB-CZ2 4.37Å; P41-W44 HydrophobicContact CG-CD2 4.29Å; P41-W44 HydrophobicContact CG-CH2 4.12Å; P41-W44 HydrophobicContact CG-CZ2 3.7Å; P41-W44 WeakPolarHBondContact O-CB 3.42Å; P41-W44 PolarHBondContact O-N 3.49Å; P41-W44 VanDerWaalsContact O-N 3.09Å
42A89.9Confident85.4Confident0 Ų046.5 Ų46.50%023%0.23CC..G310 helixtrans-59-29.8-178.900000113.1Y34 L40 W44 Q45 T74 M78 V117Y34-A42 PolarHBondContact O-N 2.97Å; L40-A42 PolarHBondContact O-N 2.99Å; A42-W44 PolarHBondContact O-N 2.83Å; A42-Q45 PolarHBondContact O-N 3.48Å; A42-T74 HydrophobicContact CB-CG2 3.72Å; A42-M78 HydrophobicContact CB-CE 4.14Å; A42-M78 HydrophobicContact CB-SD 3.28Å; A42-M78 WeakPolarHBondContact CB-SD 3.47Å; A42-V117 HydrophobicContact CB-CG1 3.42Å; A42-V117 VanDerWaalsContact CB-CG1 3.42Å; A42-V117 WeakPolarHBondContact O-CG1 3.44Å
43R86.8Confident84.8Confident45 Ų4549.9 Ų49.917%0.1725%0.248CC..G310 helixtrans-57.2-23.2177.471.3-178.7-173.2-157.98113.6N36 P41 Q45 L46 D601N36-R43 PolarHBondContact OD1-NH1 3.43Å; P41-R43 HydrophobicContact CB-CG 4.01Å; P41-R43 PolarHBondContact O-N 2.94Å; P41-R43 VanDerWaalsContact O-N 3.16Å; R43-Q45 VanDerWaalsContact C-N 3.25Å; R43-Q45 PolarHBondContact O-N 2.84Å; R43-L46 PolarHBondContact O-N 2.77Å; R43-D601 IonicContact CZ-OD2 3.14Å; R43-D601 IonicContact NE-OD2 3.06Å; R43-D601 PolarHBondContact NE-OD2 3.13Å; R43-D601 IonicContact NH2-OD2 2.8Å; R43-D601 PolarHBondContact NH2-OD2 2.96Å
44W85.6Confident84.2Confident31 Ų3155.7 Ų55.712%0.11728%0.278CS..G310 helixtrans-67.9-25.6178.3-63.4-14.6000113.3L40 P41 A42 R47 L599 D601L40-W44 HydrophobicContact CD2-CZ3 3.97Å; P41-W44 HydrophobicContact CB-CD2 4.15Å; P41-W44 HydrophobicContact CB-CG 4.39Å; P41-W44 HydrophobicContact CB-CZ2 4.37Å; P41-W44 HydrophobicContact CG-CD2 4.29Å; P41-W44 HydrophobicContact CG-CH2 4.12Å; P41-W44 HydrophobicContact CG-CZ2 3.7Å; P41-W44 WeakPolarHBondContact O-CB 3.42Å; P41-W44 PolarHBondContact O-N 3.49Å; P41-W44 VanDerWaalsContact O-N 3.09Å; A42-W44 PolarHBondContact O-N 2.83Å; W44-R47 PolarHBondContact O-NE 3.31Å; W44-L599 HydrophobicContact CH2-CD2 4.23Å; W44-L599 WeakPolarHBondContact CH2-O 3.49Å; W44-L599 HydrophobicContact CZ3-CD2 3.75Å; W44-D601 HydrophobicContact CZ2-CB 4.04Å; W44-D601 PolarHBondContact NE1-OD2 2.95Å
45Q85.8Confident83.7Confident103 Ų10359.2 Ų59.248%0.48130%0.295SS..THydrogen-bonded Turntrans-86-30.8175.7-59-59.8-32.300112A42 R43 R47 V117 Q119A42-Q45 PolarHBondContact O-N 3.48Å; R43-Q45 VanDerWaalsContact C-N 3.25Å; R43-Q45 PolarHBondContact O-N 2.84Å; Q45-R47 VanDerWaalsContact C-N 3.28Å; Q45-R47 PolarHBondContact O-N 2.79Å; Q45-R47 VanDerWaalsContact O-N 3.16Å; Q45-V117 HydrophobicContact CB-CG1 4.2Å; Q45-Q119 HydrophobicContact CG-CG 3.9Å; Q45-Q119 VanDerWaalsContact CG-NE2 3.31Å; Q45-Q119 VanDerWaalsContact NE2-CD 3.31Å; Q45-Q119 VanDerWaalsContact NE2-NE2 3.13Å
46L81.3Confident83.3Confident24 Ų2459.6 Ų59.613%0.12630%0.296CS..  trans-9049-178.1-64173.3000112.4R43 Y48 T62 L64 W65 T74 V117R43-L46 PolarHBondContact O-N 2.77Å; L46-Y48 PolarHBondContact O-N 2.9Å; L46-T62 HydrophobicContact CD2-CG2 3.89Å; L46-L64 HydrophobicContact CD1-CB 3.67Å; L46-L64 HydrophobicContact CD1-CD1 4.18Å; L46-W65 HydrophobicContact CB-CH2 4.09Å; L46-W65 HydrophobicContact CB-CZ3 4.07Å; L46-W65 HydrophobicContact CD2-CD2 3.99Å; L46-W65 HydrophobicContact CD2-CE3 4.16Å; L46-W65 HydrophobicContact CD2-CH2 3.77Å; L46-W65 HydrophobicContact CD2-CZ2 3.56Å; L46-W65 HydrophobicContact CD2-CZ3 4.06Å; L46-T74 HydrophobicContact CD1-CG2 3.74Å; L46-V117 HydrophobicContact CD1-CG2 4.33Å; L46-V117 HydrophobicContact CD2-CG2 3.86Å; L46-V117 HydrophobicContact CG-CG1 4.48Å; L46-V117 HydrophobicContact CG-CG2 4.03Å
47R73.2Confident83.1Confident176 Ų17660.3 Ų60.366%0.66430%0.3SS*.  trans-71.1124176.6-68.2-175.7-177.2-168.2-1.2109.7W44 Q45 T49W44-R47 PolarHBondContact O-NE 3.31Å; Q45-R47 VanDerWaalsContact C-N 3.28Å; Q45-R47 PolarHBondContact O-N 2.79Å; Q45-R47 VanDerWaalsContact O-N 3.16Å; R47-T49 PolarHBondContact O-N 2.83Å; R47-T49 VanDerWaalsContact O-N 3.16Å
48Y67.6Low82.8Confident184 Ų18462.3 Ų62.372%0.72231%0.31SS*.  trans-65.8113.7177.4-174.9-101.5000110.4L46 G50L46-Y48 PolarHBondContact O-N 2.9Å; Y48-G50 VanDerWaalsContact CE1-CA 3.49Å
49T64.6Low82.4Confident90 Ų9065.3 Ų65.355%0.55233%0.328SS*.  trans-96.89.5-17952.70000113.6R47 K51R47-T49 PolarHBondContact O-N 2.83Å; R47-T49 VanDerWaalsContact O-N 3.16Å; T49-K51 PolarHBondContact O-N 2.88Å; T49-K51 VanDerWaalsContact O-N 3.16Å
50G68.9Low81.9Confident52 Ų5266.8 Ų66.854%0.53634%0.339SS..SBendtrans70.14.3-177.900000115.2Y48Y48-G50 VanDerWaalsContact CE1-CA 3.49Å
51K79.8Confident81.8Confident82 Ų8267 Ų6736%0.35734%0.341SS..  trans-77.2152.4178.8-68.8-176.3170.3-149.80111.5T49 E55 Q56T49-K51 PolarHBondContact O-N 2.88Å; T49-K51 VanDerWaalsContact O-N 3.16Å; K51-E55 HydrophobicContact CD-CG 4.42Å; K51-E55 WeakPolarHBondContact CD-OE1 3.29Å; K51-E55 WeakPolarHBondContact CE-OE1 3.11Å; K51-E55 IonicContact NZ-OE1 2.96Å; K51-E55 PolarHBondContact NZ-OE1 2.92Å; K51-Q56 HydrophobicContact CB-CG 3.91Å; K51-Q56 PolarHBondContact O-NE2 3.47Å
52P85.1Confident81.8Confident83 Ų8367.1 Ų67.154%0.53934%0.341SS..  trans-60.8150.4172.626.4-33.8000111.4L54 E55 Q56P52-L54 VanDerWaalsContact C-N 3.26Å; P52-L54 PolarHBondContact O-N 2.85Å; P52-E55 HydrophobicContact CG-CB 3.93Å; P52-E55 PolarHBondContact O-N 2.91Å; P52-E55 VanDerWaalsContact O-N 3.1Å; P52-Q56 PolarHBondContact O-N 3.19Å; P52-Q56 VanDerWaalsContact O-N 3.11Å
53L82.6Confident81.9Confident72 Ų7270 Ų7038%0.37736%0.356SS..Hα-helixtrans-53.5-41.6-175.6-172.191.8000112.5E55 Q56 L57 W65 L66L53-E55 PolarHBondContact O-N 2.94Å; L53-Q56 WeakPolarHBondContact O-CB 3.14Å; L53-Q56 PolarHBondContact O-N 2.99Å; L53-L57 HydrophobicContact CD2-CD1 4.03Å; L53-L57 HydrophobicContact CG-CD1 4.05Å; L53-L57 WeakPolarHBondContact O-CG 3.31Å; L53-L57 PolarHBondContact O-N 2.84Å; L53-W65 HydrophobicContact CD1-CB 4.12Å; L53-L66 HydrophobicContact CD1-CD2 4.31Å; L53-L66 HydrophobicContact CD2-CD2 3.94Å
54L81.9Confident82Confident123 Ų12368.1 Ų68.164%0.64435%0.35SS*.Hα-helixtrans-63.6-41.6-178.8-174.163.9000112P52 Q56 L57 L58P52-L54 VanDerWaalsContact C-N 3.26Å; P52-L54 PolarHBondContact O-N 2.85Å; L54-Q56 VanDerWaalsContact C-N 3.34Å; L54-L57 PolarHBondContact O-N 3.24Å; L54-L58 HydrophobicContact CG-CD1 4.18Å; L54-L58 WeakPolarHBondContact O-CB 3.33Å; L54-L58 VanDerWaalsContact O-CG 3.27Å; L54-L58 WeakPolarHBondContact O-CG 3.39Å; L54-L58 PolarHBondContact O-N 3.24Å
55E84.2Confident82.1Confident77 Ų7768 Ų6836%0.3635%0.35SS..Hα-helixtrans-68.5-35.7177.1-164.8-170155.600111.2K51 P52 L53 L58 T59K51-E55 HydrophobicContact CD-CG 4.42Å; K51-E55 WeakPolarHBondContact CD-OE1 3.29Å; K51-E55 WeakPolarHBondContact CE-OE1 3.11Å; K51-E55 IonicContact NZ-OE1 2.96Å; K51-E55 PolarHBondContact NZ-OE1 2.92Å; P52-E55 HydrophobicContact CG-CB 3.93Å; P52-E55 PolarHBondContact O-N 2.91Å; P52-E55 VanDerWaalsContact O-N 3.1Å; L53-E55 PolarHBondContact O-N 2.94Å; E55-L58 PolarHBondContact O-N 3.42Å; E55-T59 WeakPolarHBondContact O-CB 3.1Å; E55-T59 VanDerWaalsContact O-CG2 3.3Å; E55-T59 WeakPolarHBondContact O-CG2 3.44Å; E55-T59 PolarHBondContact O-N 3.25Å; E55-T59 PolarHBondContact O-OG1 3.43Å
56Q84Confident82.1Confident9 Ų966.1 Ų66.14%0.04234%0.342CS..Hα-helixtrans-64.2-41.7173.8-65.4-1788.700111.9K51 P52 L53 L54 T59 S60 W65K51-Q56 HydrophobicContact CB-CG 3.91Å; K51-Q56 PolarHBondContact O-NE2 3.47Å; P52-Q56 PolarHBondContact O-N 3.19Å; P52-Q56 VanDerWaalsContact O-N 3.11Å; L53-Q56 WeakPolarHBondContact O-CB 3.14Å; L53-Q56 PolarHBondContact O-N 2.99Å; L54-Q56 VanDerWaalsContact C-N 3.34Å; Q56-T59 WeakPolarHBondContact CA-OG1 3.35Å; Q56-T59 PolarHBondContact O-N 2.85Å; Q56-T59 PolarHBondContact O-OG1 3.19Å; Q56-T59 VanDerWaalsContact O-OG1 3.04Å; Q56-S60 CarbonylContact O-C 3.59Å; Q56-S60 PolarHBondContact O-N 3.46Å; Q56-S60 VanDerWaalsContact O-O 3.09Å; Q56-S60 PolarHBondContact O-OG 2.85Å; Q56-W65 HydrophobicContact CB-CD2 4.37Å; Q56-W65 VanDerWaalsContact OE1-CE3 3.27Å
57L84.6Confident82.3Confident47 Ų4765.2 Ų65.225%0.24634%0.338CS..Hα-helixtrans-66.8-39.3176.1-74.6167.3000112.4L53 L54 S60 P61 T62L53-L57 HydrophobicContact CD2-CD1 4.03Å; L53-L57 HydrophobicContact CG-CD1 4.05Å; L53-L57 WeakPolarHBondContact O-CG 3.31Å; L53-L57 PolarHBondContact O-N 2.84Å; L54-L57 PolarHBondContact O-N 3.24Å; L57-S60 CarbonylContact O-C 3.55Å; L57-S60 VanDerWaalsContact O-C 3.32Å; L57-P61 WeakPolarHBondContact O-CA 3.44Å; L57-T62 VanDerWaalsContact CD2-O 3.26Å; L57-T62 WeakPolarHBondContact CD2-O 3.43Å
58L82.6Confident82.7Confident98 Ų9859.4 Ų59.451%0.51332%0.324SS..Hα-helixtrans-70.7-32.3176.9-71.6170.2000112.7L54 E55L54-L58 HydrophobicContact CG-CD1 4.18Å; L54-L58 WeakPolarHBondContact O-CB 3.33Å; L54-L58 VanDerWaalsContact O-CG 3.27Å; L54-L58 WeakPolarHBondContact O-CG 3.39Å; L54-L58 PolarHBondContact O-N 3.24Å; E55-L58 PolarHBondContact O-N 3.42Å
59T82.9Confident83.4Confident63 Ų6356.8 Ų56.839%0.38732%0.322SS..Hα-helixtrans-80.7-40.3177.949.40000112.2E55 Q56E55-T59 WeakPolarHBondContact O-CB 3.1Å; E55-T59 VanDerWaalsContact O-CG2 3.3Å; E55-T59 WeakPolarHBondContact O-CG2 3.44Å; E55-T59 PolarHBondContact O-N 3.25Å; E55-T59 PolarHBondContact O-OG1 3.43Å; Q56-T59 WeakPolarHBondContact CA-OG1 3.35Å; Q56-T59 PolarHBondContact O-N 2.85Å; Q56-T59 PolarHBondContact O-OG1 3.19Å; Q56-T59 VanDerWaalsContact O-OG1 3.04Å
60S85.3Confident84.1Confident31 Ų3157.6 Ų57.622%0.21732%0.322CS..SBendtrans-135.296.1178.854.60000109.4Q56 L57 T62 W65Q56-S60 CarbonylContact O-C 3.59Å; Q56-S60 PolarHBondContact O-N 3.46Å; Q56-S60 VanDerWaalsContact O-O 3.09Å; Q56-S60 PolarHBondContact O-OG 2.85Å; L57-S60 CarbonylContact O-C 3.55Å; L57-S60 VanDerWaalsContact O-C 3.32Å; S60-T62 VanDerWaalsContact C-N 3.3Å; S60-T62 PolarHBondContact O-N 3.16Å; S60-W65 PolarHBondContact O-NE1 3.27Å; S60-W65 WeakPolarHBondContact OG-CZ2 3.37Å; S60-W65 PolarHBondContact OG-NE1 3.41Å
61P89.6Confident84.7Confident16 Ų1656.3 Ų56.310%0.10431%0.309CS..  trans-73.883.6-173.429.6-34.6000110.7L57 L112 Q116 Y437L57-P61 WeakPolarHBondContact O-CA 3.44Å; P61-L112 HydrophobicContact CB-CD2 4.24Å; P61-L112 HydrophobicContact CG-CD2 4.2Å; P61-Q116 HydrophobicContact CG-CG 4.2Å; P61-Q116 WeakPolarHBondContact O-CG 3.28Å; P61-Y437 HydrophobicContact CB-CD1 4.05Å; P61-Y437 HydrophobicContact CB-CE1 3.76Å; P61-Y437 HydrophobicContact CG-CD1 4.02Å; P61-Y437 HydrophobicContact CG-CE1 4.02Å
62T91.6Very high85Confident3 Ų352.7 Ų52.72%0.01829%0.293CS..  trans-138132.2177-1770000112.4L46 L57 S60 L64 W65 S113 V117L46-T62 HydrophobicContact CD2-CG2 3.89Å; L57-T62 VanDerWaalsContact CD2-O 3.26Å; L57-T62 WeakPolarHBondContact CD2-O 3.43Å; S60-T62 VanDerWaalsContact C-N 3.3Å; S60-T62 PolarHBondContact O-N 3.16Å; T62-L64 HydrophobicContact CG2-CB 4.42Å; T62-L64 PolarHBondContact O-N 3.31Å; T62-L64 WeakPolarHBondContact OG1-CB 3.29Å; T62-L64 WeakPolarHBondContact OG1-CG 3.37Å; T62-L64 PolarHBondContact OG1-N 3.4Å; T62-W65 VanDerWaalsContact CG2-CD1 3.46Å; T62-W65 HydrophobicContact CG2-CG 4.26Å; T62-W65 VanDerWaalsContact CG2-NE1 3.32Å; T62-S113 WeakPolarHBondContact OG1-CA 3.5Å; T62-S113 WeakPolarHBondContact OG1-CB 3.29Å; T62-S113 PolarHBondContact OG1-O 2.77Å; T62-V117 HydrophobicContact CG2-CG2 4.3Å
63L91.2Very high85.1Confident60 Ų6049.3 Ų49.331%0.31427%0.27SS..G310 helixtrans-70-10174.7-64.1171.4000112.5W65 L66 L81 L110 S113L63-W65 PolarHBondContact O-N 2.84Å; L63-L66 HydrophobicContact CD2-CD1 4.1Å; L63-L66 WeakPolarHBondContact O-CB 3.14Å; L63-L66 PolarHBondContact O-N 3.17Å; L63-L81 HydrophobicContact CB-CD1 4.25Å; L63-L81 HydrophobicContact CB-CD2 4.41Å; L63-L110 HydrophobicContact CD1-CD2 3.98Å; L63-S113 WeakPolarHBondContact CB-OG 3.25Å; L63-S113 VanDerWaalsContact CG-OG 3.3Å; L63-S113 WeakPolarHBondContact CG-OG 3.26Å; L63-S113 PolarHBondContact N-OG 3.4Å
64L90.2Very high85.5Confident6 Ų647.2 Ų47.23%0.03126%0.261CS..G310 helixtrans-64.2-21177.9-67.6170.7000113L46 T62 L66 G67 P68 A77 M78 L81 V117L46-L64 HydrophobicContact CD1-CB 3.67Å; L46-L64 HydrophobicContact CD1-CD1 4.18Å; T62-L64 HydrophobicContact CG2-CB 4.42Å; T62-L64 PolarHBondContact O-N 3.31Å; T62-L64 WeakPolarHBondContact OG1-CB 3.29Å; T62-L64 WeakPolarHBondContact OG1-CG 3.37Å; T62-L64 PolarHBondContact OG1-N 3.4Å; L64-L66 PolarHBondContact O-N 3.15Å; L64-G67 PolarHBondContact O-N 3.25Å; L64-P68 WeakPolarHBondContact O-CD 3.27Å; L64-A77 HydrophobicContact CD2-CB 3.9Å; L64-M78 HydrophobicContact CD1-CG 3.74Å; L64-M78 HydrophobicContact CD1-SD 4.35Å; L64-M78 HydrophobicContact CD2-CB 4.34Å; L64-M78 HydrophobicContact CD2-CG 3.52Å; L64-M78 HydrophobicContact CG-CG 4.3Å; L64-L81 HydrophobicContact CD2-CD1 3.6Å; L64-L81 HydrophobicContact CD2-CG 4.42Å; L64-L81 HydrophobicContact CG-CD1 3.93Å; L64-V117 HydrophobicContact CD1-CB 3.97Å; L64-V117 HydrophobicContact CD1-CG1 4.25Å; L64-V117 HydrophobicContact CD1-CG2 3.76Å
65W87Confident85.9Confident30 Ų3043.2 Ų43.211%0.11424%0.239CC..G310 helixtrans-61.7-23.4171-65.3122000113.3L46 L53 Q56 S60 T62 L63 P68L46-W65 HydrophobicContact CB-CH2 4.09Å; L46-W65 HydrophobicContact CB-CZ3 4.07Å; L46-W65 HydrophobicContact CD2-CD2 3.99Å; L46-W65 HydrophobicContact CD2-CE3 4.16Å; L46-W65 HydrophobicContact CD2-CH2 3.77Å; L46-W65 HydrophobicContact CD2-CZ2 3.56Å; L46-W65 HydrophobicContact CD2-CZ3 4.06Å; L53-W65 HydrophobicContact CD1-CB 4.12Å; Q56-W65 HydrophobicContact CB-CD2 4.37Å; Q56-W65 VanDerWaalsContact OE1-CE3 3.27Å; S60-W65 PolarHBondContact O-NE1 3.27Å; S60-W65 WeakPolarHBondContact OG-CZ2 3.37Å; S60-W65 PolarHBondContact OG-NE1 3.41Å; T62-W65 VanDerWaalsContact CG2-CD1 3.46Å; T62-W65 HydrophobicContact CG2-CG 4.26Å; T62-W65 VanDerWaalsContact CG2-NE1 3.32Å; L63-W65 PolarHBondContact O-N 2.84Å; W65-P68 WeakPolarHBondContact O-CD 3.44Å
66L86.1Confident86.3Confident63 Ų6340.1 Ų40.133%0.3323%0.225SC..G310 helixtrans-82.4-17175.7-57.7174.3000112.7L53 L63 L64 L69 L70L53-L66 HydrophobicContact CD1-CD2 4.31Å; L53-L66 HydrophobicContact CD2-CD2 3.94Å; L63-L66 HydrophobicContact CD2-CD1 4.1Å; L63-L66 WeakPolarHBondContact O-CB 3.14Å; L63-L66 PolarHBondContact O-N 3.17Å; L64-L66 PolarHBondContact O-N 3.15Å; L66-L69 HydrophobicContact CD2-CD1 3.82Å; L66-L69 WeakPolarHBondContact O-CB 3.37Å; L66-L69 PolarHBondContact O-N 3.08Å; L66-L70 PolarHBondContact O-N 3.28Å
67G84.6Confident86.7Confident4 Ų440 Ų404%0.04123%0.225CC..G310 helixtrans-52.6-48.9-179.800000113.3L64 L69 L70 G71 L72L64-G67 PolarHBondContact O-N 3.25Å; G67-L69 VanDerWaalsContact C-N 3.29Å; G67-L69 PolarHBondContact O-N 3.37Å; G67-L70 CarbonylContact O-C 3.37Å; G67-L70 WeakPolarHBondContact O-CA 3.4Å; G67-L70 WeakPolarHBondContact O-CB 3.39Å; G67-L70 PolarHBondContact O-N 3.42Å; G67-G71 PolarHBondContact O-N 2.98Å; G67-L72 PolarHBondContact O-N 3.39Å
68P82.7Confident87.2Confident54 Ų5437.7 Ų37.735%0.35121%0.214SC..G310 helixtrans-57.5-34.5174.4-30.738000115.4L64 W65 L70 G71L64-P68 WeakPolarHBondContact O-CD 3.27Å; W65-P68 WeakPolarHBondContact O-CD 3.44Å; P68-L70 VanDerWaalsContact C-N 3.26Å; P68-L70 PolarHBondContact O-N 3.08Å; P68-G71 PolarHBondContact O-N 2.86Å; P68-G71 VanDerWaalsContact O-N 3.09Å
69L81.3Confident87.8Confident130 Ų13033.3 Ų33.368%0.68119%0.19SC*.G310 helixtrans-68.1-30.8177.4-61.9172000111.3L66 G67 G71L66-L69 HydrophobicContact CD2-CD1 3.82Å; L66-L69 WeakPolarHBondContact O-CB 3.37Å; L66-L69 PolarHBondContact O-N 3.08Å; G67-L69 VanDerWaalsContact C-N 3.29Å; G67-L69 PolarHBondContact O-N 3.37Å; L69-G71 PolarHBondContact O-N 3.1Å
70L80.8Confident88.4Confident107 Ų10732.1 Ų32.156%0.5618%0.182SC*.G310 helixtrans-83.53.3173.6-58.7172.4000112.8L66 G67 P68 L72L66-L70 PolarHBondContact O-N 3.28Å; G67-L70 CarbonylContact O-C 3.37Å; G67-L70 WeakPolarHBondContact O-CA 3.4Å; G67-L70 WeakPolarHBondContact O-CB 3.39Å; G67-L70 PolarHBondContact O-N 3.42Å; P68-L70 VanDerWaalsContact C-N 3.26Å; P68-L70 PolarHBondContact O-N 3.08Å; L70-L72 HydrophobicContact CB-CD1 3.99Å; L70-L72 HydrophobicContact CB-CG 3.89Å; L70-L72 HydrophobicContact CD1-CD1 4.22Å; L70-L72 PolarHBondContact O-N 2.88Å
71G81.3Confident88.9Confident25 Ų2531.9 Ų31.926%0.25818%0.177SC..THydrogen-bonded Turntrans68.414.7-17500000114.2G67 P68 L69 S609G67-G71 PolarHBondContact O-N 2.98Å; P68-G71 PolarHBondContact O-N 2.86Å; P68-G71 VanDerWaalsContact O-N 3.09Å; L69-G71 PolarHBondContact O-N 3.1Å; G71-S609 VanDerWaalsContact C-OG 3.27Å; G71-S609 WeakPolarHBondContact CA-OG 3.49Å; G71-S609 WeakPolarHBondContact O-CB 3.07Å; G71-S609 PolarHBondContact O-OG 3.48Å
72L85.8Confident89.3Confident6 Ų631.1 Ų31.13%0.03117%0.172CC..  trans-88142.2-177.7-57.6176.9000110.7G67 L70 T76 A77 L80 V613 A614G67-L72 PolarHBondContact O-N 3.39Å; L70-L72 HydrophobicContact CB-CD1 3.99Å; L70-L72 HydrophobicContact CB-CG 3.89Å; L70-L72 HydrophobicContact CD1-CD1 4.22Å; L70-L72 PolarHBondContact O-N 2.88Å; L72-T76 HydrophobicContact CD2-CG2 4.16Å; L72-A77 HydrophobicContact CB-CB 4.15Å; L72-A77 HydrophobicContact CD1-CB 4.49Å; L72-L80 HydrophobicContact CD1-CD2 3.56Å; L72-V613 HydrophobicContact CD1-CG1 4.46Å; L72-V613 HydrophobicContact CD2-CG1 4.41Å; L72-A614 HydrophobicContact CD2-CB 3.79Å
73D87.5Confident89.5Confident11 Ų1132.9 Ų32.96%0.05918%0.182CC..  trans-73.3158.2165-175.335.1000110.5N36 Q75 T76 A77 V608N36-D73 PolarHBondContact ND2-OD2 3.45Å; D73-Q75 VanDerWaalsContact C-N 3.28Å; D73-Q75 PolarHBondContact O-N 3.45Å; D73-T76 PolarHBondContact O-N 2.92Å; D73-A77 WeakPolarHBondContact O-CB 3.44Å; D73-A77 PolarHBondContact O-N 3.46Å; D73-V608 HydrophobicContact CB-CG2 4.21Å
74T89.5Confident89.8Confident28 Ų2832.8 Ų32.817%0.17218%0.184CC..Hα-helixtrans-56.9-41.2-175-55.80000112.1A42 L46 A77 M78A42-T74 HydrophobicContact CB-CG2 3.72Å; L46-T74 HydrophobicContact CD1-CG2 3.74Å; T74-A77 PolarHBondContact O-N 3.06Å; T74-M78 HydrophobicContact CG2-SD 4.35Å; T74-M78 WeakPolarHBondContact O-CG 3.37Å; T74-M78 PolarHBondContact O-N 3.23Å
75Q91.4Very high90.2Very high40 Ų4032.5 Ų32.519%0.18718%0.182CC..Hα-helixtrans-61.3-53.5176.7178.7179.3-29.300111.4I30 D73 A77 M78 E79I30-Q75 HydrophobicContact CG2-CG 4.3Å; D73-Q75 VanDerWaalsContact C-N 3.28Å; D73-Q75 PolarHBondContact O-N 3.45Å; Q75-A77 VanDerWaalsContact C-N 3.27Å; Q75-A77 PolarHBondContact O-N 2.88Å; Q75-M78 WeakPolarHBondContact O-CB 3.12Å; Q75-M78 PolarHBondContact O-N 3.33Å; Q75-M78 VanDerWaalsContact O-N 3.17Å; Q75-E79 WeakPolarHBondContact O-CG 3.48Å; Q75-E79 PolarHBondContact O-N 3.05Å
76T91.6Very high90.7Very high11 Ų1131.8 Ų31.87%0.06718%0.183CC..Hα-helixtrans-63.3-35.1-179-46.90000111.7L72 D73 E79 L80 A614 V617L72-T76 HydrophobicContact CD2-CG2 4.16Å; D73-T76 PolarHBondContact O-N 2.92Å; T76-E79 PolarHBondContact O-N 3.42Å; T76-L80 WeakPolarHBondContact O-CB 3.34Å; T76-L80 PolarHBondContact O-N 3.18Å; T76-A614 HydrophobicContact CG2-CB 4.32Å; T76-V617 HydrophobicContact CG2-CB 4.05Å; T76-V617 HydrophobicContact CG2-CG1 3.93Å
77A93.1Very high91.2Very high6 Ų631.6 Ų31.65%0.0519%0.19CC..Hα-helixtrans-63.9-46.7173.900000111.3L64 L72 D73 T74 Q75 E79 L80 L81L64-A77 HydrophobicContact CD2-CB 3.9Å; L72-A77 HydrophobicContact CB-CB 4.15Å; L72-A77 HydrophobicContact CD1-CB 4.49Å; D73-A77 WeakPolarHBondContact O-CB 3.44Å; D73-A77 PolarHBondContact O-N 3.46Å; T74-A77 PolarHBondContact O-N 3.06Å; Q75-A77 VanDerWaalsContact C-N 3.27Å; Q75-A77 PolarHBondContact O-N 2.88Å; A77-E79 VanDerWaalsContact C-N 3.32Å; A77-E79 PolarHBondContact O-N 2.9Å; A77-L80 WeakPolarHBondContact O-CB 3.4Å; A77-L80 PolarHBondContact O-N 3.37Å; A77-L81 WeakPolarHBondContact O-CG 3.07Å; A77-L81 PolarHBondContact O-N 2.99Å
78M94.7Very high91.8Very high0 Ų034.2 Ų34.20%020%0.203CC..Hα-helixtrans-59.8-41.9175.2-76.1-179.68600112.5I30 Y34 A42 L64 T74 Q75 L81 C82 M114I30-M78 HydrophobicContact CD1-CB 4.21Å; I30-M78 HydrophobicContact CG2-CB 4.25Å; Y34-M78 HydrophobicContact CD2-CE 3.83Å; Y34-M78 HydrophobicContact CE2-CE 4.46Å; Y34-M78 HydrophobicContact CG-CE 3.91Å; A42-M78 HydrophobicContact CB-CE 4.14Å; A42-M78 HydrophobicContact CB-SD 3.28Å; A42-M78 WeakPolarHBondContact CB-SD 3.47Å; L64-M78 HydrophobicContact CD1-CG 3.74Å; L64-M78 HydrophobicContact CD1-SD 4.35Å; L64-M78 HydrophobicContact CD2-CB 4.34Å; L64-M78 HydrophobicContact CD2-CG 3.52Å; L64-M78 HydrophobicContact CG-CG 4.3Å; T74-M78 HydrophobicContact CG2-SD 4.35Å; T74-M78 WeakPolarHBondContact O-CG 3.37Å; T74-M78 PolarHBondContact O-N 3.23Å; Q75-M78 WeakPolarHBondContact O-CB 3.12Å; Q75-M78 PolarHBondContact O-N 3.33Å; Q75-M78 VanDerWaalsContact O-N 3.17Å; M78-L81 PolarHBondContact O-N 3.17Å; M78-C82 PolarHBondContact O-N 3.12Å; M78-C82 VanDerWaalsContact O-N 3.08Å; M78-C82 PolarHBondContact O-SG 3.47Å; M78-C82 VanDerWaalsContact O-SG 3.38Å; M78-M114 HydrophobicContact CB-CE 3.85Å; M78-M114 HydrophobicContact CB-SD 3.86Å; M78-M114 HydrophobicContact CE-CE 3.2Å; M78-M114 HydrophobicContact CE-SD 3.87Å; M78-M114 HydrophobicContact CG-CE 4Å; M78-M114 HydrophobicContact CG-SD 3.75Å; M78-M114 HydrophobicContact SD-CE 4.39Å
79E95.1Very high92.5Very high5 Ų531.6 Ų31.62%0.02319%0.186CC..Hα-helixtrans-61.9-45.6174.8-71.8-173.5165.100111.9Y27 I30 Q75 T76 A77 C82 L83 V617 R621Y27-E79 HydrophobicContact CD2-CB 4.37Å; Y27-E79 HydrophobicContact CD2-CG 4.46Å; Y27-E79 HydrophobicContact CE2-CB 3.96Å; Y27-E79 HydrophobicContact CE2-CG 4.14Å; I30-E79 HydrophobicContact CD1-CG 4.39Å; I30-E79 HydrophobicContact CG2-CG 4.05Å; Q75-E79 WeakPolarHBondContact O-CG 3.48Å; Q75-E79 PolarHBondContact O-N 3.05Å; T76-E79 PolarHBondContact O-N 3.42Å; A77-E79 VanDerWaalsContact C-N 3.32Å; A77-E79 PolarHBondContact O-N 2.9Å; E79-C82 PolarHBondContact O-N 3.25Å; E79-L83 WeakPolarHBondContact O-CG 3.27Å; E79-L83 PolarHBondContact O-N 3.08Å; E79-V617 HydrophobicContact CB-CG1 3.63Å; E79-V617 WeakPolarHBondContact OE2-CG1 3.4Å; E79-R621 VanDerWaalsContact CD-NH2 3.25Å; E79-R621 IonicContact OE1-CZ 2.74Å; E79-R621 VanDerWaalsContact OE1-CZ 3.28Å; E79-R621 IonicContact OE1-NE 3.61Å; E79-R621 PolarHBondContact OE1-NE 3.32Å; E79-R621 IonicContact OE1-NH2 3.86Å; E79-R621 PolarHBondContact OE1-NH2 3.31Å; E79-R621 IonicContact OE2-NE 3.55Å
80L95.7Very high93.2Very high39 Ų3927.7 Ų27.720%0.20417%0.166CC..Hα-helixtrans-60-47.3176.4-179.763.4000111.4L72 T76 A77 C82 L83 T84 V613 V617L72-L80 HydrophobicContact CD1-CD2 3.56Å; T76-L80 WeakPolarHBondContact O-CB 3.34Å; T76-L80 PolarHBondContact O-N 3.18Å; A77-L80 WeakPolarHBondContact O-CB 3.4Å; A77-L80 PolarHBondContact O-N 3.37Å; L80-C82 VanDerWaalsContact C-N 3.28Å; L80-C82 PolarHBondContact O-N 3.33Å; L80-L83 PolarHBondContact O-N 3.28Å; L80-T84 WeakPolarHBondContact O-CB 3.15Å; L80-T84 PolarHBondContact O-N 3.16Å; L80-T84 PolarHBondContact O-OG1 3.44Å; L80-V613 HydrophobicContact CD1-CG1 4.2Å; L80-V613 HydrophobicContact CD2-CG1 3.8Å; L80-V617 HydrophobicContact CB-CG2 4.06Å; L80-V617 HydrophobicContact CD1-CG2 3.8Å; L80-V617 HydrophobicContact CG-CG2 4.47Å
81L96.6Very high93.9Very high25 Ų2524 Ų2413%0.13115%0.15CC..Hα-helixtrans-59.7-40178.1-64.1-175000111.6L63 L64 A77 M78 G85 L110 M114L63-L81 HydrophobicContact CB-CD1 4.25Å; L63-L81 HydrophobicContact CB-CD2 4.41Å; L64-L81 HydrophobicContact CD2-CD1 3.6Å; L64-L81 HydrophobicContact CD2-CG 4.42Å; L64-L81 HydrophobicContact CG-CD1 3.93Å; A77-L81 WeakPolarHBondContact O-CG 3.07Å; A77-L81 PolarHBondContact O-N 2.99Å; M78-L81 PolarHBondContact O-N 3.17Å; L81-G85 PolarHBondContact O-N 3.31Å; L81-L110 HydrophobicContact CB-CD2 4.12Å; L81-L110 HydrophobicContact CD2-CD2 3.57Å; L81-L110 HydrophobicContact CG-CD2 4.32Å; L81-M114 HydrophobicContact CD1-SD 4.49Å
82C96.9Very high94.5Very high0 Ų022.8 Ų22.80%014%0.138CC..Hα-helixtrans-70-40.1177-69.80000112.9F23 Y27 I30 M78 E79 L80 G85 A86F23-C82 HydrophobicContact CD1-CB 4.3Å; Y27-C82 HydrophobicContact CD2-CB 4.18Å; I30-C82 HydrophobicContact CD1-CB 4.26Å; M78-C82 PolarHBondContact O-N 3.12Å; M78-C82 VanDerWaalsContact O-N 3.08Å; M78-C82 PolarHBondContact O-SG 3.47Å; M78-C82 VanDerWaalsContact O-SG 3.38Å; E79-C82 PolarHBondContact O-N 3.25Å; L80-C82 VanDerWaalsContact C-N 3.28Å; L80-C82 PolarHBondContact O-N 3.33Å; C82-G85 PolarHBondContact O-N 2.74Å; C82-A86 VanDerWaalsContact O-CB 3.27Å; C82-A86 WeakPolarHBondContact O-CB 3.36Å; C82-A86 PolarHBondContact O-N 3.16Å
83L97.1Very high94.9Very high41 Ų4122.5 Ų22.522%0.21514%0.137CC..Hα-helixtrans-65-43.8175.8-72.8174.6000111.3Y27 E79 L80 A86 A87 V617 V620Y27-L83 HydrophobicContact CD1-CD2 4.47Å; Y27-L83 HydrophobicContact CD2-CD2 4.07Å; Y27-L83 HydrophobicContact CD2-CG 3.97Å; Y27-L83 HydrophobicContact CE1-CD2 4.14Å; Y27-L83 HydrophobicContact CE2-CD1 3.84Å; Y27-L83 HydrophobicContact CE2-CD2 3.7Å; Y27-L83 HydrophobicContact CE2-CG 3.56Å; Y27-L83 HydrophobicContact CG-CD2 4.44Å; E79-L83 WeakPolarHBondContact O-CG 3.27Å; E79-L83 PolarHBondContact O-N 3.08Å; L80-L83 PolarHBondContact O-N 3.28Å; L83-A86 PolarHBondContact O-N 3.34Å; L83-A87 VanDerWaalsContact O-CB 3.32Å; L83-A87 WeakPolarHBondContact O-CB 3.32Å; L83-A87 PolarHBondContact O-N 3.26Å; L83-V617 HydrophobicContact CD1-CG1 4.17Å; L83-V617 HydrophobicContact CD1-CG2 4.47Å; L83-V620 HydrophobicContact CD1-CB 4.22Å; L83-V620 HydrophobicContact CD1-CG1 3.99Å; L83-V620 HydrophobicContact CD2-CG1 3.85Å
84T97.3Very high95.2Very high57 Ų5723.7 Ų23.735%0.3514%0.143SC..Hα-helixtrans-61.6-44.7174.4-58.90000111L80 A87 L88 L110L80-T84 WeakPolarHBondContact O-CB 3.15Å; L80-T84 PolarHBondContact O-N 3.16Å; L80-T84 PolarHBondContact O-OG1 3.44Å; T84-A87 PolarHBondContact O-N 3.33Å; T84-L88 HydrophobicContact CG2-CD1 3.95Å; T84-L88 HydrophobicContact CG2-CG 4.37Å; T84-L88 WeakPolarHBondContact O-CB 3.15Å; T84-L88 VanDerWaalsContact O-CG 3.32Å; T84-L88 WeakPolarHBondContact O-CG 3.36Å; T84-L88 PolarHBondContact O-N 2.88Å; T84-L110 HydrophobicContact CG2-CD1 4.15Å
85G97.8Very high95.2Very high0 Ų026.1 Ų26.10%015%0.154CC..Hα-helixtrans-62-43.7175.800000112.8F23 L81 C82 S89 L107F23-G85 VanDerWaalsContact CD2-C 3.5Å; L81-G85 PolarHBondContact O-N 3.31Å; C82-G85 PolarHBondContact O-N 2.74Å; G85-S89 VanDerWaalsContact O-CB 3.26Å; G85-S89 WeakPolarHBondContact O-CB 3.36Å; G85-S89 PolarHBondContact O-N 3.38Å; G85-S89 PolarHBondContact O-OG 3.36Å; G85-L107 VanDerWaalsContact O-CD2 3.26Å; G85-L107 WeakPolarHBondContact O-CD2 3.29Å
86A97.5Very high94.9Very high16 Ų1628.8 Ų28.813%0.13217%0.167CC..Hα-helixtrans-64.2-42.3175.900000112.1F23 V24 C82 L83 S89 L90F23-A86 HydrophobicContact CB-CB 4.11Å; V24-A86 HydrophobicContact CG2-CB 3.87Å; C82-A86 VanDerWaalsContact O-CB 3.27Å; C82-A86 WeakPolarHBondContact O-CB 3.36Å; C82-A86 PolarHBondContact O-N 3.16Å; L83-A86 PolarHBondContact O-N 3.34Å; A86-S89 WeakPolarHBondContact CA-OG 3.13Å; A86-S89 PolarHBondContact O-OG 3.34Å; A86-L90 WeakPolarHBondContact O-CB 3.48Å; A86-L90 PolarHBondContact O-N 3.22Å
87A97.1Very high94.6Very high59 Ų5931.8 Ų31.849%0.48819%0.187SC..Hα-helixtrans-67.3-46.217800000112.1L83 T84 S89 L90 A91L83-A87 VanDerWaalsContact O-CB 3.32Å; L83-A87 WeakPolarHBondContact O-CB 3.32Å; L83-A87 PolarHBondContact O-N 3.26Å; T84-A87 PolarHBondContact O-N 3.33Å; A87-S89 PolarHBondContact O-N 3.2Å; A87-L90 PolarHBondContact O-N 3.17Å; A87-A91 VanDerWaalsContact O-CB 3.27Å; A87-A91 WeakPolarHBondContact O-CB 3.47Å; A87-A91 PolarHBondContact O-N 3.07Å
88L97.3Very high94.4Very high58 Ų5834.2 Ų34.230%0.30420%0.198SC..Hα-helixtrans-62.6-42.5177.3-75.2174.4000111.9T84 A91 A92 C106 L107 L110T84-L88 HydrophobicContact CG2-CD1 3.95Å; T84-L88 HydrophobicContact CG2-CG 4.37Å; T84-L88 WeakPolarHBondContact O-CB 3.15Å; T84-L88 VanDerWaalsContact O-CG 3.32Å; T84-L88 WeakPolarHBondContact O-CG 3.36Å; T84-L88 PolarHBondContact O-N 2.88Å; L88-A91 PolarHBondContact O-N 3.37Å; L88-A92 WeakPolarHBondContact O-CB 3.37Å; L88-A92 PolarHBondContact O-N 2.99Å; L88-C106 HydrophobicContact CD1-CB 4.31Å; L88-L107 HydrophobicContact CB-CD2 3.86Å; L88-L110 HydrophobicContact CD1-CD1 4.16Å
89S97.4Very high94.2Very high0 Ų036 Ų360%021%0.205CC..Hα-helixtrans-70-39.2178.653.90000112.5A16 M20 G85 A86 A87 A92 S93A16-S89 WeakPolarHBondContact O-CB 3.43Å; M20-S89 WeakPolarHBondContact CA-OG 3.29Å; M20-S89 WeakPolarHBondContact CB-OG 3.3Å; M20-S89 PolarHBondContact N-OG 3.09Å; G85-S89 VanDerWaalsContact O-CB 3.26Å; G85-S89 WeakPolarHBondContact O-CB 3.36Å; G85-S89 PolarHBondContact O-N 3.38Å; G85-S89 PolarHBondContact O-OG 3.36Å; A86-S89 WeakPolarHBondContact CA-OG 3.13Å; A86-S89 PolarHBondContact O-OG 3.34Å; A87-S89 PolarHBondContact O-N 3.2Å; S89-A92 PolarHBondContact O-N 3.08Å; S89-S93 PolarHBondContact O-N 3.25Å
90L96.6Very high94Very high48 Ų4835.8 Ų35.825%0.25120%0.204SC..Hα-helixtrans-60.7-48.2170.7179.260.9000110.4M20 A86 A87 A92 S93 L94 S640M20-L90 HydrophobicContact SD-CB 4.14Å; M20-L90 HydrophobicContact SD-CD1 3.73Å; M20-L90 HydrophobicContact SD-CG 4.46Å; A86-L90 WeakPolarHBondContact O-CB 3.48Å; A86-L90 PolarHBondContact O-N 3.22Å; A87-L90 PolarHBondContact O-N 3.17Å; L90-A92 PolarHBondContact O-N 3.37Å; L90-S93 WeakPolarHBondContact O-CB 3.37Å; L90-S93 PolarHBondContact O-N 2.86Å; L90-S93 PolarHBondContact O-OG 3.08Å; L90-L94 HydrophobicContact CD1-CD1 3.99Å; L90-L94 HydrophobicContact CD1-CD2 4.49Å; L90-L94 HydrophobicContact CD1-CG 4.13Å; L90-L94 HydrophobicContact CG-CD1 4.03Å; L90-L94 HydrophobicContact CG-CG 4.5Å; L90-L94 WeakPolarHBondContact O-CG 3.42Å; L90-L94 PolarHBondContact O-N 3.17Å; L90-S640 WeakPolarHBondContact CD1-OG 3.39Å
91A95.1Very high93.8Very high28 Ų2834.2 Ų34.223%0.23120%0.196CC..Hα-helixtrans-60.1-43.4178.300000112.1A87 L88 S93 L94 L95 L98A87-A91 VanDerWaalsContact O-CB 3.27Å; A87-A91 WeakPolarHBondContact O-CB 3.47Å; A87-A91 PolarHBondContact O-N 3.07Å; L88-A91 PolarHBondContact O-N 3.37Å; A91-S93 VanDerWaalsContact C-N 3.29Å; A91-S93 PolarHBondContact O-N 3.08Å; A91-L94 PolarHBondContact O-N 2.98Å; A91-L95 WeakPolarHBondContact O-CB 3.19Å; A91-L95 PolarHBondContact O-N 3.16Å; A91-L98 HydrophobicContact CB-CD1 3.5Å
92A94.2Very high93.7Very high0 Ų036.4 Ų36.40%021%0.208CC..Hα-helixtrans-64.1-30.4173.700000113.3A16 L88 S89 L90 L98 R99 V103A16-A92 HydrophobicContact CB-CB 3.97Å; L88-A92 WeakPolarHBondContact O-CB 3.37Å; L88-A92 PolarHBondContact O-N 2.99Å; S89-A92 PolarHBondContact O-N 3.08Å; L90-A92 PolarHBondContact O-N 3.37Å; A92-L98 HydrophobicContact CB-CB 4.37Å; A92-R99 HydrophobicContact CB-CG 4.46Å; A92-R99 WeakPolarHBondContact O-CG 3.49Å; A92-R99 PolarHBondContact O-NE 2.92Å; A92-V103 HydrophobicContact CB-CG1 4.26Å
93S93.9Very high93.6Very high1 Ų137.1 Ų37.11%0.00721%0.212CC..Hα-helixtrans-70.2-41.4174.878.80000111.9W13 S89 L90 A91 R99W13-S93 VanDerWaalsContact CD1-O 3.25Å; W13-S93 PolarHBondContact NE1-O 3.15Å; S89-S93 PolarHBondContact O-N 3.25Å; L90-S93 WeakPolarHBondContact O-CB 3.37Å; L90-S93 PolarHBondContact O-N 2.86Å; L90-S93 PolarHBondContact O-OG 3.08Å; A91-S93 VanDerWaalsContact C-N 3.29Å; A91-S93 PolarHBondContact O-N 3.08Å; S93-R99 PolarHBondContact O-NH2 3.11Å
94L92.7Very high93.5Very high36 Ų3635.1 Ų35.119%0.18820%0.202CC..Hα-helixtrans-82.2-35-175.9-59.1176.5000112.9L90 A91 F643L90-L94 HydrophobicContact CD1-CD1 3.99Å; L90-L94 HydrophobicContact CD1-CD2 4.49Å; L90-L94 HydrophobicContact CD1-CG 4.13Å; L90-L94 HydrophobicContact CG-CD1 4.03Å; L90-L94 HydrophobicContact CG-CG 4.5Å; L90-L94 WeakPolarHBondContact O-CG 3.42Å; L90-L94 PolarHBondContact O-N 3.17Å; A91-L94 PolarHBondContact O-N 2.98Å; L94-F643 HydrophobicContact CB-CD1 4.21Å; L94-F643 HydrophobicContact CB-CE1 4.06Å; L94-F643 HydrophobicContact CD2-CB 4.08Å; L94-F643 HydrophobicContact CD2-CD1 3.6Å; L94-F643 HydrophobicContact CD2-CE1 4.31Å; L94-F643 HydrophobicContact CD2-CG 4Å; L94-F643 HydrophobicContact CG-CD1 4.35Å
95L89.4Confident93.5Very high78 Ų7837.1 Ų37.141%0.40821%0.205SC..  trans-115.2113.9-174.2-57.8176.4000110.1A91 P97 L98A91-L95 WeakPolarHBondContact O-CB 3.19Å; A91-L95 PolarHBondContact O-N 3.16Å; L95-P97 VanDerWaalsContact C-CD 3.4Å; L95-P97 VanDerWaalsContact C-N 3.35Å; L95-L98 HydrophobicContact CB-CB 4.39Å; L95-L98 HydrophobicContact CB-CD1 4.07Å; L95-L98 HydrophobicContact CB-CG 4.12Å; L95-L98 HydrophobicContact CD1-CD1 3.74Å; L95-L98 HydrophobicContact CD1-CG 4.4Å; L95-L98 HydrophobicContact CG-CD1 4.44Å; L95-L98 PolarHBondContact O-N 2.96Å; L95-L98 VanDerWaalsContact O-N 3.17Å
96E85.6Confident93.5Very high96 Ų9639.9 Ų39.945%0.44922%0.224SC..G310 helixtrans-55.8-38.9176-170.8173.3-166.400113.9R9 L98 R99R9-E96 WeakPolarHBondContact CD-OE1 3.3Å; R9-E96 IonicContact CZ-OE1 3.06Å; R9-E96 IonicContact NE-OE1 2.71Å; R9-E96 IonicContact NH1-OE1 3.79Å; R9-E96 PolarHBondContact NH1-OE1 2.78Å; E96-L98 PolarHBondContact O-N 2.68Å; E96-R99 WeakPolarHBondContact O-CB 3.46Å; E96-R99 PolarHBondContact O-N 2.91Å; E96-R99 VanDerWaalsContact O-N 3.09Å
97P85.3Confident93.5Very high75 Ų7539.1 Ų39.149%0.48722%0.218SC..G310 helixtrans-62.9-22.4178.2-24.135000114.8L95 R99L95-P97 VanDerWaalsContact C-CD 3.4Å; L95-P97 VanDerWaalsContact C-N 3.35Å; P97-R99 VanDerWaalsContact C-N 3.29Å
98L89Confident93.5Very high56 Ų5637 Ų3729%0.29320%0.197SC..G310 helixtrans-86.30.1178.9-65.7-177.6000112.9A91 A92 L95 E96 D100 V103A91-L98 HydrophobicContact CB-CD1 3.5Å; A92-L98 HydrophobicContact CB-CB 4.37Å; L95-L98 HydrophobicContact CB-CB 4.39Å; L95-L98 HydrophobicContact CB-CD1 4.07Å; L95-L98 HydrophobicContact CB-CG 4.12Å; L95-L98 HydrophobicContact CD1-CD1 3.74Å; L95-L98 HydrophobicContact CD1-CG 4.4Å; L95-L98 HydrophobicContact CG-CD1 4.44Å; L95-L98 PolarHBondContact O-N 2.96Å; L95-L98 VanDerWaalsContact O-N 3.17Å; E96-L98 PolarHBondContact O-N 2.68Å; L98-D100 PolarHBondContact O-N 2.88Å; L98-V103 WeakPolarHBondContact O-CB 3.45Å; L98-V103 WeakPolarHBondContact O-CG1 3.48Å; L98-V103 WeakPolarHBondContact O-CG2 3.4Å
99R91.4Very high93.5Very high38 Ų3835.2 Ų35.214%0.14319%0.191CC..  trans-83.149173.5-58.1178.9-163.1156.17.8110.9A92 S93 E96 P97 F104A92-R99 HydrophobicContact CB-CG 4.46Å; A92-R99 WeakPolarHBondContact O-CG 3.49Å; A92-R99 PolarHBondContact O-NE 2.92Å; S93-R99 PolarHBondContact O-NH2 3.11Å; E96-R99 WeakPolarHBondContact O-CB 3.46Å; E96-R99 PolarHBondContact O-N 2.91Å; E96-R99 VanDerWaalsContact O-N 3.09Å; P97-R99 VanDerWaalsContact C-N 3.29Å; R99-F104 HydrophobicContact CB-CE2 4.32Å
100D90.5Very high93.5Very high1 Ų135.8 Ų35.81%0.00519%0.194CC..SBendtrans-98.3156.2-175.4-177.267.3000111.5L98 L102 V103 F104 L143 T144 L145L98-D100 PolarHBondContact O-N 2.88Å; D100-L102 VanDerWaalsContact C-N 3.26Å; D100-L102 PolarHBondContact O-N 3.19Å; D100-L102 WeakPolarHBondContact OD2-CB 3.32Å; D100-L102 WeakPolarHBondContact OD2-CG 3.45Å; D100-L102 PolarHBondContact OD2-N 3.13Å; D100-L102 VanDerWaalsContact OD2-N 3.1Å; D100-V103 HydrophobicContact CB-CG2 4.41Å; D100-V103 PolarHBondContact O-N 3.26Å; D100-F104 VanDerWaalsContact O-CD2 3.3Å; D100-F104 WeakPolarHBondContact O-CD2 3.47Å; D100-F104 PolarHBondContact O-N 3.01Å; D100-F104 VanDerWaalsContact O-N 3.11Å; D100-L143 VanDerWaalsContact OD1-CA 3.28Å; D100-L143 WeakPolarHBondContact OD1-CA 3.43Å; D100-T144 PolarHBondContact OD1-N 3.16Å; D100-T144 PolarHBondContact OD1-OG1 3.21Å; D100-T144 VanDerWaalsContact OD1-OG1 3.14Å; D100-L145 HydrophobicContact CB-CD1 4.35Å
101S91.6Very high93.6Very high5 Ų533.5 Ų33.54%0.03518%0.182CC..Hα-helixtrans-59.1-35.5179.474.90000113.1F104 F105 V138 P142 L143S101-F104 PolarHBondContact O-N 2.74Å; S101-F105 WeakPolarHBondContact O-CB 3.38Å; S101-F105 PolarHBondContact O-N 3.37Å; S101-V138 VanDerWaalsContact CB-O 3.24Å; S101-V138 WeakPolarHBondContact CB-O 3.32Å; S101-P142 PolarHBondContact N-O 3.05Å; S101-L143 WeakPolarHBondContact OG-CD2 3.37Å; S101-L143 VanDerWaalsContact OG-CG 3.27Å; S101-L143 WeakPolarHBondContact OG-CG 3.31Å
102L93.1Very high93.6Very high71 Ų7132.4 Ų32.437%0.37217%0.172SC..Hα-helixtrans-67-40.5179.4-65.8176.6000110.9D100 F105 C106 L145D100-L102 VanDerWaalsContact C-N 3.26Å; D100-L102 PolarHBondContact O-N 3.19Å; D100-L102 WeakPolarHBondContact OD2-CB 3.32Å; D100-L102 WeakPolarHBondContact OD2-CG 3.45Å; D100-L102 PolarHBondContact OD2-N 3.13Å; D100-L102 VanDerWaalsContact OD2-N 3.1Å; L102-F105 WeakPolarHBondContact O-CB 3.42Å; L102-F105 PolarHBondContact O-N 3.11Å; L102-C106 PolarHBondContact O-N 2.96Å; L102-C106 PolarHBondContact O-SG 3.29Å; L102-L145 HydrophobicContact CD1-CB 3.89Å; L102-L145 HydrophobicContact CD1-CD2 4.21Å; L102-L145 HydrophobicContact CD1-CG 4.43Å
103V95.3Very high93.7Very high15 Ų1532.6 Ų32.69%0.09117%0.173CC..Hα-helixtrans-64.4-45.4176.8178.70000110.2A92 L98 D100 F105 C106 L107A92-V103 HydrophobicContact CB-CG1 4.26Å; L98-V103 WeakPolarHBondContact O-CB 3.45Å; L98-V103 WeakPolarHBondContact O-CG1 3.48Å; L98-V103 WeakPolarHBondContact O-CG2 3.4Å; D100-V103 HydrophobicContact CB-CG2 4.41Å; D100-V103 PolarHBondContact O-N 3.26Å; V103-F105 VanDerWaalsContact C-N 3.31Å; V103-F105 PolarHBondContact O-N 3.24Å; V103-C106 PolarHBondContact O-N 3.22Å; V103-L107 HydrophobicContact CG1-CD1 4.27Å; V103-L107 VanDerWaalsContact O-CG 3.31Å; V103-L107 WeakPolarHBondContact O-CG 3.46Å; V103-L107 PolarHBondContact O-N 2.93Å
104F96.5Very high93.8Very high0 Ų032.5 Ų32.50%017%0.173CC..Hα-helixtrans-64.6-34.4175.2-77.7-70.8000113L12 M15 Y19 R99 D100 S101 L107 W108 C137 V138 A141L12-F104 HydrophobicContact CB-CE2 4.1Å; L12-F104 HydrophobicContact CB-CZ 4.03Å; L12-F104 HydrophobicContact CD2-CD2 4.26Å; L12-F104 HydrophobicContact CD2-CE2 3.72Å; L12-F104 HydrophobicContact CD2-CZ 4.02Å; L12-F104 HydrophobicContact CG-CE2 4.36Å; L12-F104 WeakPolarHBondContact O-CZ 3.44Å; M15-F104 HydrophobicContact CB-CE1 4.03Å; Y19-F104 HydrophobicContact CE2-CD1 4.29Å; R99-F104 HydrophobicContact CB-CE2 4.32Å; D100-F104 VanDerWaalsContact O-CD2 3.3Å; D100-F104 WeakPolarHBondContact O-CD2 3.47Å; D100-F104 PolarHBondContact O-N 3.01Å; D100-F104 VanDerWaalsContact O-N 3.11Å; S101-F104 PolarHBondContact O-N 2.74Å; F104-L107 HydrophobicContact CD1-CD1 4.24Å; F104-L107 HydrophobicContact CE1-CD1 4.49Å; F104-L107 PolarHBondContact O-N 3Å; F104-W108 VanDerWaalsContact O-CB 3.3Å; F104-W108 WeakPolarHBondContact O-CB 3.43Å; F104-W108 PolarHBondContact O-N 2.85Å; F104-C137 HydrophobicContact CB-CB 3.96Å; F104-C137 HydrophobicContact CD1-CB 3.65Å; F104-C137 HydrophobicContact CD2-CB 4.3Å; F104-C137 HydrophobicContact CE1-CB 4.23Å; F104-C137 HydrophobicContact CG-CB 3.7Å; F104-V138 HydrophobicContact CB-CG2 4.33Å; F104-A141 HydrophobicContact CD2-CB 3.79Å; F104-A141 HydrophobicContact CE2-CB 4.26Å
105F96.5Very high93.9Very high98 Ų9831.5 Ų31.543%0.4317%0.167SC..Hα-helixtrans-65-44.8173.7176.6-99.7000111.2S101 L102 V103 W108 A109 V138S101-F105 WeakPolarHBondContact O-CB 3.38Å; S101-F105 PolarHBondContact O-N 3.37Å; L102-F105 WeakPolarHBondContact O-CB 3.42Å; L102-F105 PolarHBondContact O-N 3.11Å; V103-F105 VanDerWaalsContact C-N 3.31Å; V103-F105 PolarHBondContact O-N 3.24Å; F105-W108 HydrophobicContact CD2-CE3 4.26Å; F105-W108 HydrophobicContact CE2-CE3 4.17Å; F105-W108 HydrophobicContact CE2-CZ3 4.08Å; F105-W108 PolarHBondContact O-N 3.26Å; F105-A109 WeakPolarHBondContact O-CB 3.36Å; F105-A109 PolarHBondContact O-N 2.71Å; F105-V138 HydrophobicContact CB-CG1 4.13Å; F105-V138 HydrophobicContact CB-CG2 3.93Å; F105-V138 HydrophobicContact CD2-CG2 4.48Å
106C97.1Very high94Very high58 Ų5830.6 Ų30.639%0.39216%0.16SC..Hα-helixtrans-60-47.9173.8-70.20000111.4L88 L102 V103 W108 A109 L110L88-C106 HydrophobicContact CD1-CB 4.31Å; L102-C106 PolarHBondContact O-N 2.96Å; L102-C106 PolarHBondContact O-SG 3.29Å; V103-C106 PolarHBondContact O-N 3.22Å; C106-W108 VanDerWaalsContact C-N 3.33Å; C106-W108 PolarHBondContact O-N 3.23Å; C106-A109 PolarHBondContact O-N 3.48Å; C106-L110 WeakPolarHBondContact O-CB 3.43Å; C106-L110 WeakPolarHBondContact O-CG 3.39Å; C106-L110 PolarHBondContact O-N 2.76Å
107L98Very high94.3Very high0 Ų026.2 Ų26.20%014%0.14CC..Hα-helixtrans-58.2-45.1177-70173.3000111.8Y19 F23 G85 L88 V103 F104 Y111Y19-L107 HydrophobicContact CD1-CB 4.26Å; Y19-L107 HydrophobicContact CD2-CB 4.26Å; Y19-L107 HydrophobicContact CD2-CD1 4.06Å; Y19-L107 HydrophobicContact CE1-CB 4.21Å; Y19-L107 HydrophobicContact CE2-CB 4.19Å; Y19-L107 HydrophobicContact CG-CB 4.27Å; Y19-L107 HydrophobicContact CG-CD1 4.28Å; F23-L107 HydrophobicContact CE2-CD2 3.91Å; G85-L107 VanDerWaalsContact O-CD2 3.26Å; G85-L107 WeakPolarHBondContact O-CD2 3.29Å; L88-L107 HydrophobicContact CB-CD2 3.86Å; V103-L107 HydrophobicContact CG1-CD1 4.27Å; V103-L107 VanDerWaalsContact O-CG 3.31Å; V103-L107 WeakPolarHBondContact O-CG 3.46Å; V103-L107 PolarHBondContact O-N 2.93Å; F104-L107 HydrophobicContact CD1-CD1 4.24Å; F104-L107 HydrophobicContact CE1-CD1 4.49Å; F104-L107 PolarHBondContact O-N 3Å; L107-Y111 WeakPolarHBondContact O-CB 3.27Å; L107-Y111 PolarHBondContact O-N 2.59Å
108W97.9Very high94.5Very high15 Ų1522.6 Ų22.66%0.05712%0.117CC..Hα-helixtrans-62.4-47.4176.6174.982000111.9Y19 F104 F105 C106 L110 Y111 L112 L131 F135 Y437 L439Y19-W108 WeakPolarHBondContact OH-CA 3.43Å; F104-W108 VanDerWaalsContact O-CB 3.3Å; F104-W108 WeakPolarHBondContact O-CB 3.43Å; F104-W108 PolarHBondContact O-N 2.85Å; F105-W108 HydrophobicContact CD2-CE3 4.26Å; F105-W108 HydrophobicContact CE2-CE3 4.17Å; F105-W108 HydrophobicContact CE2-CZ3 4.08Å; F105-W108 PolarHBondContact O-N 3.26Å; C106-W108 VanDerWaalsContact C-N 3.33Å; C106-W108 PolarHBondContact O-N 3.23Å; W108-L110 PolarHBondContact O-N 2.91Å; W108-Y111 PolarHBondContact O-N 2.66Å; W108-L112 HydrophobicContact CH2-CD2 3.64Å; W108-L112 HydrophobicContact CZ2-CD2 3.79Å; W108-L112 HydrophobicContact CZ3-CD2 4.18Å; W108-L112 WeakPolarHBondContact O-CB 3.44Å; W108-L112 PolarHBondContact O-N 2.95Å; W108-L131 PolarHBondContact NE1-O 3.35Å; W108-L131 VanDerWaalsContact NE1-O 3.12Å; W108-F135 HydrophobicContact CD2-CD2 4.33Å; W108-F135 HydrophobicContact CH2-CD2 4.41Å; W108-F135 HydrophobicContact CZ2-CD2 4.1Å; W108-Y437 HydrophobicContact CH2-CD1 4.25Å; W108-Y437 WeakPolarHBondContact CZ2-O 3.47Å; W108-L439 HydrophobicContact CH2-CD2 4.14Å; W108-L439 HydrophobicContact CZ2-CD2 3.55Å
109A97.1Very high94.6Very high20 Ų2022.1 Ų22.117%0.16511%0.113CC..Hα-helixtrans-64.8-39.3179.900000112.5F105 C106 S113F105-A109 WeakPolarHBondContact O-CB 3.36Å; F105-A109 PolarHBondContact O-N 2.71Å; C106-A109 PolarHBondContact O-N 3.48Å; A109-S113 WeakPolarHBondContact O-CB 3.25Å; A109-S113 PolarHBondContact O-N 2.91Å; A109-S113 PolarHBondContact O-OG 3.15Å
110L97.4Very high94.6Very high13 Ų1323.3 Ų23.37%0.06812%0.124CC..Hα-helixtrans-61.9-44.5174.1-71.1172.6000111.1F23 L63 L81 T84 L88 C106 W108 S113 M114F23-L110 HydrophobicContact CE1-CB 4.12Å; F23-L110 HydrophobicContact CZ-CB 3.78Å; L63-L110 HydrophobicContact CD1-CD2 3.98Å; L81-L110 HydrophobicContact CB-CD2 4.12Å; L81-L110 HydrophobicContact CD2-CD2 3.57Å; L81-L110 HydrophobicContact CG-CD2 4.32Å; T84-L110 HydrophobicContact CG2-CD1 4.15Å; L88-L110 HydrophobicContact CD1-CD1 4.16Å; C106-L110 WeakPolarHBondContact O-CB 3.43Å; C106-L110 WeakPolarHBondContact O-CG 3.39Å; C106-L110 PolarHBondContact O-N 2.76Å; W108-L110 PolarHBondContact O-N 2.91Å; L110-S113 WeakPolarHBondContact O-CB 3.44Å; L110-S113 PolarHBondContact O-N 2.56Å; L110-M114 WeakPolarHBondContact O-CG 2.8Å; L110-M114 PolarHBondContact O-N 3.24Å
111Y97.5Very high94.8Very high0 Ų023.2 Ų23.20%012%0.124CC..Hα-helixtrans-70.5-42.2179.7-161.5-93.3000112.3Y19 A22 F23 L107 W108 S113 M114 Y115 D127 L130 L131Y19-Y111 HydrophobicContact CE1-CG 4.47Å; A22-Y111 HydrophobicContact CB-CE2 3.92Å; F23-Y111 HydrophobicContact CD1-CD2 4.34Å; F23-Y111 AromaticContact CE1-CD2 3.9Å; F23-Y111 HydrophobicContact CE1-CD2 3.9Å; F23-Y111 HydrophobicContact CZ-CD2 4Å; F23-Y111 HydrophobicContact CZ-CG 4.44Å; L107-Y111 WeakPolarHBondContact O-CB 3.27Å; L107-Y111 PolarHBondContact O-N 2.59Å; W108-Y111 PolarHBondContact O-N 2.66Å; Y111-S113 VanDerWaalsContact C-N 3.26Å; Y111-S113 PolarHBondContact O-N 3.05Å; Y111-M114 WeakPolarHBondContact O-CB 3.49Å; Y111-M114 PolarHBondContact O-N 3.31Å; Y111-M114 VanDerWaalsContact O-N 3.15Å; Y111-Y115 PolarHBondContact O-N 3.05Å; Y111-D127 HydrophobicContact CE1-CB 4.27Å; Y111-D127 PolarHBondContact OH-OD1 3.06Å; Y111-L130 HydrophobicContact CD1-CD2 4.24Å; Y111-L130 HydrophobicContact CD2-CD2 4.12Å; Y111-L130 HydrophobicContact CE1-CD2 3.88Å; Y111-L130 HydrophobicContact CE1-CG 4.44Å; Y111-L130 HydrophobicContact CE2-CD2 3.74Å; Y111-L130 HydrophobicContact CG-CD2 4.35Å; Y111-L131 HydrophobicContact CD1-CD2 3.74Å; Y111-L131 HydrophobicContact CD1-CG 3.9Å; Y111-L131 HydrophobicContact CE1-CG 4.35Å
112L96.6Very high94.8Very high5 Ų523 Ų233%0.02612%0.122CC..Hα-helixtrans-57.7-41.7174.4-17767.5000111.1P61 W108 M114 Y115 Q116 L131 Y437 Q438P61-L112 HydrophobicContact CB-CD2 4.24Å; P61-L112 HydrophobicContact CG-CD2 4.2Å; W108-L112 HydrophobicContact CH2-CD2 3.64Å; W108-L112 HydrophobicContact CZ2-CD2 3.79Å; W108-L112 HydrophobicContact CZ3-CD2 4.18Å; W108-L112 WeakPolarHBondContact O-CB 3.44Å; W108-L112 PolarHBondContact O-N 2.95Å; L112-M114 VanDerWaalsContact C-N 3.25Å; L112-M114 PolarHBondContact O-N 3.28Å; L112-Y115 WeakPolarHBondContact O-CB 3.42Å; L112-Y115 PolarHBondContact O-N 3.06Å; L112-Y115 VanDerWaalsContact O-N 3.14Å; L112-Q116 WeakPolarHBondContact O-CG 3.38Å; L112-Q116 PolarHBondContact O-N 3.42Å; L112-L131 HydrophobicContact CB-CD2 3.88Å; L112-L131 HydrophobicContact CD1-CD1 4.12Å; L112-L131 HydrophobicContact CD1-CD2 4.12Å; L112-Y437 HydrophobicContact CD2-CD1 4.09Å; L112-Q438 HydrophobicContact CD1-CG 4.45Å
113S95.7Very high94.5Very high3 Ų327 Ų272%0.02113%0.133CC..Hα-helixtrans-58.2-39178.4-62.60000112.8T62 L63 A109 L110 Y111T62-S113 WeakPolarHBondContact OG1-CA 3.5Å; T62-S113 WeakPolarHBondContact OG1-CB 3.29Å; T62-S113 PolarHBondContact OG1-O 2.77Å; L63-S113 WeakPolarHBondContact CB-OG 3.25Å; L63-S113 VanDerWaalsContact CG-OG 3.3Å; L63-S113 WeakPolarHBondContact CG-OG 3.26Å; L63-S113 PolarHBondContact N-OG 3.4Å; A109-S113 WeakPolarHBondContact O-CB 3.25Å; A109-S113 PolarHBondContact O-N 2.91Å; A109-S113 PolarHBondContact O-OG 3.15Å; L110-S113 WeakPolarHBondContact O-CB 3.44Å; L110-S113 PolarHBondContact O-N 2.56Å; Y111-S113 VanDerWaalsContact C-N 3.26Å; Y111-S113 PolarHBondContact O-N 3.05Å
114M94.9Very high94.3Very high0 Ų026.9 Ų26.90%013%0.132CC..Hα-helixtrans-72.8-43.8175.8-65-64.1-66.100111.2L26 I30 M78 L81 L110 Y111 L112 Q116 V117 G118 L122L26-M114 HydrophobicContact CD2-CB 4.02Å; L26-M114 HydrophobicContact CD2-CE 3.64Å; L26-M114 HydrophobicContact CD2-CG 4.24Å; L26-M114 HydrophobicContact CG-CE 4.2Å; I30-M114 HydrophobicContact CD1-CE 3.84Å; I30-M114 HydrophobicContact CG1-CE 4.26Å; M78-M114 HydrophobicContact CB-CE 3.85Å; M78-M114 HydrophobicContact CB-SD 3.86Å; M78-M114 HydrophobicContact CE-CE 3.2Å; M78-M114 HydrophobicContact CE-SD 3.87Å; M78-M114 HydrophobicContact CG-CE 4Å; M78-M114 HydrophobicContact CG-SD 3.75Å; M78-M114 HydrophobicContact SD-CE 4.39Å; L81-M114 HydrophobicContact CD1-SD 4.49Å; L110-M114 WeakPolarHBondContact O-CG 2.8Å; L110-M114 PolarHBondContact O-N 3.24Å; Y111-M114 WeakPolarHBondContact O-CB 3.49Å; Y111-M114 PolarHBondContact O-N 3.31Å; Y111-M114 VanDerWaalsContact O-N 3.15Å; L112-M114 VanDerWaalsContact C-N 3.25Å; L112-M114 PolarHBondContact O-N 3.28Å; M114-Q116 VanDerWaalsContact C-N 3.33Å; M114-Q116 PolarHBondContact O-N 3.28Å; M114-V117 PolarHBondContact O-N 2.83Å; M114-G118 WeakPolarHBondContact O-CA 3.46Å; M114-G118 PolarHBondContact O-N 3.35Å; M114-L122 HydrophobicContact CB-CD1 4.24Å; M114-L122 WeakPolarHBondContact O-CD1 3.48Å
115Y95.1Very high94Very high14 Ų1429.5 Ų29.56%0.05514%0.144CC..Hα-helixtrans-56-44.2179.1-178.8-92.3000112.4Y111 L112 V117 G118 L122 Y123 D127 N128 L131 Q438Y111-Y115 PolarHBondContact O-N 3.05Å; L112-Y115 WeakPolarHBondContact O-CB 3.42Å; L112-Y115 PolarHBondContact O-N 3.06Å; L112-Y115 VanDerWaalsContact O-N 3.14Å; Y115-V117 PolarHBondContact O-N 3.11Å; Y115-G118 PolarHBondContact O-N 3.01Å; Y115-L122 WeakPolarHBondContact CD2-O 3.46Å; Y115-L122 WeakPolarHBondContact CE2-O 3.43Å; Y115-Y123 HydrophobicContact CE1-CD2 4.25Å; Y115-Y123 HydrophobicContact CE1-CE2 4.44Å; Y115-Y123 HydrophobicContact CE2-CD2 4.18Å; Y115-Y123 AromaticContact CZ-CD2 3.57Å; Y115-Y123 AromaticContact CZ-CE2 3.91Å; Y115-Y123 WeakPolarHBondContact OH-CD2 3.25Å; Y115-Y123 WeakPolarHBondContact OH-CE2 3.4Å; Y115-D127 HydrophobicContact CD2-CB 4.19Å; Y115-D127 HydrophobicContact CE2-CB 4.19Å; Y115-N128 VanDerWaalsContact CE2-OD1 3.3Å; Y115-N128 WeakPolarHBondContact CE2-OD1 3.27Å; Y115-N128 PolarHBondContact OH-OD1 3.15Å; Y115-L131 HydrophobicContact CD1-CD1 3.88Å; Y115-L131 HydrophobicContact CD2-CD1 3.76Å; Y115-L131 HydrophobicContact CE1-CD1 4.24Å; Y115-L131 HydrophobicContact CE2-CD1 4.12Å; Y115-L131 HydrophobicContact CG-CD1 3.61Å; Y115-Q438 HydrophobicContact CD1-CG 4.11Å; Y115-Q438 HydrophobicContact CE1-CG 3.5Å; Y115-Q438 PolarHBondContact OH-OE1 2.9Å
116Q92.3Very high93.9Very high60 Ų6025.4 Ų25.428%0.2813%0.126SC..Hα-helixtrans-59.8-32.1-180-67.1-56.8-16.600114P61 L112 M114 R436P61-Q116 HydrophobicContact CG-CG 4.2Å; P61-Q116 WeakPolarHBondContact O-CG 3.28Å; L112-Q116 WeakPolarHBondContact O-CG 3.38Å; L112-Q116 PolarHBondContact O-N 3.42Å; M114-Q116 VanDerWaalsContact C-N 3.33Å; M114-Q116 PolarHBondContact O-N 3.28Å; Q116-R436 PolarHBondContact NE2-O 3.33Å
117V91.6Very high93.8Very high3 Ų322.6 Ų22.62%0.01811%0.107CC..Hα-helixtrans-101.7-11.2-176.1178.20000111.8A42 Q45 L46 T62 L64 M114 Y115 Q119A42-V117 HydrophobicContact CB-CG1 3.42Å; A42-V117 VanDerWaalsContact CB-CG1 3.42Å; A42-V117 WeakPolarHBondContact O-CG1 3.44Å; Q45-V117 HydrophobicContact CB-CG1 4.2Å; L46-V117 HydrophobicContact CD1-CG2 4.33Å; L46-V117 HydrophobicContact CD2-CG2 3.86Å; L46-V117 HydrophobicContact CG-CG1 4.48Å; L46-V117 HydrophobicContact CG-CG2 4.03Å; T62-V117 HydrophobicContact CG2-CG2 4.3Å; L64-V117 HydrophobicContact CD1-CB 3.97Å; L64-V117 HydrophobicContact CD1-CG1 4.25Å; L64-V117 HydrophobicContact CD1-CG2 3.76Å; M114-V117 PolarHBondContact O-N 2.83Å; Y115-V117 PolarHBondContact O-N 3.11Å; V117-Q119 VanDerWaalsContact C-N 3.32Å; V117-Q119 PolarHBondContact O-N 3.45Å
118G89.1Confident93.6Very high0 Ų023.3 Ų23.30%011%0.111CC..  trans-80-0.2-168.800000116.9Y34 M114 Y115 F121 L122Y34-G118 WeakPolarHBondContact CE1-O 3.23Å; Y34-G118 WeakPolarHBondContact OH-CA 3.35Å; Y34-G118 PolarHBondContact OH-O 3.45Å; M114-G118 WeakPolarHBondContact O-CA 3.46Å; M114-G118 PolarHBondContact O-N 3.35Å; Y115-G118 PolarHBondContact O-N 3.01Å; G118-F121 PolarHBondContact O-N 3.18Å; G118-L122 PolarHBondContact O-N 3.2Å
119Q91.1Very high93.6Very high46 Ų4622.6 Ų22.622%0.21511%0.108CC..Hα-helixtrans47.8-143.9171.8-55.5178.128.900113Q45 V117 F121 L122 Y123Q45-Q119 HydrophobicContact CG-CG 3.9Å; Q45-Q119 VanDerWaalsContact CG-NE2 3.31Å; Q45-Q119 VanDerWaalsContact NE2-CD 3.31Å; Q45-Q119 VanDerWaalsContact NE2-NE2 3.13Å; V117-Q119 VanDerWaalsContact C-N 3.32Å; V117-Q119 PolarHBondContact O-N 3.45Å; Q119-F121 PolarHBondContact O-N 2.93Å; Q119-F121 VanDerWaalsContact O-N 3.14Å; Q119-L122 PolarHBondContact O-N 3.22Å; Q119-Y123 PolarHBondContact O-N 3.05Å
120V92.3Very high93.6Very high62 Ų6221.6 Ų21.638%0.37610%0.1SC..Hα-helixtrans-59.5-25.2-178.5-61.30000113.5L40 Q498 W512L40-V120 HydrophobicContact CD1-CG2 3.82Å; V120-Q498 PolarHBondContact O-NE2 3.39Å; V120-W512 HydrophobicContact CG2-CG 4.35Å
121F94.5Very high93.6Very high0 Ų021 Ų210%010%0.097CC..Hα-helixtrans-83-9.9-176.9-68-67.1000113.4L33 Y34 L39 L40 G118 Q119 F124 R494 L495 Q498 W512L33-F121 HydrophobicContact CD1-CB 4.31Å; L33-F121 HydrophobicContact CD1-CG 4.38Å; L33-F121 HydrophobicContact CD2-CD1 3.83Å; L33-F121 HydrophobicContact CD2-CD2 3.98Å; L33-F121 HydrophobicContact CD2-CE1 3.82Å; L33-F121 HydrophobicContact CD2-CE2 3.95Å; L33-F121 HydrophobicContact CD2-CG 3.93Å; L33-F121 HydrophobicContact CD2-CZ 3.88Å; Y34-F121 HydrophobicContact CE1-CB 4.25Å; Y34-F121 HydrophobicContact CE1-CD2 4.38Å; Y34-F121 WeakPolarHBondContact OH-CB 3.45Å; L39-F121 HydrophobicContact CB-CE2 4.28Å; L39-F121 HydrophobicContact CD1-CE2 4.25Å; L39-F121 HydrophobicContact CD1-CZ 3.75Å; L40-F121 HydrophobicContact CD1-CD2 4.11Å; L40-F121 HydrophobicContact CD1-CE2 3.76Å; L40-F121 HydrophobicContact CG-CE2 4.2Å; G118-F121 PolarHBondContact O-N 3.18Å; Q119-F121 PolarHBondContact O-N 2.93Å; Q119-F121 VanDerWaalsContact O-N 3.14Å; F121-F124 VanDerWaalsContact O-CE2 3.23Å; F121-F124 WeakPolarHBondContact O-CE2 3.3Å; F121-R494 HydrophobicContact CB-CB 4.44Å; F121-R494 HydrophobicContact CD1-CB 4.21Å; F121-R494 WeakPolarHBondContact O-CD 3.32Å; F121-R494 PolarHBondContact O-NH1 3.45Å; F121-L495 HydrophobicContact CE1-CD1 4.24Å; F121-L495 HydrophobicContact CZ-CD1 4.45Å; F121-Q498 HydrophobicContact CD1-CB 4.24Å; F121-Q498 HydrophobicContact CD1-CG 3.52Å; F121-Q498 HydrophobicContact CE1-CB 3.81Å; F121-Q498 HydrophobicContact CE1-CG 3.57Å; F121-W512 HydrophobicContact CE1-CE3 4.5Å; F121-W512 HydrophobicContact CE2-CB 4.39Å; F121-W512 HydrophobicContact CZ-CB 4.29Å; F121-W512 HydrophobicContact CZ-CD2 4.04Å; F121-W512 AromaticContact CZ-CE3 3.96Å; F121-W512 HydrophobicContact CZ-CE3 3.96Å; F121-W512 HydrophobicContact CZ-CG 4.18Å
122L91.3Very high93.6Very high1 Ų121 Ų211%0.00510%0.097CC..Hα-helixtrans-125.15.3-179.5-97.9167.2000114.5L26 Y34 M114 Y115 G118 Q119 F124 D127 R494L26-L122 HydrophobicContact CD1-CD1 3.98Å; L26-L122 HydrophobicContact CD1-CD2 4.41Å; L26-L122 HydrophobicContact CD1-CG 4.27Å; L26-L122 HydrophobicContact CD2-CD1 4Å; L26-L122 HydrophobicContact CD2-CD2 4.31Å; Y34-L122 HydrophobicContact CE2-CD1 4.23Å; Y34-L122 WeakPolarHBondContact OH-CD1 3.47Å; Y34-L122 WeakPolarHBondContact OH-CG 3.44Å; M114-L122 HydrophobicContact CB-CD1 4.24Å; M114-L122 WeakPolarHBondContact O-CD1 3.48Å; Y115-L122 WeakPolarHBondContact CD2-O 3.46Å; Y115-L122 WeakPolarHBondContact CE2-O 3.43Å; G118-L122 PolarHBondContact O-N 3.2Å; Q119-L122 PolarHBondContact O-N 3.22Å; L122-F124 PolarHBondContact O-N 3.03Å; L122-D127 WeakPolarHBondContact O-CB 3.47Å; L122-D127 VanDerWaalsContact O-OD2 3.12Å; L122-R494 VanDerWaalsContact CD2-CZ 3.44Å
123Y86.8Confident93.6Very high154 Ų15420.8 Ų20.860%0.60410%0.096SC*.  trans-9944.3-177.7-163.1-104000112.7Y115 Q119Y115-Y123 HydrophobicContact CE1-CD2 4.25Å; Y115-Y123 HydrophobicContact CE1-CE2 4.44Å; Y115-Y123 HydrophobicContact CE2-CD2 4.18Å; Y115-Y123 AromaticContact CZ-CD2 3.57Å; Y115-Y123 AromaticContact CZ-CE2 3.91Å; Y115-Y123 WeakPolarHBondContact OH-CD2 3.25Å; Y115-Y123 WeakPolarHBondContact OH-CE2 3.4Å; Q119-Y123 PolarHBondContact O-N 3.05Å
124F91.2Very high93.7Very high13 Ų1320.7 Ų20.76%0.05710%0.095CC..SBendtrans-99.8157.6-179.9-60.9-77.8000112.2F121 L122 W126 D127 N128 R494 W497 Q498 F501F121-F124 VanDerWaalsContact O-CE2 3.23Å; F121-F124 WeakPolarHBondContact O-CE2 3.3Å; L122-F124 PolarHBondContact O-N 3.03Å; F124-W126 HydrophobicContact CB-CD2 3.69Å; F124-W126 HydrophobicContact CB-CE3 4.2Å; F124-W126 HydrophobicContact CB-CG 4.28Å; F124-W126 HydrophobicContact CB-CH2 3.72Å; F124-W126 HydrophobicContact CB-CZ2 3.13Å; F124-W126 HydrophobicContact CB-CZ3 4.22Å; F124-W126 AromaticContact CD1-CH2 3.54Å; F124-W126 HydrophobicContact CD1-CH2 3.54Å; F124-W126 AromaticContact CD1-CZ2 3.41Å; F124-W126 HydrophobicContact CD1-CZ2 3.41Å; F124-W126 VanDerWaalsContact CD1-CZ2 3.41Å; F124-W126 AromaticContact CD2-CE2 3.85Å; F124-W126 HydrophobicContact CD2-CH2 4.37Å; F124-W126 AromaticContact CD2-CZ2 3.4Å; F124-W126 HydrophobicContact CD2-CZ2 3.4Å; F124-W126 VanDerWaalsContact CD2-CZ2 3.4Å; F124-W126 AromaticContact CD2-NE1 3.85Å; F124-W126 HydrophobicContact CE1-CH2 4.15Å; F124-W126 HydrophobicContact CE1-CZ2 4.03Å; F124-W126 AromaticContact CE2-CZ2 4Å; F124-W126 HydrophobicContact CE2-CZ2 4Å; F124-W126 AromaticContact CG-CE2 3.56Å; F124-W126 AromaticContact CG-CH2 3.66Å; F124-W126 HydrophobicContact CG-CH2 3.66Å; F124-W126 AromaticContact CG-CZ2 3.04Å; F124-W126 HydrophobicContact CG-CZ2 3.04Å; F124-W126 AromaticContact CG-NE1 3.92Å; F124-W126 HydrophobicContact CZ-CZ2 4.27Å; F124-W126 PolarHBondContact O-N 2.91Å; F124-W126 VanDerWaalsContact O-N 3.11Å; F124-D127 WeakPolarHBondContact CD2-OD2 3.04Å; F124-D127 PolarHBondContact N-OD2 3.48Å; F124-D127 WeakPolarHBondContact O-CB 3.29Å; F124-D127 PolarHBondContact O-N 3.25Å; F124-N128 PolarHBondContact O-N 3.1Å; F124-N128 VanDerWaalsContact O-N 3.12Å; F124-N128 PolarHBondContact O-OD1 2.59Å; F124-R494 HydrophobicContact CE2-CG 4.45Å; F124-W497 HydrophobicContact CZ-CB 4.23Å; F124-Q498 HydrophobicContact CZ-CG 4.04Å; F124-F501 HydrophobicContact CD1-CE2 4.21Å; F124-F501 HydrophobicContact CE1-CD2 4.15Å; F124-F501 AromaticContact CE1-CE2 3.64Å; F124-F501 HydrophobicContact CE1-CE2 3.64Å
125Q91.2Very high93.8Very high55 Ų5522.6 Ų22.626%0.25710%0.103SC..Hα-helixtrans-60.2-28.3-175.3-66-166.5-66.400114.1L129 L445Q125-L129 WeakPolarHBondContact O-CB 3.44Å; Q125-L129 PolarHBondContact O-N 3.37Å; Q125-L445 HydrophobicContact CB-CD2 4.31Å; Q125-L445 VanDerWaalsContact OE1-CG 3.23Å
126W92.6Very high93.8Very high11 Ų1122.1 Ų22.14%0.04210%0.102CC..Hα-helixtrans-75.5-30.8174.95276000113.3F124 N128 L129 L130 N264 F265 F266 Q492 W497F124-W126 HydrophobicContact CB-CD2 3.69Å; F124-W126 HydrophobicContact CB-CE3 4.2Å; F124-W126 HydrophobicContact CB-CG 4.28Å; F124-W126 HydrophobicContact CB-CH2 3.72Å; F124-W126 HydrophobicContact CB-CZ2 3.13Å; F124-W126 HydrophobicContact CB-CZ3 4.22Å; F124-W126 AromaticContact CD1-CH2 3.54Å; F124-W126 HydrophobicContact CD1-CH2 3.54Å; F124-W126 AromaticContact CD1-CZ2 3.41Å; F124-W126 HydrophobicContact CD1-CZ2 3.41Å; F124-W126 VanDerWaalsContact CD1-CZ2 3.41Å; F124-W126 AromaticContact CD2-CE2 3.85Å; F124-W126 HydrophobicContact CD2-CH2 4.37Å; F124-W126 AromaticContact CD2-CZ2 3.4Å; F124-W126 HydrophobicContact CD2-CZ2 3.4Å; F124-W126 VanDerWaalsContact CD2-CZ2 3.4Å; F124-W126 AromaticContact CD2-NE1 3.85Å; F124-W126 HydrophobicContact CE1-CH2 4.15Å; F124-W126 HydrophobicContact CE1-CZ2 4.03Å; F124-W126 AromaticContact CE2-CZ2 4Å; F124-W126 HydrophobicContact CE2-CZ2 4Å; F124-W126 AromaticContact CG-CE2 3.56Å; F124-W126 AromaticContact CG-CH2 3.66Å; F124-W126 HydrophobicContact CG-CH2 3.66Å; F124-W126 AromaticContact CG-CZ2 3.04Å; F124-W126 HydrophobicContact CG-CZ2 3.04Å; F124-W126 AromaticContact CG-NE1 3.92Å; F124-W126 HydrophobicContact CZ-CZ2 4.27Å; F124-W126 PolarHBondContact O-N 2.91Å; F124-W126 VanDerWaalsContact O-N 3.11Å; W126-N128 VanDerWaalsContact C-N 3.34Å; W126-L129 PolarHBondContact O-N 2.89Å; W126-L130 WeakPolarHBondContact O-CB 3.26Å; W126-L130 PolarHBondContact O-N 2.95Å; W126-N264 PolarHBondContact NE1-ND2 3.23Å; W126-N264 VanDerWaalsContact NE1-ND2 3.13Å; W126-F265 HydrophobicContact CB-CE2 4.09Å; W126-F265 AromaticContact CD1-CZ 3.65Å; W126-F265 HydrophobicContact CG-CE2 4.43Å; W126-F265 HydrophobicContact CG-CZ 4.42Å; W126-F266 HydrophobicContact CB-CB 3.85Å; W126-F266 HydrophobicContact CB-CD2 3.9Å; W126-F266 HydrophobicContact CB-CG 4.31Å; W126-Q492 HydrophobicContact CZ2-CG 4.24Å; W126-W497 AromaticContact CH2-CD2 3.76Å; W126-W497 HydrophobicContact CH2-CD2 3.76Å; W126-W497 AromaticContact CH2-CE3 3.47Å; W126-W497 HydrophobicContact CH2-CE3 3.47Å; W126-W497 VanDerWaalsContact CH2-CE3 3.47Å; W126-W497 AromaticContact CH2-CH2 3.8Å; W126-W497 HydrophobicContact CH2-CH2 3.8Å; W126-W497 HydrophobicContact CH2-CZ2 4.1Å; W126-W497 AromaticContact CH2-CZ3 3.49Å; W126-W497 HydrophobicContact CH2-CZ3 3.49Å; W126-W497 VanDerWaalsContact CH2-CZ3 3.49Å; W126-W497 HydrophobicContact CZ2-CD2 4.4Å; W126-W497 HydrophobicContact CZ2-CE3 4.46Å; W126-W497 HydrophobicContact CZ3-CE3 4.12Å; W126-W497 AromaticContact CZ3-CH2 3.64Å; W126-W497 HydrophobicContact CZ3-CH2 3.64Å; W126-W497 HydrophobicContact CZ3-CZ2 4.17Å; W126-W497 AromaticContact CZ3-CZ3 3.63Å; W126-W497 HydrophobicContact CZ3-CZ3 3.63Å
127D95.8Very high94Very high0 Ų019.3 Ų19.30%09%0.088CC..Hα-helixtrans-68.7-40.3174.2-57.9-46.6000108.6Y111 Y115 L122 F124 L130 L131 R494Y111-D127 HydrophobicContact CE1-CB 4.27Å; Y111-D127 PolarHBondContact OH-OD1 3.06Å; Y115-D127 HydrophobicContact CD2-CB 4.19Å; Y115-D127 HydrophobicContact CE2-CB 4.19Å; L122-D127 WeakPolarHBondContact O-CB 3.47Å; L122-D127 VanDerWaalsContact O-OD2 3.12Å; F124-D127 WeakPolarHBondContact CD2-OD2 3.04Å; F124-D127 PolarHBondContact N-OD2 3.48Å; F124-D127 WeakPolarHBondContact O-CB 3.29Å; F124-D127 PolarHBondContact O-N 3.25Å; D127-L130 PolarHBondContact O-N 3.43Å; D127-L131 PolarHBondContact O-N 2.84Å; D127-R494 IonicContact OD1-CZ 3.83Å; D127-R494 IonicContact OD1-NH1 3.78Å; D127-R494 PolarHBondContact OD1-NH1 3.32Å; D127-R494 IonicContact OD1-NH2 2.85Å; D127-R494 PolarHBondContact OD1-NH2 3.35Å; D127-R494 IonicContact OD2-CZ 2.86Å; D127-R494 IonicContact OD2-NH1 3.29Å; D127-R494 PolarHBondContact OD2-NH1 3.41Å; D127-R494 IonicContact OD2-NH2 3.84Å
128N94.9Very high94.2Very high14 Ų1420.3 Ų20.38%0.0759%0.094CC..Hα-helixtrans-63.2-45174-58.86.2000111.9Y115 F124 W126 L130 L131 E132 N441Y115-N128 VanDerWaalsContact CE2-OD1 3.3Å; Y115-N128 WeakPolarHBondContact CE2-OD1 3.27Å; Y115-N128 PolarHBondContact OH-OD1 3.15Å; F124-N128 PolarHBondContact O-N 3.1Å; F124-N128 VanDerWaalsContact O-N 3.12Å; F124-N128 PolarHBondContact O-OD1 2.59Å; W126-N128 VanDerWaalsContact C-N 3.34Å; N128-L130 VanDerWaalsContact C-N 3.32Å; N128-L130 PolarHBondContact O-N 3.38Å; N128-L131 PolarHBondContact O-N 3.12Å; N128-E132 PolarHBondContact O-N 3.46Å; N128-N441 HydrophobicContact CB-CB 4.14Å; N128-N441 PolarHBondContact O-ND2 3.44Å
129L96.5Very high94.3Very high0 Ų021.4 Ų21.40%010%0.1CC..Hα-helixtrans-64-38.3177.4-175.362.6000111.7Q125 W126 T133 L166 L170 F266 L269 L273 Y443Q125-L129 WeakPolarHBondContact O-CB 3.44Å; Q125-L129 PolarHBondContact O-N 3.37Å; W126-L129 PolarHBondContact O-N 2.89Å; L129-T133 VanDerWaalsContact O-CB 3.24Å; L129-T133 WeakPolarHBondContact O-CB 3.37Å; L129-T133 PolarHBondContact O-N 3.12Å; L129-T133 PolarHBondContact O-OG1 2.79Å; L129-L166 HydrophobicContact CD1-CD1 4.06Å; L129-L166 HydrophobicContact CD1-CD2 4.15Å; L129-L166 HydrophobicContact CD1-CG 4.3Å; L129-L170 HydrophobicContact CD1-CD2 4.27Å; L129-L170 HydrophobicContact CD2-CD2 3.79Å; L129-F266 HydrophobicContact CD2-CD2 3.93Å; L129-F266 HydrophobicContact CD2-CE2 3.56Å; L129-F266 HydrophobicContact CD2-CZ 4.45Å; L129-L269 HydrophobicContact CB-CD1 4.3Å; L129-L269 HydrophobicContact CD2-CB 3.92Å; L129-L269 HydrophobicContact CD2-CD1 4.12Å; L129-L269 HydrophobicContact CG-CD1 4.15Å; L129-L273 HydrophobicContact CD1-CD1 4.13Å; L129-L273 HydrophobicContact CD2-CD1 4.4Å; L129-Y443 HydrophobicContact CB-CE1 3.97Å; L129-Y443 HydrophobicContact CD1-CE1 3.84Å; L129-Y443 WeakPolarHBondContact CD1-OH 3.46Å; L129-Y443 HydrophobicContact CG-CE1 4.45Å
130L97.4Very high94.4Very high0 Ų019.3 Ų19.30%09%0.09CC..Hα-helixtrans-64.3-42.2176.3-179.158.9000111.4M15 I18 Y19 A22 Y111 W126 D127 N128 G134 F265 L269M15-L130 HydrophobicContact CE-CD1 4.06Å; I18-L130 HydrophobicContact CG2-CD1 3.92Å; Y19-L130 HydrophobicContact CD1-CD1 4.16Å; Y19-L130 HydrophobicContact CD1-CD2 4.32Å; Y19-L130 HydrophobicContact CD1-CG 4.44Å; Y19-L130 HydrophobicContact CD2-CD1 4.49Å; Y19-L130 HydrophobicContact CE1-CD1 3.98Å; Y19-L130 HydrophobicContact CE1-CD2 4.3Å; Y19-L130 HydrophobicContact CE1-CG 4.05Å; Y19-L130 HydrophobicContact CE2-CD1 4.34Å; Y19-L130 HydrophobicContact CG-CD1 4.43Å; A22-L130 HydrophobicContact CB-CD2 3.54Å; Y111-L130 HydrophobicContact CD1-CD2 4.24Å; Y111-L130 HydrophobicContact CD2-CD2 4.12Å; Y111-L130 HydrophobicContact CE1-CD2 3.88Å; Y111-L130 HydrophobicContact CE1-CG 4.44Å; Y111-L130 HydrophobicContact CE2-CD2 3.74Å; Y111-L130 HydrophobicContact CG-CD2 4.35Å; W126-L130 WeakPolarHBondContact O-CB 3.26Å; W126-L130 PolarHBondContact O-N 2.95Å; D127-L130 PolarHBondContact O-N 3.43Å; N128-L130 VanDerWaalsContact C-N 3.32Å; N128-L130 PolarHBondContact O-N 3.38Å; L130-G134 VanDerWaalsContact O-CA 3.3Å; L130-G134 WeakPolarHBondContact O-CA 3.4Å; L130-G134 PolarHBondContact O-N 3.25Å; L130-F265 HydrophobicContact CB-CE2 4.09Å; L130-F265 HydrophobicContact CD2-CE2 3.89Å; L130-F265 HydrophobicContact CD2-CZ 4.09Å; L130-L269 HydrophobicContact CB-CD1 4.09Å; L130-L269 HydrophobicContact CD1-CD2 4.13Å
131L97.2Very high94.2Very high0 Ų016.5 Ų16.50%07%0.074CC..Hα-helixtrans-64.1-47176.4-76.7171000112.2W108 Y111 L112 Y115 D127 N128 G134 F135 Q438W108-L131 PolarHBondContact NE1-O 3.35Å; W108-L131 VanDerWaalsContact NE1-O 3.12Å; Y111-L131 HydrophobicContact CD1-CD2 3.74Å; Y111-L131 HydrophobicContact CD1-CG 3.9Å; Y111-L131 HydrophobicContact CE1-CG 4.35Å; L112-L131 HydrophobicContact CB-CD2 3.88Å; L112-L131 HydrophobicContact CD1-CD1 4.12Å; L112-L131 HydrophobicContact CD1-CD2 4.12Å; Y115-L131 HydrophobicContact CD1-CD1 3.88Å; Y115-L131 HydrophobicContact CD2-CD1 3.76Å; Y115-L131 HydrophobicContact CE1-CD1 4.24Å; Y115-L131 HydrophobicContact CE2-CD1 4.12Å; Y115-L131 HydrophobicContact CG-CD1 3.61Å; D127-L131 PolarHBondContact O-N 2.84Å; N128-L131 PolarHBondContact O-N 3.12Å; L131-G134 PolarHBondContact O-N 2.94Å; L131-F135 PolarHBondContact O-N 3Å; L131-Q438 HydrophobicContact CB-CB 4.2Å; L131-Q438 HydrophobicContact CD1-CB 3.84Å; L131-Q438 HydrophobicContact CD1-CG 4.02Å
132E97.4Very high93.7Very high1 Ų118 Ų181%0.0058%0.084CC..Hα-helixtrans-66.1-48179.2174.5162.9-170.100111.6N128 G134 F135 L136 L166 R169 L439 V440 N441 Y443N128-E132 PolarHBondContact O-N 3.46Å; E132-G134 VanDerWaalsContact C-N 3.3Å; E132-G134 PolarHBondContact O-N 2.96Å; E132-F135 PolarHBondContact O-N 3.35Å; E132-L136 WeakPolarHBondContact O-CG 3.24Å; E132-L136 PolarHBondContact O-N 2.82Å; E132-L136 VanDerWaalsContact O-N 3.12Å; E132-L166 HydrophobicContact CG-CD1 4.01Å; E132-L166 HydrophobicContact CG-CD2 4.01Å; E132-L166 WeakPolarHBondContact OE1-CD1 3.4Å; E132-R169 IonicContact OE1-CZ 3.15Å; E132-R169 IonicContact OE1-NH1 2.88Å; E132-R169 PolarHBondContact OE1-NH1 3.19Å; E132-R169 IonicContact OE1-NH2 2.76Å; E132-R169 PolarHBondContact OE1-NH2 3.46Å; E132-R169 IonicContact OE2-NH1 2.78Å; E132-L439 VanDerWaalsContact CG-O 3.31Å; E132-L439 WeakPolarHBondContact CG-O 3.45Å; E132-V440 WeakPolarHBondContact OE1-CG1 3.24Å; E132-N441 PolarHBondContact OE2-N 3.17Å; E132-N441 PolarHBondContact OE2-ND2 3.29Å; E132-Y443 PolarHBondContact OE2-OH 3.35Å
133T97.4Very high92.9Very high0 Ų020.6 Ų20.60%010%0.097CC..Hα-helixtrans-64.1-39176.7-49.80000111.2F11 M15 L129 L136 C137 L166 L273F11-T133 HydrophobicContact CE2-CG2 4.21Å; F11-T133 HydrophobicContact CZ-CG2 3.89Å; M15-T133 HydrophobicContact CE-CG2 3.59Å; M15-T133 HydrophobicContact SD-CG2 3.55Å; M15-T133 VanDerWaalsContact SD-CG2 3.55Å; L129-T133 VanDerWaalsContact O-CB 3.24Å; L129-T133 WeakPolarHBondContact O-CB 3.37Å; L129-T133 PolarHBondContact O-N 3.12Å; L129-T133 PolarHBondContact O-OG1 2.79Å; T133-L136 PolarHBondContact O-N 3.43Å; T133-C137 PolarHBondContact O-N 3.2Å; T133-C137 PolarHBondContact O-SG 2.99Å; T133-L166 WeakPolarHBondContact OG1-CD2 3.19Å; T133-L273 HydrophobicContact CG2-CD2 3.7Å
134G96.8Very high91.8Very high0 Ų014.6 Ų14.60%08%0.077CC..Hα-helixtrans-60.9-42.9177.400000113.8Y19 L130 L131 E132 C137Y19-G134 WeakPolarHBondContact OH-CA 3.49Å; L130-G134 VanDerWaalsContact O-CA 3.3Å; L130-G134 WeakPolarHBondContact O-CA 3.4Å; L130-G134 PolarHBondContact O-N 3.25Å; L131-G134 PolarHBondContact O-N 2.94Å; E132-G134 VanDerWaalsContact C-N 3.3Å; E132-G134 PolarHBondContact O-N 2.96Å; G134-C137 WeakPolarHBondContact O-CB 3.47Å; G134-C137 PolarHBondContact O-N 3.33Å
135F96.9Very high90Very high40 Ų4019.3 Ų19.318%0.17510%0.102CC..Hα-helixtrans-65.1-41.7172.9-175.9-99.8000111.4W108 L131 E132 C137 V138 M404 L439W108-F135 HydrophobicContact CD2-CD2 4.33Å; W108-F135 HydrophobicContact CH2-CD2 4.41Å; W108-F135 HydrophobicContact CZ2-CD2 4.1Å; L131-F135 PolarHBondContact O-N 3Å; E132-F135 PolarHBondContact O-N 3.35Å; F135-C137 PolarHBondContact O-N 3.25Å; F135-V138 VanDerWaalsContact O-CB 3.25Å; F135-V138 WeakPolarHBondContact O-CB 3.39Å; F135-V138 WeakPolarHBondContact O-CG2 3.4Å; F135-V138 PolarHBondContact O-N 3.29Å; F135-M404 HydrophobicContact CD1-CE 3.77Å; F135-M404 HydrophobicContact CD1-SD 3.97Å; F135-M404 HydrophobicContact CE1-CE 3.99Å; F135-M404 HydrophobicContact CE1-CG 4.28Å; F135-M404 HydrophobicContact CE1-SD 3.54Å; F135-M404 VanDerWaalsContact CE1-SD 3.54Å; F135-L439 HydrophobicContact CB-CD2 4.26Å; F135-L439 HydrophobicContact CD1-CD2 4.01Å; F135-L439 HydrophobicContact CD2-CD2 3.53Å; F135-L439 HydrophobicContact CE1-CD1 4.36Å; F135-L439 HydrophobicContact CE1-CD2 4.24Å; F135-L439 HydrophobicContact CE2-CD2 3.77Å; F135-L439 HydrophobicContact CG-CD2 3.65Å; F135-L439 HydrophobicContact CZ-CD1 4.23Å; F135-L439 HydrophobicContact CZ-CD2 4.12Å
136L96.6Very high88.1Confident5 Ų523.2 Ų23.23%0.02612%0.123CC..Hα-helixtrans-62.6-31.1175.4-65.2177.2000112.4E132 T133 V138 L139 V140 L162 I163 L166 M404E132-L136 WeakPolarHBondContact O-CG 3.24Å; E132-L136 PolarHBondContact O-N 2.82Å; E132-L136 VanDerWaalsContact O-N 3.12Å; T133-L136 PolarHBondContact O-N 3.43Å; L136-V138 PolarHBondContact O-N 3.26Å; L136-L139 HydrophobicContact CD2-CD1 4.37Å; L136-L139 PolarHBondContact O-N 2.96Å; L136-V140 WeakPolarHBondContact O-CG2 3.3Å; L136-V140 PolarHBondContact O-N 2.86Å; L136-L162 HydrophobicContact CD1-CB 4.4Å; L136-L162 HydrophobicContact CD2-CB 3.9Å; L136-L162 HydrophobicContact CD2-CD1 3.91Å; L136-I163 HydrophobicContact CB-CD1 3.49Å; L136-I163 VanDerWaalsContact CB-CD1 3.49Å; L136-I163 HydrophobicContact CD1-CD1 3.82Å; L136-I163 HydrophobicContact CG-CD1 4.29Å; L136-L166 HydrophobicContact CD1-CB 4.18Å; L136-L166 HydrophobicContact CD1-CD2 3.78Å; L136-M404 HydrophobicContact CD2-CE 3.78Å
137C95.9Very high86Confident0 Ų030.1 Ų30.10%015%0.149CC..Hα-helixtrans-59.5-31.7172.2-66.90000112.9F11 L12 F104 T133 G134 F135 L139 V140 A141F11-C137 VanDerWaalsContact CE1-SG 3.59Å; L12-C137 HydrophobicContact CD2-CB 4.3Å; F104-C137 HydrophobicContact CB-CB 3.96Å; F104-C137 HydrophobicContact CD1-CB 3.65Å; F104-C137 HydrophobicContact CD2-CB 4.3Å; F104-C137 HydrophobicContact CE1-CB 4.23Å; F104-C137 HydrophobicContact CG-CB 3.7Å; T133-C137 PolarHBondContact O-N 3.2Å; T133-C137 PolarHBondContact O-SG 2.99Å; G134-C137 WeakPolarHBondContact O-CB 3.47Å; G134-C137 PolarHBondContact O-N 3.33Å; F135-C137 PolarHBondContact O-N 3.25Å; C137-L139 PolarHBondContact O-N 3.42Å; C137-V140 PolarHBondContact O-N 2.93Å; C137-A141 WeakPolarHBondContact O-CB 3.49Å; C137-A141 PolarHBondContact O-N 3.25Å
138V94.5Very high83.2Confident24 Ų2433.5 Ų33.515%0.14518%0.184CC..Hα-helixtrans-62.2-35.6175.5-174.40000110.8S101 F104 F105 F135 L136S101-V138 VanDerWaalsContact CB-O 3.24Å; S101-V138 WeakPolarHBondContact CB-O 3.32Å; F104-V138 HydrophobicContact CB-CG2 4.33Å; F105-V138 HydrophobicContact CB-CG1 4.13Å; F105-V138 HydrophobicContact CB-CG2 3.93Å; F105-V138 HydrophobicContact CD2-CG2 4.48Å; F135-V138 VanDerWaalsContact O-CB 3.25Å; F135-V138 WeakPolarHBondContact O-CB 3.39Å; F135-V138 WeakPolarHBondContact O-CG2 3.4Å; F135-V138 PolarHBondContact O-N 3.29Å; L136-V138 PolarHBondContact O-N 3.26Å
139L92.6Very high80.9Confident24 Ų2436 Ų3613%0.12620%0.202CC..Hα-helixtrans-81.2-31.5177.9-56.8179.7000112.7L136 C137 T159 L162 F397 A400 M404L136-L139 HydrophobicContact CD2-CD1 4.37Å; L136-L139 PolarHBondContact O-N 2.96Å; C137-L139 PolarHBondContact O-N 3.42Å; L139-T159 HydrophobicContact CB-CG2 4.32Å; L139-T159 WeakPolarHBondContact O-CG2 3.47Å; L139-L162 HydrophobicContact CD1-CD1 3.89Å; L139-F397 HydrophobicContact CD2-CE1 4.47Å; L139-F397 WeakPolarHBondContact O-CE1 3.38Å; L139-A400 HydrophobicContact CD2-CB 4.26Å; L139-M404 HydrophobicContact CD1-CG 4.17Å
140V91.9Very high78.9Confident1 Ų145.4 Ų45.41%0.00624%0.238CC..Hα-helixtrans-83.9-32.9-176.5172.30000112.3R8 F11 L12 L136 C137 F160 I163R8-V140 HydrophobicContact CG-CG1 3.66Å; F11-V140 HydrophobicContact CD1-CG1 4.15Å; F11-V140 HydrophobicContact CE1-CG1 4.27Å; L12-V140 HydrophobicContact CD2-CG1 4.19Å; L136-V140 WeakPolarHBondContact O-CG2 3.3Å; L136-V140 PolarHBondContact O-N 2.86Å; C137-V140 PolarHBondContact O-N 2.93Å; V140-F160 HydrophobicContact CG1-CD2 4.14Å; V140-I163 HydrophobicContact CG2-CD1 4.16Å; V140-I163 HydrophobicContact CG2-CG1 3.95Å
141A89.4Confident76.9Confident3 Ų350.2 Ų50.23%0.02527%0.267CS..SBendtrans-69.7144.718000000111.4L12 F104 C137L12-A141 HydrophobicContact CD1-CB 4.09Å; L12-A141 HydrophobicContact CD2-CB 4.02Å; F104-A141 HydrophobicContact CD2-CB 3.79Å; F104-A141 HydrophobicContact CE2-CB 4.26Å; C137-A141 WeakPolarHBondContact O-CB 3.49Å; C137-A141 PolarHBondContact O-N 3.25Å
142P83.3Confident74.9Confident33 Ų3353.4 Ų53.421%0.21429%0.287CS..  trans-63.9155.5172.631.7-36.5000110.1S101 T144S101-P142 PolarHBondContact N-O 3.05Å; P142-T144 HydrophobicContact CB-CG2 3.97Å; P142-T144 HydrophobicContact CG-CG2 4.07Å
143L74.6Confident73.5Confident54 Ų5454.9 Ų54.928%0.28329%0.292SS..  trans-9981.2166.7-74.3111.4000108.7D100 S101 R153 F397D100-L143 VanDerWaalsContact OD1-CA 3.28Å; D100-L143 WeakPolarHBondContact OD1-CA 3.43Å; S101-L143 WeakPolarHBondContact OG-CD2 3.37Å; S101-L143 VanDerWaalsContact OG-CG 3.27Å; S101-L143 WeakPolarHBondContact OG-CG 3.31Å; L143-R153 PolarHBondContact O-NH2 2.9Å; L143-F397 HydrophobicContact CD1-CE2 4.41Å; L143-F397 HydrophobicContact CD1-CZ 3.76Å
144T63.8Low72.1Confident28 Ų2857.7 Ų57.717%0.17231%0.305CS..  trans-88.5-25.4-178.349.50000113.4D100 P142 I146 R147D100-T144 PolarHBondContact OD1-N 3.16Å; D100-T144 PolarHBondContact OD1-OG1 3.21Å; D100-T144 VanDerWaalsContact OD1-OG1 3.14Å; P142-T144 HydrophobicContact CB-CG2 3.97Å; P142-T144 HydrophobicContact CG-CG2 4.07Å; T144-I146 PolarHBondContact O-N 2.69Å; T144-I146 VanDerWaalsContact O-N 3.17Å; T144-R147 CarbonylContact O-C 3.54Å; T144-R147 PolarHBondContact O-N 2.74Å
145L54.4Low71Confident113 Ų11358 Ų5859%0.59231%0.306SS*.SBendtrans-65.9-19.1-173.8-123117.8000114.5D100 L102D100-L145 HydrophobicContact CB-CD1 4.35Å; L102-L145 HydrophobicContact CD1-CB 3.89Å; L102-L145 HydrophobicContact CD1-CD2 4.21Å; L102-L145 HydrophobicContact CD1-CG 4.43Å
146I51.2Low70.2Confident136 Ų13656.4 Ų56.470%0.69730%0.3SS*.SBendtrans-107.3-20.2-176.5-61.1171.8000112T144T144-I146 PolarHBondContact O-N 2.69Å; T144-I146 VanDerWaalsContact O-N 3.17Å
147R47.8Very low69.7Low157 Ų15757.2 Ų57.259%0.59231%0.305SS*.SBendtrans-154.5105.7177.8-105.2176.5173164.8-1.5106.5T144 S149 W389T144-R147 CarbonylContact O-C 3.54Å; T144-R147 PolarHBondContact O-N 2.74Å; R147-S149 PolarHBondContact O-N 3.03Å; R147-W389 VanDerWaalsContact NH1-CE2 3.25Å
148G37.7Very low69.4Low71 Ų7157.2 Ų57.273%0.73231%0.306SS*.  trans-58.912.6-172.600000117.1R150G148-R150 PolarHBondContact O-N 3.25Å
149S46.6Very low69.2Low66 Ų6656.1 Ų56.146%0.46230%0.299SS..  trans-77.2110.1179.2-168.10000111.3R147 V151R147-S149 PolarHBondContact O-N 3.03Å; S149-V151 PolarHBondContact O-N 2.94Å; S149-V151 WeakPolarHBondContact OG-CB 3.37Å; S149-V151 WeakPolarHBondContact OG-CG2 3.43Å
150R52.9Low69.2Low197 Ų19755 Ų5574%0.74329%0.293SS*.  trans-77.211.1172.6-61.1177.5-178.31702.7113G148G148-R150 PolarHBondContact O-N 3.25Å
151V55.2Low69.3Low102 Ų10255 Ų5562%0.61829%0.293SS*.PPolyproline II helixtrans-69.1138.4-173176.80000110.1S149 R153S149-V151 PolarHBondContact O-N 2.94Å; S149-V151 WeakPolarHBondContact OG-CB 3.37Å; S149-V151 WeakPolarHBondContact OG-CG2 3.43Å; V151-R153 PolarHBondContact O-N 3.49Å
152V56.8Low69.7Low67 Ų6755.1 Ų55.141%0.40629%0.293SS..PPolyproline II helixtrans-52.5130.9175-1800000108.8I5I5-V152 HydrophobicContact CD1-CB 4.43Å; I5-V152 HydrophobicContact CD1-CG1 4.09Å; I5-V152 HydrophobicContact CD1-CG2 3.42Å; I5-V152 VanDerWaalsContact CD1-CG2 3.42Å; I5-V152 HydrophobicContact CG1-CG1 4.12Å; I5-V152 HydrophobicContact CG1-CG2 3.95Å
153R67.7Low70.3Confident31 Ų3153.5 Ų53.512%0.11728%0.283CS..PPolyproline II helixtrans-100.8130.3-178.7-62.9178.8175.7-170.5-1.5108.7L143 V151 H155 D156L143-R153 PolarHBondContact O-NH2 2.9Å; V151-R153 PolarHBondContact O-N 3.49Å; R153-H155 VanDerWaalsContact CD-CE1 3.47Å; R153-H155 WeakPolarHBondContact CD-CE1 3.49Å; R153-H155 PolarHBondContact O-N 3.4Å; R153-D156 PolarHBondContact N-OD2 3.48Å; R153-D156 VanDerWaalsContact N-OD2 3.13Å; R153-D156 VanDerWaalsContact O-CB 3.29Å; R153-D156 WeakPolarHBondContact O-CB 3.42Å; R153-D156 PolarHBondContact O-N 3.34Å; R153-D156 VanDerWaalsContact O-OD2 3.1Å
154E67.9Low71.3Confident60 Ų6051.2 Ų51.228%0.2827%0.27SS..THydrogen-bonded Turntrans-63.5-14.4-177.1-61.5-54152.400114.2S374 R377 C378 I381E154-S374 VanDerWaalsContact O-CB 3.28Å; E154-S374 WeakPolarHBondContact O-CB 3.41Å; E154-S374 PolarHBondContact O-OG 2.85Å; E154-R377 HydrophobicContact CB-CB 4.21Å; E154-R377 HydrophobicContact CG-CB 4.25Å; E154-R377 WeakPolarHBondContact OE2-CB 3.29Å; E154-R377 WeakPolarHBondContact OE2-CD 3.42Å; E154-C378 VanDerWaalsContact CB-SG 3.51Å; E154-I381 HydrophobicContact CG-CD1 3.92Å
155H73.2Confident72.9Confident5 Ų550 Ų502%0.02326%0.263CS..THydrogen-bonded Turntrans-90.1-4.2175.558.4-98.1000114.7R153 P157 V158 F397R153-H155 VanDerWaalsContact CD-CE1 3.47Å; R153-H155 WeakPolarHBondContact CD-CE1 3.49Å; R153-H155 PolarHBondContact O-N 3.4Å; H155-P157 VanDerWaalsContact C-N 3.33Å; H155-V158 WeakPolarHBondContact O-CB 3.49Å; H155-V158 PolarHBondContact O-N 3.37Å; H155-V158 VanDerWaalsContact O-N 3.1Å; H155-F397 HydrophobicContact CB-CB 4.41Å; H155-F397 AromaticContact CD2-CD2 3.42Å; H155-F397 VanDerWaalsContact CD2-CD2 3.42Å; H155-F397 WeakPolarHBondContact CD2-CD2 3.46Å; H155-F397 AromaticContact CD2-CE2 3.88Å; H155-F397 AromaticContact CD2-CG 3.66Å; H155-F397 AromaticContact CE1-CD2 3.77Å; H155-F397 AromaticContact CE1-CE2 3.86Å; H155-F397 AromaticContact CG-CD2 3.98Å; H155-F397 AromaticContact NE2-CD2 3.3Å; H155-F397 VanDerWaalsContact NE2-CD2 3.3Å; H155-F397 WeakPolarHBondContact NE2-CD2 3.38Å; H155-F397 AromaticContact NE2-CE2 3.29Å; H155-F397 VanDerWaalsContact NE2-CE2 3.29Å; H155-F397 WeakPolarHBondContact NE2-CE2 3.34Å; H155-F397 AromaticContact NE2-CG 3.98Å; H155-F397 AromaticContact NE2-CZ 3.94Å
156D81Confident74.9Confident8 Ų844.6 Ų44.64%0.04323%0.234CC..Hα-helixtrans-54.9-37.2-179.5-67.9-27.8000114.3I4 R8 R153 V158 T159 F160I4-D156 HydrophobicContact CD1-CB 4.45Å; R8-D156 IonicContact CZ-OD1 2.56Å; R8-D156 IonicContact CZ-OD2 2.66Å; R8-D156 IonicContact NH1-OD1 3.28Å; R8-D156 PolarHBondContact NH1-OD1 2.83Å; R8-D156 IonicContact NH1-OD2 3.75Å; R8-D156 PolarHBondContact NH1-OD2 3.04Å; R8-D156 IonicContact NH2-OD2 2.65Å; R8-D156 PolarHBondContact NH2-OD2 2.9Å; R153-D156 PolarHBondContact N-OD2 3.48Å; R153-D156 VanDerWaalsContact N-OD2 3.13Å; R153-D156 VanDerWaalsContact O-CB 3.29Å; R153-D156 WeakPolarHBondContact O-CB 3.42Å; R153-D156 PolarHBondContact O-N 3.34Å; R153-D156 VanDerWaalsContact O-OD2 3.1Å; D156-V158 VanDerWaalsContact C-N 3.28Å; D156-V158 PolarHBondContact O-N 3.16Å; D156-T159 PolarHBondContact O-N 2.9Å; D156-T159 PolarHBondContact O-OG1 3.2Å; D156-F160 WeakPolarHBondContact O-CB 3.45Å; D156-F160 PolarHBondContact O-N 3.21Å; D156-F160 VanDerWaalsContact O-N 3.11Å
157P85.6Confident77.2Confident21 Ų2138.1 Ų38.114%0.13620%0.201CC..Hα-helixtrans-61-34.7176.6-25.636.4000113.9I4 H155 W161I4-P157 HydrophobicContact CD1-CB 4.42Å; I4-P157 HydrophobicContact CD1-CG 4.38Å; H155-P157 VanDerWaalsContact C-N 3.33Å; P157-W161 WeakPolarHBondContact O-CB 3.46Å; P157-W161 PolarHBondContact O-N 2.99Å
158V89Confident79.5Confident1 Ų130.8 Ų30.81%0.00617%0.173CC..Hα-helixtrans-68.1-45.7-178.2178.60000110.8H155 D156 W161 L367 L371 A401H155-V158 WeakPolarHBondContact O-CB 3.49Å; H155-V158 PolarHBondContact O-N 3.37Å; H155-V158 VanDerWaalsContact O-N 3.1Å; D156-V158 VanDerWaalsContact C-N 3.28Å; D156-V158 PolarHBondContact O-N 3.16Å; V158-W161 WeakPolarHBondContact O-CB 3.26Å; V158-W161 PolarHBondContact O-N 2.94Å; V158-L367 HydrophobicContact CG1-CD1 4.35Å; V158-L371 HydrophobicContact CB-CD2 4.4Å; V158-L371 HydrophobicContact CG1-CD2 3.51Å; V158-L371 HydrophobicContact CG1-CG 4.43Å; V158-L371 HydrophobicContact CG2-CD2 3.93Å; V158-A401 HydrophobicContact CG1-CB 3.63Å
159T90.8Very high82.2Confident1 Ų127.8 Ų27.81%0.00614%0.14CC..Hα-helixtrans-72.5-37.7-178.259.70000110.9L139 D156 W161 L162 F397L139-T159 HydrophobicContact CB-CG2 4.32Å; L139-T159 WeakPolarHBondContact O-CG2 3.47Å; D156-T159 PolarHBondContact O-N 2.9Å; D156-T159 PolarHBondContact O-OG1 3.2Å; T159-W161 VanDerWaalsContact C-N 3.28Å; T159-W161 PolarHBondContact O-N 3.4Å; T159-L162 WeakPolarHBondContact O-CB 3.37Å; T159-L162 PolarHBondContact O-N 3.15Å; T159-L162 VanDerWaalsContact O-N 3.16Å; T159-F397 HydrophobicContact CG2-CB 4.24Å; T159-F397 HydrophobicContact CG2-CD1 3.65Å; T159-F397 HydrophobicContact CG2-CE1 4.4Å; T159-F397 HydrophobicContact CG2-CG 4.24Å
160F92.3Very high84.6Confident1 Ų124.7 Ų24.70%0.00412%0.118CC..Hα-helixtrans-70.1-25.2176.4-153.7-130.5000112.9I4 P7 R8 F11 V140 D156 L162 I163 R164 S276I4-F160 HydrophobicContact CB-CD1 4.26Å; I4-F160 HydrophobicContact CB-CE1 4.46Å; I4-F160 HydrophobicContact CD1-CB 3.67Å; I4-F160 HydrophobicContact CD1-CD1 3.71Å; I4-F160 HydrophobicContact CD1-CG 3.99Å; I4-F160 HydrophobicContact CG2-CD1 4.46Å; P7-F160 HydrophobicContact CB-CE1 4.06Å; P7-F160 HydrophobicContact CB-CZ 4.09Å; R8-F160 HydrophobicContact CB-CE2 4.45Å; F11-F160 HydrophobicContact CB-CE2 4.04Å; F11-F160 HydrophobicContact CB-CZ 4.42Å; F11-F160 HydrophobicContact CD1-CE2 4.25Å; F11-F160 HydrophobicContact CG-CE2 4.02Å; V140-F160 HydrophobicContact CG1-CD2 4.14Å; D156-F160 WeakPolarHBondContact O-CB 3.45Å; D156-F160 PolarHBondContact O-N 3.21Å; D156-F160 VanDerWaalsContact O-N 3.11Å; F160-L162 VanDerWaalsContact C-N 3.27Å; F160-L162 PolarHBondContact O-N 3.3Å; F160-I163 HydrophobicContact CD2-CB 4.49Å; F160-I163 HydrophobicContact CD2-CG1 4.13Å; F160-I163 WeakPolarHBondContact O-CB 3.48Å; F160-I163 PolarHBondContact O-N 3.41Å; F160-R164 PolarHBondContact O-N 3.39Å; F160-S276 VanDerWaalsContact CE1-CA 3.45Å
161W95Very high86.6Confident0 Ų015.6 Ų15.60%08%0.084CC..Hα-helixtrans-61-34.1170.2-17898.4000112.5P157 V158 T159 I163 R164 W165 F236 G363 S366 L367 E370 F405P157-W161 WeakPolarHBondContact O-CB 3.46Å; P157-W161 PolarHBondContact O-N 2.99Å; V158-W161 WeakPolarHBondContact O-CB 3.26Å; V158-W161 PolarHBondContact O-N 2.94Å; T159-W161 VanDerWaalsContact C-N 3.28Å; T159-W161 PolarHBondContact O-N 3.4Å; W161-I163 VanDerWaalsContact C-N 3.28Å; W161-I163 PolarHBondContact O-N 2.87Å; W161-R164 WeakPolarHBondContact O-CB 3.34Å; W161-R164 PolarHBondContact O-N 3.32Å; W161-R164 VanDerWaalsContact O-N 3.1Å; W161-W165 HydrophobicContact CE3-CB 4.16Å; W161-W165 HydrophobicContact CH2-CB 3.94Å; W161-W165 HydrophobicContact CH2-CD2 4.23Å; W161-W165 HydrophobicContact CH2-CE3 4.26Å; W161-W165 HydrophobicContact CH2-CG 4.07Å; W161-W165 HydrophobicContact CZ2-CB 4.41Å; W161-W165 HydrophobicContact CZ2-CE3 4.5Å; W161-W165 HydrophobicContact CZ3-CB 3.81Å; W161-W165 HydrophobicContact CZ3-CG 4.14Å; W161-W165 PolarHBondContact O-N 2.91Å; W161-F236 AromaticContact CE2-CE1 3.94Å; W161-F236 AromaticContact CZ2-CE1 3.98Å; W161-F236 HydrophobicContact CZ2-CE1 3.98Å; W161-F236 AromaticContact NE1-CD1 3.85Å; W161-F236 AromaticContact NE1-CE1 3.71Å; W161-G363 WeakPolarHBondContact CZ2-O 3.44Å; W161-S366 PolarHBondContact NE1-OG 3.29Å; W161-L367 HydrophobicContact CD2-CB 4.25Å; W161-L367 HydrophobicContact CD2-CD1 4.04Å; W161-L367 HydrophobicContact CE3-CB 4.2Å; W161-L367 HydrophobicContact CE3-CD1 3.64Å; W161-L367 HydrophobicContact CE3-CD2 4.48Å; W161-L367 HydrophobicContact CE3-CG 4.3Å; W161-L367 HydrophobicContact CH2-CB 3.69Å; W161-L367 HydrophobicContact CH2-CD2 4.25Å; W161-L367 HydrophobicContact CH2-CG 4.38Å; W161-L367 HydrophobicContact CZ2-CB 3.75Å; W161-L367 HydrophobicContact CZ3-CB 3.91Å; W161-L367 HydrophobicContact CZ3-CD1 3.92Å; W161-L367 HydrophobicContact CZ3-CD2 3.91Å; W161-L367 HydrophobicContact CZ3-CG 4.12Å; W161-E370 HydrophobicContact CB-CG 4.48Å; W161-E370 HydrophobicContact CG-CG 4.4Å; W161-F405 AromaticContact CH2-CD2 3.45Å; W161-F405 HydrophobicContact CH2-CD2 3.45Å; W161-F405 VanDerWaalsContact CH2-CD2 3.45Å; W161-F405 AromaticContact CH2-CE2 3.62Å; W161-F405 HydrophobicContact CH2-CE2 3.62Å; W161-F405 HydrophobicContact CH2-CG 4.19Å; W161-F405 HydrophobicContact CH2-CZ 4.47Å; W161-F405 HydrophobicContact CZ3-CB 4.32Å; W161-F405 AromaticContact CZ3-CD2 3.69Å; W161-F405 HydrophobicContact CZ3-CD2 3.69Å; W161-F405 HydrophobicContact CZ3-CE2 4.33Å; W161-F405 HydrophobicContact CZ3-CG 4.18Å
162L96.3Very high88.5Confident5 Ų510.7 Ų10.73%0.0266%0.055CC..Hα-helixtrans-62.1-36.3176.1-62.3170.9000112.2L136 L139 T159 F160 R164 W165 L166 A401 M404L136-L162 HydrophobicContact CD1-CB 4.4Å; L136-L162 HydrophobicContact CD2-CB 3.9Å; L136-L162 HydrophobicContact CD2-CD1 3.91Å; L139-L162 HydrophobicContact CD1-CD1 3.89Å; T159-L162 WeakPolarHBondContact O-CB 3.37Å; T159-L162 PolarHBondContact O-N 3.15Å; T159-L162 VanDerWaalsContact O-N 3.16Å; F160-L162 VanDerWaalsContact C-N 3.27Å; F160-L162 PolarHBondContact O-N 3.3Å; L162-R164 VanDerWaalsContact C-N 3.32Å; L162-W165 PolarHBondContact O-N 2.95Å; L162-L166 PolarHBondContact O-N 2.98Å; L162-A401 HydrophobicContact CD1-CB 3.88Å; L162-A401 HydrophobicContact CD2-CB 4.09Å; L162-A401 HydrophobicContact CG-CB 4.14Å; L162-M404 HydrophobicContact CD1-CB 4.34Å; L162-M404 HydrophobicContact CD2-CB 4.22Å
163I96.8Very high90.3Very high0 Ų07.8 Ų7.80%04%0.038CC..Hα-helixtrans-62.8-43.1174.7-55.7-57.6000110.2F11 L136 V140 F160 W161 L166 L167 L273F11-I163 HydrophobicContact CD2-CG2 4.35Å; F11-I163 HydrophobicContact CE1-CD1 4.05Å; F11-I163 HydrophobicContact CE1-CG1 4.31Å; F11-I163 HydrophobicContact CE2-CD1 4.26Å; F11-I163 HydrophobicContact CE2-CG1 4.44Å; F11-I163 HydrophobicContact CE2-CG2 3.79Å; F11-I163 HydrophobicContact CZ-CD1 3.56Å; F11-I163 HydrophobicContact CZ-CG1 4.02Å; F11-I163 HydrophobicContact CZ-CG2 4.18Å; L136-I163 HydrophobicContact CB-CD1 3.49Å; L136-I163 VanDerWaalsContact CB-CD1 3.49Å; L136-I163 HydrophobicContact CD1-CD1 3.82Å; L136-I163 HydrophobicContact CG-CD1 4.29Å; V140-I163 HydrophobicContact CG2-CD1 4.16Å; V140-I163 HydrophobicContact CG2-CG1 3.95Å; F160-I163 HydrophobicContact CD2-CB 4.49Å; F160-I163 HydrophobicContact CD2-CG1 4.13Å; F160-I163 WeakPolarHBondContact O-CB 3.48Å; F160-I163 PolarHBondContact O-N 3.41Å; W161-I163 VanDerWaalsContact C-N 3.28Å; W161-I163 PolarHBondContact O-N 2.87Å; I163-L166 PolarHBondContact O-N 3.42Å; I163-L167 PolarHBondContact O-N 2.92Å; I163-L273 HydrophobicContact CG2-CD2 3.63Å
164R95.9Very high91.5Very high5 Ų56.6 Ų6.62%0.0193%0.034CC..Hα-helixtrans-63.9-40.7175.6-172.9-175.3-60.6138.77.3112.1M1 F160 W161 L162 L167 F168 F235 F236 S276 L277M1-R164 VanDerWaalsContact SD-CZ 3.52Å; M1-R164 PolarHBondContact SD-NH1 2.88Å; M1-R164 PolarHBondContact SD-NH2 3.28Å; F160-R164 PolarHBondContact O-N 3.39Å; W161-R164 WeakPolarHBondContact O-CB 3.34Å; W161-R164 PolarHBondContact O-N 3.32Å; W161-R164 VanDerWaalsContact O-N 3.1Å; L162-R164 VanDerWaalsContact C-N 3.32Å; R164-L167 PolarHBondContact O-N 3.29Å; R164-F168 PolarHBondContact O-N 2.91Å; R164-F235 WeakPolarHBondContact CD-O 3.41Å; R164-F235 HydrophobicContact CG-CB 4.12Å; R164-F236 HydrophobicContact CG-CE1 4.13Å; R164-S276 WeakPolarHBondContact CA-OG 2.9Å; R164-S276 PolarHBondContact NE-O 2.83Å; R164-S276 PolarHBondContact NH2-O 3.4Å; R164-L277 HydrophobicContact CG-CD2 4.01Å
165W96.9Very high92.7Very high3 Ų33.7 Ų3.71%0.0112%0.021CC..Hα-helixtrans-63.9-41.3175.2174.6-110.8000112.3W161 L162 F168 R169 F236 F405 S408 L409 F412W161-W165 HydrophobicContact CE3-CB 4.16Å; W161-W165 HydrophobicContact CH2-CB 3.94Å; W161-W165 HydrophobicContact CH2-CD2 4.23Å; W161-W165 HydrophobicContact CH2-CE3 4.26Å; W161-W165 HydrophobicContact CH2-CG 4.07Å; W161-W165 HydrophobicContact CZ2-CB 4.41Å; W161-W165 HydrophobicContact CZ2-CE3 4.5Å; W161-W165 HydrophobicContact CZ3-CB 3.81Å; W161-W165 HydrophobicContact CZ3-CG 4.14Å; W161-W165 PolarHBondContact O-N 2.91Å; L162-W165 PolarHBondContact O-N 2.95Å; W165-F168 HydrophobicContact CE3-CD1 4.04Å; W165-F168 HydrophobicContact CH2-CD1 4.2Å; W165-F168 HydrophobicContact CH2-CE1 4.26Å; W165-F168 AromaticContact CZ3-CD1 3.69Å; W165-F168 HydrophobicContact CZ3-CD1 3.69Å; W165-F168 AromaticContact CZ3-CE1 3.97Å; W165-F168 HydrophobicContact CZ3-CE1 3.97Å; W165-F168 PolarHBondContact O-N 3.3Å; W165-R169 HydrophobicContact CD2-CG 4.4Å; W165-R169 HydrophobicContact CZ2-CG 3.9Å; W165-R169 VanDerWaalsContact NE1-NE 3.12Å; W165-R169 WeakPolarHBondContact O-CG 3.43Å; W165-R169 PolarHBondContact O-N 2.94Å; W165-F236 HydrophobicContact CE3-CE2 4.46Å; W165-F236 AromaticContact CE3-CZ 3.79Å; W165-F236 HydrophobicContact CE3-CZ 3.79Å; W165-F236 HydrophobicContact CZ3-CZ 4.43Å; W165-F405 AromaticContact CD1-CD2 3.88Å; W165-F405 AromaticContact CD2-CD2 3.91Å; W165-F405 HydrophobicContact CD2-CD2 3.91Å; W165-F405 AromaticContact CD2-CE2 3.7Å; W165-F405 HydrophobicContact CD2-CE2 3.7Å; W165-F405 AromaticContact CE2-CD2 3.71Å; W165-F405 AromaticContact CE2-CE2 3.49Å; W165-F405 VanDerWaalsContact CE2-CE2 3.49Å; W165-F405 AromaticContact CE3-CE2 3.94Å; W165-F405 HydrophobicContact CE3-CE2 3.94Å; W165-F405 HydrophobicContact CG-CD2 4.06Å; W165-F405 HydrophobicContact CG-CE2 4.33Å; W165-F405 AromaticContact CH2-CE2 3.89Å; W165-F405 HydrophobicContact CH2-CE2 3.89Å; W165-F405 HydrophobicContact CZ2-CD2 4.23Å; W165-F405 AromaticContact CZ2-CE2 3.61Å; W165-F405 HydrophobicContact CZ2-CE2 3.61Å; W165-F405 HydrophobicContact CZ2-CZ 4.49Å; W165-F405 HydrophobicContact CZ3-CE2 4.03Å; W165-F405 AromaticContact NE1-CD2 3.63Å; W165-F405 AromaticContact NE1-CE2 3.92Å; W165-S408 PolarHBondContact NE1-OG 3.42Å; W165-L409 HydrophobicContact CH2-CD2 4.44Å; W165-L409 HydrophobicContact CZ2-CD2 3.91Å; W165-F412 HydrophobicContact CH2-CD1 4.42Å; W165-F412 HydrophobicContact CH2-CE1 4.35Å; W165-F412 HydrophobicContact CZ2-CD1 4.45Å; W165-F412 HydrophobicContact CZ2-CG 4.46Å
166L97.5Very high93.7Very high0 Ų03.5 Ų3.50%02%0.019CC..Hα-helixtrans-60.7-46.7172.4173.458.7000111.7L129 E132 T133 L136 L162 I163 F168 R169 L170 L273 Y443L129-L166 HydrophobicContact CD1-CD1 4.06Å; L129-L166 HydrophobicContact CD1-CD2 4.15Å; L129-L166 HydrophobicContact CD1-CG 4.3Å; E132-L166 HydrophobicContact CG-CD1 4.01Å; E132-L166 HydrophobicContact CG-CD2 4.01Å; E132-L166 WeakPolarHBondContact OE1-CD1 3.4Å; T133-L166 WeakPolarHBondContact OG1-CD2 3.19Å; L136-L166 HydrophobicContact CD1-CB 4.18Å; L136-L166 HydrophobicContact CD1-CD2 3.78Å; L162-L166 PolarHBondContact O-N 2.98Å; I163-L166 PolarHBondContact O-N 3.42Å; L166-F168 VanDerWaalsContact C-N 3.32Å; L166-F168 PolarHBondContact O-N 3.26Å; L166-R169 PolarHBondContact O-N 3.08Å; L166-L170 WeakPolarHBondContact O-CB 3.46Å; L166-L170 PolarHBondContact O-N 2.93Å; L166-L273 HydrophobicContact CD2-CD1 4.36Å; L166-L273 HydrophobicContact CD2-CD2 3.94Å; L166-L273 HydrophobicContact CG-CD1 4.29Å; L166-L273 HydrophobicContact CG-CD2 4.42Å; L166-Y443 HydrophobicContact CD1-CE2 3.75Å
167L97.4Very high94.2Very high0 Ų03.3 Ų3.30%02%0.019CC..Hα-helixtrans-58.1-44.5176.2-179.964.3000111.6I163 R164 L170 M171 F235 T270 L273 C274 L277I163-L167 PolarHBondContact O-N 2.92Å; R164-L167 PolarHBondContact O-N 3.29Å; L167-L170 PolarHBondContact O-N 3.29Å; L167-M171 HydrophobicContact CD1-CG 3.97Å; L167-M171 HydrophobicContact CG-CG 4.45Å; L167-M171 WeakPolarHBondContact O-CG 3.47Å; L167-M171 PolarHBondContact O-N 3.41Å; L167-F235 HydrophobicContact CD2-CD2 4.23Å; L167-F235 HydrophobicContact CD2-CE2 3.89Å; L167-F235 HydrophobicContact CD2-CZ 4.12Å; L167-F235 HydrophobicContact CG-CD2 4.25Å; L167-F235 HydrophobicContact CG-CE2 3.68Å; L167-F235 HydrophobicContact CG-CZ 4.18Å; L167-T270 HydrophobicContact CD1-CG2 4.2Å; L167-L273 HydrophobicContact CB-CB 4.18Å; L167-L273 HydrophobicContact CD1-CB 3.9Å; L167-L273 HydrophobicContact CG-CB 4.47Å; L167-C274 HydrophobicContact CD2-CB 4.48Å; L167-L277 HydrophobicContact CD2-CD1 3.96Å; L167-L277 HydrophobicContact CD2-CD2 4.44Å; L167-L277 HydrophobicContact CD2-CG 4.1Å
168F96.6Very high94.6Very high2 Ų22.7 Ų2.71%0.0091%0.014CC..Hα-helixtrans-57-52.7175173.1-99.2000111.3R164 W165 L166 L170 M171 F172 P232 F233 F235 F236 C359 F412R164-F168 PolarHBondContact O-N 2.91Å; W165-F168 HydrophobicContact CE3-CD1 4.04Å; W165-F168 HydrophobicContact CH2-CD1 4.2Å; W165-F168 HydrophobicContact CH2-CE1 4.26Å; W165-F168 AromaticContact CZ3-CD1 3.69Å; W165-F168 HydrophobicContact CZ3-CD1 3.69Å; W165-F168 AromaticContact CZ3-CE1 3.97Å; W165-F168 HydrophobicContact CZ3-CE1 3.97Å; W165-F168 PolarHBondContact O-N 3.3Å; L166-F168 VanDerWaalsContact C-N 3.32Å; L166-F168 PolarHBondContact O-N 3.26Å; F168-L170 VanDerWaalsContact C-N 3.32Å; F168-L170 PolarHBondContact O-N 3.44Å; F168-M171 PolarHBondContact O-N 3.04Å; F168-F172 HydrophobicContact CE1-CB 4.46Å; F168-F172 HydrophobicContact CE2-CB 4.3Å; F168-F172 HydrophobicContact CE2-CG 4.48Å; F168-F172 HydrophobicContact CZ-CB 4.22Å; F168-F172 HydrophobicContact CZ-CD1 4.48Å; F168-F172 HydrophobicContact CZ-CD2 4.41Å; F168-F172 HydrophobicContact CZ-CG 4.12Å; F168-F172 WeakPolarHBondContact O-CB 3.38Å; F168-F172 PolarHBondContact O-N 2.95Å; F168-P232 HydrophobicContact CD2-CB 3.54Å; F168-P232 WeakPolarHBondContact CD2-O 3.32Å; F168-P232 HydrophobicContact CE2-CB 3.87Å; F168-F233 HydrophobicContact CE2-CD1 4.47Å; F168-F233 HydrophobicContact CZ-CE1 4.48Å; F168-F235 HydrophobicContact CB-CD2 4.08Å; F168-F236 HydrophobicContact CB-CE2 3.76Å; F168-F236 HydrophobicContact CB-CZ 3.86Å; F168-F236 HydrophobicContact CD1-CE2 4.22Å; F168-F236 HydrophobicContact CD2-CD2 4.46Å; F168-F236 AromaticContact CD2-CE2 3.68Å; F168-F236 HydrophobicContact CD2-CE2 3.68Å; F168-F236 HydrophobicContact CE2-CE2 4.33Å; F168-F236 AromaticContact CG-CE2 3.61Å; F168-F236 HydrophobicContact CG-CE2 3.61Å; F168-F236 HydrophobicContact CG-CZ 4.13Å; F168-C359 HydrophobicContact CE1-CB 4.35Å; F168-C359 HydrophobicContact CZ-CB 4.18Å; F168-F412 AromaticContact CE1-CE2 3.91Å; F168-F412 HydrophobicContact CE1-CE2 3.91Å; F168-F412 AromaticContact CE1-CZ 3.86Å; F168-F412 HydrophobicContact CE1-CZ 3.86Å
169R95.6Very high94.7Very high9 Ų92.8 Ų2.83%0.0342%0.015CC..Hα-helixtrans-58.5-44.8179.3-74.4-171.1-71.4121-1.5111.8E132 W165 L166 A173 F412 V440E132-R169 IonicContact OE1-CZ 3.15Å; E132-R169 IonicContact OE1-NH1 2.88Å; E132-R169 PolarHBondContact OE1-NH1 3.19Å; E132-R169 IonicContact OE1-NH2 2.76Å; E132-R169 PolarHBondContact OE1-NH2 3.46Å; E132-R169 IonicContact OE2-NH1 2.78Å; W165-R169 HydrophobicContact CD2-CG 4.4Å; W165-R169 HydrophobicContact CZ2-CG 3.9Å; W165-R169 VanDerWaalsContact NE1-NE 3.12Å; W165-R169 WeakPolarHBondContact O-CG 3.43Å; W165-R169 PolarHBondContact O-N 2.94Å; L166-R169 PolarHBondContact O-N 3.08Å; R169-A173 WeakPolarHBondContact O-CB 3.43Å; R169-A173 PolarHBondContact O-N 3.21Å; R169-F412 HydrophobicContact CB-CD2 4.41Å; R169-F412 HydrophobicContact CG-CB 4.41Å; R169-F412 HydrophobicContact CG-CD2 3.7Å; R169-F412 HydrophobicContact CG-CE2 4.3Å; R169-F412 HydrophobicContact CG-CG 4.27Å; R169-V440 VanDerWaalsContact NH1-CG1 3.33Å
170L95.7Very high94.8Very high1 Ų14.4 Ų4.41%0.0052%0.024CC..Hα-helixtrans-59.3-53.6179.8177.663.5000111.3L129 L166 L167 F168 S174 F266 T270 L273 Y443L129-L170 HydrophobicContact CD1-CD2 4.27Å; L129-L170 HydrophobicContact CD2-CD2 3.79Å; L166-L170 WeakPolarHBondContact O-CB 3.46Å; L166-L170 PolarHBondContact O-N 2.93Å; L167-L170 PolarHBondContact O-N 3.29Å; F168-L170 VanDerWaalsContact C-N 3.32Å; F168-L170 PolarHBondContact O-N 3.44Å; L170-S174 WeakPolarHBondContact O-CB 3.41Å; L170-S174 PolarHBondContact O-N 3.25Å; L170-S174 VanDerWaalsContact O-N 3.08Å; L170-S174 PolarHBondContact O-OG 3.29Å; L170-F266 HydrophobicContact CD1-CE2 4.23Å; L170-F266 HydrophobicContact CD1-CZ 4.08Å; L170-F266 HydrophobicContact CD2-CZ 4.34Å; L170-T270 HydrophobicContact CD2-CG2 4.1Å; L170-L273 HydrophobicContact CD2-CD1 3.95Å; L170-Y443 HydrophobicContact CD1-CD1 3.53Å; L170-Y443 HydrophobicContact CD1-CD2 4.28Å; L170-Y443 HydrophobicContact CD1-CE1 4.12Å; L170-Y443 HydrophobicContact CD1-CG 3.63Å
171M95.9Very high94.6Very high5 Ų54.7 Ų4.73%0.0253%0.027CC..Hα-helixtrans-69.5-49.3-175.9-64.6-51.4-48.300111.5L167 F168 S174 G175 E228 P232 F235 Q250 L253 T270L167-M171 HydrophobicContact CD1-CG 3.97Å; L167-M171 HydrophobicContact CG-CG 4.45Å; L167-M171 WeakPolarHBondContact O-CG 3.47Å; L167-M171 PolarHBondContact O-N 3.41Å; F168-M171 PolarHBondContact O-N 3.04Å; M171-S174 PolarHBondContact O-N 3.49Å; M171-G175 PolarHBondContact O-N 2.76Å; M171-E228 CarbonylContact C-O 3.54Å; M171-E228 HydrophobicContact CE-CG 3.78Å; M171-E228 VanDerWaalsContact O-O 3.09Å; M171-P232 HydrophobicContact CB-CB 4.49Å; M171-P232 HydrophobicContact CB-CG 3.75Å; M171-F235 HydrophobicContact CG-CE2 4.35Å; M171-F235 HydrophobicContact CG-CZ 4.35Å; M171-Q250 PolarHBondContact SD-OE1 3.07Å; M171-L253 HydrophobicContact CE-CD2 4.03Å; M171-T270 HydrophobicContact SD-CG2 3.93Å
172F95.3Very high94.4Very high0 Ų012.4 Ų12.40%06%0.056CC..Hα-helixtrans-61.9-48.2-178.8-176.2-101.8000111.9F168 S174 G175 V176 E228 I229 F233 F412F168-F172 HydrophobicContact CE1-CB 4.46Å; F168-F172 HydrophobicContact CE2-CB 4.3Å; F168-F172 HydrophobicContact CE2-CG 4.48Å; F168-F172 HydrophobicContact CZ-CB 4.22Å; F168-F172 HydrophobicContact CZ-CD1 4.48Å; F168-F172 HydrophobicContact CZ-CD2 4.41Å; F168-F172 HydrophobicContact CZ-CG 4.12Å; F168-F172 WeakPolarHBondContact O-CB 3.38Å; F168-F172 PolarHBondContact O-N 2.95Å; F172-S174 VanDerWaalsContact C-N 3.32Å; F172-S174 PolarHBondContact O-N 2.97Å; F172-G175 PolarHBondContact O-N 3.31Å; F172-V176 HydrophobicContact CD1-CG2 4.15Å; F172-V176 HydrophobicContact CD2-CG2 4.28Å; F172-V176 HydrophobicContact CE1-CG2 3.79Å; F172-V176 HydrophobicContact CE2-CG2 3.91Å; F172-V176 HydrophobicContact CG-CG2 4.4Å; F172-V176 HydrophobicContact CZ-CG2 3.66Å; F172-V176 WeakPolarHBondContact O-CG2 3.43Å; F172-V176 PolarHBondContact O-N 2.9Å; F172-E228 VanDerWaalsContact CA-O 3.29Å; F172-E228 WeakPolarHBondContact CA-O 3.31Å; F172-I229 HydrophobicContact CE2-CG2 4.18Å; F172-F233 HydrophobicContact CD2-CE2 4.07Å; F172-F233 HydrophobicContact CD2-CZ 4.36Å; F172-F233 AromaticContact CE2-CE2 3.78Å; F172-F233 HydrophobicContact CE2-CE2 3.78Å; F172-F233 AromaticContact CE2-CZ 3.84Å; F172-F233 HydrophobicContact CE2-CZ 3.84Å; F172-F233 HydrophobicContact CZ-CZ 4.47Å; F172-F412 AromaticContact CD1-CE2 3.84Å; F172-F412 HydrophobicContact CD1-CE2 3.84Å; F172-F412 HydrophobicContact CD1-CZ 4.21Å; F172-F412 HydrophobicContact CE1-CE2 4.31Å; F172-F412 HydrophobicContact CE1-CZ 4.29Å
173A93.5Very high94.1Very high6 Ų612.6 Ų12.65%0.056%0.057CC..Hα-helixtrans-63.3-40.5178.100000111.1R169 G175 V176 V177 V415 Y443R169-A173 WeakPolarHBondContact O-CB 3.43Å; R169-A173 PolarHBondContact O-N 3.21Å; A173-G175 VanDerWaalsContact C-N 3.31Å; A173-G175 PolarHBondContact O-N 3.01Å; A173-V176 PolarHBondContact O-N 3.38Å; A173-V177 VanDerWaalsContact O-CG1 3.31Å; A173-V177 WeakPolarHBondContact O-CG1 3.42Å; A173-V177 WeakPolarHBondContact O-CG2 3.31Å; A173-V177 PolarHBondContact O-N 3.25Å; A173-V415 HydrophobicContact CB-CG2 4.11Å; A173-Y443 WeakPolarHBondContact CB-O 3.32Å
174S92.5Very high93.9Very high5 Ų517.9 Ų17.94%0.0359%0.091CC..Hα-helixtrans-61.7-35.6178.1-63.80000113.2L170 M171 F172 K178L170-S174 WeakPolarHBondContact O-CB 3.41Å; L170-S174 PolarHBondContact O-N 3.25Å; L170-S174 VanDerWaalsContact O-N 3.08Å; L170-S174 PolarHBondContact O-OG 3.29Å; M171-S174 PolarHBondContact O-N 3.49Å; F172-S174 VanDerWaalsContact C-N 3.32Å; F172-S174 PolarHBondContact O-N 2.97Å; S174-K178 WeakPolarHBondContact O-CG 3.35Å; S174-K178 PolarHBondContact O-NZ 3.11Å
175G93.8Very high93.8Very high0 Ų018.1 Ų18.10%09%0.094CC..Hα-helixtrans-74.7-47174.300000113M171 F172 A173 V177 K178 E228M171-G175 PolarHBondContact O-N 2.76Å; F172-G175 PolarHBondContact O-N 3.31Å; A173-G175 VanDerWaalsContact C-N 3.31Å; A173-G175 PolarHBondContact O-N 3.01Å; G175-V177 PolarHBondContact O-N 3.21Å; G175-K178 WeakPolarHBondContact O-CB 3.12Å; G175-K178 PolarHBondContact O-N 2.98Å; G175-E228 WeakPolarHBondContact CA-OE2 3.44Å
176V93.8Very high93.6Very high0 Ų018.3 Ų18.30%09%0.094CC..Hα-helixtrans-64.5-41.4-176.3173.50000111.9F172 A173 K178 L179 T180 F348 L352 V415F172-V176 HydrophobicContact CD1-CG2 4.15Å; F172-V176 HydrophobicContact CD2-CG2 4.28Å; F172-V176 HydrophobicContact CE1-CG2 3.79Å; F172-V176 HydrophobicContact CE2-CG2 3.91Å; F172-V176 HydrophobicContact CG-CG2 4.4Å; F172-V176 HydrophobicContact CZ-CG2 3.66Å; F172-V176 WeakPolarHBondContact O-CG2 3.43Å; F172-V176 PolarHBondContact O-N 2.9Å; A173-V176 PolarHBondContact O-N 3.38Å; V176-K178 PolarHBondContact O-N 3.16Å; V176-L179 PolarHBondContact O-N 3.08Å; V176-L179 VanDerWaalsContact O-N 3.14Å; V176-T180 HydrophobicContact CG1-CG2 3.72Å; V176-T180 WeakPolarHBondContact O-CG2 3.39Å; V176-T180 PolarHBondContact O-N 3.22Å; V176-T180 PolarHBondContact O-OG1 3.31Å; V176-F348 HydrophobicContact CG1-CE1 4.35Å; V176-F348 HydrophobicContact CG1-CZ 4.21Å; V176-L352 HydrophobicContact CB-CD2 4.39Å; V176-L352 HydrophobicContact CG1-CD1 3.58Å; V176-L352 HydrophobicContact CG1-CD2 3.57Å; V176-L352 HydrophobicContact CG1-CG 4.23Å; V176-L352 HydrophobicContact CG2-CD2 3.82Å; V176-V415 HydrophobicContact CB-CG1 4.02Å; V176-V415 HydrophobicContact CG1-CG1 3.38Å
177V91.8Very high93.5Very high5 Ų520 Ų203%0.0310%0.101CC..Hα-helixtrans-61.7-28.9-177.7-650000113.1A173 G175 L179 T180 S181 R447A173-V177 VanDerWaalsContact O-CG1 3.31Å; A173-V177 WeakPolarHBondContact O-CG1 3.42Å; A173-V177 WeakPolarHBondContact O-CG2 3.31Å; A173-V177 PolarHBondContact O-N 3.25Å; G175-V177 PolarHBondContact O-N 3.21Å; V177-L179 VanDerWaalsContact C-N 3.32Å; V177-L179 PolarHBondContact O-N 3Å; V177-T180 WeakPolarHBondContact CA-OG1 3.28Å; V177-T180 PolarHBondContact O-N 3.04Å; V177-T180 PolarHBondContact O-OG1 3.41Å; V177-S181 VanDerWaalsContact O-CB 3.31Å; V177-S181 WeakPolarHBondContact O-CB 3.49Å; V177-S181 PolarHBondContact O-N 2.86Å; V177-R447 HydrophobicContact CB-CB 4.47Å; V177-R447 HydrophobicContact CB-CG 4.26Å; V177-R447 HydrophobicContact CG2-CB 4.31Å
178K93.5Very high93.3Very high8 Ų821.7 Ų21.74%0.03512%0.118CC..Hα-helixtrans-63.1-40.9179-69.3175.5177.289.80110.9S174 G175 V176 S181 W186 F225 E228S174-K178 WeakPolarHBondContact O-CG 3.35Å; S174-K178 PolarHBondContact O-NZ 3.11Å; G175-K178 WeakPolarHBondContact O-CB 3.12Å; G175-K178 PolarHBondContact O-N 2.98Å; V176-K178 PolarHBondContact O-N 3.16Å; K178-S181 PolarHBondContact O-OG 3.04Å; K178-W186 HydrophobicContact CB-CD2 3.93Å; K178-W186 HydrophobicContact CB-CE3 4.42Å; K178-W186 HydrophobicContact CB-CG 3.99Å; K178-W186 HydrophobicContact CD-CD2 4.09Å; K178-W186 HydrophobicContact CD-CE3 4.05Å; K178-W186 HydrophobicContact CD-CH2 3.64Å; K178-W186 HydrophobicContact CD-CZ2 3.62Å; K178-W186 HydrophobicContact CD-CZ3 3.83Å; K178-W186 HydrophobicContact CG-CD2 4.13Å; K178-W186 HydrophobicContact CG-CH2 4.46Å; K178-W186 HydrophobicContact CG-CZ2 3.96Å; K178-F225 HydrophobicContact CB-CE1 3.92Å; K178-F225 HydrophobicContact CD-CE1 4.28Å; K178-E228 IonicContact NZ-OE1 2.63Å; K178-E228 PolarHBondContact NZ-OE1 3.47Å; K178-E228 IonicContact NZ-OE2 3.19Å; K178-E228 PolarHBondContact NZ-OE2 3.5Å
179L92.5Very high93.2Very high3 Ų321.6 Ų21.62%0.01612%0.118CC..Hα-helixtrans-80-40177.1-67.8174.1000112.4V176 V177 S181 R182 W187 F225 I229 F343 F348V176-L179 PolarHBondContact O-N 3.08Å; V176-L179 VanDerWaalsContact O-N 3.14Å; V177-L179 VanDerWaalsContact C-N 3.32Å; V177-L179 PolarHBondContact O-N 3Å; L179-S181 PolarHBondContact O-N 2.79Å; L179-R182 PolarHBondContact O-N 2.88Å; L179-W187 HydrophobicContact CB-CZ2 4.33Å; L179-W187 HydrophobicContact CD2-CD2 4.35Å; L179-W187 HydrophobicContact CD2-CZ2 4.31Å; L179-W187 PolarHBondContact O-NE1 2.7Å; L179-F225 HydrophobicContact CD1-CD1 4.33Å; L179-F225 HydrophobicContact CD1-CE1 4.16Å; L179-F225 HydrophobicContact CD2-CE1 3.93Å; L179-F225 HydrophobicContact CD2-CE2 4.18Å; L179-F225 HydrophobicContact CD2-CZ 3.6Å; L179-F225 HydrophobicContact CG-CD1 4.35Å; L179-F225 HydrophobicContact CG-CE1 3.7Å; L179-F225 HydrophobicContact CG-CZ 3.93Å; L179-I229 HydrophobicContact CD1-CD1 3.95Å; L179-F343 HydrophobicContact CD1-CE2 4.42Å; L179-F343 HydrophobicContact CD1-CZ 4.13Å; L179-F348 HydrophobicContact CB-CD1 3.91Å; L179-F348 HydrophobicContact CB-CE1 3.38Å; L179-F348 HydrophobicContact CB-CE2 4.37Å; L179-F348 HydrophobicContact CB-CZ 3.66Å; L179-F348 HydrophobicContact CD1-CD2 4.01Å; L179-F348 HydrophobicContact CD1-CE1 4.08Å; L179-F348 HydrophobicContact CD1-CE2 3.48Å; L179-F348 VanDerWaalsContact CD1-CE2 3.48Å; L179-F348 HydrophobicContact CD1-CZ 3.52Å; L179-F348 HydrophobicContact CG-CE1 4.38Å; L179-F348 HydrophobicContact CG-CZ 4.22Å
180T91.3Very high93.1Very high34 Ų3422.9 Ų22.921%0.20913%0.127CC..Hα-helixtrans-67.2-23179.263.10000113.1V176 V177 R182 F348 L352V176-T180 HydrophobicContact CG1-CG2 3.72Å; V176-T180 WeakPolarHBondContact O-CG2 3.39Å; V176-T180 PolarHBondContact O-N 3.22Å; V176-T180 PolarHBondContact O-OG1 3.31Å; V177-T180 WeakPolarHBondContact CA-OG1 3.28Å; V177-T180 PolarHBondContact O-N 3.04Å; V177-T180 PolarHBondContact O-OG1 3.41Å; T180-R182 PolarHBondContact O-N 3.38Å; T180-R182 VanDerWaalsContact O-N 3.14Å; T180-F348 HydrophobicContact CG2-CE1 3.93Å; T180-L352 HydrophobicContact CG2-CD1 3.57Å
181S88.9Confident93Very high8 Ų822.9 Ų22.96%0.05613%0.127CC..THydrogen-bonded Turntrans-60.7-18.8177.277.10000115.7V177 K178 L179 C183 R447 R448V177-S181 VanDerWaalsContact O-CB 3.31Å; V177-S181 WeakPolarHBondContact O-CB 3.49Å; V177-S181 PolarHBondContact O-N 2.86Å; K178-S181 PolarHBondContact O-OG 3.04Å; L179-S181 PolarHBondContact O-N 2.79Å; S181-C183 PolarHBondContact O-N 2.82Å; S181-C183 WeakPolarHBondContact OG-CB 3.3Å; S181-C183 PolarHBondContact OG-N 3.17Å; S181-R447 VanDerWaalsContact CB-CG 3.45Å; S181-R447 WeakPolarHBondContact CB-O 3.45Å; S181-R447 PolarHBondContact OG-O 3.47Å; S181-R448 PolarHBondContact O-NE 2.86Å; S181-R448 PolarHBondContact O-NH2 3.29Å
182R90.4Very high92.9Very high162 Ų16223.2 Ų23.261%0.61113%0.129SC*.THydrogen-bonded Turntrans56.225.2-168.6-55.4-173.8-174.5-179.64.6114.2L179 T180 P184 Y345L179-R182 PolarHBondContact O-N 2.88Å; T180-R182 PolarHBondContact O-N 3.38Å; T180-R182 VanDerWaalsContact O-N 3.14Å; R182-P184 WeakPolarHBondContact O-CD 3.26Å; R182-Y345 HydrophobicContact CG-CD2 3.8Å; R182-Y345 HydrophobicContact CG-CE2 3.54Å; R182-Y345 VanDerWaalsContact CZ-CE1 3.48Å; R182-Y345 VanDerWaalsContact NE-CE1 3.32Å; R182-Y345 PolarHBondContact NE-OH 3.36Å; R182-Y345 PolarHBondContact NH2-OH 3.46Å
183C90.3Very high92.9Very high9 Ų924.5 Ų24.56%0.06114%0.136CC..  trans-65.8123.4178.2-170.30000110.5S181 T185 W186 W187 R448 M449S181-C183 PolarHBondContact O-N 2.82Å; S181-C183 WeakPolarHBondContact OG-CB 3.3Å; S181-C183 PolarHBondContact OG-N 3.17Å; C183-T185 PolarHBondContact O-N 3.01Å; C183-T185 PolarHBondContact SG-OG1 3.23Å; C183-W186 HydrophobicContact CB-CB 4.31Å; C183-W186 HydrophobicContact CB-CG 4.38Å; C183-W186 PolarHBondContact O-N 3.16Å; C183-W187 PolarHBondContact O-N 2.85Å; C183-W187 VanDerWaalsContact O-N 3.15Å; C183-R448 HydrophobicContact CB-CG 4.28Å; C183-M449 PolarHBondContact SG-N 2.97Å
184P92.4Very high92.8Very high110 Ų11027.7 Ų27.771%0.71415%0.148SC*.Hα-helixtrans-59.1-31.7-177.6-26.835.2000114R182 G188R182-P184 WeakPolarHBondContact O-CD 3.26Å; P184-G188 WeakPolarHBondContact O-CA 3.3Å; P184-G188 PolarHBondContact O-N 3.16Å
185T93.2Very high92.9Very high11 Ų1128.3 Ų28.37%0.06715%0.15CC..Hα-helixtrans-73.9-37.9-179.255.20000112.6C183 G188 L189 T190 A191 Y194 M449 V452C183-T185 PolarHBondContact O-N 3.01Å; C183-T185 PolarHBondContact SG-OG1 3.23Å; T185-G188 PolarHBondContact O-N 3.33Å; T185-L189 PolarHBondContact O-N 2.75Å; T185-L189 VanDerWaalsContact O-N 3.1Å; T185-T190 PolarHBondContact O-N 3.5Å; T185-A191 PolarHBondContact O-N 3.35Å; T185-Y194 HydrophobicContact CG2-CD2 4.1Å; T185-Y194 HydrophobicContact CG2-CE2 4.01Å; T185-M449 VanDerWaalsContact OG1-CB 3.23Å; T185-M449 WeakPolarHBondContact OG1-CB 3.25Å; T185-V452 HydrophobicContact CG2-CG1 4.5Å; T185-V452 HydrophobicContact CG2-CG2 3.98Å
186W94.7Very high92.9Very high6 Ų629.7 Ų29.72%0.02316%0.156CC..Hα-helixtrans-65.6-45.6172.7-75.8127.5000111.1K178 C183 G188 L189 A191 V221 F225 F446K178-W186 HydrophobicContact CB-CD2 3.93Å; K178-W186 HydrophobicContact CB-CE3 4.42Å; K178-W186 HydrophobicContact CB-CG 3.99Å; K178-W186 HydrophobicContact CD-CD2 4.09Å; K178-W186 HydrophobicContact CD-CE3 4.05Å; K178-W186 HydrophobicContact CD-CH2 3.64Å; K178-W186 HydrophobicContact CD-CZ2 3.62Å; K178-W186 HydrophobicContact CD-CZ3 3.83Å; K178-W186 HydrophobicContact CG-CD2 4.13Å; K178-W186 HydrophobicContact CG-CH2 4.46Å; K178-W186 HydrophobicContact CG-CZ2 3.96Å; C183-W186 HydrophobicContact CB-CB 4.31Å; C183-W186 HydrophobicContact CB-CG 4.38Å; C183-W186 PolarHBondContact O-N 3.16Å; W186-G188 VanDerWaalsContact C-N 3.35Å; W186-G188 PolarHBondContact O-N 3.37Å; W186-L189 PolarHBondContact O-N 3.33Å; W186-A191 HydrophobicContact CD2-CB 3.45Å; W186-A191 VanDerWaalsContact CD2-CB 3.45Å; W186-A191 HydrophobicContact CE3-CB 3.28Å; W186-A191 HydrophobicContact CG-CB 4.19Å; W186-A191 HydrophobicContact CH2-CB 3.74Å; W186-A191 HydrophobicContact CZ2-CB 3.92Å; W186-A191 HydrophobicContact CZ3-CB 3.43Å; W186-A191 VanDerWaalsContact CZ3-CB 3.43Å; W186-V221 HydrophobicContact CE3-CG1 4.01Å; W186-V221 HydrophobicContact CZ3-CG1 4.07Å; W186-V221 HydrophobicContact CZ3-CG2 4.5Å; W186-F225 HydrophobicContact CB-CZ 4.35Å; W186-F225 HydrophobicContact CD2-CZ 4.48Å; W186-F225 HydrophobicContact CE3-CE1 4.36Å; W186-F225 HydrophobicContact CE3-CE2 4.46Å; W186-F225 AromaticContact CE3-CZ 3.8Å; W186-F225 HydrophobicContact CE3-CZ 3.8Å; W186-F446 HydrophobicContact CZ2-CB 4.34Å; W186-F446 PolarHBondContact NE1-O 3.11Å
187W94Very high92.8Very high35 Ų3530 Ų3013%0.13316%0.157CC..Hα-helixtrans-68.2-32.3176.5-80.591.8000113.1L179 C183 L189 T341 F343 Y345 F348L179-W187 HydrophobicContact CB-CZ2 4.33Å; L179-W187 HydrophobicContact CD2-CD2 4.35Å; L179-W187 HydrophobicContact CD2-CZ2 4.31Å; L179-W187 PolarHBondContact O-NE1 2.7Å; C183-W187 PolarHBondContact O-N 2.85Å; C183-W187 VanDerWaalsContact O-N 3.15Å; W187-L189 VanDerWaalsContact C-N 3.28Å; W187-L189 PolarHBondContact O-N 3.21Å; W187-T341 HydrophobicContact CE3-CG2 4.34Å; W187-T341 WeakPolarHBondContact O-CG2 3.35Å; W187-T341 PolarHBondContact O-OG1 3.12Å; W187-F343 AromaticContact CH2-CD2 3.71Å; W187-F343 HydrophobicContact CH2-CD2 3.71Å; W187-F343 AromaticContact CH2-CE2 3.37Å; W187-F343 HydrophobicContact CH2-CE2 3.37Å; W187-F343 HydrophobicContact CH2-CZ 4.4Å; W187-F343 HydrophobicContact CZ2-CE2 4.4Å; W187-F343 AromaticContact CZ3-CD2 3.67Å; W187-F343 HydrophobicContact CZ3-CD2 3.67Å; W187-F343 AromaticContact CZ3-CE2 3.43Å; W187-F343 HydrophobicContact CZ3-CE2 3.43Å; W187-F343 VanDerWaalsContact CZ3-CE2 3.43Å; W187-F343 HydrophobicContact CZ3-CZ 4.19Å; W187-F343 WeakPolarHBondContact CZ3-O 3.46Å; W187-Y345 AromaticContact CZ2-CD2 3.86Å; W187-Y345 HydrophobicContact CZ2-CD2 3.86Å; W187-Y345 HydrophobicContact CZ2-CG 4.46Å; W187-F348 HydrophobicContact CH2-CB 4.06Å
188G93.5Very high92.8Very high36 Ų3629.8 Ų29.837%0.37116%0.156SC..THydrogen-bonded Turntrans-82.20.9175.200000114.7P184 T185 W186 T190P184-G188 WeakPolarHBondContact O-CA 3.3Å; P184-G188 PolarHBondContact O-N 3.16Å; T185-G188 PolarHBondContact O-N 3.33Å; W186-G188 VanDerWaalsContact C-N 3.35Å; W186-G188 PolarHBondContact O-N 3.37Å; G188-T190 PolarHBondContact O-N 3.35Å
189L94.8Very high92.8Very high0 Ų029.5 Ų29.50%015%0.154CC..THydrogen-bonded Turntrans58.819.2-175.3-51.3176.3000114.4T185 W186 W187 K218 V221 V222 F225 F326 T341T185-L189 PolarHBondContact O-N 2.75Å; T185-L189 VanDerWaalsContact O-N 3.1Å; W186-L189 PolarHBondContact O-N 3.33Å; W187-L189 VanDerWaalsContact C-N 3.28Å; W187-L189 PolarHBondContact O-N 3.21Å; L189-K218 HydrophobicContact CB-CB 4.19Å; L189-K218 HydrophobicContact CB-CG 4.14Å; L189-K218 VanDerWaalsContact O-CA 3.3Å; L189-K218 WeakPolarHBondContact O-CA 3.21Å; L189-K218 WeakPolarHBondContact O-CG 3.4Å; L189-V221 HydrophobicContact CB-CB 4.47Å; L189-V221 HydrophobicContact CB-CG1 4.37Å; L189-V221 HydrophobicContact CD2-CG1 3.85Å; L189-V221 WeakPolarHBondContact O-CG2 3.34Å; L189-V222 HydrophobicContact CD1-CG2 3.87Å; L189-V222 HydrophobicContact CD2-CG2 4.22Å; L189-F225 HydrophobicContact CD2-CD2 4.27Å; L189-F225 HydrophobicContact CD2-CE2 3.91Å; L189-F326 HydrophobicContact CD1-CD1 4.11Å; L189-F326 HydrophobicContact CD2-CD1 3.93Å; L189-F326 HydrophobicContact CD2-CE1 3.92Å; L189-T341 HydrophobicContact CD2-CG2 3.88Å; L189-T341 HydrophobicContact CG-CG2 4.15Å
190T94.1Very high92.7Very high37 Ų3729.4 Ų29.423%0.22715%0.154CC..  trans-102.65.3-178.250.50000113.2T185 G188 L192 T193 Y194T185-T190 PolarHBondContact O-N 3.5Å; G188-T190 PolarHBondContact O-N 3.35Å; T190-L192 VanDerWaalsContact C-N 3.29Å; T190-L192 PolarHBondContact O-N 3.14Å; T190-T193 WeakPolarHBondContact O-CB 3.26Å; T190-T193 PolarHBondContact O-N 3.38Å; T190-T193 PolarHBondContact O-OG1 3.23Å; T190-Y194 WeakPolarHBondContact O-CD2 3.21Å
191A93.9Very high92.8Very high0 Ų027.9 Ų27.90%015%0.145CC..Hα-helixtrans-54.3-42.5-176.800000113.6T185 W186 T193 Y194 H195 V221 M449T185-A191 PolarHBondContact O-N 3.35Å; W186-A191 HydrophobicContact CD2-CB 3.45Å; W186-A191 VanDerWaalsContact CD2-CB 3.45Å; W186-A191 HydrophobicContact CE3-CB 3.28Å; W186-A191 HydrophobicContact CG-CB 4.19Å; W186-A191 HydrophobicContact CH2-CB 3.74Å; W186-A191 HydrophobicContact CZ2-CB 3.92Å; W186-A191 HydrophobicContact CZ3-CB 3.43Å; W186-A191 VanDerWaalsContact CZ3-CB 3.43Å; A191-T193 VanDerWaalsContact C-N 3.26Å; A191-T193 PolarHBondContact O-N 2.85Å; A191-Y194 PolarHBondContact O-N 2.99Å; A191-Y194 VanDerWaalsContact O-N 3.11Å; A191-H195 PolarHBondContact O-N 3.08Å; A191-V221 HydrophobicContact CB-CG2 4.32Å; A191-M449 HydrophobicContact CB-SD 4.42Å
192L93.8Very high93.1Very high13 Ų1327.6 Ų27.67%0.06814%0.142CC..Hα-helixtrans-70.5-16.9179.8-68.8179.7000114.4T190 Y194 H195 Y196 Q217 V221T190-L192 VanDerWaalsContact C-N 3.29Å; T190-L192 PolarHBondContact O-N 3.14Å; L192-Y194 PolarHBondContact O-N 3.35Å; L192-H195 HydrophobicContact CD2-CB 3.78Å; L192-Y196 HydrophobicContact CB-CE2 4.34Å; L192-Y196 VanDerWaalsContact O-CD2 3.27Å; L192-Y196 WeakPolarHBondContact O-CD2 3.46Å; L192-Q217 HydrophobicContact CB-CB 4.49Å; L192-V221 HydrophobicContact CB-CG2 3.88Å; L192-V221 HydrophobicContact CD1-CG2 3.89Å; L192-V221 HydrophobicContact CG-CG2 3.6Å
193T93.3Very high93.4Very high26 Ų2620 Ų2016%0.1611%0.114CC..Hα-helixtrans-66.5-23.5171.771.20000111.6T190 A191 H210 V214 Q217T190-T193 WeakPolarHBondContact O-CB 3.26Å; T190-T193 PolarHBondContact O-N 3.38Å; T190-T193 PolarHBondContact O-OG1 3.23Å; A191-T193 VanDerWaalsContact C-N 3.26Å; A191-T193 PolarHBondContact O-N 2.85Å; T193-H210 PolarHBondContact O-CE1 2.95Å; T193-H210 PolarHBondContact O-ND1 3.39Å; T193-H210 VanDerWaalsContact O-ND1 3.16Å; T193-V214 HydrophobicContact CG2-CG1 4.34Å; T193-Q217 HydrophobicContact CG2-CB 3.74Å; T193-Q217 HydrophobicContact CG2-CG 4.03Å
194Y93.1Very high93.6Very high73 Ų7321.4 Ų21.429%0.28612%0.123SC..Hα-helixtrans-104.2-31.2177.4-58.3-79.6000112.3T185 T190 A191 L192 Y196 E197 T198 V452T185-Y194 HydrophobicContact CG2-CD2 4.1Å; T185-Y194 HydrophobicContact CG2-CE2 4.01Å; T190-Y194 WeakPolarHBondContact O-CD2 3.21Å; A191-Y194 PolarHBondContact O-N 2.99Å; A191-Y194 VanDerWaalsContact O-N 3.11Å; L192-Y194 PolarHBondContact O-N 3.35Å; Y194-Y196 PolarHBondContact O-N 3.37Å; Y194-E197 PolarHBondContact O-N 3.04Å; Y194-E197 VanDerWaalsContact O-N 3.11Å; Y194-T198 WeakPolarHBondContact O-CG2 3.28Å; Y194-T198 PolarHBondContact O-N 3.17Å; Y194-T198 PolarHBondContact O-OG1 3.25Å; Y194-V452 HydrophobicContact CE1-CG1 4.26Å
195H93.4Very high93.7Very high18 Ų1820 Ų208%0.08311%0.109CC..Hα-helixtrans-53-47.5-170.6-17668.3000115.1A191 L192 E197 T198 Q199 Y263 M449A191-H195 PolarHBondContact O-N 3.08Å; L192-H195 HydrophobicContact CD2-CB 3.78Å; H195-E197 PolarHBondContact O-N 3.36Å; H195-T198 PolarHBondContact O-N 3.08Å; H195-Q199 WeakPolarHBondContact O-CB 3.46Å; H195-Q199 WeakPolarHBondContact O-CG 3.3Å; H195-Q199 PolarHBondContact O-N 2.92Å; H195-Y263 PolarHBondContact CE1-OH 3.42Å; H195-Y263 PolarHBondContact NE2-OH 2.84Å; H195-M449 HydrophobicContact CB-CE 3.94Å; H195-M449 HydrophobicContact CB-SD 4.19Å
196Y93.8Very high93.8Very high30 Ų3019.5 Ų19.512%0.11811%0.106CC..Hα-helixtrans-61.7-31.6-177.3-62.5-60.6000113.2L192 Y194 Q199 A206 A209 F557L192-Y196 HydrophobicContact CB-CE2 4.34Å; L192-Y196 VanDerWaalsContact O-CD2 3.27Å; L192-Y196 WeakPolarHBondContact O-CD2 3.46Å; Y194-Y196 PolarHBondContact O-N 3.37Å; Y196-Q199 WeakPolarHBondContact O-CG 3.49Å; Y196-Q199 PolarHBondContact O-NE2 3.3Å; Y196-A206 WeakPolarHBondContact CB-O 3.49Å; Y196-A206 WeakPolarHBondContact O-CB 3.48Å; Y196-A209 HydrophobicContact CD1-CB 3.93Å; Y196-A209 HydrophobicContact CD2-CB 4.04Å; Y196-A209 HydrophobicContact CE1-CB 3.82Å; Y196-A209 HydrophobicContact CE2-CB 3.92Å; Y196-A209 HydrophobicContact CG-CB 4.04Å; Y196-F557 WeakPolarHBondContact O-CE2 3.36Å
197E92.7Very high93.8Very high5 Ų519.6 Ų19.62%0.02311%0.107CC..Hα-helixtrans-84.8-42.1179.7-178.8-176.69100111.9Y194 H195 H210 R455 W556 F557 W571Y194-E197 PolarHBondContact O-N 3.04Å; Y194-E197 VanDerWaalsContact O-N 3.11Å; H195-E197 PolarHBondContact O-N 3.36Å; E197-H210 IonicContact OE2-NE2 2.72Å; E197-R455 WeakPolarHBondContact O-CD 3.32Å; E197-R455 PolarHBondContact O-NH1 3.21Å; E197-W556 WeakPolarHBondContact OE2-CA 3.42Å; E197-W556 WeakPolarHBondContact OE2-CB 3.08Å; E197-F557 VanDerWaalsContact CA-CE2 3.46Å; E197-F557 HydrophobicContact CB-CD2 3.76Å; E197-F557 HydrophobicContact CB-CE2 3.9Å; E197-F557 HydrophobicContact CG-CD2 4.07Å; E197-F557 HydrophobicContact CG-CE2 4.43Å; E197-F557 HydrophobicContact CG-CG 4.34Å; E197-F557 PolarHBondContact OE2-N 3.32Å; E197-W571 HydrophobicContact CG-CZ3 4.07Å
198T92.3Very high93.8Very high1 Ų122.4 Ų22.41%0.00612%0.12CC..Hα-helixtrans-94.5-8.2-167.870.60000114.6Y194 H195 M449 T450 G451 R455 W500Y194-T198 WeakPolarHBondContact O-CG2 3.28Å; Y194-T198 PolarHBondContact O-N 3.17Å; Y194-T198 PolarHBondContact O-OG1 3.25Å; H195-T198 PolarHBondContact O-N 3.08Å; T198-M449 WeakPolarHBondContact OG1-CE 3.22Å; T198-T450 VanDerWaalsContact CB-O 3.26Å; T198-T450 WeakPolarHBondContact CB-O 3.39Å; T198-T450 WeakPolarHBondContact CG2-O 3.32Å; T198-T450 PolarHBondContact OG1-O 2.9Å; T198-G451 WeakPolarHBondContact CG2-O 3.31Å; T198-R455 HydrophobicContact CG2-CB 4.21Å; T198-W500 WeakPolarHBondContact O-CZ2 3.39Å; T198-W500 PolarHBondContact O-NE1 3.43Å
199Q91.8Very high93.8Very high2 Ų221.3 Ų21.31%0.00911%0.108CC..SBendtrans-55.7151.7172.157.5176.5-36.900113H195 Y196 I201 P202 S260 R455H195-Q199 WeakPolarHBondContact O-CB 3.46Å; H195-Q199 WeakPolarHBondContact O-CG 3.3Å; H195-Q199 PolarHBondContact O-N 2.92Å; Y196-Q199 WeakPolarHBondContact O-CG 3.49Å; Y196-Q199 PolarHBondContact O-NE2 3.3Å; Q199-I201 PolarHBondContact O-N 3.24Å; Q199-P202 HydrophobicContact CG-CB 3.89Å; Q199-S260 PolarHBondContact NE2-O 3.42Å; Q199-S260 PolarHBondContact OE1-O 2.87Å; Q199-R455 PolarHBondContact O-NH1 3.31Å; Q199-R455 PolarHBondContact O-NH2 3.08Å
200C90.8Very high93.8Very high2 Ų223.6 Ų23.61%0.01412%0.118CC..SBendtrans-54.6-51.1-170.4-171.30000115.3R455 W497 W500C200-R455 PolarHBondContact O-NH2 2.99Å; C200-W497 HydrophobicContact CB-CD2 3.68Å; C200-W497 HydrophobicContact CB-CE3 3.56Å; C200-W497 HydrophobicContact CB-CG 4.45Å; C200-W497 HydrophobicContact CB-CH2 3.79Å; C200-W497 HydrophobicContact CB-CZ2 3.85Å; C200-W497 HydrophobicContact CB-CZ3 3.63Å; C200-W497 VanDerWaalsContact SG-CA 3.53Å; C200-W497 VanDerWaalsContact SG-CE3 3.57Å; C200-W500 HydrophobicContact CB-CB 4.43Å; C200-W500 HydrophobicContact CB-CD2 4.08Å; C200-W500 HydrophobicContact CB-CE3 4.47Å; C200-W500 HydrophobicContact CB-CG 4.06Å; C200-W500 WeakPolarHBondContact SG-CB 3.4Å
201I94.3Very high93.7Very high2 Ų224.7 Ų24.71%0.0112%0.121CC..SBendtrans-135.491.3179.3-54.9178.1000108Q199 N262 P486 V488 P493 D496Q199-I201 PolarHBondContact O-N 3.24Å; I201-N262 HydrophobicContact CB-CB 4.07Å; I201-N262 HydrophobicContact CG2-CB 4.07Å; I201-N262 WeakPolarHBondContact O-CB 3.26Å; I201-N262 PolarHBondContact O-N 3.01Å; I201-N262 PolarHBondContact O-ND2 3.29Å; I201-P486 HydrophobicContact CG2-CG 4.29Å; I201-V488 HydrophobicContact CG2-CG2 4.36Å; I201-P493 HydrophobicContact CD1-CB 4.23Å; I201-P493 HydrophobicContact CD1-CG 3.8Å; I201-D496 HydrophobicContact CD1-CB 4.18Å
202P95.4Very high93.7Very high1 Ų128 Ų281%0.00614%0.138CC..BIsolated β-bridgetrans-67.2156.617925.9-30.2000111.5Q199 A206 N262 P478 P485 F557 W571Q199-P202 HydrophobicContact CG-CB 3.89Å; P202-A206 HydrophobicContact CB-CB 3.68Å; P202-N262 PolarHBondContact O-ND2 3.06Å; P202-P478 HydrophobicContact CG-CG 4.46Å; P202-P485 HydrophobicContact CB-CB 4.39Å; P202-P485 HydrophobicContact CG-CB 4.11Å; P202-P485 HydrophobicContact CG-CG 4.34Å; P202-P485 WeakPolarHBondContact O-CB 3.42Å; P202-F557 HydrophobicContact CB-CZ 4.07Å; P202-F557 HydrophobicContact CG-CZ 4.22Å; P202-W571 HydrophobicContact CG-CH2 3.85Å; P202-W571 HydrophobicContact CG-CZ2 3.8Å
203T95.4Very high93.7Very high4 Ų430.6 Ų30.63%0.02516%0.156CC..  trans-94.3171.2167.566.10000110.2L205 A206 L259 S260 V487T203-L205 PolarHBondContact O-N 2.86Å; T203-L205 PolarHBondContact OG1-N 2.63Å; T203-A206 WeakPolarHBondContact O-CB 3.35Å; T203-A206 PolarHBondContact O-N 3.43Å; T203-A206 VanDerWaalsContact O-N 3.08Å; T203-L259 WeakPolarHBondContact CB-O 3.36Å; T203-L259 PolarHBondContact OG1-O 2.69Å; T203-S260 PolarHBondContact N-O 2.91Å; T203-S260 VanDerWaalsContact OG1-CA 3.32Å; T203-S260 WeakPolarHBondContact OG1-CA 3.49Å; T203-S260 PolarHBondContact OG1-O 3.45Å; T203-V487 HydrophobicContact CG2-CG2 4.42Å
204P94.3Very high93.7Very high38 Ų3833.4 Ų33.425%0.24717%0.172CC..Hα-helixtrans-57.1-34.6172.2-25.635.1000113A206 W207 F208 P485 W570P204-A206 PolarHBondContact O-N 2.82Å; P204-W207 WeakPolarHBondContact O-CB 3.34Å; P204-W207 PolarHBondContact O-N 2.79Å; P204-W207 VanDerWaalsContact O-N 3.15Å; P204-F208 WeakPolarHBondContact O-CD2 3.48Å; P204-P485 WeakPolarHBondContact CD-O 3.47Å; P204-P485 WeakPolarHBondContact CG-O 3.5Å; P204-W570 HydrophobicContact CB-CH2 4.24Å; P204-W570 HydrophobicContact CB-CZ3 4.33Å
205L94.9Very high93.7Very high80 Ų8033.7 Ų33.742%0.41917%0.173SC..Hα-helixtrans-64.8-26.6179.3-165.969.2000112.2T203 W207 F208 A209 L259T203-L205 PolarHBondContact O-N 2.86Å; T203-L205 PolarHBondContact OG1-N 2.63Å; L205-W207 PolarHBondContact O-N 2.97Å; L205-F208 HydrophobicContact CD1-CB 4.35Å; L205-F208 HydrophobicContact CD1-CD2 4.48Å; L205-F208 PolarHBondContact O-N 2.98Å; L205-A209 WeakPolarHBondContact O-CB 3.42Å; L205-A209 PolarHBondContact O-N 3.35Å; L205-L259 WeakPolarHBondContact CB-O 3.38Å; L205-L259 HydrophobicContact CD2-CB 3.59Å; L205-L259 HydrophobicContact CD2-CD1 4.43Å
206A95.3Very high93.7Very high0 Ų038.3 Ų38.30%019%0.19CC..Hα-helixtrans-55.8-40.7174.700000111.9Y196 P202 T203 P204 A209 H210 S260 F557Y196-A206 WeakPolarHBondContact CB-O 3.49Å; Y196-A206 WeakPolarHBondContact O-CB 3.48Å; P202-A206 HydrophobicContact CB-CB 3.68Å; T203-A206 WeakPolarHBondContact O-CB 3.35Å; T203-A206 PolarHBondContact O-N 3.43Å; T203-A206 VanDerWaalsContact O-N 3.08Å; P204-A206 PolarHBondContact O-N 2.82Å; A206-A209 PolarHBondContact O-N 2.95Å; A206-H210 VanDerWaalsContact O-CB 3.27Å; A206-H210 WeakPolarHBondContact O-CB 3.05Å; A206-H210 PolarHBondContact O-N 3.19Å; A206-S260 VanDerWaalsContact CB-O 3.28Å; A206-S260 WeakPolarHBondContact CB-O 3.36Å; A206-F557 HydrophobicContact CB-CE2 4.18Å; A206-F557 HydrophobicContact CB-CZ 4.03Å
207W94.7Very high93.8Very high9 Ų937 Ų373%0.03419%0.185CC..Hα-helixtrans-62-49177.8-177.990.4000110.4P204 L205 A209 H210 Q211 F557 T558 P560 F566 P567 W570P204-W207 WeakPolarHBondContact O-CB 3.34Å; P204-W207 PolarHBondContact O-N 2.79Å; P204-W207 VanDerWaalsContact O-N 3.15Å; L205-W207 PolarHBondContact O-N 2.97Å; W207-A209 PolarHBondContact O-N 2.83Å; W207-H210 WeakPolarHBondContact O-CB 3.46Å; W207-H210 PolarHBondContact O-N 2.99Å; W207-Q211 HydrophobicContact CD2-CG 4.4Å; W207-Q211 HydrophobicContact CE3-CG 4.34Å; W207-Q211 HydrophobicContact CH2-CG 4.12Å; W207-Q211 HydrophobicContact CZ2-CG 4.17Å; W207-Q211 HydrophobicContact CZ3-CG 4.2Å; W207-Q211 WeakPolarHBondContact O-CG 3.33Å; W207-Q211 PolarHBondContact O-N 2.87Å; W207-F557 HydrophobicContact CB-CD1 4.42Å; W207-F557 HydrophobicContact CB-CE1 4.33Å; W207-F557 HydrophobicContact CB-CE2 4.49Å; W207-F557 HydrophobicContact CB-CZ 4.39Å; W207-F557 AromaticContact CD1-CD1 3.67Å; W207-F557 AromaticContact CD1-CG 3.64Å; W207-F557 HydrophobicContact CG-CD1 4.46Å; W207-F557 HydrophobicContact CG-CG 4.45Å; W207-T558 PolarHBondContact NE1-O 2.84Å; W207-T558 PolarHBondContact NE1-OG1 2.97Å; W207-P560 HydrophobicContact CH2-CG 4.1Å; W207-P560 HydrophobicContact CZ2-CG 4.28Å; W207-F566 HydrophobicContact CH2-CD1 4.01Å; W207-F566 HydrophobicContact CH2-CE1 4.34Å; W207-F566 HydrophobicContact CZ3-CD1 4.11Å; W207-F566 HydrophobicContact CZ3-CE1 4.1Å; W207-P567 HydrophobicContact CZ2-CG 3.8Å; W207-W570 HydrophobicContact CB-CE3 4.04Å; W207-W570 HydrophobicContact CB-CZ3 3.86Å; W207-W570 HydrophobicContact CD2-CZ3 4.37Å; W207-W570 HydrophobicContact CG-CE3 4.01Å; W207-W570 HydrophobicContact CG-CZ3 4.05Å
208F93.3Very high93.9Very high93 Ų9339.5 Ų39.541%0.40820%0.196SC..Hα-helixtrans-62.8-42.6178-65.2-80.7000112.3P204 L205 H210 Q211 F566 W570P204-F208 WeakPolarHBondContact O-CD2 3.48Å; L205-F208 HydrophobicContact CD1-CB 4.35Å; L205-F208 HydrophobicContact CD1-CD2 4.48Å; L205-F208 PolarHBondContact O-N 2.98Å; F208-H210 VanDerWaalsContact C-N 3.28Å; F208-H210 PolarHBondContact O-N 2.82Å; F208-Q211 PolarHBondContact O-N 2.87Å; F208-F566 AromaticContact CE1-CE1 3.82Å; F208-F566 HydrophobicContact CE1-CE1 3.82Å; F208-F566 HydrophobicContact CE1-CZ 4.37Å; F208-W570 HydrophobicContact CE2-CH2 4.39Å
209A94.8Very high94.1Very high14 Ų1442.3 Ų42.312%0.11621%0.21CC..Hα-helixtrans-63.8-35.7176.600000111.6Y196 L205 A206 W207 Q211 L212 Q217Y196-A209 HydrophobicContact CD1-CB 3.93Å; Y196-A209 HydrophobicContact CD2-CB 4.04Å; Y196-A209 HydrophobicContact CE1-CB 3.82Å; Y196-A209 HydrophobicContact CE2-CB 3.92Å; Y196-A209 HydrophobicContact CG-CB 4.04Å; L205-A209 WeakPolarHBondContact O-CB 3.42Å; L205-A209 PolarHBondContact O-N 3.35Å; A206-A209 PolarHBondContact O-N 2.95Å; W207-A209 PolarHBondContact O-N 2.83Å; A209-Q211 VanDerWaalsContact C-N 3.29Å; A209-Q211 PolarHBondContact O-N 3.3Å; A209-L212 WeakPolarHBondContact O-CB 3.32Å; A209-L212 WeakPolarHBondContact O-CG 3.21Å; A209-L212 PolarHBondContact O-N 2.8Å; A209-Q217 PolarHBondContact O-NE2 3.31Å
210H94.3Very high94.2Very high47 Ų4743.8 Ų43.822%0.21822%0.221CC..Hα-helixtrans-63.9-32.6176.5-174.878.4000112.6T193 E197 A206 W207 F208 L212 F557T193-H210 PolarHBondContact O-CE1 2.95Å; T193-H210 PolarHBondContact O-ND1 3.39Å; T193-H210 VanDerWaalsContact O-ND1 3.16Å; E197-H210 IonicContact OE2-NE2 2.72Å; A206-H210 VanDerWaalsContact O-CB 3.27Å; A206-H210 WeakPolarHBondContact O-CB 3.05Å; A206-H210 PolarHBondContact O-N 3.19Å; W207-H210 WeakPolarHBondContact O-CB 3.46Å; W207-H210 PolarHBondContact O-N 2.99Å; F208-H210 VanDerWaalsContact C-N 3.28Å; F208-H210 PolarHBondContact O-N 2.82Å; H210-L212 PolarHBondContact O-N 2.67Å; H210-F557 HydrophobicContact CB-CD2 3.85Å; H210-F557 HydrophobicContact CB-CE2 4.24Å; H210-F557 AromaticContact CG-CD2 3.83Å
211Q92.8Very high94.5Very high61 Ų6143.7 Ų43.729%0.28522%0.22SC..THydrogen-bonded Turntrans-73.4-6.7178.2-53.6-48-32.500114.2W207 F208 A209 T558 P560W207-Q211 HydrophobicContact CD2-CG 4.4Å; W207-Q211 HydrophobicContact CE3-CG 4.34Å; W207-Q211 HydrophobicContact CH2-CG 4.12Å; W207-Q211 HydrophobicContact CZ2-CG 4.17Å; W207-Q211 HydrophobicContact CZ3-CG 4.2Å; W207-Q211 WeakPolarHBondContact O-CG 3.33Å; W207-Q211 PolarHBondContact O-N 2.87Å; F208-Q211 PolarHBondContact O-N 2.87Å; A209-Q211 VanDerWaalsContact C-N 3.29Å; A209-Q211 PolarHBondContact O-N 3.3Å; Q211-T558 PolarHBondContact NE2-O 2.94Å; Q211-T558 VanDerWaalsContact NE2-O 3.11Å; Q211-P560 HydrophobicContact CG-CG 3.98Å
212L93.3Very high94.6Very high69 Ų6943.8 Ų43.836%0.36122%0.221SC..SBendtrans-65.2144.5178.8-67.4170000111.3A209 H210A209-L212 WeakPolarHBondContact O-CB 3.32Å; A209-L212 WeakPolarHBondContact O-CG 3.21Å; A209-L212 PolarHBondContact O-N 2.8Å; H210-L212 PolarHBondContact O-N 2.67Å
213P93.4Very high94.7Very high68 Ų6845 Ų4544%0.44223%0.234SC..  trans-55147-179.3-26.634.4000113.3W215 W216 Q217P213-W215 HydrophobicContact CB-CG 4.39Å; P213-W215 PolarHBondContact O-N 3.16Å; P213-W215 VanDerWaalsContact O-N 3.11Å; P213-W216 WeakPolarHBondContact O-CA 3.37Å; P213-W216 VanDerWaalsContact O-CB 3.31Å; P213-W216 WeakPolarHBondContact O-CB 3.25Å; P213-W216 PolarHBondContact O-N 3.37Å; P213-Q217 PolarHBondContact O-N 3.31Å
214V93.3Very high94.7Very high84 Ų8445.7 Ų45.751%0.50924%0.238SC..Hα-helixtrans-56.2-35.3-176.6178.80000113T193 W216 Q217 K218T193-V214 HydrophobicContact CG2-CG1 4.34Å; V214-W216 VanDerWaalsContact C-N 3.29Å; V214-W216 PolarHBondContact O-N 2.74Å; V214-Q217 PolarHBondContact O-N 3.41Å; V214-K218 HydrophobicContact CG1-CD 4.48Å; V214-K218 HydrophobicContact CG1-CG 4.42Å; V214-K218 WeakPolarHBondContact O-CG 3.49Å; V214-K218 PolarHBondContact O-N 2.98Å
215W93.3Very high94.8Very high80 Ų8044 Ų4430%0.30323%0.227SC..Hα-helixtrans-63.3-36.4177.671.1-99000112P213 K218 L219 A336 V337P213-W215 HydrophobicContact CB-CG 4.39Å; P213-W215 PolarHBondContact O-N 3.16Å; P213-W215 VanDerWaalsContact O-N 3.11Å; W215-K218 PolarHBondContact O-N 3.04Å; W215-L219 HydrophobicContact CZ3-CD2 4.5Å; W215-L219 WeakPolarHBondContact O-CB 3.36Å; W215-L219 PolarHBondContact O-N 3.39Å; W215-A336 HydrophobicContact CB-CB 4.28Å; W215-A336 HydrophobicContact CG-CB 4.02Å; W215-V337 HydrophobicContact CE3-CB 4.24Å; W215-V337 HydrophobicContact CE3-CG2 4.29Å; W215-V337 HydrophobicContact CZ3-CG2 4.28Å
216W94.7Very high94.9Very high115 Ų11541.4 Ų41.444%0.43621%0.214SC..Hα-helixtrans-68.9-39.4176.1-173.6-89.1000111.2P213 V214 L219 S220P213-W216 WeakPolarHBondContact O-CA 3.37Å; P213-W216 VanDerWaalsContact O-CB 3.31Å; P213-W216 WeakPolarHBondContact O-CB 3.25Å; P213-W216 PolarHBondContact O-N 3.37Å; V214-W216 VanDerWaalsContact C-N 3.29Å; V214-W216 PolarHBondContact O-N 2.74Å; W216-L219 PolarHBondContact O-N 3.17Å; W216-S220 WeakPolarHBondContact O-CB 3.45Å; W216-S220 PolarHBondContact O-N 2.96Å; W216-S220 PolarHBondContact O-OG 2.69Å
217Q94.9Very high95Very high2 Ų242.5 Ų42.51%0.00922%0.22CC..Hα-helixtrans-63.5-43.6175.7-58.7-65.56.900112.1L192 T193 A209 P213 V214 S220 V221L192-Q217 HydrophobicContact CB-CB 4.49Å; T193-Q217 HydrophobicContact CG2-CB 3.74Å; T193-Q217 HydrophobicContact CG2-CG 4.03Å; A209-Q217 PolarHBondContact O-NE2 3.31Å; P213-Q217 PolarHBondContact O-N 3.31Å; V214-Q217 PolarHBondContact O-N 3.41Å; Q217-S220 WeakPolarHBondContact O-CB 3.39Å; Q217-S220 PolarHBondContact O-N 2.97Å; Q217-V221 WeakPolarHBondContact O-CG2 3.2Å; Q217-V221 PolarHBondContact O-N 3.45Å
218K95.4Very high95.1Very high58 Ų5842.8 Ų42.825%0.25222%0.221SC..Hα-helixtrans-61.3-44.9175.3-71.4-178169.3-1690112.1L189 V214 W215 S220 V221 V222 S339L189-K218 HydrophobicContact CB-CB 4.19Å; L189-K218 HydrophobicContact CB-CG 4.14Å; L189-K218 VanDerWaalsContact O-CA 3.3Å; L189-K218 WeakPolarHBondContact O-CA 3.21Å; L189-K218 WeakPolarHBondContact O-CG 3.4Å; V214-K218 HydrophobicContact CG1-CD 4.48Å; V214-K218 HydrophobicContact CG1-CG 4.42Å; V214-K218 WeakPolarHBondContact O-CG 3.49Å; V214-K218 PolarHBondContact O-N 2.98Å; W215-K218 PolarHBondContact O-N 3.04Å; K218-S220 VanDerWaalsContact C-N 3.28Å; K218-S220 PolarHBondContact O-N 3.47Å; K218-V221 PolarHBondContact O-N 3.27Å; K218-V222 WeakPolarHBondContact O-CG2 3.36Å; K218-V222 PolarHBondContact O-N 2.89Å; K218-V222 VanDerWaalsContact O-N 3.08Å; K218-S339 VanDerWaalsContact CB-OG 3.31Å; K218-S339 WeakPolarHBondContact CB-OG 3.46Å
219L95Very high95.2Very high59 Ų5939.1 Ų39.131%0.30921%0.206SC..Hα-helixtrans-62.2-38.4175.4-174.863.9000111.7W215 W216 V221 V222 G223W215-L219 HydrophobicContact CZ3-CD2 4.5Å; W215-L219 WeakPolarHBondContact O-CB 3.36Å; W215-L219 PolarHBondContact O-N 3.39Å; W216-L219 PolarHBondContact O-N 3.17Å; L219-V221 VanDerWaalsContact C-N 3.35Å; L219-V221 PolarHBondContact O-N 2.94Å; L219-V222 WeakPolarHBondContact O-CB 3.43Å; L219-V222 PolarHBondContact O-N 3.17Å; L219-G223 PolarHBondContact O-N 3.35Å
220S95.7Very high95.2Very high33 Ų3340.7 Ų40.723%0.23122%0.215CC..Hα-helixtrans-64.2-38.8176.8-60.60000111.6W216 Q217 K218 G223 T224W216-S220 WeakPolarHBondContact O-CB 3.45Å; W216-S220 PolarHBondContact O-N 2.96Å; W216-S220 PolarHBondContact O-OG 2.69Å; Q217-S220 WeakPolarHBondContact O-CB 3.39Å; Q217-S220 PolarHBondContact O-N 2.97Å; K218-S220 VanDerWaalsContact C-N 3.28Å; K218-S220 PolarHBondContact O-N 3.47Å; S220-G223 PolarHBondContact O-N 3.18Å; S220-T224 PolarHBondContact O-N 3.36Å; S220-T224 PolarHBondContact O-OG1 3.5Å; S220-T224 VanDerWaalsContact O-OG1 3.07Å
221V96.4Very high95.3Very high0 Ų038.5 Ų38.50%021%0.205CC..Hα-helixtrans-62.4-42.5172.6173.80000111.2W186 L189 A191 L192 Q217 K218 L219 G223 T224 F225W186-V221 HydrophobicContact CE3-CG1 4.01Å; W186-V221 HydrophobicContact CZ3-CG1 4.07Å; W186-V221 HydrophobicContact CZ3-CG2 4.5Å; L189-V221 HydrophobicContact CB-CB 4.47Å; L189-V221 HydrophobicContact CB-CG1 4.37Å; L189-V221 HydrophobicContact CD2-CG1 3.85Å; L189-V221 WeakPolarHBondContact O-CG2 3.34Å; A191-V221 HydrophobicContact CB-CG2 4.32Å; L192-V221 HydrophobicContact CB-CG2 3.88Å; L192-V221 HydrophobicContact CD1-CG2 3.89Å; L192-V221 HydrophobicContact CG-CG2 3.6Å; Q217-V221 WeakPolarHBondContact O-CG2 3.2Å; Q217-V221 PolarHBondContact O-N 3.45Å; K218-V221 PolarHBondContact O-N 3.27Å; L219-V221 VanDerWaalsContact C-N 3.35Å; L219-V221 PolarHBondContact O-N 2.94Å; V221-G223 VanDerWaalsContact C-N 3.34Å; V221-T224 WeakPolarHBondContact O-CB 3.46Å; V221-T224 PolarHBondContact O-N 3.01Å; V221-F225 HydrophobicContact CG1-CD2 3.88Å; V221-F225 HydrophobicContact CG1-CE2 3.46Å; V221-F225 VanDerWaalsContact CG1-CE2 3.46Å; V221-F225 HydrophobicContact CG1-CZ 4.2Å; V221-F225 WeakPolarHBondContact O-CD2 3.43Å; V221-F225 PolarHBondContact O-N 3.28Å
222V96.7Very high95.5Very high4 Ų435.6 Ų35.62%0.02419%0.191CC..Hα-helixtrans-60.2-46.3174.31740000110.5L189 K218 L219 T224 F225 V226 T322 F326L189-V222 HydrophobicContact CD1-CG2 3.87Å; L189-V222 HydrophobicContact CD2-CG2 4.22Å; K218-V222 WeakPolarHBondContact O-CG2 3.36Å; K218-V222 PolarHBondContact O-N 2.89Å; K218-V222 VanDerWaalsContact O-N 3.08Å; L219-V222 WeakPolarHBondContact O-CB 3.43Å; L219-V222 PolarHBondContact O-N 3.17Å; V222-T224 VanDerWaalsContact C-N 3.34Å; V222-T224 PolarHBondContact O-N 3.4Å; V222-F225 PolarHBondContact O-N 2.95Å; V222-F225 VanDerWaalsContact O-N 3.14Å; V222-V226 HydrophobicContact CG1-CG2 4.46Å; V222-V226 WeakPolarHBondContact O-CG2 3.47Å; V222-V226 PolarHBondContact O-N 3.11Å; V222-T322 HydrophobicContact CG1-CG2 3.49Å; V222-T322 VanDerWaalsContact CG1-CG2 3.49Å; V222-F326 HydrophobicContact CB-CD2 4.5Å; V222-F326 HydrophobicContact CG1-CB 4.35Å; V222-F326 HydrophobicContact CG1-CD2 3.62Å; V222-F326 HydrophobicContact CG1-CE2 4.01Å; V222-F326 HydrophobicContact CG1-CG 4Å; V222-F326 HydrophobicContact CG2-CB 3.98Å; V222-F326 HydrophobicContact CG2-CD1 3.93Å; V222-F326 HydrophobicContact CG2-CD2 4.26Å; V222-F326 HydrophobicContact CG2-CE1 4.46Å; V222-F326 HydrophobicContact CG2-CG 3.8Å
223G96.3Very high95.5Very high28 Ų2835 Ų3529%0.28919%0.186SC..Hα-helixtrans-56.5-44.9174.700000112.5L219 S220 V221 F225 V226 I227L219-G223 PolarHBondContact O-N 3.35Å; S220-G223 PolarHBondContact O-N 3.18Å; V221-G223 VanDerWaalsContact C-N 3.34Å; G223-F225 PolarHBondContact O-N 3.04Å; G223-V226 PolarHBondContact O-N 3.49Å; G223-I227 VanDerWaalsContact O-CG1 3.27Å; G223-I227 WeakPolarHBondContact O-CG1 3.45Å; G223-I227 PolarHBondContact O-N 3.43Å
224T95.9Very high95.6Very high18 Ų1832.7 Ų32.711%0.1117%0.17CC..Hα-helixtrans-57.7-47.4173.7-560000111.4S220 V221 V222 V226 I227 E228S220-T224 PolarHBondContact O-N 3.36Å; S220-T224 PolarHBondContact O-OG1 3.5Å; S220-T224 VanDerWaalsContact O-OG1 3.07Å; V221-T224 WeakPolarHBondContact O-CB 3.46Å; V221-T224 PolarHBondContact O-N 3.01Å; V222-T224 VanDerWaalsContact C-N 3.34Å; V222-T224 PolarHBondContact O-N 3.4Å; T224-V226 VanDerWaalsContact C-N 3.34Å; T224-V226 PolarHBondContact O-N 3.1Å; T224-I227 PolarHBondContact O-N 3.29Å; T224-E228 HydrophobicContact CG2-CG 4.14Å; T224-E228 VanDerWaalsContact O-CB 3.31Å; T224-E228 WeakPolarHBondContact O-CB 3.49Å; T224-E228 VanDerWaalsContact O-CG 3.26Å; T224-E228 WeakPolarHBondContact O-CG 3.34Å; T224-E228 PolarHBondContact O-N 2.93Å
225F96.4Very high95.7Very high3 Ų328.7 Ų28.71%0.01315%0.146CC..Hα-helixtrans-62-40.1177.7-73.6-49.1000113K178 L179 W186 L189 V221 V222 G223 E228 I229 P230 F326K178-F225 HydrophobicContact CB-CE1 3.92Å; K178-F225 HydrophobicContact CD-CE1 4.28Å; L179-F225 HydrophobicContact CD1-CD1 4.33Å; L179-F225 HydrophobicContact CD1-CE1 4.16Å; L179-F225 HydrophobicContact CD2-CE1 3.93Å; L179-F225 HydrophobicContact CD2-CE2 4.18Å; L179-F225 HydrophobicContact CD2-CZ 3.6Å; L179-F225 HydrophobicContact CG-CD1 4.35Å; L179-F225 HydrophobicContact CG-CE1 3.7Å; L179-F225 HydrophobicContact CG-CZ 3.93Å; W186-F225 HydrophobicContact CB-CZ 4.35Å; W186-F225 HydrophobicContact CD2-CZ 4.48Å; W186-F225 HydrophobicContact CE3-CE1 4.36Å; W186-F225 HydrophobicContact CE3-CE2 4.46Å; W186-F225 AromaticContact CE3-CZ 3.8Å; W186-F225 HydrophobicContact CE3-CZ 3.8Å; L189-F225 HydrophobicContact CD2-CD2 4.27Å; L189-F225 HydrophobicContact CD2-CE2 3.91Å; V221-F225 HydrophobicContact CG1-CD2 3.88Å; V221-F225 HydrophobicContact CG1-CE2 3.46Å; V221-F225 VanDerWaalsContact CG1-CE2 3.46Å; V221-F225 HydrophobicContact CG1-CZ 4.2Å; V221-F225 WeakPolarHBondContact O-CD2 3.43Å; V221-F225 PolarHBondContact O-N 3.28Å; V222-F225 PolarHBondContact O-N 2.95Å; V222-F225 VanDerWaalsContact O-N 3.14Å; G223-F225 PolarHBondContact O-N 3.04Å; F225-E228 PolarHBondContact O-N 3.35Å; F225-I229 HydrophobicContact CD1-CD1 4.06Å; F225-I229 VanDerWaalsContact O-CB 3.32Å; F225-I229 WeakPolarHBondContact O-CB 3.49Å; F225-I229 PolarHBondContact O-N 3.2Å; F225-P230 WeakPolarHBondContact O-CD 3.36Å; F225-F326 HydrophobicContact CB-CE2 4.48Å; F225-F326 HydrophobicContact CB-CZ 3.88Å; F225-F326 AromaticContact CD2-CE1 3.84Å; F225-F326 HydrophobicContact CD2-CE1 3.84Å; F225-F326 AromaticContact CD2-CZ 3.76Å; F225-F326 HydrophobicContact CD2-CZ 3.76Å; F225-F326 HydrophobicContact CE2-CE1 4.41Å; F225-F326 HydrophobicContact CG-CZ 4.14Å
226V96.9Very high95.7Very high25 Ų2526 Ų2615%0.15214%0.136CC..Hα-helixtrans-64.9-44.9176.9174.40000110.9V222 G223 T224 E228 P230 V231 T318 T322V222-V226 HydrophobicContact CG1-CG2 4.46Å; V222-V226 WeakPolarHBondContact O-CG2 3.47Å; V222-V226 PolarHBondContact O-N 3.11Å; G223-V226 PolarHBondContact O-N 3.49Å; T224-V226 VanDerWaalsContact C-N 3.34Å; T224-V226 PolarHBondContact O-N 3.1Å; V226-E228 VanDerWaalsContact C-N 3.32Å; V226-E228 PolarHBondContact O-N 3.05Å; V226-P230 HydrophobicContact CB-CG 4.35Å; V226-P230 HydrophobicContact CG1-CG 4.06Å; V226-P230 WeakPolarHBondContact O-CD 3.39Å; V226-P230 WeakPolarHBondContact O-CG 3.23Å; V226-V231 HydrophobicContact CG1-CG2 4.28Å; V226-V231 VanDerWaalsContact O-CG2 3.26Å; V226-V231 WeakPolarHBondContact O-CG2 3.46Å; V226-V231 PolarHBondContact O-N 3.41Å; V226-V231 VanDerWaalsContact O-N 3.14Å; V226-T318 HydrophobicContact CG1-CG2 4.18Å; V226-T322 HydrophobicContact CG2-CG2 3.74Å; V226-T322 WeakPolarHBondContact CG2-OG1 3.25Å
227I97.2Very high95.5Very high23 Ų2321.5 Ų21.512%0.11812%0.122CC..Hα-helixtrans-69.5-31.8-179.4-63.7169000111.6G223 T224 P232 M249 Q250 L253G223-I227 VanDerWaalsContact O-CG1 3.27Å; G223-I227 WeakPolarHBondContact O-CG1 3.45Å; G223-I227 PolarHBondContact O-N 3.43Å; T224-I227 PolarHBondContact O-N 3.29Å; I227-P232 WeakPolarHBondContact O-CD 3.42Å; I227-M249 HydrophobicContact CG1-CB 4.34Å; I227-Q250 PolarHBondContact O-NE2 3.35Å; I227-L253 HydrophobicContact CB-CD2 4.22Å; I227-L253 HydrophobicContact CD1-CB 4.32Å; I227-L253 HydrophobicContact CG2-CB 4.11Å; I227-L253 HydrophobicContact CG2-CD2 3.61Å; I227-L253 HydrophobicContact CG2-CG 4.47Å
228E96.5Very high95.1Very high14 Ų1427 Ų277%0.06516%0.158CC..Hα-helixtrans-93-22-176.2-65.5-176.4152.200114.4M171 F172 G175 K178 T224 F225 V226 P232 L253M171-E228 CarbonylContact C-O 3.54Å; M171-E228 HydrophobicContact CE-CG 3.78Å; M171-E228 VanDerWaalsContact O-O 3.09Å; F172-E228 VanDerWaalsContact CA-O 3.29Å; F172-E228 WeakPolarHBondContact CA-O 3.31Å; G175-E228 WeakPolarHBondContact CA-OE2 3.44Å; K178-E228 IonicContact NZ-OE1 2.63Å; K178-E228 PolarHBondContact NZ-OE1 3.47Å; K178-E228 IonicContact NZ-OE2 3.19Å; K178-E228 PolarHBondContact NZ-OE2 3.5Å; T224-E228 HydrophobicContact CG2-CG 4.14Å; T224-E228 VanDerWaalsContact O-CB 3.31Å; T224-E228 WeakPolarHBondContact O-CB 3.49Å; T224-E228 VanDerWaalsContact O-CG 3.26Å; T224-E228 WeakPolarHBondContact O-CG 3.34Å; T224-E228 PolarHBondContact O-N 2.93Å; F225-E228 PolarHBondContact O-N 3.35Å; V226-E228 VanDerWaalsContact C-N 3.32Å; V226-E228 PolarHBondContact O-N 3.05Å; E228-P232 WeakPolarHBondContact O-CG 3.45Å; E228-L253 HydrophobicContact CG-CD2 4.1Å
229I95.3Very high94.8Very high16 Ų1626 Ų268%0.08216%0.155CC..THydrogen-bonded Turntrans-109.2-65.8-174.5-58174.1000112.6F172 L179 F225 P232 F233F172-I229 HydrophobicContact CE2-CG2 4.18Å; L179-I229 HydrophobicContact CD1-CD1 3.95Å; F225-I229 HydrophobicContact CD1-CD1 4.06Å; F225-I229 VanDerWaalsContact O-CB 3.32Å; F225-I229 WeakPolarHBondContact O-CB 3.49Å; F225-I229 PolarHBondContact O-N 3.2Å; I229-P232 WeakPolarHBondContact O-CD 3.15Å; I229-F233 VanDerWaalsContact O-CD2 3.31Å; I229-F233 WeakPolarHBondContact O-CD2 3.14Å; I229-F233 VanDerWaalsContact O-CE2 3.22Å; I229-F233 WeakPolarHBondContact O-CE2 3.42Å
230P95.4Very high94.5Very high47 Ų4727.5 Ų27.531%0.30516%0.157SC..THydrogen-bonded Turntrans-77.9-36.5179.927.1-34.4000114.2F225 V226 F233F225-P230 WeakPolarHBondContact O-CD 3.36Å; V226-P230 HydrophobicContact CB-CG 4.35Å; V226-P230 HydrophobicContact CG1-CG 4.06Å; V226-P230 WeakPolarHBondContact O-CD 3.39Å; V226-P230 WeakPolarHBondContact O-CG 3.23Å; P230-F233 WeakPolarHBondContact O-CB 3.3Å; P230-F233 WeakPolarHBondContact O-CD2 3.19Å; P230-F233 PolarHBondContact O-N 2.99Å
231V96.6Very high94.2Very high1 Ų130.7 Ų30.71%0.00616%0.164CC..G310 helixtrans-60.7-37-177.8169.40000113.7V226 F233 L234 F235 A246 M249V226-V231 HydrophobicContact CG1-CG2 4.28Å; V226-V231 VanDerWaalsContact O-CG2 3.26Å; V226-V231 WeakPolarHBondContact O-CG2 3.46Å; V226-V231 PolarHBondContact O-N 3.41Å; V226-V231 VanDerWaalsContact O-N 3.14Å; V231-F233 PolarHBondContact O-N 2.92Å; V231-F233 VanDerWaalsContact O-N 3.12Å; V231-L234 VanDerWaalsContact O-CB 3.23Å; V231-L234 WeakPolarHBondContact O-CB 3.34Å; V231-L234 WeakPolarHBondContact O-CG 3.4Å; V231-L234 PolarHBondContact O-N 3.38Å; V231-F235 HydrophobicContact CG1-CE1 4.36Å; V231-A246 HydrophobicContact CG1-CB 3.76Å; V231-M249 HydrophobicContact CG2-SD 3.8Å
232P96.3Very high94.1Very high0 Ų030.9 Ų30.90%016%0.164CC..G310 helixtrans-57.3-26.4176.9-29.838.2000115.1F168 M171 I227 E228 I229 L234 F235F168-P232 HydrophobicContact CD2-CB 3.54Å; F168-P232 WeakPolarHBondContact CD2-O 3.32Å; F168-P232 HydrophobicContact CE2-CB 3.87Å; M171-P232 HydrophobicContact CB-CB 4.49Å; M171-P232 HydrophobicContact CB-CG 3.75Å; I227-P232 WeakPolarHBondContact O-CD 3.42Å; E228-P232 WeakPolarHBondContact O-CG 3.45Å; I229-P232 WeakPolarHBondContact O-CD 3.15Å; P232-L234 PolarHBondContact O-N 3Å; P232-F235 HydrophobicContact CB-CD2 4.07Å; P232-F235 HydrophobicContact CB-CE2 3.7Å; P232-F235 HydrophobicContact CB-CZ 4.08Å; P232-F235 HydrophobicContact CG-CE2 4.23Å; P232-F235 HydrophobicContact CG-CZ 4.24Å; P232-F235 WeakPolarHBondContact O-CB 3.29Å; P232-F235 VanDerWaalsContact O-CD2 3.3Å; P232-F235 WeakPolarHBondContact O-CD2 3.23Å; P232-F235 WeakPolarHBondContact O-CG 3.24Å; P232-F235 PolarHBondContact O-N 2.91Å; P232-F235 VanDerWaalsContact O-N 3.12Å
233F94.9Very high93.9Very high58 Ų5830.9 Ų30.925%0.25416%0.164SC..G310 helixtrans-64-28.7174.1-68.4-88.4000112.5F168 F172 I229 P230 V231 F235 F236 V355 C359 I362F168-F233 HydrophobicContact CE2-CD1 4.47Å; F168-F233 HydrophobicContact CZ-CE1 4.48Å; F172-F233 HydrophobicContact CD2-CE2 4.07Å; F172-F233 HydrophobicContact CD2-CZ 4.36Å; F172-F233 AromaticContact CE2-CE2 3.78Å; F172-F233 HydrophobicContact CE2-CE2 3.78Å; F172-F233 AromaticContact CE2-CZ 3.84Å; F172-F233 HydrophobicContact CE2-CZ 3.84Å; F172-F233 HydrophobicContact CZ-CZ 4.47Å; I229-F233 VanDerWaalsContact O-CD2 3.31Å; I229-F233 WeakPolarHBondContact O-CD2 3.14Å; I229-F233 VanDerWaalsContact O-CE2 3.22Å; I229-F233 WeakPolarHBondContact O-CE2 3.42Å; P230-F233 WeakPolarHBondContact O-CB 3.3Å; P230-F233 WeakPolarHBondContact O-CD2 3.19Å; P230-F233 PolarHBondContact O-N 2.99Å; V231-F233 PolarHBondContact O-N 2.92Å; V231-F233 VanDerWaalsContact O-N 3.12Å; F233-F235 PolarHBondContact O-N 2.95Å; F233-F236 PolarHBondContact O-N 3.33Å; F233-V355 HydrophobicContact CE1-CG1 4.08Å; F233-V355 HydrophobicContact CZ-CG1 3.54Å; F233-C359 WeakPolarHBondContact CE1-SG 3.41Å; F233-C359 WeakPolarHBondContact CZ-SG 3.4Å; F233-I362 HydrophobicContact CD1-CD1 4.31Å
234L95.4Very high93.8Very high19 Ų1930.5 Ų30.510%0.09916%0.156CC..G310 helixtrans-69.4-15.1177.4-53.9-178.4000112.6V231 P232 F236 S237 L242 A246 V314 W315V231-L234 VanDerWaalsContact O-CB 3.23Å; V231-L234 WeakPolarHBondContact O-CB 3.34Å; V231-L234 WeakPolarHBondContact O-CG 3.4Å; V231-L234 PolarHBondContact O-N 3.38Å; P232-L234 PolarHBondContact O-N 3Å; L234-F236 PolarHBondContact O-N 3.24Å; L234-S237 VanDerWaalsContact O-CB 3.23Å; L234-S237 WeakPolarHBondContact O-CB 3.44Å; L234-S237 PolarHBondContact O-N 3.46Å; L234-S237 VanDerWaalsContact O-N 3.08Å; L234-L242 HydrophobicContact CD2-CD1 4.46Å; L234-A246 HydrophobicContact CB-CB 3.94Å; L234-A246 HydrophobicContact CD1-CB 4.49Å; L234-V314 HydrophobicContact CD2-CG1 3.76Å; L234-W315 HydrophobicContact CD1-CH2 3.78Å; L234-W315 HydrophobicContact CD1-CZ2 4.17Å; L234-W315 HydrophobicContact CD1-CZ3 4.38Å
235F95Very high93.7Very high0 Ų030.9 Ų30.90%016%0.161CC..G310 helixtrans-60.8-36.2177.4-60.3-12.6000111.7R164 L167 F168 M171 V231 P232 F233 S237 A246 Q250 L277R164-F235 WeakPolarHBondContact CD-O 3.41Å; R164-F235 HydrophobicContact CG-CB 4.12Å; L167-F235 HydrophobicContact CD2-CD2 4.23Å; L167-F235 HydrophobicContact CD2-CE2 3.89Å; L167-F235 HydrophobicContact CD2-CZ 4.12Å; L167-F235 HydrophobicContact CG-CD2 4.25Å; L167-F235 HydrophobicContact CG-CE2 3.68Å; L167-F235 HydrophobicContact CG-CZ 4.18Å; F168-F235 HydrophobicContact CB-CD2 4.08Å; M171-F235 HydrophobicContact CG-CE2 4.35Å; M171-F235 HydrophobicContact CG-CZ 4.35Å; V231-F235 HydrophobicContact CG1-CE1 4.36Å; P232-F235 HydrophobicContact CB-CD2 4.07Å; P232-F235 HydrophobicContact CB-CE2 3.7Å; P232-F235 HydrophobicContact CB-CZ 4.08Å; P232-F235 HydrophobicContact CG-CE2 4.23Å; P232-F235 HydrophobicContact CG-CZ 4.24Å; P232-F235 WeakPolarHBondContact O-CB 3.29Å; P232-F235 VanDerWaalsContact O-CD2 3.3Å; P232-F235 WeakPolarHBondContact O-CD2 3.23Å; P232-F235 WeakPolarHBondContact O-CG 3.24Å; P232-F235 PolarHBondContact O-N 2.91Å; P232-F235 VanDerWaalsContact O-N 3.12Å; F233-F235 PolarHBondContact O-N 2.95Å; F235-S237 VanDerWaalsContact C-N 3.33Å; F235-A246 HydrophobicContact CD1-CB 3.89Å; F235-A246 HydrophobicContact CE1-CB 3.88Å; F235-Q250 HydrophobicContact CE1-CG 3.92Å; F235-Q250 HydrophobicContact CZ-CG 3.75Å; F235-L277 HydrophobicContact CB-CD2 3.7Å; F235-L277 HydrophobicContact CD1-CD1 3.6Å; F235-L277 HydrophobicContact CD1-CD2 3.86Å; F235-L277 HydrophobicContact CD1-CG 4.41Å; F235-L277 HydrophobicContact CE1-CD1 3.7Å; F235-L277 HydrophobicContact CG-CD1 4.29Å; F235-L277 HydrophobicContact CG-CD2 3.82Å; F235-L277 HydrophobicContact CZ-CD1 4.46Å
236F93.3Very high93.7Very high24 Ų2430.8 Ų30.811%0.10516%0.16CC..G310 helixtrans-90.86.2178.6-55.3-73.7000113.2W161 R164 W165 F168 F233 L234 I362W161-F236 AromaticContact CE2-CE1 3.94Å; W161-F236 AromaticContact CZ2-CE1 3.98Å; W161-F236 HydrophobicContact CZ2-CE1 3.98Å; W161-F236 AromaticContact NE1-CD1 3.85Å; W161-F236 AromaticContact NE1-CE1 3.71Å; R164-F236 HydrophobicContact CG-CE1 4.13Å; W165-F236 HydrophobicContact CE3-CE2 4.46Å; W165-F236 AromaticContact CE3-CZ 3.79Å; W165-F236 HydrophobicContact CE3-CZ 3.79Å; W165-F236 HydrophobicContact CZ3-CZ 4.43Å; F168-F236 HydrophobicContact CB-CE2 3.76Å; F168-F236 HydrophobicContact CB-CZ 3.86Å; F168-F236 HydrophobicContact CD1-CE2 4.22Å; F168-F236 HydrophobicContact CD2-CD2 4.46Å; F168-F236 AromaticContact CD2-CE2 3.68Å; F168-F236 HydrophobicContact CD2-CE2 3.68Å; F168-F236 HydrophobicContact CE2-CE2 4.33Å; F168-F236 AromaticContact CG-CE2 3.61Å; F168-F236 HydrophobicContact CG-CE2 3.61Å; F168-F236 HydrophobicContact CG-CZ 4.13Å; F233-F236 PolarHBondContact O-N 3.33Å; L234-F236 PolarHBondContact O-N 3.24Å; F236-I362 HydrophobicContact CB-CG2 4.1Å; F236-I362 HydrophobicContact CD2-CG2 4.12Å; F236-I362 HydrophobicContact CG-CG2 4.2Å
237S90.9Very high93.7Very high19 Ų1929.8 Ų29.813%0.13315%0.154CC..  trans-66.5134.4178.9-1720000111L234 F235 L239L234-S237 VanDerWaalsContact O-CB 3.23Å; L234-S237 WeakPolarHBondContact O-CB 3.44Å; L234-S237 PolarHBondContact O-N 3.46Å; L234-S237 VanDerWaalsContact O-N 3.08Å; F235-S237 VanDerWaalsContact C-N 3.33Å; S237-L239 PolarHBondContact O-N 3.03Å; S237-L239 PolarHBondContact OG-N 2.84Å
238P86Confident93.7Very high119 Ų11933.4 Ų33.477%0.77317%0.166SC*.SBendtrans-68.5-20.3172.328.9-34.5000111.9R240P238-R240 PolarHBondContact O-N 3.21Å
239L88.8Confident93.8Very high36 Ų3635.6 Ų35.619%0.18818%0.178CC..  trans-77.3112.7-179.4-58.1-174.9000110.9S237 R241 L242 R243 S307 V310S237-L239 PolarHBondContact O-N 3.03Å; S237-L239 PolarHBondContact OG-N 2.84Å; L239-R241 VanDerWaalsContact C-N 3.28Å; L239-R241 PolarHBondContact O-N 3.47Å; L239-L242 HydrophobicContact CB-CB 4.35Å; L239-L242 HydrophobicContact CB-CD1 4.11Å; L239-L242 HydrophobicContact CB-CG 4.17Å; L239-L242 HydrophobicContact CD1-CD1 3.81Å; L239-L242 HydrophobicContact CD1-CG 4.41Å; L239-L242 HydrophobicContact CG-CD1 4.42Å; L239-L242 PolarHBondContact O-N 3.36Å; L239-R243 PolarHBondContact O-N 3.49Å; L239-S307 WeakPolarHBondContact CD2-OG 2.99Å; L239-V310 HydrophobicContact CD1-CB 4.12Å; L239-V310 HydrophobicContact CD1-CG1 3.71Å
240R88.6Confident93.9Very high90 Ų9034.9 Ų34.934%0.3417%0.174SC..Hα-helixtrans-50.5-44.9-179.2-177.4-179.2179.2-153.1-1112.9P238 R243 L244 D279P238-R240 PolarHBondContact O-N 3.21Å; R240-R243 PolarHBondContact O-N 3Å; R240-L244 HydrophobicContact CG-CD1 3.97Å; R240-L244 HydrophobicContact CG-CG 4.33Å; R240-L244 WeakPolarHBondContact O-CG 3.48Å; R240-L244 PolarHBondContact O-N 2.85Å; R240-D279 WeakPolarHBondContact CD-OD2 3.48Å; R240-D279 IonicContact CZ-OD1 2.96Å; R240-D279 IonicContact CZ-OD2 3.53Å; R240-D279 VanDerWaalsContact NE-CG 3.34Å; R240-D279 IonicContact NE-OD1 3.27Å; R240-D279 PolarHBondContact NE-OD1 2.93Å; R240-D279 IonicContact NE-OD2 3.91Å; R240-D279 PolarHBondContact NE-OD2 3.14Å; R240-D279 IonicContact NH2-OD1 2.91Å; R240-D279 PolarHBondContact NH2-OD1 3.4Å; R240-D279 VanDerWaalsContact NH2-OD1 3.14Å; R240-D279 IonicContact NH2-OD2 2.68Å
241R89.9Confident94Very high101 Ų10134.8 Ų34.838%0.38117%0.171SC..Hα-helixtrans-66-40.1-175.9-64.1-168.6-176.3116.5-2113.4L239 R243 L244 A245 R308 E311L239-R241 VanDerWaalsContact C-N 3.28Å; L239-R241 PolarHBondContact O-N 3.47Å; R241-R243 VanDerWaalsContact C-N 3.33Å; R241-R243 PolarHBondContact O-N 3.47Å; R241-L244 PolarHBondContact O-N 2.94Å; R241-A245 WeakPolarHBondContact O-CB 3.28Å; R241-A245 PolarHBondContact O-N 2.96Å; R241-R308 VanDerWaalsContact CZ-NH1 3.3Å; R241-R308 VanDerWaalsContact NH1-CD 3.27Å; R241-R308 VanDerWaalsContact NH1-NH1 3.18Å; R241-R308 VanDerWaalsContact NH2-NH2 3.16Å; R241-E311 WeakPolarHBondContact CD-OE2 3.47Å; R241-E311 IonicContact NH1-OE2 2.73Å
242L93.3Very high94Very high3 Ų339.5 Ų39.52%0.01620%0.195CC..Hα-helixtrans-63.8-41.5175.8-68.1-178.1000111.1L234 L239 A245 A246 E311 V314 W315L234-L242 HydrophobicContact CD2-CD1 4.46Å; L239-L242 HydrophobicContact CB-CB 4.35Å; L239-L242 HydrophobicContact CB-CD1 4.11Å; L239-L242 HydrophobicContact CB-CG 4.17Å; L239-L242 HydrophobicContact CD1-CD1 3.81Å; L239-L242 HydrophobicContact CD1-CG 4.41Å; L239-L242 HydrophobicContact CG-CD1 4.42Å; L239-L242 PolarHBondContact O-N 3.36Å; L242-A245 PolarHBondContact O-N 3.49Å; L242-A246 WeakPolarHBondContact O-CB 3.35Å; L242-A246 PolarHBondContact O-N 3.1Å; L242-E311 HydrophobicContact CD2-CB 4.43Å; L242-E311 HydrophobicContact CD2-CG 3.95Å; L242-V314 HydrophobicContact CD1-CB 4.28Å; L242-V314 HydrophobicContact CD1-CG1 4.2Å; L242-V314 HydrophobicContact CD1-CG2 4.14Å; L242-V314 HydrophobicContact CD2-CB 4.46Å; L242-V314 HydrophobicContact CD2-CG1 4.25Å; L242-W315 HydrophobicContact CD2-CZ2 4.09Å
243R93.4Very high94Very high4 Ų440.3 Ų40.32%0.01520%0.199CC..Hα-helixtrans-65.6-41.3177.3-167.8174.264.5-124.1-3.6112.5M1 L239 R240 R241 A246 F247 L277M1-R243 VanDerWaalsContact CG-NH1 3.27Å; L239-R243 PolarHBondContact O-N 3.49Å; R240-R243 PolarHBondContact O-N 3Å; R241-R243 VanDerWaalsContact C-N 3.33Å; R241-R243 PolarHBondContact O-N 3.47Å; R243-A246 PolarHBondContact O-N 3.18Å; R243-F247 PolarHBondContact O-N 2.86Å; R243-L277 WeakPolarHBondContact CD-O 3.36Å; R243-L277 HydrophobicContact CG-CB 3.86Å; R243-L277 HydrophobicContact CG-CD2 3.95Å; R243-L277 HydrophobicContact CG-CG 4.43Å; R243-L277 WeakPolarHBondContact CG-O 3.44Å; R243-L277 PolarHBondContact NE-O 2.9Å
244L93.6Very high94.1Very high21 Ų2137.8 Ų37.811%0.1119%0.188CC..Hα-helixtrans-67.7-39.8175.3-69.6177.2000112.4R240 R241 A246 F247 Y248 L278 H282R240-L244 HydrophobicContact CG-CD1 3.97Å; R240-L244 HydrophobicContact CG-CG 4.33Å; R240-L244 WeakPolarHBondContact O-CG 3.48Å; R240-L244 PolarHBondContact O-N 2.85Å; R241-L244 PolarHBondContact O-N 2.94Å; L244-A246 VanDerWaalsContact C-N 3.33Å; L244-F247 WeakPolarHBondContact O-CB 3.41Å; L244-F247 PolarHBondContact O-N 3.24Å; L244-Y248 WeakPolarHBondContact O-CD2 3.4Å; L244-Y248 PolarHBondContact O-N 3.49Å; L244-L278 HydrophobicContact CD2-CD2 3.66Å; L244-H282 HydrophobicContact CD2-CB 4.3Å
245A94.7Very high94.1Very high26 Ų2639.9 Ų39.922%0.21520%0.202CC..Hα-helixtrans-62.6-42.6174.200000111.2R241 L242 F247 Y248 M249 W315R241-A245 WeakPolarHBondContact O-CB 3.28Å; R241-A245 PolarHBondContact O-N 2.96Å; L242-A245 PolarHBondContact O-N 3.49Å; A245-F247 VanDerWaalsContact C-N 3.33Å; A245-F247 PolarHBondContact O-N 3.25Å; A245-Y248 PolarHBondContact O-N 3.18Å; A245-M249 WeakPolarHBondContact O-CG 3.33Å; A245-M249 PolarHBondContact O-N 3.2Å; A245-W315 HydrophobicContact CB-CH2 4.22Å; A245-W315 HydrophobicContact CB-CZ2 3.55Å
246A96.5Very high94.2Very high0 Ų044.4 Ų44.40%023%0.225CC..Hα-helixtrans-59.9-4317300000111.6V231 L234 F235 L242 R243 L244 Y248 M249 Q250V231-A246 HydrophobicContact CG1-CB 3.76Å; L234-A246 HydrophobicContact CB-CB 3.94Å; L234-A246 HydrophobicContact CD1-CB 4.49Å; F235-A246 HydrophobicContact CD1-CB 3.89Å; F235-A246 HydrophobicContact CE1-CB 3.88Å; L242-A246 WeakPolarHBondContact O-CB 3.35Å; L242-A246 PolarHBondContact O-N 3.1Å; R243-A246 PolarHBondContact O-N 3.18Å; L244-A246 VanDerWaalsContact C-N 3.33Å; A246-Y248 PolarHBondContact O-N 2.78Å; A246-M249 PolarHBondContact O-N 3.48Å; A246-Q250 VanDerWaalsContact O-CG 3.32Å; A246-Q250 WeakPolarHBondContact O-CG 3.47Å; A246-Q250 PolarHBondContact O-N 2.87Å
247F96.8Very high94.2Very high4 Ų445 Ų452%0.01823%0.23CC..Hα-helixtrans-54.4-51.3173.1168.4-93.2000112.3R243 L244 A245 M249 Q250 L251 C274 L275 L277 L278 W286R243-F247 PolarHBondContact O-N 2.86Å; L244-F247 WeakPolarHBondContact O-CB 3.41Å; L244-F247 PolarHBondContact O-N 3.24Å; A245-F247 VanDerWaalsContact C-N 3.33Å; A245-F247 PolarHBondContact O-N 3.25Å; F247-M249 PolarHBondContact O-N 3.44Å; F247-Q250 PolarHBondContact O-N 3.2Å; F247-L251 HydrophobicContact CE1-CD2 4Å; F247-L251 HydrophobicContact CZ-CD2 4.11Å; F247-L251 WeakPolarHBondContact O-CB 3.42Å; F247-L251 PolarHBondContact O-N 2.88Å; F247-C274 HydrophobicContact CD2-CB 3.72Å; F247-C274 VanDerWaalsContact CD2-O 3.26Å; F247-C274 WeakPolarHBondContact CD2-O 3.33Å; F247-C274 HydrophobicContact CE2-CB 3.77Å; F247-L275 HydrophobicContact CE2-CD2 4.45Å; F247-L277 HydrophobicContact CB-CB 4.06Å; F247-L277 HydrophobicContact CB-CD1 4.06Å; F247-L277 HydrophobicContact CD2-CB 4.45Å; F247-L278 HydrophobicContact CB-CD2 4.41Å; F247-L278 HydrophobicContact CD1-CD2 3.82Å; F247-L278 HydrophobicContact CD2-CD2 3.86Å; F247-L278 HydrophobicContact CD2-CG 4.08Å; F247-L278 HydrophobicContact CE1-CD2 4.05Å; F247-L278 HydrophobicContact CE2-CD1 4.01Å; F247-L278 HydrophobicContact CE2-CD2 4.08Å; F247-L278 HydrophobicContact CE2-CG 4.06Å; F247-L278 HydrophobicContact CG-CD2 3.73Å; F247-L278 HydrophobicContact CG-CG 4.46Å; F247-L278 HydrophobicContact CZ-CD1 4.09Å; F247-L278 HydrophobicContact CZ-CD2 4.19Å; F247-L278 HydrophobicContact CZ-CG 4.44Å; F247-W286 AromaticContact CE1-CH2 3.62Å; F247-W286 HydrophobicContact CE1-CH2 3.62Å; F247-W286 AromaticContact CE1-CZ2 3.79Å; F247-W286 HydrophobicContact CE1-CZ2 3.79Å; F247-W286 AromaticContact CZ-CH2 3.61Å; F247-W286 HydrophobicContact CZ-CH2 3.61Å; F247-W286 HydrophobicContact CZ-CZ2 4.26Å
248Y96.9Very high94.4Very high99 Ų9946.1 Ų46.139%0.38823%0.233SC..Hα-helixtrans-68.1-35.1-178.6-73.7-64.4000113L244 A245 A246 L251 L252 H282 W286L244-Y248 WeakPolarHBondContact O-CD2 3.4Å; L244-Y248 PolarHBondContact O-N 3.49Å; A245-Y248 PolarHBondContact O-N 3.18Å; A246-Y248 PolarHBondContact O-N 2.78Å; Y248-L251 HydrophobicContact CD1-CD2 4.42Å; Y248-L251 PolarHBondContact O-N 3.21Å; Y248-L252 VanDerWaalsContact O-CB 3.29Å; Y248-L252 WeakPolarHBondContact O-CB 3.39Å; Y248-L252 PolarHBondContact O-N 3.37Å; Y248-H282 AromaticContact CZ-NE2 3.75Å; Y248-H282 PolarHBondContact OH-CE1 3.08Å; Y248-H282 PolarHBondContact OH-NE2 3.23Å; Y248-W286 HydrophobicContact CE1-CZ2 4.22Å; Y248-W286 PolarHBondContact OH-NE1 3.42Å
249M97.4Very high94.8Very high61 Ų6144.7 Ų44.730%0.322%0.219SC..Hα-helixtrans-63.6-42.6173.5-73.6-175.317900111.8I227 V231 A245 A246 F247 L253 W315I227-M249 HydrophobicContact CG1-CB 4.34Å; V231-M249 HydrophobicContact CG2-SD 3.8Å; A245-M249 WeakPolarHBondContact O-CG 3.33Å; A245-M249 PolarHBondContact O-N 3.2Å; A246-M249 PolarHBondContact O-N 3.48Å; F247-M249 PolarHBondContact O-N 3.44Å; M249-L253 PolarHBondContact O-N 2.82Å; M249-L253 VanDerWaalsContact O-N 3.1Å; M249-W315 HydrophobicContact CE-CE3 4.48Å; M249-W315 HydrophobicContact CE-CH2 3.41Å; M249-W315 VanDerWaalsContact CE-CH2 3.41Å; M249-W315 HydrophobicContact CE-CZ2 4.34Å; M249-W315 HydrophobicContact CE-CZ3 3.49Å; M249-W315 VanDerWaalsContact CE-CZ3 3.49Å; M249-W315 HydrophobicContact SD-CH2 3.84Å; M249-W315 HydrophobicContact SD-CZ3 4.1Å
250Q97.6Very high95.1Very high0 Ų043.4 Ų43.40%021%0.213CC..Hα-helixtrans-65.1-46174.6-65.7-54.2-23.500111.5M171 I227 F235 A246 F247 L252 L253 Q254 C274M171-Q250 PolarHBondContact SD-OE1 3.07Å; I227-Q250 PolarHBondContact O-NE2 3.35Å; F235-Q250 HydrophobicContact CE1-CG 3.92Å; F235-Q250 HydrophobicContact CZ-CG 3.75Å; A246-Q250 VanDerWaalsContact O-CG 3.32Å; A246-Q250 WeakPolarHBondContact O-CG 3.47Å; A246-Q250 PolarHBondContact O-N 2.87Å; F247-Q250 PolarHBondContact O-N 3.2Å; Q250-L252 VanDerWaalsContact C-N 3.33Å; Q250-L252 PolarHBondContact O-N 3.49Å; Q250-L253 PolarHBondContact O-N 3.36Å; Q250-Q254 WeakPolarHBondContact O-CG 3.46Å; Q250-Q254 PolarHBondContact O-N 3.47Å; Q250-C274 VanDerWaalsContact CB-SG 3.58Å
251L97.2Very high95.4Very high46 Ų4639.1 Ų39.124%0.24120%0.196CC..Hα-helixtrans-58.3-45.9178.1-17763.6000111.4F247 Y248 L253 Q254 V255 V271F247-L251 HydrophobicContact CE1-CD2 4Å; F247-L251 HydrophobicContact CZ-CD2 4.11Å; F247-L251 WeakPolarHBondContact O-CB 3.42Å; F247-L251 PolarHBondContact O-N 2.88Å; Y248-L251 HydrophobicContact CD1-CD2 4.42Å; Y248-L251 PolarHBondContact O-N 3.21Å; L251-L253 PolarHBondContact O-N 3.21Å; L251-Q254 PolarHBondContact O-N 3.36Å; L251-V255 HydrophobicContact CD1-CG2 4.3Å; L251-V255 HydrophobicContact CG-CG2 4.45Å; L251-V255 WeakPolarHBondContact O-CB 3.18Å; L251-V255 VanDerWaalsContact O-CG2 3.3Å; L251-V255 WeakPolarHBondContact O-CG2 3.27Å; L251-V255 PolarHBondContact O-N 3.25Å; L251-V271 HydrophobicContact CD1-CG1 3.8Å; L251-V271 HydrophobicContact CD1-CG2 3.95Å
252L97.4Very high95.6Very high100 Ų10034.4 Ų34.452%0.52418%0.179SC..Hα-helixtrans-57.7-48.4176.6177.463.9000111.1Y248 Q250 Q254 V255 L256Y248-L252 VanDerWaalsContact O-CB 3.29Å; Y248-L252 WeakPolarHBondContact O-CB 3.39Å; Y248-L252 PolarHBondContact O-N 3.37Å; Q250-L252 VanDerWaalsContact C-N 3.33Å; Q250-L252 PolarHBondContact O-N 3.49Å; L252-Q254 PolarHBondContact O-N 3.36Å; L252-V255 PolarHBondContact O-N 3.1Å; L252-L256 HydrophobicContact CD1-CD1 4.17Å; L252-L256 HydrophobicContact CD1-CG 4.27Å; L252-L256 HydrophobicContact CG-CD1 4.13Å; L252-L256 VanDerWaalsContact O-CG 3.3Å; L252-L256 WeakPolarHBondContact O-CG 3.49Å; L252-L256 PolarHBondContact O-N 2.77Å
253L96.6Very high95.5Very high16 Ų1634.8 Ų34.88%0.08418%0.18CC..Hα-helixtrans-58.7-48.3177.6179.263.1000111.3M171 I227 E228 M249 Q250 L251 V255 L256 I257M171-L253 HydrophobicContact CE-CD2 4.03Å; I227-L253 HydrophobicContact CB-CD2 4.22Å; I227-L253 HydrophobicContact CD1-CB 4.32Å; I227-L253 HydrophobicContact CG2-CB 4.11Å; I227-L253 HydrophobicContact CG2-CD2 3.61Å; I227-L253 HydrophobicContact CG2-CG 4.47Å; E228-L253 HydrophobicContact CG-CD2 4.1Å; M249-L253 PolarHBondContact O-N 2.82Å; M249-L253 VanDerWaalsContact O-N 3.1Å; Q250-L253 PolarHBondContact O-N 3.36Å; L251-L253 PolarHBondContact O-N 3.21Å; L253-V255 PolarHBondContact O-N 3.1Å; L253-L256 PolarHBondContact O-N 2.94Å; L253-I257 HydrophobicContact CD1-CD1 4.05Å; L253-I257 HydrophobicContact CD1-CG1 4.43Å; L253-I257 HydrophobicContact CG-CD1 3.91Å; L253-I257 VanDerWaalsContact O-CG1 3.24Å; L253-I257 WeakPolarHBondContact O-CG1 3.35Å; L253-I257 PolarHBondContact O-N 3.29Å
254Q96.8Very high95.4Very high6 Ų634.7 Ų34.73%0.02818%0.18CC..Hα-helixtrans-63.9-40-179.7-62-48.4-45.800112.5Q250 L251 L252 I257 I258 N267 T270 V271Q250-Q254 WeakPolarHBondContact O-CG 3.46Å; Q250-Q254 PolarHBondContact O-N 3.47Å; L251-Q254 PolarHBondContact O-N 3.36Å; L252-Q254 PolarHBondContact O-N 3.36Å; Q254-I257 PolarHBondContact O-N 3.46Å; Q254-I258 VanDerWaalsContact O-CG1 3.3Å; Q254-I258 WeakPolarHBondContact O-CG1 3.37Å; Q254-I258 PolarHBondContact O-N 3.24Å; Q254-N267 PolarHBondContact OE1-ND2 3.47Å; Q254-T270 HydrophobicContact CG-CG2 3.88Å; Q254-V271 HydrophobicContact CB-CG2 3.58Å; Q254-V271 HydrophobicContact CG-CG2 3.98Å
255V96.1Very high95.4Very high62 Ų6233.7 Ų33.738%0.37618%0.175SC..Hα-helixtrans-63.8-44.8176.8169.50000111L251 L252 L253 I257 I258 L259L251-V255 HydrophobicContact CD1-CG2 4.3Å; L251-V255 HydrophobicContact CG-CG2 4.45Å; L251-V255 WeakPolarHBondContact O-CB 3.18Å; L251-V255 VanDerWaalsContact O-CG2 3.3Å; L251-V255 WeakPolarHBondContact O-CG2 3.27Å; L251-V255 PolarHBondContact O-N 3.25Å; L252-V255 PolarHBondContact O-N 3.1Å; L253-V255 PolarHBondContact O-N 3.1Å; V255-I257 VanDerWaalsContact C-N 3.27Å; V255-I257 PolarHBondContact O-N 3.21Å; V255-I258 PolarHBondContact O-N 2.69Å; V255-L259 HydrophobicContact CG1-CD1 3.87Å; V255-L259 HydrophobicContact CG1-CG 4.23Å; V255-L259 WeakPolarHBondContact O-CB 3.37Å; V255-L259 VanDerWaalsContact O-CG 3.26Å; V255-L259 WeakPolarHBondContact O-CG 3.17Å; V255-L259 PolarHBondContact O-N 3.28Å
256L95.6Very high95.4Very high95 Ų9533 Ų3350%0.49717%0.167SC..Hα-helixtrans-61.6-37.1176.6-69.2173.6000112L252 L253 S260L252-L256 HydrophobicContact CD1-CD1 4.17Å; L252-L256 HydrophobicContact CD1-CG 4.27Å; L252-L256 HydrophobicContact CG-CD1 4.13Å; L252-L256 VanDerWaalsContact O-CG 3.3Å; L252-L256 WeakPolarHBondContact O-CG 3.49Å; L252-L256 PolarHBondContact O-N 2.77Å; L253-L256 PolarHBondContact O-N 2.94Å; L256-S260 WeakPolarHBondContact O-CB 3.45Å; L256-S260 PolarHBondContact O-N 2.64Å; L256-S260 VanDerWaalsContact O-N 3.1Å; L256-S260 PolarHBondContact O-OG 3.4Å
257I94.8Very high95.3Very high38 Ų3833.1 Ų33.120%0.19517%0.168CC..Hα-helixtrans-66.4-47.1175.2-65.5165.2000110.8L253 Q254 V255 L259 S260 G261 Y263 N267L253-I257 HydrophobicContact CD1-CD1 4.05Å; L253-I257 HydrophobicContact CD1-CG1 4.43Å; L253-I257 HydrophobicContact CG-CD1 3.91Å; L253-I257 VanDerWaalsContact O-CG1 3.24Å; L253-I257 WeakPolarHBondContact O-CG1 3.35Å; L253-I257 PolarHBondContact O-N 3.29Å; Q254-I257 PolarHBondContact O-N 3.46Å; V255-I257 VanDerWaalsContact C-N 3.27Å; V255-I257 PolarHBondContact O-N 3.21Å; I257-L259 VanDerWaalsContact C-N 3.3Å; I257-L259 PolarHBondContact O-N 3.14Å; I257-S260 PolarHBondContact O-N 2.82Å; I257-S260 PolarHBondContact O-OG 3.18Å; I257-G261 PolarHBondContact O-N 2.86Å; I257-Y263 HydrophobicContact CG2-CD2 3.31Å; I257-Y263 HydrophobicContact CG2-CE2 3.35Å; I257-Y263 HydrophobicContact CG2-CG 4.2Å; I257-N267 VanDerWaalsContact CG2-ND2 3.26Å; I257-N267 WeakPolarHBondContact CG2-ND2 3.39Å
258I94.9Very high95.3Very high42 Ų4235.8 Ų35.822%0.21518%0.182CC..Hα-helixtrans-58.8-43177-69.8164.7000111.3Q254 V255 S260 N267 L268 T489Q254-I258 VanDerWaalsContact O-CG1 3.3Å; Q254-I258 WeakPolarHBondContact O-CG1 3.37Å; Q254-I258 PolarHBondContact O-N 3.24Å; V255-I258 PolarHBondContact O-N 2.69Å; I258-S260 VanDerWaalsContact C-N 3.32Å; I258-S260 PolarHBondContact O-N 2.76Å; I258-N267 HydrophobicContact CD1-CB 3.63Å; I258-N267 HydrophobicContact CG1-CB 3.38Å; I258-L268 HydrophobicContact CD1-CD2 4.36Å; I258-T489 HydrophobicContact CG2-CG2 4.45Å
259L94.8Very high95.3Very high89 Ų8931.1 Ų31.147%0.46616%0.163SC..Hα-helixtrans-69.2-32.4-177.3-71.6176.5000112T203 L205 V255 I257T203-L259 WeakPolarHBondContact CB-O 3.36Å; T203-L259 PolarHBondContact OG1-O 2.69Å; L205-L259 WeakPolarHBondContact CB-O 3.38Å; L205-L259 HydrophobicContact CD2-CB 3.59Å; L205-L259 HydrophobicContact CD2-CD1 4.43Å; V255-L259 HydrophobicContact CG1-CD1 3.87Å; V255-L259 HydrophobicContact CG1-CG 4.23Å; V255-L259 WeakPolarHBondContact O-CB 3.37Å; V255-L259 VanDerWaalsContact O-CG 3.26Å; V255-L259 WeakPolarHBondContact O-CG 3.17Å; V255-L259 PolarHBondContact O-N 3.28Å; I257-L259 VanDerWaalsContact C-N 3.3Å; I257-L259 PolarHBondContact O-N 3.14Å
260S95Very high95.2Very high8 Ų828.2 Ų28.26%0.05615%0.149CC..Hα-helixtrans-94.9-18.1-178.158.50000114.2Q199 T203 A206 L256 I257 I258Q199-S260 PolarHBondContact NE2-O 3.42Å; Q199-S260 PolarHBondContact OE1-O 2.87Å; T203-S260 PolarHBondContact N-O 2.91Å; T203-S260 VanDerWaalsContact OG1-CA 3.32Å; T203-S260 WeakPolarHBondContact OG1-CA 3.49Å; T203-S260 PolarHBondContact OG1-O 3.45Å; A206-S260 VanDerWaalsContact CB-O 3.28Å; A206-S260 WeakPolarHBondContact CB-O 3.36Å; L256-S260 WeakPolarHBondContact O-CB 3.45Å; L256-S260 PolarHBondContact O-N 2.64Å; L256-S260 VanDerWaalsContact O-N 3.1Å; L256-S260 PolarHBondContact O-OG 3.4Å; I257-S260 PolarHBondContact O-N 2.82Å; I257-S260 PolarHBondContact O-OG 3.18Å; I258-S260 VanDerWaalsContact C-N 3.32Å; I258-S260 PolarHBondContact O-N 2.76Å
261G93.9Very high95.2Very high0 Ų029.9 Ų29.90%016%0.159CC..BIsolated β-bridgetrans-152148.4-173.600000114.1I257 Y263I257-G261 PolarHBondContact O-N 2.86Å; G261-Y263 PolarHBondContact O-N 3.09Å
262N94.2Very high95.2Very high3 Ų328 Ų282%0.01615%0.15CC..  trans-91.695.8175.5-61.1-83.4000110.6I201 P202 P486 V488 T489 W497I201-N262 HydrophobicContact CB-CB 4.07Å; I201-N262 HydrophobicContact CG2-CB 4.07Å; I201-N262 WeakPolarHBondContact O-CB 3.26Å; I201-N262 PolarHBondContact O-N 3.01Å; I201-N262 PolarHBondContact O-ND2 3.29Å; P202-N262 PolarHBondContact O-ND2 3.06Å; N262-P486 PolarHBondContact ND2-O 2.96Å; N262-V488 HydrophobicContact CB-CG2 3.5Å; N262-V488 VanDerWaalsContact CG-CG2 3.5Å; N262-V488 PolarHBondContact OD1-N 2.96Å; N262-T489 WeakPolarHBondContact CA-OG1 3.26Å; N262-T489 PolarHBondContact OD1-N 3.13Å; N262-T489 VanDerWaalsContact OD1-N 3.12Å; N262-T489 PolarHBondContact OD1-OG1 3.11Å; N262-W497 WeakPolarHBondContact O-CZ2 3.46Å
263Y91.5Very high95.3Very high10 Ų1023.2 Ų23.24%0.03913%0.125CC..  trans-109.743.8175.6-62.1-81.7000110.9H195 I257 G261 F265 F266 N267 F446 W497H195-Y263 PolarHBondContact CE1-OH 3.42Å; H195-Y263 PolarHBondContact NE2-OH 2.84Å; I257-Y263 HydrophobicContact CG2-CD2 3.31Å; I257-Y263 HydrophobicContact CG2-CE2 3.35Å; I257-Y263 HydrophobicContact CG2-CG 4.2Å; G261-Y263 PolarHBondContact O-N 3.09Å; Y263-F265 PolarHBondContact O-N 2.7Å; Y263-F266 VanDerWaalsContact O-CB 3.32Å; Y263-F266 WeakPolarHBondContact O-CB 3.36Å; Y263-F266 PolarHBondContact O-N 2.82Å; Y263-N267 WeakPolarHBondContact CB-OD1 3.32Å; Y263-F446 HydrophobicContact CD1-CE2 4.49Å; Y263-F446 HydrophobicContact CD1-CZ 4.43Å; Y263-F446 AromaticContact CE1-CE2 3.65Å; Y263-F446 HydrophobicContact CE1-CE2 3.65Å; Y263-F446 AromaticContact CE1-CZ 3.46Å; Y263-F446 HydrophobicContact CE1-CZ 3.46Å; Y263-F446 VanDerWaalsContact CE1-CZ 3.46Å; Y263-W497 AromaticContact CD1-CH2 3.91Å; Y263-W497 HydrophobicContact CD1-CH2 3.91Å; Y263-W497 HydrophobicContact CD1-CZ2 4.21Å; Y263-W497 HydrophobicContact CE1-CH2 4.14Å
264N91.6Very high95.3Very high2 Ų222.5 Ų22.51%0.01112%0.121CC..THydrogen-bonded Turntrans48.6-121.6166.646.5-47.1000113.1W126 P490 H491 Q492W126-N264 PolarHBondContact NE1-ND2 3.23Å; W126-N264 VanDerWaalsContact NE1-ND2 3.13Å; N264-P490 CarbonylContact C-O 3.38Å; N264-P490 VanDerWaalsContact O-CA 3.28Å; N264-P490 WeakPolarHBondContact O-CA 3.32Å; N264-P490 WeakPolarHBondContact O-CB 3.42Å; N264-H491 WeakPolarHBondContact CB-O 3.42Å; N264-Q492 HydrophobicContact CB-CB 3.57Å; N264-Q492 HydrophobicContact CB-CG 4.16Å; N264-Q492 PolarHBondContact ND2-OE1 3.44Å; N264-Q492 PolarHBondContact OD1-OE1 3.09Å
265F94Very high95.2Very high0 Ų022.7 Ų22.70%012%0.122CC..THydrogen-bonded Turntrans-103.36.4176.755.4-98.7000113.1I18 V21 A22 W126 L130 Y263 L268 L269I18-F265 HydrophobicContact CG2-CB 4.2Å; I18-F265 HydrophobicContact CG2-CD2 4.06Å; I18-F265 HydrophobicContact CG2-CG 4.34Å; V21-F265 HydrophobicContact CG1-CB 4.25Å; V21-F265 HydrophobicContact CG1-CD1 4.38Å; A22-F265 HydrophobicContact CB-CD1 4.18Å; A22-F265 HydrophobicContact CB-CE1 3.8Å; A22-F265 HydrophobicContact CB-CZ 4.01Å; W126-F265 HydrophobicContact CB-CE2 4.09Å; W126-F265 AromaticContact CD1-CZ 3.65Å; W126-F265 HydrophobicContact CG-CE2 4.43Å; W126-F265 HydrophobicContact CG-CZ 4.42Å; L130-F265 HydrophobicContact CB-CE2 4.09Å; L130-F265 HydrophobicContact CD2-CE2 3.89Å; L130-F265 HydrophobicContact CD2-CZ 4.09Å; Y263-F265 PolarHBondContact O-N 2.7Å; F265-L268 PolarHBondContact O-N 2.89Å; F265-L269 HydrophobicContact CD2-CD1 3.67Å; F265-L269 HydrophobicContact CD2-CG 4.27Å; F265-L269 HydrophobicContact CE2-CD1 3.96Å; F265-L269 PolarHBondContact O-N 3.07Å
266F94.4Very high95.2Very high13 Ų1319.7 Ų19.76%0.05710%0.104CC..Hα-helixtrans-65.4-48.4-175.9177.7-101000113W126 L129 L170 Y263 L268 L269 T270 L445W126-F266 HydrophobicContact CB-CB 3.85Å; W126-F266 HydrophobicContact CB-CD2 3.9Å; W126-F266 HydrophobicContact CB-CG 4.31Å; L129-F266 HydrophobicContact CD2-CD2 3.93Å; L129-F266 HydrophobicContact CD2-CE2 3.56Å; L129-F266 HydrophobicContact CD2-CZ 4.45Å; L170-F266 HydrophobicContact CD1-CE2 4.23Å; L170-F266 HydrophobicContact CD1-CZ 4.08Å; L170-F266 HydrophobicContact CD2-CZ 4.34Å; Y263-F266 VanDerWaalsContact O-CB 3.32Å; Y263-F266 WeakPolarHBondContact O-CB 3.36Å; Y263-F266 PolarHBondContact O-N 2.82Å; F266-L268 VanDerWaalsContact C-N 3.29Å; F266-L268 PolarHBondContact O-N 3.25Å; F266-L269 WeakPolarHBondContact O-CB 3.36Å; F266-L269 PolarHBondContact O-N 3.16Å; F266-T270 PolarHBondContact O-N 2.74Å; F266-T270 PolarHBondContact O-OG1 2.91Å; F266-T270 VanDerWaalsContact O-OG1 3.09Å; F266-L445 HydrophobicContact CD1-CD1 4.39Å; F266-L445 HydrophobicContact CE1-CD1 3.45Å; F266-L445 VanDerWaalsContact CE1-CD1 3.45Å; F266-L445 HydrophobicContact CE2-CD1 3.76Å; F266-L445 HydrophobicContact CZ-CD1 3.09Å; F266-L445 HydrophobicContact CZ-CG 4.48Å
267N94.5Very high95.1Very high2 Ų215.2 Ų15.21%0.0118%0.08CC..Hα-helixtrans-67.4-35178.5-60.5115.1000111.2Q254 I257 I258 Y263 L269 T270 V271Q254-N267 PolarHBondContact OE1-ND2 3.47Å; I257-N267 VanDerWaalsContact CG2-ND2 3.26Å; I257-N267 WeakPolarHBondContact CG2-ND2 3.39Å; I258-N267 HydrophobicContact CD1-CB 3.63Å; I258-N267 HydrophobicContact CG1-CB 3.38Å; Y263-N267 WeakPolarHBondContact CB-OD1 3.32Å; N267-L269 VanDerWaalsContact C-N 3.34Å; N267-T270 PolarHBondContact O-N 3.2Å; N267-V271 WeakPolarHBondContact O-CG2 3.41Å; N267-V271 PolarHBondContact O-N 3.43Å
268L95.8Very high95Very high60 Ų6013.4 Ų13.431%0.3147%0.071SC..Hα-helixtrans-62.8-41175-62.4-178.4000111.5I18 I258 F265 F266 V271 T272 P490I18-L268 HydrophobicContact CD1-CB 4.13Å; I18-L268 HydrophobicContact CG1-CB 4.24Å; I258-L268 HydrophobicContact CD1-CD2 4.36Å; F265-L268 PolarHBondContact O-N 2.89Å; F266-L268 VanDerWaalsContact C-N 3.29Å; F266-L268 PolarHBondContact O-N 3.25Å; L268-V271 PolarHBondContact O-N 3.26Å; L268-T272 WeakPolarHBondContact O-CB 3.33Å; L268-T272 PolarHBondContact O-N 3.32Å; L268-T272 PolarHBondContact O-OG1 3.12Å; L268-P490 HydrophobicContact CD1-CB 3.67Å; L268-P490 HydrophobicContact CD1-CG 4.34Å
269L96.7Very high94.7Very high0 Ų011.6 Ų11.60%06%0.062CC..Hα-helixtrans-58-48.8170.7-80.7169.5000110.9M15 I18 L129 L130 F265 F266 N267 V271 T272 L273M15-L269 HydrophobicContact CE-CD2 3.97Å; M15-L269 HydrophobicContact SD-CD2 3.69Å; I18-L269 HydrophobicContact CD1-CD2 3.89Å; I18-L269 HydrophobicContact CD1-CG 4.09Å; I18-L269 HydrophobicContact CG2-CD2 3.8Å; I18-L269 HydrophobicContact CG2-CG 3.92Å; L129-L269 HydrophobicContact CB-CD1 4.3Å; L129-L269 HydrophobicContact CD2-CB 3.92Å; L129-L269 HydrophobicContact CD2-CD1 4.12Å; L129-L269 HydrophobicContact CG-CD1 4.15Å; L130-L269 HydrophobicContact CB-CD1 4.09Å; L130-L269 HydrophobicContact CD1-CD2 4.13Å; F265-L269 HydrophobicContact CD2-CD1 3.67Å; F265-L269 HydrophobicContact CD2-CG 4.27Å; F265-L269 HydrophobicContact CE2-CD1 3.96Å; F265-L269 PolarHBondContact O-N 3.07Å; F266-L269 WeakPolarHBondContact O-CB 3.36Å; F266-L269 PolarHBondContact O-N 3.16Å; N267-L269 VanDerWaalsContact C-N 3.34Å; L269-V271 PolarHBondContact O-N 3.35Å; L269-T272 CarbonylContact O-C 3.33Å; L269-T272 WeakPolarHBondContact O-CA 3.37Å; L269-T272 WeakPolarHBondContact O-CB 3.27Å; L269-T272 PolarHBondContact O-N 3.48Å; L269-T272 VanDerWaalsContact O-N 3.09Å; L269-L273 WeakPolarHBondContact O-CG 3.28Å; L269-L273 PolarHBondContact O-N 3.27Å
270T96.7Very high94.2Very high0 Ų08 Ų80%04%0.043CC..Hα-helixtrans-63.5-41.3-178.3-52.80000112.1L167 L170 M171 Q254 F266 N267 T272 L273 C274L167-T270 HydrophobicContact CD1-CG2 4.2Å; L170-T270 HydrophobicContact CD2-CG2 4.1Å; M171-T270 HydrophobicContact SD-CG2 3.93Å; Q254-T270 HydrophobicContact CG-CG2 3.88Å; F266-T270 PolarHBondContact O-N 2.74Å; F266-T270 PolarHBondContact O-OG1 2.91Å; F266-T270 VanDerWaalsContact O-OG1 3.09Å; N267-T270 PolarHBondContact O-N 3.2Å; T270-T272 VanDerWaalsContact C-N 3.32Å; T270-T272 PolarHBondContact O-N 3.31Å; T270-L273 PolarHBondContact O-N 3.49Å; T270-C274 PolarHBondContact O-N 2.96Å; T270-C274 PolarHBondContact O-SG 3.06Å
271V97.4Very high93.8Very high36 Ų3613.5 Ų13.522%0.2186%0.063CC..Hα-helixtrans-61.7-40.8172.7170.90000111.1L251 Q254 N267 L268 L269 C274L251-V271 HydrophobicContact CD1-CG1 3.8Å; L251-V271 HydrophobicContact CD1-CG2 3.95Å; Q254-V271 HydrophobicContact CB-CG2 3.58Å; Q254-V271 HydrophobicContact CG-CG2 3.98Å; N267-V271 WeakPolarHBondContact O-CG2 3.41Å; N267-V271 PolarHBondContact O-N 3.43Å; L268-V271 PolarHBondContact O-N 3.26Å; L269-V271 PolarHBondContact O-N 3.35Å; V271-C274 VanDerWaalsContact O-CB 3.32Å; V271-C274 WeakPolarHBondContact O-CB 3.12Å; V271-C274 PolarHBondContact O-N 2.96Å
272T97.4Very high93.5Very high6 Ų614.2 Ų14.24%0.0377%0.066CC..Hα-helixtrans-63.8-43.1176.8-58.80000111.3F11 C14 M15 I18 L268 L269 T270 C274 L275F11-T272 HydrophobicContact CD2-CG2 3.5Å; F11-T272 WeakPolarHBondContact CD2-O 3.33Å; F11-T272 HydrophobicContact CE2-CG2 3.8Å; F11-T272 HydrophobicContact CG-CG2 4.36Å; C14-T272 HydrophobicContact CB-CG2 3.57Å; C14-T272 WeakPolarHBondContact CB-OG1 3.29Å; M15-T272 HydrophobicContact CG-CG2 3.87Å; M15-T272 HydrophobicContact SD-CG2 3.99Å; I18-T272 WeakPolarHBondContact CD1-OG1 3.46Å; L268-T272 WeakPolarHBondContact O-CB 3.33Å; L268-T272 PolarHBondContact O-N 3.32Å; L268-T272 PolarHBondContact O-OG1 3.12Å; L269-T272 CarbonylContact O-C 3.33Å; L269-T272 WeakPolarHBondContact O-CA 3.37Å; L269-T272 WeakPolarHBondContact O-CB 3.27Å; L269-T272 PolarHBondContact O-N 3.48Å; L269-T272 VanDerWaalsContact O-N 3.09Å; T270-T272 VanDerWaalsContact C-N 3.32Å; T270-T272 PolarHBondContact O-N 3.31Å; T272-C274 VanDerWaalsContact C-N 3.26Å; T272-C274 PolarHBondContact O-N 3.45Å; T272-L275 VanDerWaalsContact O-CB 3.24Å; T272-L275 WeakPolarHBondContact O-CB 3.4Å; T272-L275 WeakPolarHBondContact O-CG 3.33Å; T272-L275 PolarHBondContact O-N 3.3Å; T272-L275 VanDerWaalsContact O-N 3.12Å
273L97.6Very high93Very high0 Ų014.6 Ų14.60%07%0.069CC..Hα-helixtrans-61.1-34.4173.9-66.7175.2000112.4F11 L129 T133 I163 L166 L167 L170 L269 T270 L275 S276F11-L273 HydrophobicContact CE2-CD2 4.32Å; L129-L273 HydrophobicContact CD1-CD1 4.13Å; L129-L273 HydrophobicContact CD2-CD1 4.4Å; T133-L273 HydrophobicContact CG2-CD2 3.7Å; I163-L273 HydrophobicContact CG2-CD2 3.63Å; L166-L273 HydrophobicContact CD2-CD1 4.36Å; L166-L273 HydrophobicContact CD2-CD2 3.94Å; L166-L273 HydrophobicContact CG-CD1 4.29Å; L166-L273 HydrophobicContact CG-CD2 4.42Å; L167-L273 HydrophobicContact CB-CB 4.18Å; L167-L273 HydrophobicContact CD1-CB 3.9Å; L167-L273 HydrophobicContact CG-CB 4.47Å; L170-L273 HydrophobicContact CD2-CD1 3.95Å; L269-L273 WeakPolarHBondContact O-CG 3.28Å; L269-L273 PolarHBondContact O-N 3.27Å; T270-L273 PolarHBondContact O-N 3.49Å; L273-L275 PolarHBondContact O-N 2.9Å; L273-S276 VanDerWaalsContact O-CB 3.3Å; L273-S276 WeakPolarHBondContact O-CB 3.12Å; L273-S276 PolarHBondContact O-N 3.28Å; L273-S276 VanDerWaalsContact O-N 3.08Å; L273-S276 PolarHBondContact O-OG 3.38Å
274C97.1Very high92.7Very high0 Ų016.2 Ų16.20%08%0.078CC..Hα-helixtrans-61.3-23.5176.7-66.90000112.8L167 F247 Q250 T270 V271 T272 S276 L277L167-C274 HydrophobicContact CD2-CB 4.48Å; F247-C274 HydrophobicContact CD2-CB 3.72Å; F247-C274 VanDerWaalsContact CD2-O 3.26Å; F247-C274 WeakPolarHBondContact CD2-O 3.33Å; F247-C274 HydrophobicContact CE2-CB 3.77Å; Q250-C274 VanDerWaalsContact CB-SG 3.58Å; T270-C274 PolarHBondContact O-N 2.96Å; T270-C274 PolarHBondContact O-SG 3.06Å; V271-C274 VanDerWaalsContact O-CB 3.32Å; V271-C274 WeakPolarHBondContact O-CB 3.12Å; V271-C274 PolarHBondContact O-N 2.96Å; T272-C274 VanDerWaalsContact C-N 3.26Å; T272-C274 PolarHBondContact O-N 3.45Å; C274-S276 PolarHBondContact O-N 3.14Å; C274-L277 VanDerWaalsContact O-CB 3.28Å; C274-L277 WeakPolarHBondContact O-CB 3.38Å; C274-L277 WeakPolarHBondContact O-CG 3.46Å; C274-L277 PolarHBondContact O-N 3.08Å
275L95.6Very high92.3Very high10 Ų1023 Ų235%0.05211%0.107CC..G310 helixtrans-58.9-21.8174.5-59.3176.5000112.7L10 F11 F247 T272 L273 L277 L278L10-L275 HydrophobicContact CB-CD1 4.22Å; L10-L275 HydrophobicContact CD2-CD1 3.95Å; L10-L275 HydrophobicContact CD2-CD2 3.8Å; L10-L275 HydrophobicContact CG-CD1 3.76Å; F11-L275 HydrophobicContact CB-CD1 4.24Å; F247-L275 HydrophobicContact CE2-CD2 4.45Å; T272-L275 VanDerWaalsContact O-CB 3.24Å; T272-L275 WeakPolarHBondContact O-CB 3.4Å; T272-L275 WeakPolarHBondContact O-CG 3.33Å; T272-L275 PolarHBondContact O-N 3.3Å; T272-L275 VanDerWaalsContact O-N 3.12Å; L273-L275 PolarHBondContact O-N 2.9Å; L275-L277 PolarHBondContact O-N 3.35Å; L275-L277 VanDerWaalsContact O-N 3.1Å; L275-L278 HydrophobicContact CD2-CD1 3.69Å; L275-L278 PolarHBondContact O-N 3.45Å; L275-L278 VanDerWaalsContact O-N 3.1Å
276S94.8Very high91.8Very high0 Ų027.7 Ų27.70%013%0.125CC..G310 helixtrans-62.5-11.5172.669.10000115.2F160 R164 L273 C274F160-S276 VanDerWaalsContact CE1-CA 3.45Å; R164-S276 WeakPolarHBondContact CA-OG 2.9Å; R164-S276 PolarHBondContact NE-O 2.83Å; R164-S276 PolarHBondContact NH2-O 3.4Å; L273-S276 VanDerWaalsContact O-CB 3.3Å; L273-S276 WeakPolarHBondContact O-CB 3.12Å; L273-S276 PolarHBondContact O-N 3.28Å; L273-S276 VanDerWaalsContact O-N 3.08Å; L273-S276 PolarHBondContact O-OG 3.38Å; C274-S276 PolarHBondContact O-N 3.14Å
277L93.9Very high91.2Very high0 Ų031.9 Ų31.90%015%0.147CC..G310 helixtrans-93.4-13.4178.1-57.5-177.3000112.9R164 L167 F235 R243 F247 C274 L275R164-L277 HydrophobicContact CG-CD2 4.01Å; L167-L277 HydrophobicContact CD2-CD1 3.96Å; L167-L277 HydrophobicContact CD2-CD2 4.44Å; L167-L277 HydrophobicContact CD2-CG 4.1Å; F235-L277 HydrophobicContact CB-CD2 3.7Å; F235-L277 HydrophobicContact CD1-CD1 3.6Å; F235-L277 HydrophobicContact CD1-CD2 3.86Å; F235-L277 HydrophobicContact CD1-CG 4.41Å; F235-L277 HydrophobicContact CE1-CD1 3.7Å; F235-L277 HydrophobicContact CG-CD1 4.29Å; F235-L277 HydrophobicContact CG-CD2 3.82Å; F235-L277 HydrophobicContact CZ-CD1 4.46Å; R243-L277 WeakPolarHBondContact CD-O 3.36Å; R243-L277 HydrophobicContact CG-CB 3.86Å; R243-L277 HydrophobicContact CG-CD2 3.95Å; R243-L277 HydrophobicContact CG-CG 4.43Å; R243-L277 WeakPolarHBondContact CG-O 3.44Å; R243-L277 PolarHBondContact NE-O 2.9Å; F247-L277 HydrophobicContact CB-CB 4.06Å; F247-L277 HydrophobicContact CB-CD1 4.06Å; F247-L277 HydrophobicContact CD2-CB 4.45Å; C274-L277 VanDerWaalsContact O-CB 3.28Å; C274-L277 WeakPolarHBondContact O-CB 3.38Å; C274-L277 WeakPolarHBondContact O-CG 3.46Å; C274-L277 PolarHBondContact O-N 3.08Å; L275-L277 PolarHBondContact O-N 3.35Å; L275-L277 VanDerWaalsContact O-N 3.1Å
278L92.4Very high90.4Very high1 Ų143 Ų431%0.00519%0.189CC..  trans-87164.1-176.6-58.7-179000112.5P7 L244 F247 L275 W286P7-L278 HydrophobicContact CB-CB 4.27Å; P7-L278 HydrophobicContact CG-CB 3.97Å; L244-L278 HydrophobicContact CD2-CD2 3.66Å; F247-L278 HydrophobicContact CB-CD2 4.41Å; F247-L278 HydrophobicContact CD1-CD2 3.82Å; F247-L278 HydrophobicContact CD2-CD2 3.86Å; F247-L278 HydrophobicContact CD2-CG 4.08Å; F247-L278 HydrophobicContact CE1-CD2 4.05Å; F247-L278 HydrophobicContact CE2-CD1 4.01Å; F247-L278 HydrophobicContact CE2-CD2 4.08Å; F247-L278 HydrophobicContact CE2-CG 4.06Å; F247-L278 HydrophobicContact CG-CD2 3.73Å; F247-L278 HydrophobicContact CG-CG 4.46Å; F247-L278 HydrophobicContact CZ-CD1 4.09Å; F247-L278 HydrophobicContact CZ-CD2 4.19Å; F247-L278 HydrophobicContact CZ-CG 4.44Å; L275-L278 HydrophobicContact CD2-CD1 3.69Å; L275-L278 PolarHBondContact O-N 3.45Å; L275-L278 VanDerWaalsContact O-N 3.1Å; L278-W286 HydrophobicContact CD1-CH2 3.49Å; L278-W286 VanDerWaalsContact CD1-CH2 3.49Å; L278-W286 HydrophobicContact CD1-CZ3 3.54Å; L278-W286 HydrophobicContact CD2-CH2 4.26Å
279D89.1Confident89.3Confident4 Ų446.8 Ų46.82%0.02120%0.203CC..  trans-129.9159.8172.564.2-28000111.1R240 R281 H282 V283R240-D279 WeakPolarHBondContact CD-OD2 3.48Å; R240-D279 IonicContact CZ-OD1 2.96Å; R240-D279 IonicContact CZ-OD2 3.53Å; R240-D279 VanDerWaalsContact NE-CG 3.34Å; R240-D279 IonicContact NE-OD1 3.27Å; R240-D279 PolarHBondContact NE-OD1 2.93Å; R240-D279 IonicContact NE-OD2 3.91Å; R240-D279 PolarHBondContact NE-OD2 3.14Å; R240-D279 IonicContact NH2-OD1 2.91Å; R240-D279 PolarHBondContact NH2-OD1 3.4Å; R240-D279 VanDerWaalsContact NH2-OD1 3.14Å; R240-D279 IonicContact NH2-OD2 2.68Å; D279-R281 PolarHBondContact O-N 3.43Å; D279-H282 WeakPolarHBondContact O-CB 3.31Å; D279-H282 PolarHBondContact O-N 3.14Å; D279-H282 VanDerWaalsContact OD1-CB 3.27Å; D279-H282 WeakPolarHBondContact OD1-CB 3.42Å; D279-V283 PolarHBondContact O-N 3.45Å; D279-V283 VanDerWaalsContact O-N 3.17Å
280D85.6Confident87.4Confident13 Ų1351.2 Ų51.27%0.0724%0.24CC..Hα-helixtrans-57.3-38-174.5-74.1-7.7000112.3E3 I4 I5 L6 P7 H282 V283 N284E3-D280 VanDerWaalsContact C-OD2 3.29Å; E3-D280 HydrophobicContact CB-CB 4.12Å; E3-D280 WeakPolarHBondContact CB-OD2 2.98Å; E3-D280 WeakPolarHBondContact O-CB 3.47Å; E3-D280 PolarHBondContact O-N 2.98Å; I4-D280 VanDerWaalsContact C-OD1 3.27Å; I4-D280 WeakPolarHBondContact CA-OD1 3.43Å; I4-D280 PolarHBondContact N-OD2 2.85Å; I5-D280 WeakPolarHBondContact CB-OD2 3.21Å; I5-D280 PolarHBondContact N-OD1 3.23Å; I5-D280 PolarHBondContact N-OD2 2.9Å; L6-D280 WeakPolarHBondContact CB-OD1 3.34Å; L6-D280 HydrophobicContact CD1-CB 4.33Å; L6-D280 PolarHBondContact N-OD1 3.46Å; P7-D280 WeakPolarHBondContact CD-OD1 2.94Å; D280-H282 VanDerWaalsContact C-N 3.26Å; D280-H282 PolarHBondContact O-N 3.08Å; D280-V283 PolarHBondContact O-N 2.96Å; D280-N284 WeakPolarHBondContact O-CB 3.43Å; D280-N284 PolarHBondContact O-N 3.16Å; D280-N284 PolarHBondContact O-ND2 2.93Å
281R85.4Confident85.5Confident124 Ų12455.5 Ų55.547%0.46826%0.263SS..Hα-helixtrans-55.6-40173.6-67.5-175.6-179.2-170.4-0.1112.2D279 F285D279-R281 PolarHBondContact O-N 3.43Å; R281-F285 WeakPolarHBondContact O-CB 3.47Å; R281-F285 PolarHBondContact O-N 2.66Å; R281-F285 VanDerWaalsContact O-N 3.12Å
282H86.9Confident83.2Confident15 Ų1563.8 Ų63.87%0.06930%0.296CS..Hα-helixtrans-75.6-36.8-179.8-164.175.5000112.3L244 Y248 D279 D280 F285 W286L244-H282 HydrophobicContact CD2-CB 4.3Å; Y248-H282 AromaticContact CZ-NE2 3.75Å; Y248-H282 PolarHBondContact OH-CE1 3.08Å; Y248-H282 PolarHBondContact OH-NE2 3.23Å; D279-H282 WeakPolarHBondContact O-CB 3.31Å; D279-H282 PolarHBondContact O-N 3.14Å; D279-H282 VanDerWaalsContact OD1-CB 3.27Å; D279-H282 WeakPolarHBondContact OD1-CB 3.42Å; D280-H282 VanDerWaalsContact C-N 3.26Å; D280-H282 PolarHBondContact O-N 3.08Å; H282-F285 WeakPolarHBondContact O-CB 3.4Å; H282-F285 PolarHBondContact O-N 3.27Å; H282-W286 AromaticContact CD2-CE2 3.48Å; H282-W286 VanDerWaalsContact CD2-CE2 3.48Å; H282-W286 AromaticContact CD2-CZ2 3.57Å; H282-W286 AromaticContact CD2-NE1 3.72Å; H282-W286 AromaticContact CE1-NE1 3.88Å; H282-W286 AromaticContact NE2-CE2 3.21Å; H282-W286 AromaticContact NE2-CZ2 3.3Å; H282-W286 VanDerWaalsContact NE2-CZ2 3.3Å; H282-W286 WeakPolarHBondContact NE2-CZ2 3.31Å; H282-W286 AromaticContact NE2-NE1 3.12Å; H282-W286 PolarHBondContact NE2-NE1 3Å; H282-W286 VanDerWaalsContact NE2-NE1 3.12Å; H282-W286 PolarHBondContact O-N 3.46Å
283V83.9Confident80.9Confident11 Ų1166.5 Ų66.57%0.06732%0.315CS..Hα-helixtrans-68.8-39.7176.2-176.90000111L6 P7 D279 D280 F285 W286 L287L6-V283 HydrophobicContact CB-CB 3.98Å; L6-V283 HydrophobicContact CB-CG1 3.82Å; L6-V283 HydrophobicContact CB-CG2 4.34Å; L6-V283 HydrophobicContact CD1-CB 4.16Å; L6-V283 HydrophobicContact CD1-CG1 4.15Å; P7-V283 HydrophobicContact CG-CG2 3.78Å; D279-V283 PolarHBondContact O-N 3.45Å; D279-V283 VanDerWaalsContact O-N 3.17Å; D280-V283 PolarHBondContact O-N 2.96Å; V283-F285 VanDerWaalsContact C-N 3.34Å; V283-F285 PolarHBondContact O-N 2.94Å; V283-W286 WeakPolarHBondContact O-CB 3.27Å; V283-W286 PolarHBondContact O-N 2.91Å; V283-L287 HydrophobicContact CG1-CD1 4.14Å; V283-L287 WeakPolarHBondContact O-CG 3.26Å; V283-L287 PolarHBondContact O-N 2.66Å
284N85.5Confident78.2Confident43 Ų4370.5 Ų70.523%0.2336%0.356CS..Hα-helixtrans-62.1-41.2173.4-76.8-27.6000112.2L6 D280 W286 L287 R288 K289L6-N284 WeakPolarHBondContact CD1-OD1 3.18Å; D280-N284 WeakPolarHBondContact O-CB 3.43Å; D280-N284 PolarHBondContact O-N 3.16Å; D280-N284 PolarHBondContact O-ND2 2.93Å; N284-W286 VanDerWaalsContact C-N 3.34Å; N284-W286 PolarHBondContact O-N 3.43Å; N284-L287 CarbonylContact O-C 3.54Å; N284-L287 PolarHBondContact O-N 2.97Å; N284-L287 VanDerWaalsContact O-N 3.16Å; N284-R288 PolarHBondContact O-N 3.49Å; N284-R288 VanDerWaalsContact O-N 3.08Å; N284-K289 PolarHBondContact O-N 3.22Å; N284-K289 VanDerWaalsContact O-N 3.15Å
285F83.3Confident75.7Confident144 Ų14474.9 Ų74.963%0.63238%0.38SS*.Hα-helixtrans-57.2-45172.1171.5-100.1000112R281 H282 V283 L287 R288R281-F285 WeakPolarHBondContact O-CB 3.47Å; R281-F285 PolarHBondContact O-N 2.66Å; R281-F285 VanDerWaalsContact O-N 3.12Å; H282-F285 WeakPolarHBondContact O-CB 3.4Å; H282-F285 PolarHBondContact O-N 3.27Å; V283-F285 VanDerWaalsContact C-N 3.34Å; V283-F285 PolarHBondContact O-N 2.94Å; F285-L287 VanDerWaalsContact C-N 3.33Å; F285-L287 PolarHBondContact O-N 3.43Å; F285-R288 PolarHBondContact O-N 3.38Å; F285-R288 VanDerWaalsContact O-N 3.14Å
286W84.8Confident73.3Confident100 Ų10083.8 Ų83.838%0.37942%0.421SS..Hα-helixtrans-62.8-38.5174.6-73.5-12.7000113.3F247 Y248 L278 H282 V283 N284 R288F247-W286 AromaticContact CE1-CH2 3.62Å; F247-W286 HydrophobicContact CE1-CH2 3.62Å; F247-W286 AromaticContact CE1-CZ2 3.79Å; F247-W286 HydrophobicContact CE1-CZ2 3.79Å; F247-W286 AromaticContact CZ-CH2 3.61Å; F247-W286 HydrophobicContact CZ-CH2 3.61Å; F247-W286 HydrophobicContact CZ-CZ2 4.26Å; Y248-W286 HydrophobicContact CE1-CZ2 4.22Å; Y248-W286 PolarHBondContact OH-NE1 3.42Å; L278-W286 HydrophobicContact CD1-CH2 3.49Å; L278-W286 VanDerWaalsContact CD1-CH2 3.49Å; L278-W286 HydrophobicContact CD1-CZ3 3.54Å; L278-W286 HydrophobicContact CD2-CH2 4.26Å; H282-W286 AromaticContact CD2-CE2 3.48Å; H282-W286 VanDerWaalsContact CD2-CE2 3.48Å; H282-W286 AromaticContact CD2-CZ2 3.57Å; H282-W286 AromaticContact CD2-NE1 3.72Å; H282-W286 AromaticContact CE1-NE1 3.88Å; H282-W286 AromaticContact NE2-CE2 3.21Å; H282-W286 AromaticContact NE2-CZ2 3.3Å; H282-W286 VanDerWaalsContact NE2-CZ2 3.3Å; H282-W286 WeakPolarHBondContact NE2-CZ2 3.31Å; H282-W286 AromaticContact NE2-NE1 3.12Å; H282-W286 PolarHBondContact NE2-NE1 3Å; H282-W286 VanDerWaalsContact NE2-NE1 3.12Å; H282-W286 PolarHBondContact O-N 3.46Å; V283-W286 WeakPolarHBondContact O-CB 3.27Å; V283-W286 PolarHBondContact O-N 2.91Å; N284-W286 VanDerWaalsContact C-N 3.34Å; N284-W286 PolarHBondContact O-N 3.43Å; W286-R288 PolarHBondContact O-N 2.85Å
287L81.1Confident71.1Confident100 Ų10088.5 Ų88.552%0.52445%0.446SS..THydrogen-bonded Turntrans-760.2177.4-66.7173.5000113.3V283 N284 F285 K289V283-L287 HydrophobicContact CG1-CD1 4.14Å; V283-L287 WeakPolarHBondContact O-CG 3.26Å; V283-L287 PolarHBondContact O-N 2.66Å; N284-L287 CarbonylContact O-C 3.54Å; N284-L287 PolarHBondContact O-N 2.97Å; N284-L287 VanDerWaalsContact O-N 3.16Å; F285-L287 VanDerWaalsContact C-N 3.33Å; F285-L287 PolarHBondContact O-N 3.43Å; L287-K289 HydrophobicContact CB-CG 4.25Å; L287-K289 PolarHBondContact O-N 3.35Å; L287-K289 VanDerWaalsContact O-N 3.08Å
288R77.9Confident68.8Low235 Ų23596.2 Ų96.289%0.88749%0.487SS*.THydrogen-bonded Turntrans50.529.5-175-59.5-177.2177.1-174.4-1.1113.1N284 F285 W286N284-R288 PolarHBondContact O-N 3.49Å; N284-R288 VanDerWaalsContact O-N 3.08Å; F285-R288 PolarHBondContact O-N 3.38Å; F285-R288 VanDerWaalsContact O-N 3.14Å; W286-R288 PolarHBondContact O-N 2.85Å
289K72.2Confident67.3Low140 Ų140100.3 Ų100.361%0.60951%0.509SS*.PPolyproline II helixtrans-79.6133.8172-73.6-174.1175.2-175.80107.9N284 L287 D291N284-K289 PolarHBondContact O-N 3.22Å; N284-K289 VanDerWaalsContact O-N 3.15Å; L287-K289 HydrophobicContact CB-CG 4.25Å; L287-K289 PolarHBondContact O-N 3.35Å; L287-K289 VanDerWaalsContact O-N 3.08Å; K289-D291 PolarHBondContact O-N 2.86Å
290A57Low66.2Low93 Ų93102.9 Ų102.977%0.76953%0.528SS*.PPolyproline II helixtrans-56.5127.1173.700000108.7K292A290-K292 PolarHBondContact O-N 2.89Å; A290-K292 VanDerWaalsContact O-N 3.12Å
291D55.8Low66Low90 Ų90111.2 Ų111.248%0.48156%0.563SS.*PPolyproline II helixtrans-61.2117170-100.5-20.1000106.8K289 S293K289-D291 PolarHBondContact O-N 2.86Å; D291-S293 PolarHBondContact O-N 3Å; D291-S293 VanDerWaalsContact O-N 3.16Å
292K50.4Low65.8Low211 Ų211111.2 Ų111.292%0.91757%0.572SS**  trans-71.84.9171.5-79.5-169.9174.4-171.50112.5A290 G294A290-K292 PolarHBondContact O-N 2.89Å; A290-K292 VanDerWaalsContact O-N 3.12Å; K292-G294 PolarHBondContact O-N 3.25Å
293S48.2Very low65.5Low62 Ų62115.5 Ų115.543%0.43460%0.595SS.*  trans-81.286.3176.562.10000110.5D291 D295D291-S293 PolarHBondContact O-N 3Å; D291-S293 VanDerWaalsContact O-N 3.16Å; S293-D295 PolarHBondContact O-N 2.94Å; S293-D295 VanDerWaalsContact O-N 3.08Å
294G41.6Very low65.6Low84 Ų84119.2 Ų119.287%0.86661%0.614SS**  trans-66.781.7139.500000107.4K292K292-G294 PolarHBondContact O-N 3.25Å
295D43.5Very low65.7Low92 Ų92125.1 Ų125.149%0.49263%0.633SS.*  trans-116.789.6171.8-159.925.8000106.3S293 N297S293-D295 PolarHBondContact O-N 2.94Å; S293-D295 VanDerWaalsContact O-N 3.08Å; D295-N297 PolarHBondContact O-N 3.29Å; D295-N297 PolarHBondContact OD2-ND2 2.59Å
296E45.5Very low65.9Low197 Ų197122.6 Ų122.692%0.92163%0.626SS**  trans-61.672.7163.9-73.1-168.8143.200108.8N298E296-N298 PolarHBondContact O-N 3.08Å
297N49.1Very low66.1Low99 Ų99119.6 Ų119.653%0.52962%0.62SS.*  trans-87101178-124-37.2000109.1D295 D299D295-N297 PolarHBondContact O-N 3.29Å; D295-N297 PolarHBondContact OD2-ND2 2.59Å; N297-D299 PolarHBondContact O-N 2.97Å
298N46.7Very low66.5Low162 Ų162120 Ų12087%0.86661%0.614SS**  trans-67.442.5164.5-160.316.7000110.6E296 S300E296-N298 PolarHBondContact O-N 3.08Å; N298-S300 PolarHBondContact O-N 2.83Å
299D59.1Low67.2Low87 Ų87112.6 Ų112.647%0.46559%0.592SS.*  trans-62.2116.7172.3-107.8-15.7000106.7N297 K301N297-D299 PolarHBondContact O-N 2.97Å; D299-K301 PolarHBondContact O-N 3.03Å
300S67.2Low68.2Low58 Ų58109 Ų10941%0.40658%0.582SS.*  trans-46.8119.7-176.256.90000110N298 L302 L303N298-S300 PolarHBondContact O-N 2.83Å; S300-L302 CarbonylContact O-C 3.49Å; S300-L302 PolarHBondContact O-N 3.39Å; S300-L303 PolarHBondContact O-N 3.29Å; S300-L303 WeakPolarHBondContact OG-CD1 3.35Å; S300-L303 WeakPolarHBondContact OG-CG 3.32Å
301K80.1Confident69.9Low188 Ų188106 Ų10682%0.81755%0.552SS**Hα-helixtrans-45.8-27.7-179.2-68.6176.6179.5174.10112.6D299 W305D299-K301 PolarHBondContact O-N 3.03Å; K301-W305 WeakPolarHBondContact O-CB 3.44Å; K301-W305 PolarHBondContact O-N 3.41Å
302L81.3Confident71.7Confident125 Ų125107.6 Ų107.665%0.65456%0.56SS**Hα-helixtrans-60.1-47.8173-61.8178.5000114.2S300 L304 W305 L306S300-L302 CarbonylContact O-C 3.49Å; S300-L302 PolarHBondContact O-N 3.39Å; L302-L304 VanDerWaalsContact C-N 3.34Å; L302-L304 PolarHBondContact O-N 3.04Å; L302-W305 PolarHBondContact O-N 2.88Å; L302-L306 WeakPolarHBondContact O-CB 3.2Å; L302-L306 VanDerWaalsContact O-CG 3.25Å; L302-L306 WeakPolarHBondContact O-CG 3.37Å; L302-L306 PolarHBondContact O-N 2.85Å
303L82.1Confident73.9Confident104 Ų104101.9 Ų101.955%0.54554%0.539SS..Hα-helixtrans-64.3-39.7179-77.9170.5000111.7S300 S307S300-L303 PolarHBondContact O-N 3.29Å; S300-L303 WeakPolarHBondContact OG-CD1 3.35Å; S300-L303 WeakPolarHBondContact OG-CG 3.32Å; L303-S307 VanDerWaalsContact O-CB 3.24Å; L303-S307 WeakPolarHBondContact O-CB 3.46Å; L303-S307 PolarHBondContact O-N 3.4Å
304L84.3Confident76.1Confident90 Ų90100.6 Ų100.647%0.47153%0.528SS..Hα-helixtrans-63.8-43173.9-75.1164.6000111.6L302 S307 R308L302-L304 VanDerWaalsContact C-N 3.34Å; L302-L304 PolarHBondContact O-N 3.04Å; L304-S307 PolarHBondContact O-N 3.27Å; L304-R308 WeakPolarHBondContact O-CG 3.32Å; L304-R308 PolarHBondContact O-N 3.04Å
305W88Confident78.6Confident166 Ų16699 Ų9963%0.62950%0.496SS*.Hα-helixtrans-67.2-42.2177.5-168.284.2000112.2K301 L302 R308 L309K301-W305 WeakPolarHBondContact O-CB 3.44Å; K301-W305 PolarHBondContact O-N 3.41Å; L302-W305 PolarHBondContact O-N 2.88Å; W305-R308 WeakPolarHBondContact O-CB 3.13Å; W305-R308 PolarHBondContact O-N 3.49Å; W305-L309 HydrophobicContact CH2-CD1 3.65Å; W305-L309 HydrophobicContact CZ2-CD1 4.29Å; W305-L309 HydrophobicContact CZ3-CD1 3.78Å; W305-L309 WeakPolarHBondContact O-CB 3.37Å; W305-L309 PolarHBondContact O-N 2.91Å
306L88.4Confident81.1Confident92 Ų9297.2 Ų97.248%0.48249%0.494SS..Hα-helixtrans-61.7-45.5174.3-74.4169.6000111.5L302 R308 L309 V310L302-L306 WeakPolarHBondContact O-CB 3.2Å; L302-L306 VanDerWaalsContact O-CG 3.25Å; L302-L306 WeakPolarHBondContact O-CG 3.37Å; L302-L306 PolarHBondContact O-N 2.85Å; L306-R308 VanDerWaalsContact C-N 3.3Å; L306-R308 PolarHBondContact O-N 2.64Å; L306-L309 PolarHBondContact O-N 2.93Å; L306-L309 VanDerWaalsContact O-N 3.14Å; L306-V310 WeakPolarHBondContact O-CG2 3.06Å; L306-V310 PolarHBondContact O-N 3.12Å
307S88.6Confident83.5Confident36 Ų3692.8 Ų92.825%0.25248%0.476SS..Hα-helixtrans-58.1-42.2175.3176.10000112L239 L303 L304 V310 E311L239-S307 WeakPolarHBondContact CD2-OG 2.99Å; L303-S307 VanDerWaalsContact O-CB 3.24Å; L303-S307 WeakPolarHBondContact O-CB 3.46Å; L303-S307 PolarHBondContact O-N 3.4Å; L304-S307 PolarHBondContact O-N 3.27Å; S307-V310 PolarHBondContact O-N 2.67Å; S307-E311 WeakPolarHBondContact O-CB 3.45Å; S307-E311 PolarHBondContact O-N 3.29Å
308R89.3Confident85.7Confident108 Ų10889.5 Ų89.541%0.40846%0.46SS..Hα-helixtrans-64.1-41173.7-77-65.5-161.9-170.25.1112.8R241 L304 W305 L306 E311 L312R241-R308 VanDerWaalsContact CZ-NH1 3.3Å; R241-R308 VanDerWaalsContact NH1-CD 3.27Å; R241-R308 VanDerWaalsContact NH1-NH1 3.18Å; R241-R308 VanDerWaalsContact NH2-NH2 3.16Å; L304-R308 WeakPolarHBondContact O-CG 3.32Å; L304-R308 PolarHBondContact O-N 3.04Å; W305-R308 WeakPolarHBondContact O-CB 3.13Å; W305-R308 PolarHBondContact O-N 3.49Å; L306-R308 VanDerWaalsContact C-N 3.3Å; L306-R308 PolarHBondContact O-N 2.64Å; R308-E311 WeakPolarHBondContact CD-OE2 3.38Å; R308-E311 IonicContact CZ-OE2 2.96Å; R308-E311 IonicContact NH1-OE1 2.78Å; R308-E311 IonicContact NH1-OE2 3.72Å; R308-E311 PolarHBondContact NH1-OE2 3.49Å; R308-E311 WeakPolarHBondContact O-CB 3.33Å; R308-E311 PolarHBondContact O-N 2.96Å; R308-L312 WeakPolarHBondContact O-CG 3.26Å; R308-L312 PolarHBondContact O-N 3.49Å
309L92.9Very high88Confident80 Ų8086.6 Ų86.642%0.41944%0.443SS..Hα-helixtrans-66.2-42178-173.7143.1000111.3W305 L306 L312 L313W305-L309 HydrophobicContact CH2-CD1 3.65Å; W305-L309 HydrophobicContact CZ2-CD1 4.29Å; W305-L309 HydrophobicContact CZ3-CD1 3.78Å; W305-L309 WeakPolarHBondContact O-CB 3.37Å; W305-L309 PolarHBondContact O-N 2.91Å; L306-L309 PolarHBondContact O-N 2.93Å; L306-L309 VanDerWaalsContact O-N 3.14Å; L309-L312 PolarHBondContact O-N 3.11Å; L309-L313 VanDerWaalsContact O-CB 3.32Å; L309-L313 WeakPolarHBondContact O-CB 3.32Å; L309-L313 PolarHBondContact O-N 3.02Å
310V93Very high89.7Confident66 Ų6688.6 Ų88.640%0.445%0.448SS..Hα-helixtrans-62.8-43174.3174.50000111L239 L306 S307 L313 V314L239-V310 HydrophobicContact CD1-CB 4.12Å; L239-V310 HydrophobicContact CD1-CG1 3.71Å; L306-V310 WeakPolarHBondContact O-CG2 3.06Å; L306-V310 PolarHBondContact O-N 3.12Å; S307-V310 PolarHBondContact O-N 2.67Å; V310-L313 PolarHBondContact O-N 3.33Å; V310-V314 HydrophobicContact CG1-CG2 4.37Å; V310-V314 VanDerWaalsContact O-CG2 3.3Å; V310-V314 WeakPolarHBondContact O-CG2 3.06Å; V310-V314 PolarHBondContact O-N 3.02Å
311E93.3Very high91Very high28 Ų2887.1 Ų87.113%0.13144%0.442CS..Hα-helixtrans-56.6-51.4174.9176.7-176.5-173.800111.5R241 L242 S307 R308 L313 V314 W315R241-E311 WeakPolarHBondContact CD-OE2 3.47Å; R241-E311 IonicContact NH1-OE2 2.73Å; L242-E311 HydrophobicContact CD2-CB 4.43Å; L242-E311 HydrophobicContact CD2-CG 3.95Å; S307-E311 WeakPolarHBondContact O-CB 3.45Å; S307-E311 PolarHBondContact O-N 3.29Å; R308-E311 WeakPolarHBondContact CD-OE2 3.38Å; R308-E311 IonicContact CZ-OE2 2.96Å; R308-E311 IonicContact NH1-OE1 2.78Å; R308-E311 IonicContact NH1-OE2 3.72Å; R308-E311 PolarHBondContact NH1-OE2 3.49Å; R308-E311 WeakPolarHBondContact O-CB 3.33Å; R308-E311 PolarHBondContact O-N 2.96Å; E311-L313 VanDerWaalsContact C-N 3.32Å; E311-L313 PolarHBondContact O-N 3.33Å; E311-V314 PolarHBondContact O-N 3.49Å; E311-W315 PolarHBondContact O-N 3.43Å; E311-W315 VanDerWaalsContact O-N 3.14Å
312L93.9Very high91.7Very high124 Ų12479.3 Ų79.365%0.64941%0.41SS*.Hα-helixtrans-61.7-40.8177.9-71.9173.1000111.9R308 L309 W315 A316R308-L312 WeakPolarHBondContact O-CG 3.26Å; R308-L312 PolarHBondContact O-N 3.49Å; L309-L312 PolarHBondContact O-N 3.11Å; L312-W315 PolarHBondContact O-N 3.47Å; L312-A316 VanDerWaalsContact O-CB 3.25Å; L312-A316 WeakPolarHBondContact O-CB 3.24Å; L312-A316 PolarHBondContact O-N 3.07Å
313L95.4Very high92.3Very high91 Ų9177 Ų7748%0.47640%0.398SS..Hα-helixtrans-63.2-44.8177.8-178.663.7000111.6L309 V310 E311 W315 A316 L317L309-L313 VanDerWaalsContact O-CB 3.32Å; L309-L313 WeakPolarHBondContact O-CB 3.32Å; L309-L313 PolarHBondContact O-N 3.02Å; V310-L313 PolarHBondContact O-N 3.33Å; E311-L313 VanDerWaalsContact C-N 3.32Å; E311-L313 PolarHBondContact O-N 3.33Å; L313-W315 VanDerWaalsContact C-N 3.34Å; L313-W315 PolarHBondContact O-N 3.29Å; L313-A316 PolarHBondContact O-N 3.44Å; L313-L317 HydrophobicContact CD1-CD1 4.14Å; L313-L317 HydrophobicContact CD1-CG 4.11Å; L313-L317 HydrophobicContact CG-CD1 3.97Å; L313-L317 HydrophobicContact CG-CG 4.36Å; L313-L317 WeakPolarHBondContact O-CB 3.48Å; L313-L317 VanDerWaalsContact O-CG 3.24Å; L313-L317 WeakPolarHBondContact O-CG 3.43Å; L313-L317 PolarHBondContact O-N 3.23Å
314V95.3Very high92.9Very high36 Ų3676.6 Ų76.622%0.21840%0.395CS..Hα-helixtrans-60.3-44.6178169.10000110.9L234 L242 V310 E311 T318L234-V314 HydrophobicContact CD2-CG1 3.76Å; L242-V314 HydrophobicContact CD1-CB 4.28Å; L242-V314 HydrophobicContact CD1-CG1 4.2Å; L242-V314 HydrophobicContact CD1-CG2 4.14Å; L242-V314 HydrophobicContact CD2-CB 4.46Å; L242-V314 HydrophobicContact CD2-CG1 4.25Å; V310-V314 HydrophobicContact CG1-CG2 4.37Å; V310-V314 VanDerWaalsContact O-CG2 3.3Å; V310-V314 WeakPolarHBondContact O-CG2 3.06Å; V310-V314 PolarHBondContact O-N 3.02Å; E311-V314 PolarHBondContact O-N 3.49Å; V314-T318 WeakPolarHBondContact O-CB 3.37Å; V314-T318 PolarHBondContact O-N 3.44Å; V314-T318 PolarHBondContact O-OG1 2.96Å
315W94.5Very high93.3Very high50 Ų5074.8 Ų74.819%0.18939%0.39CS..Hα-helixtrans-67.6-43.4176.8-71.3120.8000112.5L234 L242 A245 M249 E311 L312 L313 L317 T318 I319L234-W315 HydrophobicContact CD1-CH2 3.78Å; L234-W315 HydrophobicContact CD1-CZ2 4.17Å; L234-W315 HydrophobicContact CD1-CZ3 4.38Å; L242-W315 HydrophobicContact CD2-CZ2 4.09Å; A245-W315 HydrophobicContact CB-CH2 4.22Å; A245-W315 HydrophobicContact CB-CZ2 3.55Å; M249-W315 HydrophobicContact CE-CE3 4.48Å; M249-W315 HydrophobicContact CE-CH2 3.41Å; M249-W315 VanDerWaalsContact CE-CH2 3.41Å; M249-W315 HydrophobicContact CE-CZ2 4.34Å; M249-W315 HydrophobicContact CE-CZ3 3.49Å; M249-W315 VanDerWaalsContact CE-CZ3 3.49Å; M249-W315 HydrophobicContact SD-CH2 3.84Å; M249-W315 HydrophobicContact SD-CZ3 4.1Å; E311-W315 PolarHBondContact O-N 3.43Å; E311-W315 VanDerWaalsContact O-N 3.14Å; L312-W315 PolarHBondContact O-N 3.47Å; L313-W315 VanDerWaalsContact C-N 3.34Å; L313-W315 PolarHBondContact O-N 3.29Å; W315-L317 VanDerWaalsContact C-N 3.34Å; W315-L317 PolarHBondContact O-N 3.21Å; W315-T318 PolarHBondContact O-N 3.13Å; W315-I319 WeakPolarHBondContact O-CB 3.47Å; W315-I319 VanDerWaalsContact O-CG1 3.26Å; W315-I319 WeakPolarHBondContact O-CG1 3.49Å; W315-I319 PolarHBondContact O-N 2.71Å
316A95.6Very high93.6Very high55 Ų5567.5 Ų67.546%0.45536%0.363SS..Hα-helixtrans-59.2-45176.500000111.3L312 L313 I319 F320L312-A316 VanDerWaalsContact O-CB 3.25Å; L312-A316 WeakPolarHBondContact O-CB 3.24Å; L312-A316 PolarHBondContact O-N 3.07Å; L313-A316 PolarHBondContact O-N 3.44Å; A316-I319 PolarHBondContact O-N 3.39Å; A316-F320 WeakPolarHBondContact O-CB 3.47Å; A316-F320 PolarHBondContact O-N 2.89Å
317L95.9Very high93.8Very high103 Ų10366.4 Ų66.454%0.53936%0.357SS..Hα-helixtrans-65-40.1176.4-71.4174.2000112.3L313 W315 G321L313-L317 HydrophobicContact CD1-CD1 4.14Å; L313-L317 HydrophobicContact CD1-CG 4.11Å; L313-L317 HydrophobicContact CG-CD1 3.97Å; L313-L317 HydrophobicContact CG-CG 4.36Å; L313-L317 WeakPolarHBondContact O-CB 3.48Å; L313-L317 VanDerWaalsContact O-CG 3.24Å; L313-L317 WeakPolarHBondContact O-CG 3.43Å; L313-L317 PolarHBondContact O-N 3.23Å; W315-L317 VanDerWaalsContact C-N 3.34Å; W315-L317 PolarHBondContact O-N 3.21Å; L317-G321 PolarHBondContact O-N 3.15Å
318T94.4Very high93.9Very high31 Ų3166.7 Ų66.719%0.1936%0.355CS..Hα-helixtrans-65.6-44.8177.7-55.90000111V226 V314 W315 T322V226-T318 HydrophobicContact CG1-CG2 4.18Å; V314-T318 WeakPolarHBondContact O-CB 3.37Å; V314-T318 PolarHBondContact O-N 3.44Å; V314-T318 PolarHBondContact O-OG1 2.96Å; W315-T318 PolarHBondContact O-N 3.13Å; T318-T322 WeakPolarHBondContact O-CB 3.48Å; T318-T322 PolarHBondContact O-N 3.29Å; T318-T322 PolarHBondContact O-OG1 2.91Å
319I94.8Very high94Very high101 Ų10166.1 Ų66.152%0.51836%0.358SS..Hα-helixtrans-65.4-49.2177.6-68166.1000110.1W315 A316 G321 T322 I323W315-I319 WeakPolarHBondContact O-CB 3.47Å; W315-I319 VanDerWaalsContact O-CG1 3.26Å; W315-I319 WeakPolarHBondContact O-CG1 3.49Å; W315-I319 PolarHBondContact O-N 2.71Å; A316-I319 PolarHBondContact O-N 3.39Å; I319-G321 PolarHBondContact O-N 3.26Å; I319-T322 WeakPolarHBondContact O-CB 3.5Å; I319-T322 PolarHBondContact O-N 3.45Å; I319-T322 VanDerWaalsContact O-N 3.11Å; I319-I323 HydrophobicContact CG2-CD1 3.89Å; I319-I323 WeakPolarHBondContact O-CG1 3.3Å; I319-I323 PolarHBondContact O-N 3.32Å
320F95.9Very high93.8Very high128 Ų12868 Ų6856%0.56137%0.372SS*.Hα-helixtrans-59.4-45.7178.2179.5-106.6000111.9A316 T322 I323 I324A316-F320 WeakPolarHBondContact O-CB 3.47Å; A316-F320 PolarHBondContact O-N 2.89Å; F320-T322 VanDerWaalsContact C-N 3.3Å; F320-T322 PolarHBondContact O-N 3.5Å; F320-I323 PolarHBondContact O-N 2.87Å; F320-I324 HydrophobicContact CD1-CD1 3.8Å; F320-I324 HydrophobicContact CD2-CD1 4.37Å; F320-I324 HydrophobicContact CE1-CD1 3.25Å; F320-I324 HydrophobicContact CE1-CG1 4.47Å; F320-I324 HydrophobicContact CE2-CD1 3.89Å; F320-I324 HydrophobicContact CG-CD1 4.34Å; F320-I324 HydrophobicContact CZ-CD1 3.32Å; F320-I324 HydrophobicContact CZ-CG1 4.38Å; F320-I324 WeakPolarHBondContact O-CG1 3.45Å; F320-I324 PolarHBondContact O-N 2.99Å
321G93.6Very high93.5Very high28 Ų2868.1 Ų68.129%0.28937%0.37SS..Hα-helixtrans-61.3-38174.500000112.5L317 I319 I324 C325L317-G321 PolarHBondContact O-N 3.15Å; I319-G321 PolarHBondContact O-N 3.26Å; G321-I324 PolarHBondContact O-N 2.69Å; G321-C325 WeakPolarHBondContact O-CB 3.48Å; G321-C325 PolarHBondContact O-N 3.41Å; G321-C325 PolarHBondContact O-SG 2.99Å
322T94.9Very high92.8Very high23 Ų2371.6 Ų71.614%0.14140%0.398CS..Hα-helixtrans-65.9-44175.8-56.50000111.5V222 V226 T318 I319 F320 I324 C325 F326 L328V222-T322 HydrophobicContact CG1-CG2 3.49Å; V222-T322 VanDerWaalsContact CG1-CG2 3.49Å; V226-T322 HydrophobicContact CG2-CG2 3.74Å; V226-T322 WeakPolarHBondContact CG2-OG1 3.25Å; T318-T322 WeakPolarHBondContact O-CB 3.48Å; T318-T322 PolarHBondContact O-N 3.29Å; T318-T322 PolarHBondContact O-OG1 2.91Å; I319-T322 WeakPolarHBondContact O-CB 3.5Å; I319-T322 PolarHBondContact O-N 3.45Å; I319-T322 VanDerWaalsContact O-N 3.11Å; F320-T322 VanDerWaalsContact C-N 3.3Å; F320-T322 PolarHBondContact O-N 3.5Å; T322-I324 VanDerWaalsContact C-N 3.32Å; T322-I324 PolarHBondContact O-N 3.16Å; T322-C325 PolarHBondContact O-N 3.26Å; T322-F326 HydrophobicContact CG2-CD2 3.89Å; T322-F326 HydrophobicContact CG2-CE2 4.44Å; T322-F326 WeakPolarHBondContact O-CB 3.48Å; T322-F326 WeakPolarHBondContact O-CD2 3.38Å; T322-F326 PolarHBondContact O-N 3.14Å; T322-L328 HydrophobicContact CG2-CD1 4.1Å
323I94.6Very high92.1Very high77 Ų7770.7 Ų70.740%0.39541%0.408SS..Hα-helixtrans-59.8-44176.8-67.2165.7000110.5I319 F320 D327 L328I319-I323 HydrophobicContact CG2-CD1 3.89Å; I319-I323 WeakPolarHBondContact O-CG1 3.3Å; I319-I323 PolarHBondContact O-N 3.32Å; F320-I323 PolarHBondContact O-N 2.87Å; I323-D327 VanDerWaalsContact O-CA 3.28Å; I323-D327 WeakPolarHBondContact O-CA 3.38Å; I323-D327 PolarHBondContact O-N 2.99Å; I323-L328 HydrophobicContact CG1-CB 4.4Å; I323-L328 HydrophobicContact CG1-CD1 4.18Å; I323-L328 HydrophobicContact CG2-CB 4.49Å; I323-L328 PolarHBondContact O-N 3.46Å
324I94Very high91.3Very high96 Ų9674.4 Ų74.449%0.49242%0.421SS..Hα-helixtrans-69.4-50.2178.8-69.8175.5000111.7F320 G321 T322 F326 A342F320-I324 HydrophobicContact CD1-CD1 3.8Å; F320-I324 HydrophobicContact CD2-CD1 4.37Å; F320-I324 HydrophobicContact CE1-CD1 3.25Å; F320-I324 HydrophobicContact CE1-CG1 4.47Å; F320-I324 HydrophobicContact CE2-CD1 3.89Å; F320-I324 HydrophobicContact CG-CD1 4.34Å; F320-I324 HydrophobicContact CZ-CD1 3.32Å; F320-I324 HydrophobicContact CZ-CG1 4.38Å; F320-I324 WeakPolarHBondContact O-CG1 3.45Å; F320-I324 PolarHBondContact O-N 2.99Å; G321-I324 PolarHBondContact O-N 2.69Å; T322-I324 VanDerWaalsContact C-N 3.32Å; T322-I324 PolarHBondContact O-N 3.16Å; I324-F326 VanDerWaalsContact C-N 3.25Å; I324-F326 PolarHBondContact O-N 2.95Å; I324-A342 WeakPolarHBondContact O-CB 3.46Å
325C93Very high90.6Very high52 Ų5279.3 Ų79.335%0.35145%0.445SS..Hα-helixtrans-65.9-28.6-174.9-730000112.9G321 T322 A342 F343G321-C325 WeakPolarHBondContact O-CB 3.48Å; G321-C325 PolarHBondContact O-N 3.41Å; G321-C325 PolarHBondContact O-SG 2.99Å; T322-C325 PolarHBondContact O-N 3.26Å; C325-A342 WeakPolarHBondContact O-CB 3.48Å; C325-A342 PolarHBondContact O-N 2.95Å; C325-F343 HydrophobicContact CB-CD1 4.13Å; C325-F343 HydrophobicContact CB-CE1 4.2Å; C325-F343 WeakPolarHBondContact O-CD1 3.35Å
326F94.5Very high90.2Very high13 Ų1377.7 Ų77.76%0.05744%0.443CS..THydrogen-bonded Turntrans-117.913.3-176.1-60.5-73.5000114.5L189 V222 F225 T322 I324 L328 R340 T341 F343L189-F326 HydrophobicContact CD1-CD1 4.11Å; L189-F326 HydrophobicContact CD2-CD1 3.93Å; L189-F326 HydrophobicContact CD2-CE1 3.92Å; V222-F326 HydrophobicContact CB-CD2 4.5Å; V222-F326 HydrophobicContact CG1-CB 4.35Å; V222-F326 HydrophobicContact CG1-CD2 3.62Å; V222-F326 HydrophobicContact CG1-CE2 4.01Å; V222-F326 HydrophobicContact CG1-CG 4Å; V222-F326 HydrophobicContact CG2-CB 3.98Å; V222-F326 HydrophobicContact CG2-CD1 3.93Å; V222-F326 HydrophobicContact CG2-CD2 4.26Å; V222-F326 HydrophobicContact CG2-CE1 4.46Å; V222-F326 HydrophobicContact CG2-CG 3.8Å; F225-F326 HydrophobicContact CB-CE2 4.48Å; F225-F326 HydrophobicContact CB-CZ 3.88Å; F225-F326 AromaticContact CD2-CE1 3.84Å; F225-F326 HydrophobicContact CD2-CE1 3.84Å; F225-F326 AromaticContact CD2-CZ 3.76Å; F225-F326 HydrophobicContact CD2-CZ 3.76Å; F225-F326 HydrophobicContact CE2-CE1 4.41Å; F225-F326 HydrophobicContact CG-CZ 4.14Å; T322-F326 HydrophobicContact CG2-CD2 3.89Å; T322-F326 HydrophobicContact CG2-CE2 4.44Å; T322-F326 WeakPolarHBondContact O-CB 3.48Å; T322-F326 WeakPolarHBondContact O-CD2 3.38Å; T322-F326 PolarHBondContact O-N 3.14Å; I324-F326 VanDerWaalsContact C-N 3.25Å; I324-F326 PolarHBondContact O-N 2.95Å; F326-L328 VanDerWaalsContact C-N 3.3Å; F326-L328 HydrophobicContact CB-CD2 4.13Å; F326-L328 HydrophobicContact CB-CG 4.3Å; F326-L328 PolarHBondContact O-N 3.42Å; F326-R340 CarbonylContact C-O 3.54Å; F326-R340 WeakPolarHBondContact CA-O 3.39Å; F326-R340 CarbonylContact O-C 3.58Å; F326-R340 PolarHBondContact O-N 2.98Å; F326-T341 HydrophobicContact CD1-CG2 4.12Å; F326-T341 HydrophobicContact CE1-CG2 4.13Å; F326-F343 HydrophobicContact CE1-CE1 4.2Å; F326-F343 HydrophobicContact CZ-CE1 4.48Å
327D92.8Very high89.9Confident69 Ų6976.5 Ų76.537%0.36943%0.43SS..THydrogen-bonded Turntrans40.856.8176.7-17124.3000112.1I323 Q329 R340 A342I323-D327 VanDerWaalsContact O-CA 3.28Å; I323-D327 WeakPolarHBondContact O-CA 3.38Å; I323-D327 PolarHBondContact O-N 2.99Å; D327-Q329 PolarHBondContact O-N 3.28Å; D327-Q329 PolarHBondContact OD1-NE2 3.15Å; D327-Q329 PolarHBondContact OD2-NE2 2.86Å; D327-R340 PolarHBondContact N-O 3.11Å; D327-A342 HydrophobicContact CB-CB 4.22Å
328L91.4Very high89.6Confident41 Ų4174.2 Ų74.222%0.21542%0.422CS..  trans-74.8110.9-174.7-63.8-177.7000110T322 I323 F326 V337T322-L328 HydrophobicContact CG2-CD1 4.1Å; I323-L328 HydrophobicContact CG1-CB 4.4Å; I323-L328 HydrophobicContact CG1-CD1 4.18Å; I323-L328 HydrophobicContact CG2-CB 4.49Å; I323-L328 PolarHBondContact O-N 3.46Å; F326-L328 VanDerWaalsContact C-N 3.3Å; F326-L328 HydrophobicContact CB-CD2 4.13Å; F326-L328 HydrophobicContact CB-CG 4.3Å; F326-L328 PolarHBondContact O-N 3.42Å; L328-V337 HydrophobicContact CD2-CG1 4.42Å
329Q90.2Very high89.5Confident97 Ų9772.9 Ų72.945%0.45341%0.414SS..EExtended strand (participates in β ladder)trans-118.9131.9178.7-61.6179.41300110.1D327 S338D327-Q329 PolarHBondContact O-N 3.28Å; D327-Q329 PolarHBondContact OD1-NE2 3.15Å; D327-Q329 PolarHBondContact OD2-NE2 2.86Å; Q329-S338 PolarHBondContact N-O 2.98Å; Q329-S338 PolarHBondContact O-N 3.3Å
330V89.1Confident89.4Confident119 Ų11976.4 Ų76.472%0.72142%0.421SS*.EExtended strand (participates in β ladder)trans-94.5108.8179.1-178.50000109S332V330-S332 PolarHBondContact O-N 2.9Å
331D86Confident89.2Confident68 Ų6871.5 Ų71.536%0.36440%0.402SS..EExtended strand (participates in β ladder)trans-83.890.5175.5-74.1-36000109.6A333 K334 N335 A336D331-A333 PolarHBondContact O-N 2.66Å; D331-A333 VanDerWaalsContact O-N 3.08Å; D331-K334 HydrophobicContact CB-CB 4.48Å; D331-K334 PolarHBondContact O-N 2.85Å; D331-K334 VanDerWaalsContact O-N 3.08Å; D331-N335 PolarHBondContact O-N 3.41Å; D331-N335 VanDerWaalsContact O-N 3.08Å; D331-A336 PolarHBondContact N-O 3.3Å; D331-A336 PolarHBondContact O-N 2.91Å
332S79.3Confident89.2Confident101 Ų10173 Ų7371%0.70641%0.412SS*.THydrogen-bonded Turntrans-59.8-21.4-179.5-169.60000113.7V330V330-S332 PolarHBondContact O-N 2.9Å
333A78.4Confident89.1Confident105 Ų10573.8 Ų73.887%0.86841%0.413SS*.THydrogen-bonded Turntrans-77.6-26.1178.200000113.5D331D331-A333 PolarHBondContact O-N 2.66Å; D331-A333 VanDerWaalsContact O-N 3.08Å
334K78.2Confident89.1Confident170 Ų17073.7 Ų73.774%0.73942%0.416SS*.THydrogen-bonded Turntrans-112.4-0-177.2-65.2-178.4-177.8173.50112.9D331 A336D331-K334 HydrophobicContact CB-CB 4.48Å; D331-K334 PolarHBondContact O-N 2.85Å; D331-K334 VanDerWaalsContact O-N 3.08Å; K334-A336 HydrophobicContact CB-CB 4.08Å; K334-A336 PolarHBondContact O-N 3.47Å; K334-A336 VanDerWaalsContact O-N 3.17Å
335N81.4Confident89Confident138 Ų13872.2 Ų72.274%0.73841%0.405SS*.THydrogen-bonded Turntrans46.439.8-169.1-67.9-28.1000112D331D331-N335 PolarHBondContact O-N 3.41Å; D331-N335 VanDerWaalsContact O-N 3.08Å
336A87.1Confident88.9Confident16 Ų1676.2 Ų76.213%0.13242%0.418CS..EExtended strand (participates in β ladder)trans-126.6151.5-174.800000110.5W215 D331 K334W215-A336 HydrophobicContact CB-CB 4.28Å; W215-A336 HydrophobicContact CG-CB 4.02Å; D331-A336 PolarHBondContact N-O 3.3Å; D331-A336 PolarHBondContact O-N 2.91Å; K334-A336 HydrophobicContact CB-CB 4.08Å; K334-A336 PolarHBondContact O-N 3.47Å; K334-A336 VanDerWaalsContact O-N 3.17Å
337V89.3Confident88.8Confident31 Ų3180.4 Ų80.419%0.18844%0.438CS..EExtended strand (participates in β ladder)trans-103115.3175.4-177.40000108.9W215 L328W215-V337 HydrophobicContact CE3-CB 4.24Å; W215-V337 HydrophobicContact CE3-CG2 4.29Å; W215-V337 HydrophobicContact CZ3-CG2 4.28Å; L328-V337 HydrophobicContact CD2-CG1 4.42Å
338S89.1Confident88.8Confident54 Ų5477.7 Ų77.738%0.37842%0.423SS..EExtended strand (participates in β ladder)trans-79.2135.2169.2-1720000109.1Q329Q329-S338 PolarHBondContact N-O 2.98Å; Q329-S338 PolarHBondContact O-N 3.3Å
339S92Very high88.8Confident3 Ų377.8 Ų77.82%0.02142%0.424CS..  trans-145132-175.931.30000109.7K218K218-S339 VanDerWaalsContact CB-OG 3.31Å; K218-S339 WeakPolarHBondContact CB-OG 3.46Å
340R91.6Very high88.8Confident176 Ų17678.5 Ų78.566%0.66443%0.427SS*.  trans-149.1138.8-177.7-179-177.4176.3-178.20.9110.6F326 D327 A342F326-R340 CarbonylContact C-O 3.54Å; F326-R340 WeakPolarHBondContact CA-O 3.39Å; F326-R340 CarbonylContact O-C 3.58Å; F326-R340 PolarHBondContact O-N 2.98Å; D327-R340 PolarHBondContact N-O 3.11Å; R340-A342 PolarHBondContact O-N 3.2Å; R340-A342 VanDerWaalsContact O-N 3.13Å
341T93.1Very high88.9Confident25 Ų2577.1 Ų77.115%0.15341%0.411CS..  trans-61.8115.9170.645.50000111.3W187 L189 F326W187-T341 HydrophobicContact CE3-CG2 4.34Å; W187-T341 WeakPolarHBondContact O-CG2 3.35Å; W187-T341 PolarHBondContact O-OG1 3.12Å; L189-T341 HydrophobicContact CD2-CG2 3.88Å; L189-T341 HydrophobicContact CG-CG2 4.15Å; F326-T341 HydrophobicContact CD1-CG2 4.12Å; F326-T341 HydrophobicContact CE1-CG2 4.13Å
342A93.3Very high89.1Confident60 Ų6074 Ų7450%0.49640%0.395SS..  trans-94.6-1.2-176.200000113.4I324 C325 D327 R340I324-A342 WeakPolarHBondContact O-CB 3.46Å; C325-A342 WeakPolarHBondContact O-CB 3.48Å; C325-A342 PolarHBondContact O-N 2.95Å; D327-A342 HydrophobicContact CB-CB 4.22Å; R340-A342 PolarHBondContact O-N 3.2Å; R340-A342 VanDerWaalsContact O-N 3.13Å
343F93.4Very high89.6Confident38 Ų3874 Ų7417%0.16738%0.382CS..SBendtrans-114.8157178.461-88.6000111.4L179 W187 C325 F326 F348L179-F343 HydrophobicContact CD1-CE2 4.42Å; L179-F343 HydrophobicContact CD1-CZ 4.13Å; W187-F343 AromaticContact CH2-CD2 3.71Å; W187-F343 HydrophobicContact CH2-CD2 3.71Å; W187-F343 AromaticContact CH2-CE2 3.37Å; W187-F343 HydrophobicContact CH2-CE2 3.37Å; W187-F343 HydrophobicContact CH2-CZ 4.4Å; W187-F343 HydrophobicContact CZ2-CE2 4.4Å; W187-F343 AromaticContact CZ3-CD2 3.67Å; W187-F343 HydrophobicContact CZ3-CD2 3.67Å; W187-F343 AromaticContact CZ3-CE2 3.43Å; W187-F343 HydrophobicContact CZ3-CE2 3.43Å; W187-F343 VanDerWaalsContact CZ3-CE2 3.43Å; W187-F343 HydrophobicContact CZ3-CZ 4.19Å; W187-F343 WeakPolarHBondContact CZ3-O 3.46Å; C325-F343 HydrophobicContact CB-CD1 4.13Å; C325-F343 HydrophobicContact CB-CE1 4.2Å; C325-F343 WeakPolarHBondContact O-CD1 3.35Å; F326-F343 HydrophobicContact CE1-CE1 4.2Å; F326-F343 HydrophobicContact CZ-CE1 4.48Å; F343-F348 HydrophobicContact CD2-CB 3.88Å; F343-F348 HydrophobicContact CE2-CB 3.83Å; F343-F348 AromaticContact CE2-CD2 3.89Å; F343-F348 HydrophobicContact CE2-CD2 3.89Å; F343-F348 HydrophobicContact CE2-CG 4.05Å
344T93.7Very high90.1Very high76 Ų7673.4 Ų73.447%0.46637%0.368SS..  trans-93160.6177.864.40000111.8H346 Q347 F348T344-H346 PolarHBondContact O-N 3.44Å; T344-Q347 PolarHBondContact O-N 3.29Å; T344-Q347 WeakPolarHBondContact OG1-CG 3.42Å; T344-Q347 PolarHBondContact OG1-N 3.44Å; T344-Q347 PolarHBondContact OG1-OE1 3.48Å; T344-F348 PolarHBondContact O-N 3.35Å
345Y91.7Very high90.7Very high64 Ų6466.6 Ų66.625%0.25134%0.34SS..Hα-helixtrans-56.2-37.7172.9177.2-94.9000112.8R182 W187 F348 N349R182-Y345 HydrophobicContact CG-CD2 3.8Å; R182-Y345 HydrophobicContact CG-CE2 3.54Å; R182-Y345 VanDerWaalsContact CZ-CE1 3.48Å; R182-Y345 VanDerWaalsContact NE-CE1 3.32Å; R182-Y345 PolarHBondContact NE-OH 3.36Å; R182-Y345 PolarHBondContact NH2-OH 3.46Å; W187-Y345 AromaticContact CZ2-CD2 3.86Å; W187-Y345 HydrophobicContact CZ2-CD2 3.86Å; W187-Y345 HydrophobicContact CZ2-CG 4.46Å; Y345-F348 PolarHBondContact O-N 3.27Å; Y345-N349 WeakPolarHBondContact CE1-ND2 3.31Å; Y345-N349 PolarHBondContact O-N 3.24Å; Y345-N349 PolarHBondContact OH-ND2 3.13Å; Y345-N349 VanDerWaalsContact OH-ND2 3.12Å
346H91.2Very high91Very high137 Ų13760 Ų6063%0.63431%0.305SS*.Hα-helixtrans-65.4-46177.4-175.3-79.1000111.6T344 F348 N349 Q350T344-H346 PolarHBondContact O-N 3.44Å; H346-F348 VanDerWaalsContact C-N 3.31Å; H346-F348 PolarHBondContact O-N 3Å; H346-N349 PolarHBondContact O-N 2.88Å; H346-Q350 WeakPolarHBondContact O-CB 3.16Å; H346-Q350 PolarHBondContact O-N 3.43Å
347Q93.4Very high91.1Very high101 Ų10162.1 Ų62.147%0.47231%0.313SS..Hα-helixtrans-61-40.5175.8-73.7166-28.200111.6T344 Q350 F351T344-Q347 PolarHBondContact O-N 3.29Å; T344-Q347 WeakPolarHBondContact OG1-CG 3.42Å; T344-Q347 PolarHBondContact OG1-N 3.44Å; T344-Q347 PolarHBondContact OG1-OE1 3.48Å; Q347-Q350 PolarHBondContact O-N 3.47Å; Q347-F351 WeakPolarHBondContact O-CB 3.48Å; Q347-F351 PolarHBondContact O-N 2.96Å
348F92.4Very high91.1Very high11 Ų1163.6 Ų63.65%0.04832%0.323CS..Hα-helixtrans-64.9-44.7176.3-177.2-110000112.5V176 L179 T180 W187 F343 T344 Y345 H346 Q350 F351 L352V176-F348 HydrophobicContact CG1-CE1 4.35Å; V176-F348 HydrophobicContact CG1-CZ 4.21Å; L179-F348 HydrophobicContact CB-CD1 3.91Å; L179-F348 HydrophobicContact CB-CE1 3.38Å; L179-F348 HydrophobicContact CB-CE2 4.37Å; L179-F348 HydrophobicContact CB-CZ 3.66Å; L179-F348 HydrophobicContact CD1-CD2 4.01Å; L179-F348 HydrophobicContact CD1-CE1 4.08Å; L179-F348 HydrophobicContact CD1-CE2 3.48Å; L179-F348 VanDerWaalsContact CD1-CE2 3.48Å; L179-F348 HydrophobicContact CD1-CZ 3.52Å; L179-F348 HydrophobicContact CG-CE1 4.38Å; L179-F348 HydrophobicContact CG-CZ 4.22Å; T180-F348 HydrophobicContact CG2-CE1 3.93Å; W187-F348 HydrophobicContact CH2-CB 4.06Å; F343-F348 HydrophobicContact CD2-CB 3.88Å; F343-F348 HydrophobicContact CE2-CB 3.83Å; F343-F348 AromaticContact CE2-CD2 3.89Å; F343-F348 HydrophobicContact CE2-CD2 3.89Å; F343-F348 HydrophobicContact CE2-CG 4.05Å; T344-F348 PolarHBondContact O-N 3.35Å; Y345-F348 PolarHBondContact O-N 3.27Å; H346-F348 VanDerWaalsContact C-N 3.31Å; H346-F348 PolarHBondContact O-N 3Å; F348-Q350 VanDerWaalsContact C-N 3.3Å; F348-Q350 PolarHBondContact O-N 3.47Å; F348-F351 HydrophobicContact CD2-CD1 4.23Å; F348-F351 HydrophobicContact CE2-CD1 4.18Å; F348-F351 HydrophobicContact CE2-CE1 4.48Å; F348-F351 WeakPolarHBondContact O-CB 3.45Å; F348-F351 PolarHBondContact O-N 3.47Å; F348-L352 HydrophobicContact CD1-CD1 4Å; F348-L352 HydrophobicContact CD1-CG 4.33Å; F348-L352 HydrophobicContact CE1-CD1 3.51Å; F348-L352 HydrophobicContact CE1-CD2 4.36Å; F348-L352 HydrophobicContact CE1-CG 3.95Å; F348-L352 HydrophobicContact CE2-CD2 4.41Å; F348-L352 HydrophobicContact CE2-CG 4.45Å; F348-L352 HydrophobicContact CZ-CD1 3.98Å; F348-L352 HydrophobicContact CZ-CD2 3.96Å; F348-L352 HydrophobicContact CZ-CG 4Å; F348-L352 WeakPolarHBondContact O-CG 3.43Å; F348-L352 PolarHBondContact O-N 3.46Å
349N90.8Very high91.3Very high44 Ų4461.1 Ų61.124%0.23531%0.306CS..Hα-helixtrans-63.4-37.8175.1-84.31.9000112.2Y345 H346 L352 K353Y345-N349 WeakPolarHBondContact CE1-ND2 3.31Å; Y345-N349 PolarHBondContact O-N 3.24Å; Y345-N349 PolarHBondContact OH-ND2 3.13Å; Y345-N349 VanDerWaalsContact OH-ND2 3.12Å; H346-N349 PolarHBondContact O-N 2.88Å; N349-L352 PolarHBondContact O-N 3.33Å; N349-K353 WeakPolarHBondContact O-CG 3.4Å; N349-K353 PolarHBondContact O-N 3.25Å
350Q91.1Very high91.2Very high112 Ų11262.1 Ų62.152%0.52331%0.311SS..Hα-helixtrans-63.4-44.6173.8-175.2174.3-300111H346 Q347 F348 L352 K353 T354H346-Q350 WeakPolarHBondContact O-CB 3.16Å; H346-Q350 PolarHBondContact O-N 3.43Å; Q347-Q350 PolarHBondContact O-N 3.47Å; F348-Q350 VanDerWaalsContact C-N 3.3Å; F348-Q350 PolarHBondContact O-N 3.47Å; Q350-L352 VanDerWaalsContact C-N 3.34Å; Q350-L352 PolarHBondContact O-N 2.95Å; Q350-K353 WeakPolarHBondContact O-CB 3.49Å; Q350-K353 PolarHBondContact O-N 2.92Å; Q350-T354 PolarHBondContact O-N 3.04Å; Q350-T354 PolarHBondContact O-OG1 3.32Å
351F91.3Very high91.2Very high90 Ų9061 Ų6140%0.39531%0.307SS..Hα-helixtrans-55.8-46.7171.9166.1-95.9000111.8Q347 F348 K353 T354 V355Q347-F351 WeakPolarHBondContact O-CB 3.48Å; Q347-F351 PolarHBondContact O-N 2.96Å; F348-F351 HydrophobicContact CD2-CD1 4.23Å; F348-F351 HydrophobicContact CE2-CD1 4.18Å; F348-F351 HydrophobicContact CE2-CE1 4.48Å; F348-F351 WeakPolarHBondContact O-CB 3.45Å; F348-F351 PolarHBondContact O-N 3.47Å; F351-K353 PolarHBondContact O-N 3.21Å; F351-T354 CarbonylContact O-C 3.59Å; F351-T354 WeakPolarHBondContact O-CB 3.49Å; F351-T354 PolarHBondContact O-N 3.48Å; F351-T354 VanDerWaalsContact O-N 3.12Å; F351-V355 HydrophobicContact CD2-CG2 3.78Å; F351-V355 HydrophobicContact CE1-CG2 4.27Å; F351-V355 HydrophobicContact CE2-CG2 3.44Å; F351-V355 VanDerWaalsContact CE2-CG2 3.44Å; F351-V355 HydrophobicContact CG-CG2 4.35Å; F351-V355 HydrophobicContact CZ-CB 4.38Å; F351-V355 HydrophobicContact CZ-CG1 4.48Å; F351-V355 HydrophobicContact CZ-CG2 3.71Å; F351-V355 WeakPolarHBondContact O-CB 3.37Å; F351-V355 WeakPolarHBondContact O-CG2 3.42Å; F351-V355 PolarHBondContact O-N 3.47Å
352L90.4Very high91.3Very high2 Ų263 Ų631%0.0132%0.316CS..Hα-helixtrans-59.9-43.6176.6-71179.5000112.2V176 T180 F348 N349 Q350 T354 V355 T356V176-L352 HydrophobicContact CB-CD2 4.39Å; V176-L352 HydrophobicContact CG1-CD1 3.58Å; V176-L352 HydrophobicContact CG1-CD2 3.57Å; V176-L352 HydrophobicContact CG1-CG 4.23Å; V176-L352 HydrophobicContact CG2-CD2 3.82Å; T180-L352 HydrophobicContact CG2-CD1 3.57Å; F348-L352 HydrophobicContact CD1-CD1 4Å; F348-L352 HydrophobicContact CD1-CG 4.33Å; F348-L352 HydrophobicContact CE1-CD1 3.51Å; F348-L352 HydrophobicContact CE1-CD2 4.36Å; F348-L352 HydrophobicContact CE1-CG 3.95Å; F348-L352 HydrophobicContact CE2-CD2 4.41Å; F348-L352 HydrophobicContact CE2-CG 4.45Å; F348-L352 HydrophobicContact CZ-CD1 3.98Å; F348-L352 HydrophobicContact CZ-CD2 3.96Å; F348-L352 HydrophobicContact CZ-CG 4Å; F348-L352 WeakPolarHBondContact O-CG 3.43Å; F348-L352 PolarHBondContact O-N 3.46Å; N349-L352 PolarHBondContact O-N 3.33Å; Q350-L352 VanDerWaalsContact C-N 3.34Å; Q350-L352 PolarHBondContact O-N 2.95Å; L352-T354 VanDerWaalsContact C-N 3.28Å; L352-T354 PolarHBondContact O-N 3.37Å; L352-V355 PolarHBondContact O-N 3.04Å; L352-T356 VanDerWaalsContact O-CB 3.29Å; L352-T356 WeakPolarHBondContact O-CB 3.1Å; L352-T356 PolarHBondContact O-N 3.35Å; L352-T356 PolarHBondContact O-OG1 3.49Å
353K88.4Confident91.2Very high102 Ų10260.1 Ų60.144%0.44329%0.292SS..Hα-helixtrans-59.9-40.7174.5-72.8-177.4-175.6-159.30111.8N349 Q350 F351 E416 D418N349-K353 WeakPolarHBondContact O-CG 3.4Å; N349-K353 PolarHBondContact O-N 3.25Å; Q350-K353 WeakPolarHBondContact O-CB 3.49Å; Q350-K353 PolarHBondContact O-N 2.92Å; F351-K353 PolarHBondContact O-N 3.21Å; K353-E416 HydrophobicContact CG-CG 4.08Å; K353-E416 WeakPolarHBondContact CG-OE1 2.84Å; K353-D418 VanDerWaalsContact CE-OD2 3.27Å; K353-D418 WeakPolarHBondContact CE-OD2 3.46Å; K353-D418 IonicContact NZ-OD2 2.74Å; K353-D418 PolarHBondContact NZ-OD2 3.19Å
354T90.1Very high91.2Very high92 Ų9260.4 Ų60.456%0.56430%0.297SS*.Hα-helixtrans-69.7-35.2178.5-560000112.3Q350 F351 L352 P358Q350-T354 PolarHBondContact O-N 3.04Å; Q350-T354 PolarHBondContact O-OG1 3.32Å; F351-T354 CarbonylContact O-C 3.59Å; F351-T354 WeakPolarHBondContact O-CB 3.49Å; F351-T354 PolarHBondContact O-N 3.48Å; F351-T354 VanDerWaalsContact O-N 3.12Å; L352-T354 VanDerWaalsContact C-N 3.28Å; L352-T354 PolarHBondContact O-N 3.37Å; T354-P358 WeakPolarHBondContact O-CD 3.34Å; T354-P358 WeakPolarHBondContact O-CG 3.48Å
355V90.1Very high91.3Very high26 Ų2662.4 Ų62.416%0.15830%0.304CS..Hα-helixtrans-93.8-31.9-171.4170.20000113.5F233 F351 L352 I357 P358 C359F233-V355 HydrophobicContact CE1-CG1 4.08Å; F233-V355 HydrophobicContact CZ-CG1 3.54Å; F351-V355 HydrophobicContact CD2-CG2 3.78Å; F351-V355 HydrophobicContact CE1-CG2 4.27Å; F351-V355 HydrophobicContact CE2-CG2 3.44Å; F351-V355 VanDerWaalsContact CE2-CG2 3.44Å; F351-V355 HydrophobicContact CG-CG2 4.35Å; F351-V355 HydrophobicContact CZ-CB 4.38Å; F351-V355 HydrophobicContact CZ-CG1 4.48Å; F351-V355 HydrophobicContact CZ-CG2 3.71Å; F351-V355 WeakPolarHBondContact O-CB 3.37Å; F351-V355 WeakPolarHBondContact O-CG2 3.42Å; F351-V355 PolarHBondContact O-N 3.47Å; L352-V355 PolarHBondContact O-N 3.04Å; V355-I357 PolarHBondContact O-N 3.38Å; V355-P358 VanDerWaalsContact O-CD 3.29Å; V355-P358 WeakPolarHBondContact O-CD 3.21Å; V355-C359 VanDerWaalsContact CG1-SG 3.55Å; V355-C359 PolarHBondContact O-N 3Å; V355-C359 PolarHBondContact O-SG 2.85Å
356T88Confident91.4Very high0 Ų060.2 Ų60.20%030%0.298CS..Hα-helixtrans-60.1-44.8-173.7-58.80000112.7L352 C359 I360 F412 E416L352-T356 VanDerWaalsContact O-CB 3.29Å; L352-T356 WeakPolarHBondContact O-CB 3.1Å; L352-T356 PolarHBondContact O-N 3.35Å; L352-T356 PolarHBondContact O-OG1 3.49Å; T356-C359 WeakPolarHBondContact O-CB 3.36Å; T356-C359 PolarHBondContact O-N 3.29Å; T356-I360 WeakPolarHBondContact O-CG1 3.33Å; T356-I360 PolarHBondContact O-N 3.12Å; T356-F412 HydrophobicContact CG2-CE1 4.32Å; T356-E416 HydrophobicContact CG2-CB 4.36Å
357I87.8Confident91.5Very high61 Ų6154.1 Ų54.131%0.31327%0.27SS..Hα-helixtrans-67-48.6178.7-65.5170.3000111.2V355 C359 I360 W361V355-I357 PolarHBondContact O-N 3.38Å; I357-C359 VanDerWaalsContact C-N 3.28Å; I357-C359 PolarHBondContact O-N 3.21Å; I357-I360 WeakPolarHBondContact O-CB 3.49Å; I357-I360 PolarHBondContact O-N 3.35Å; I357-I360 VanDerWaalsContact O-N 3.1Å; I357-W361 PolarHBondContact O-N 3.05Å; I357-W361 VanDerWaalsContact O-N 3.09Å
358P91.3Very high91.5Very high61 Ų6152.8 Ų52.840%0.39627%0.269SS..Hα-helixtrans-54-37.6170.1-31.236.7000114.6T354 V355 I360 W361 I362T354-P358 WeakPolarHBondContact O-CD 3.34Å; T354-P358 WeakPolarHBondContact O-CG 3.48Å; V355-P358 VanDerWaalsContact O-CD 3.29Å; V355-P358 WeakPolarHBondContact O-CD 3.21Å; P358-I360 VanDerWaalsContact C-N 3.29Å; P358-I360 PolarHBondContact O-N 3.09Å; P358-W361 CarbonylContact O-C 3.29Å; P358-W361 PolarHBondContact O-N 3.16Å; P358-W361 VanDerWaalsContact O-N 3.16Å; P358-I362 VanDerWaalsContact O-CG1 3.31Å; P358-I362 WeakPolarHBondContact O-CG1 3.38Å; P358-I362 PolarHBondContact O-N 2.92Å
359C91.4Very high91.5Very high2 Ų260.8 Ų60.81%0.01430%0.299CS..Hα-helixtrans-57.8-43.8174.7-67.20000111.9F168 F233 V355 T356 I357 W361 I362 G363 F412F168-C359 HydrophobicContact CE1-CB 4.35Å; F168-C359 HydrophobicContact CZ-CB 4.18Å; F233-C359 WeakPolarHBondContact CE1-SG 3.41Å; F233-C359 WeakPolarHBondContact CZ-SG 3.4Å; V355-C359 VanDerWaalsContact CG1-SG 3.55Å; V355-C359 PolarHBondContact O-N 3Å; V355-C359 PolarHBondContact O-SG 2.85Å; T356-C359 WeakPolarHBondContact O-CB 3.36Å; T356-C359 PolarHBondContact O-N 3.29Å; I357-C359 VanDerWaalsContact C-N 3.28Å; I357-C359 PolarHBondContact O-N 3.21Å; C359-W361 VanDerWaalsContact C-N 3.33Å; C359-I362 PolarHBondContact O-N 3.15Å; C359-G363 PolarHBondContact O-N 3.14Å; C359-F412 HydrophobicContact CB-CE1 4.25Å; C359-F412 HydrophobicContact CB-CZ 4.04Å
360I91.1Very high91.6Very high24 Ų2459.3 Ų59.312%0.12329%0.291CS..Hα-helixtrans-62.5-44.4177.2-61.8173.2000109.6T356 I357 P358 G363 V364 L409 F412T356-I360 WeakPolarHBondContact O-CG1 3.33Å; T356-I360 PolarHBondContact O-N 3.12Å; I357-I360 WeakPolarHBondContact O-CB 3.49Å; I357-I360 PolarHBondContact O-N 3.35Å; I357-I360 VanDerWaalsContact O-N 3.1Å; P358-I360 VanDerWaalsContact C-N 3.29Å; P358-I360 PolarHBondContact O-N 3.09Å; I360-G363 CarbonylContact O-C 3.42Å; I360-G363 WeakPolarHBondContact O-CA 3.39Å; I360-G363 PolarHBondContact O-N 3.29Å; I360-G363 VanDerWaalsContact O-N 3.16Å; I360-V364 HydrophobicContact CG2-CG2 4.43Å; I360-V364 WeakPolarHBondContact O-CG2 3.48Å; I360-V364 PolarHBondContact O-N 3.18Å; I360-L409 HydrophobicContact CG1-CD2 4.17Å; I360-L409 HydrophobicContact CG2-CD1 4Å; I360-L409 HydrophobicContact CG2-CD2 3.94Å; I360-F412 HydrophobicContact CG1-CD1 4.16Å; I360-F412 HydrophobicContact CG1-CE1 3.93Å
361W92.3Very high91.6Very high154 Ų15455.4 Ų55.458%0.58327%0.273SS*.Hα-helixtrans-66.7-37177.7-79.2109.7000113.7I357 P358 C359 G363 V364 L365I357-W361 PolarHBondContact O-N 3.05Å; I357-W361 VanDerWaalsContact O-N 3.09Å; P358-W361 CarbonylContact O-C 3.29Å; P358-W361 PolarHBondContact O-N 3.16Å; P358-W361 VanDerWaalsContact O-N 3.16Å; C359-W361 VanDerWaalsContact C-N 3.33Å; W361-G363 VanDerWaalsContact C-N 3.27Å; W361-G363 PolarHBondContact O-N 3.39Å; W361-V364 HydrophobicContact CE3-CB 4.22Å; W361-V364 HydrophobicContact CE3-CG1 4.16Å; W361-V364 HydrophobicContact CZ3-CG1 4.16Å; W361-V364 PolarHBondContact O-N 3.35Å; W361-L365 WeakPolarHBondContact O-CB 3.22Å; W361-L365 VanDerWaalsContact O-CG 3.25Å; W361-L365 WeakPolarHBondContact O-CG 3.33Å; W361-L365 PolarHBondContact O-N 2.93Å
362I93.2Very high91.7Very high66 Ų6654.7 Ų54.734%0.33828%0.276SS..Hα-helixtrans-60-43.4170.8-69.7166000109.5F233 F236 P358 C359 S366F233-I362 HydrophobicContact CD1-CD1 4.31Å; F236-I362 HydrophobicContact CB-CG2 4.1Å; F236-I362 HydrophobicContact CD2-CG2 4.12Å; F236-I362 HydrophobicContact CG-CG2 4.2Å; P358-I362 VanDerWaalsContact O-CG1 3.31Å; P358-I362 WeakPolarHBondContact O-CG1 3.38Å; P358-I362 PolarHBondContact O-N 2.92Å; C359-I362 PolarHBondContact O-N 3.15Å; I362-S366 WeakPolarHBondContact O-CB 3.4Å; I362-S366 PolarHBondContact O-N 3.07Å
363G92.8Very high91.6Very high0 Ų055.9 Ų55.90%029%0.286CS..Hα-helixtrans-58.5-50173.400000112.4W161 C359 I360 W361 S366 L367W161-G363 WeakPolarHBondContact CZ2-O 3.44Å; C359-G363 PolarHBondContact O-N 3.14Å; I360-G363 CarbonylContact O-C 3.42Å; I360-G363 WeakPolarHBondContact O-CA 3.39Å; I360-G363 PolarHBondContact O-N 3.29Å; I360-G363 VanDerWaalsContact O-N 3.16Å; W361-G363 VanDerWaalsContact C-N 3.27Å; W361-G363 PolarHBondContact O-N 3.39Å; G363-S366 PolarHBondContact O-N 3.4Å; G363-L367 WeakPolarHBondContact O-CB 3.12Å; G363-L367 PolarHBondContact O-N 2.89Å
364V93.8Very high91.5Very high44 Ų4451.1 Ų51.127%0.26727%0.266SS..Hα-helixtrans-58.9-53.8177.7171.50000111I360 W361 S366 L367 T368 F405I360-V364 HydrophobicContact CG2-CG2 4.43Å; I360-V364 WeakPolarHBondContact O-CG2 3.48Å; I360-V364 PolarHBondContact O-N 3.18Å; W361-V364 HydrophobicContact CE3-CB 4.22Å; W361-V364 HydrophobicContact CE3-CG1 4.16Å; W361-V364 HydrophobicContact CZ3-CG1 4.16Å; W361-V364 PolarHBondContact O-N 3.35Å; V364-S366 VanDerWaalsContact C-N 3.33Å; V364-S366 PolarHBondContact O-N 2.83Å; V364-L367 PolarHBondContact O-N 2.93Å; V364-T368 WeakPolarHBondContact O-CB 3.42Å; V364-T368 PolarHBondContact O-N 2.84Å; V364-T368 PolarHBondContact O-OG1 2.98Å; V364-F405 HydrophobicContact CG2-CE1 3.7Å; V364-F405 HydrophobicContact CG2-CZ 4.06Å
365L94.3Very high91.5Very high117 Ų11750.2 Ų50.261%0.61326%0.256SS*.Hα-helixtrans-61.3-42.4-178.5-69.8171.9000111.5W361 W369W361-L365 WeakPolarHBondContact O-CB 3.22Å; W361-L365 VanDerWaalsContact O-CG 3.25Å; W361-L365 WeakPolarHBondContact O-CG 3.33Å; W361-L365 PolarHBondContact O-N 2.93Å; L365-W369 WeakPolarHBondContact O-CB 3.44Å; L365-W369 PolarHBondContact O-N 3.35Å
366S93.9Very high91.4Very high19 Ų1955.8 Ų55.813%0.13328%0.278CS..Hα-helixtrans-66.3-41.7178-177.20000112W161 I362 G363 V364 W369 E370W161-S366 PolarHBondContact NE1-OG 3.29Å; I362-S366 WeakPolarHBondContact O-CB 3.4Å; I362-S366 PolarHBondContact O-N 3.07Å; G363-S366 PolarHBondContact O-N 3.4Å; V364-S366 VanDerWaalsContact C-N 3.33Å; V364-S366 PolarHBondContact O-N 2.83Å; S366-W369 PolarHBondContact O-N 3.24Å; S366-E370 PolarHBondContact O-N 3.03Å
367L94.3Very high91.2Very high9 Ų960.7 Ų60.75%0.04730%0.297CS..Hα-helixtrans-66.8-45.9176.317857.8000111.2V158 W161 G363 V364 W369 E370 L371 F405V158-L367 HydrophobicContact CG1-CD1 4.35Å; W161-L367 HydrophobicContact CD2-CB 4.25Å; W161-L367 HydrophobicContact CD2-CD1 4.04Å; W161-L367 HydrophobicContact CE3-CB 4.2Å; W161-L367 HydrophobicContact CE3-CD1 3.64Å; W161-L367 HydrophobicContact CE3-CD2 4.48Å; W161-L367 HydrophobicContact CE3-CG 4.3Å; W161-L367 HydrophobicContact CH2-CB 3.69Å; W161-L367 HydrophobicContact CH2-CD2 4.25Å; W161-L367 HydrophobicContact CH2-CG 4.38Å; W161-L367 HydrophobicContact CZ2-CB 3.75Å; W161-L367 HydrophobicContact CZ3-CB 3.91Å; W161-L367 HydrophobicContact CZ3-CD1 3.92Å; W161-L367 HydrophobicContact CZ3-CD2 3.91Å; W161-L367 HydrophobicContact CZ3-CG 4.12Å; G363-L367 WeakPolarHBondContact O-CB 3.12Å; G363-L367 PolarHBondContact O-N 2.89Å; V364-L367 PolarHBondContact O-N 2.93Å; L367-W369 VanDerWaalsContact C-N 3.26Å; L367-W369 PolarHBondContact O-N 3.37Å; L367-E370 PolarHBondContact O-N 3.25Å; L367-E370 VanDerWaalsContact O-N 3.16Å; L367-L371 HydrophobicContact CD1-CD1 4.33Å; L367-L371 HydrophobicContact CD1-CG 4.13Å; L367-L371 HydrophobicContact CG-CD1 4.01Å; L367-L371 HydrophobicContact CG-CG 4.28Å; L367-L371 WeakPolarHBondContact O-CB 3.32Å; L367-L371 VanDerWaalsContact O-CG 3.29Å; L367-L371 WeakPolarHBondContact O-CG 3.35Å; L367-L371 PolarHBondContact O-N 3.42Å; L367-F405 HydrophobicContact CD2-CB 3.92Å; L367-F405 HydrophobicContact CD2-CD1 4.07Å; L367-F405 HydrophobicContact CD2-CG 3.98Å
368T93.6Very high91Very high72 Ų7257.9 Ų57.944%0.44228%0.283SS..Hα-helixtrans-58.6-40.2177.4-61.70000111.3V364 L371 V372V364-T368 WeakPolarHBondContact O-CB 3.42Å; V364-T368 PolarHBondContact O-N 2.84Å; V364-T368 PolarHBondContact O-OG1 2.98Å; T368-L371 PolarHBondContact O-N 3.33Å; T368-V372 HydrophobicContact CG2-CG2 4.29Å; T368-V372 WeakPolarHBondContact O-CB 3.21Å; T368-V372 VanDerWaalsContact O-CG2 3.29Å; T368-V372 WeakPolarHBondContact O-CG2 3.15Å; T368-V372 PolarHBondContact O-N 3.43Å
369W92.9Very high90.6Very high179 Ų17956.6 Ų56.668%0.67828%0.277SS*.Hα-helixtrans-59.8-49174.6179.2-95.8000112.3L365 S366 L367 L371 V372 A373L365-W369 WeakPolarHBondContact O-CB 3.44Å; L365-W369 PolarHBondContact O-N 3.35Å; S366-W369 PolarHBondContact O-N 3.24Å; L367-W369 VanDerWaalsContact C-N 3.26Å; L367-W369 PolarHBondContact O-N 3.37Å; W369-L371 VanDerWaalsContact C-N 3.33Å; W369-L371 PolarHBondContact O-N 3.2Å; W369-V372 PolarHBondContact O-N 3.24Å; W369-A373 VanDerWaalsContact O-CB 3.24Å; W369-A373 WeakPolarHBondContact O-CB 3.4Å; W369-A373 PolarHBondContact O-N 3.2Å
370E91.6Very high90.3Very high13 Ų1360.5 Ų60.56%0.06130%0.304CS..Hα-helixtrans-63.8-39177.7-64.7-61.6162.400111.8M1 W161 S366 L367 A373 S374M1-E370 WeakPolarHBondContact CE-OE1 3.31Å; W161-E370 HydrophobicContact CB-CG 4.48Å; W161-E370 HydrophobicContact CG-CG 4.4Å; S366-E370 PolarHBondContact O-N 3.03Å; L367-E370 PolarHBondContact O-N 3.25Å; L367-E370 VanDerWaalsContact O-N 3.16Å; E370-A373 PolarHBondContact O-N 3.25Å; E370-S374 WeakPolarHBondContact O-CB 3.34Å; E370-S374 PolarHBondContact O-N 3.12Å; E370-S374 PolarHBondContact O-OG 3Å
371L92.3Very high89.9Confident30 Ų3062 Ų6216%0.15731%0.311CS..Hα-helixtrans-60.7-48.6176.2-73.1175.8000112.1V158 L367 T368 W369 M375 W394 A398V158-L371 HydrophobicContact CB-CD2 4.4Å; V158-L371 HydrophobicContact CG1-CD2 3.51Å; V158-L371 HydrophobicContact CG1-CG 4.43Å; V158-L371 HydrophobicContact CG2-CD2 3.93Å; L367-L371 HydrophobicContact CD1-CD1 4.33Å; L367-L371 HydrophobicContact CD1-CG 4.13Å; L367-L371 HydrophobicContact CG-CD1 4.01Å; L367-L371 HydrophobicContact CG-CG 4.28Å; L367-L371 WeakPolarHBondContact O-CB 3.32Å; L367-L371 VanDerWaalsContact O-CG 3.29Å; L367-L371 WeakPolarHBondContact O-CG 3.35Å; L367-L371 PolarHBondContact O-N 3.42Å; T368-L371 PolarHBondContact O-N 3.33Å; W369-L371 VanDerWaalsContact C-N 3.33Å; W369-L371 PolarHBondContact O-N 3.2Å; L371-M375 VanDerWaalsContact O-CB 3.31Å; L371-M375 WeakPolarHBondContact O-CB 3.26Å; L371-M375 PolarHBondContact O-N 3.06Å; L371-W394 PolarHBondContact O-NE1 3.49Å; L371-W394 VanDerWaalsContact O-NE1 3.08Å; L371-A398 HydrophobicContact CD2-CB 3.45Å; L371-A398 VanDerWaalsContact CD2-CB 3.45Å
372V92.1Very high89.2Confident76 Ų7659.5 Ų59.546%0.46132%0.317SS..Hα-helixtrans-68.3-41.7179.9172.90000110.9T368 W369 M375 F376T368-V372 HydrophobicContact CG2-CG2 4.29Å; T368-V372 WeakPolarHBondContact O-CB 3.21Å; T368-V372 VanDerWaalsContact O-CG2 3.29Å; T368-V372 WeakPolarHBondContact O-CG2 3.15Å; T368-V372 PolarHBondContact O-N 3.43Å; W369-V372 PolarHBondContact O-N 3.24Å; V372-M375 WeakPolarHBondContact O-CB 3.41Å; V372-M375 PolarHBondContact O-N 3.25Å; V372-F376 WeakPolarHBondContact O-CB 3.26Å; V372-F376 PolarHBondContact O-N 3.45Å
373A88.8Confident88.8Confident27 Ų2758.7 Ų58.722%0.22333%0.325CS..Hα-helixtrans-62.5-45.7177.400000111.7W369 E370 F376 R377W369-A373 VanDerWaalsContact O-CB 3.24Å; W369-A373 WeakPolarHBondContact O-CB 3.4Å; W369-A373 PolarHBondContact O-N 3.2Å; E370-A373 PolarHBondContact O-N 3.25Å; A373-F376 PolarHBondContact O-N 2.95Å; A373-R377 WeakPolarHBondContact O-CG 3.32Å; A373-R377 PolarHBondContact O-N 3.31Å; A373-R377 VanDerWaalsContact O-N 3.09Å
374S86.8Confident88.5Confident1 Ų166.4 Ų66.41%0.00736%0.359CS..Hα-helixtrans-65.8-37.9174.8-79.10000112.6E154 E370 F376 R377 C378E154-S374 VanDerWaalsContact O-CB 3.28Å; E154-S374 WeakPolarHBondContact O-CB 3.41Å; E154-S374 PolarHBondContact O-OG 2.85Å; E370-S374 WeakPolarHBondContact O-CB 3.34Å; E370-S374 PolarHBondContact O-N 3.12Å; E370-S374 PolarHBondContact O-OG 3Å; S374-F376 VanDerWaalsContact C-N 3.32Å; S374-F376 PolarHBondContact O-N 3.05Å; S374-R377 PolarHBondContact O-N 3.02Å; S374-C378 PolarHBondContact O-N 3.49Å; S374-C378 PolarHBondContact O-SG 3.15Å; S374-C378 VanDerWaalsContact O-SG 3.33Å
375M89.1Confident88Confident74 Ų7470.9 Ų70.937%0.36538%0.381SS..Hα-helixtrans-60.1-44.6174.8-171.7-171.469.300111.3L371 V372 C378 A379 M391 W394L371-M375 VanDerWaalsContact O-CB 3.31Å; L371-M375 WeakPolarHBondContact O-CB 3.26Å; L371-M375 PolarHBondContact O-N 3.06Å; V372-M375 WeakPolarHBondContact O-CB 3.41Å; V372-M375 PolarHBondContact O-N 3.25Å; M375-C378 PolarHBondContact O-N 3.21Å; M375-A379 WeakPolarHBondContact O-CB 3.07Å; M375-A379 PolarHBondContact O-N 3.44Å; M375-M391 HydrophobicContact CG-CE 4.11Å; M375-M391 HydrophobicContact CG-SD 4.45Å; M375-W394 HydrophobicContact CB-CD2 4.31Å; M375-W394 HydrophobicContact CB-CH2 4.21Å; M375-W394 HydrophobicContact CB-CZ2 3.58Å; M375-W394 HydrophobicContact CG-CD2 4.39Å; M375-W394 HydrophobicContact CG-CE3 4.45Å; M375-W394 HydrophobicContact CG-CH2 3.86Å; M375-W394 HydrophobicContact CG-CZ2 3.77Å; M375-W394 HydrophobicContact CG-CZ3 4.2Å; M375-W394 HydrophobicContact SD-CH2 3.78Å; M375-W394 HydrophobicContact SD-CZ2 4.04Å; M375-W394 HydrophobicContact SD-CZ3 4.41Å
376F87.7Confident87.3Confident142 Ų14272.4 Ų72.462%0.62338%0.383SS*.Hα-helixtrans-62.5-44.3178.1-173-98.5000111.3V372 A373 S374 C378 A379 C380V372-F376 WeakPolarHBondContact O-CB 3.26Å; V372-F376 PolarHBondContact O-N 3.45Å; A373-F376 PolarHBondContact O-N 2.95Å; S374-F376 VanDerWaalsContact C-N 3.32Å; S374-F376 PolarHBondContact O-N 3.05Å; F376-C378 PolarHBondContact O-N 3.06Å; F376-A379 PolarHBondContact O-N 3.25Å; F376-A379 VanDerWaalsContact O-N 3.12Å; F376-C380 VanDerWaalsContact CE1-SG 3.56Å; F376-C380 PolarHBondContact O-N 3.48Å; F376-C380 VanDerWaalsContact O-N 3.08Å; F376-C380 PolarHBondContact O-SG 3.27Å
377R85Confident86.9Confident104 Ų10477.6 Ų77.639%0.39240%0.399SS..Hα-helixtrans-59.2-46.7175.1-68.1178.6-166.2-152.60.6112.4E154 A373 S374 A379 C380E154-R377 HydrophobicContact CB-CB 4.21Å; E154-R377 HydrophobicContact CG-CB 4.25Å; E154-R377 WeakPolarHBondContact OE2-CB 3.29Å; E154-R377 WeakPolarHBondContact OE2-CD 3.42Å; A373-R377 WeakPolarHBondContact O-CG 3.32Å; A373-R377 PolarHBondContact O-N 3.31Å; A373-R377 VanDerWaalsContact O-N 3.09Å; S374-R377 PolarHBondContact O-N 3.02Å; R377-A379 PolarHBondContact O-N 3.09Å; R377-C380 PolarHBondContact O-N 3.46Å
378C82.9Confident86.5Confident2 Ų282.8 Ų82.81%0.01442%0.421CS..Hα-helixtrans-58.5-37.3174.9-700000112.5E154 S374 M375 F376 C380 M391E154-C378 VanDerWaalsContact CB-SG 3.51Å; S374-C378 PolarHBondContact O-N 3.49Å; S374-C378 PolarHBondContact O-SG 3.15Å; S374-C378 VanDerWaalsContact O-SG 3.33Å; M375-C378 PolarHBondContact O-N 3.21Å; F376-C378 PolarHBondContact O-N 3.06Å; C378-C380 VanDerWaalsContact C-N 3.33Å; C378-M391 HydrophobicContact CB-SD 3.8Å
379A83.8Confident86Confident34 Ų3485 Ų8528%0.28142%0.422SS..Hα-helixtrans-73-25-179.400000113.4M375 F376 R377M375-A379 WeakPolarHBondContact O-CB 3.07Å; M375-A379 PolarHBondContact O-N 3.44Å; F376-A379 PolarHBondContact O-N 3.25Å; F376-A379 VanDerWaalsContact O-N 3.12Å; R377-A379 PolarHBondContact O-N 3.09Å
380C84.5Confident85.4Confident84 Ų8476.9 Ų76.957%0.56839%0.394SS*.THydrogen-bonded Turntrans-86.9-1.2-179.3-69.20000114.5F376 R377 C378F376-C380 VanDerWaalsContact CE1-SG 3.56Å; F376-C380 PolarHBondContact O-N 3.48Å; F376-C380 VanDerWaalsContact O-N 3.08Å; F376-C380 PolarHBondContact O-SG 3.27Å; R377-C380 PolarHBondContact O-N 3.46Å; C378-C380 VanDerWaalsContact C-N 3.33Å
381I82.9Confident85.2Confident54 Ų5478.7 Ų78.728%0.27740%0.403SS..SBendtrans-69.6136.3177.3-59.1174.8000110.3E154 K386E154-I381 HydrophobicContact CG-CD1 3.92Å; I381-K386 HydrophobicContact CG2-CB 3.95Å
382S77.9Confident84.9Confident103 Ų10380.3 Ų80.372%0.7241%0.411SS*.SBendtrans-71.6134.5173.855.30000111.7
383G84.4Confident84.6Confident49 Ų4978.7 Ų78.751%0.50540%0.399SS..SBendtrans97130.2179.300000114.3L385 R387G383-L385 PolarHBondContact O-N 3.26Å; G383-R387 WeakPolarHBondContact O-CB 3.38Å; G383-R387 PolarHBondContact O-N 2.89Å; G383-R387 VanDerWaalsContact O-N 3.08Å
384F85.7Confident84.6Confident162 Ų16279.4 Ų79.471%0.71140%0.396SS*.Hα-helixtrans-61.6-46.6-175.1177.5-99000113.2R387 F388F384-R387 PolarHBondContact O-N 3.19Å; F384-F388 WeakPolarHBondContact O-CB 3.39Å; F384-F388 PolarHBondContact O-N 3.12Å
385L83.9Confident84.8Confident137 Ų13782.9 Ų82.972%0.71742%0.417SS*.Hα-helixtrans-66.1-43.1-177.5-69.2173.8000112.5G383 F388 W389G383-L385 PolarHBondContact O-N 3.26Å; L385-F388 PolarHBondContact O-N 2.74Å; L385-W389 WeakPolarHBondContact O-CB 3.4Å; L385-W389 PolarHBondContact O-N 3.17Å
386K80.3Confident84.8Confident150 Ų15083.6 Ų83.665%0.65243%0.426SS*.Hα-helixtrans-62.8-43.8176.6-70.1-179.5-180173.90110.8I381 G390I381-K386 HydrophobicContact CG2-CB 3.95Å; K386-G390 PolarHBondContact O-N 2.9Å
387R84.9Confident85Confident127 Ų12777.9 Ų77.948%0.47940%0.401SS..Hα-helixtrans-61.8-47.6174.5179.9176.5170.8-174.2-1.1112.2G383 F384 G390 M391G383-R387 WeakPolarHBondContact O-CB 3.38Å; G383-R387 PolarHBondContact O-N 2.89Å; G383-R387 VanDerWaalsContact O-N 3.08Å; F384-R387 PolarHBondContact O-N 3.19Å; R387-G390 PolarHBondContact O-N 3.09Å; R387-M391 HydrophobicContact CG-CG 4.43Å; R387-M391 WeakPolarHBondContact O-CB 3.3Å; R387-M391 VanDerWaalsContact O-CG 3.24Å; R387-M391 WeakPolarHBondContact O-CG 2.98Å; R387-M391 PolarHBondContact O-N 3Å
388F85.3Confident85.3Confident118 Ų11873.5 Ų73.552%0.51839%0.386SS..Hα-helixtrans-60.5-48.7-180179.8-105.8000111.7F384 L385 M391 I392F384-F388 WeakPolarHBondContact O-CB 3.39Å; F384-F388 PolarHBondContact O-N 3.12Å; L385-F388 PolarHBondContact O-N 2.74Å; F388-M391 PolarHBondContact O-N 3.31Å; F388-I392 HydrophobicContact CD1-CD1 3.88Å; F388-I392 HydrophobicContact CE1-CD1 3.34Å; F388-I392 HydrophobicContact CE1-CG1 4.45Å; F388-I392 HydrophobicContact CE2-CD1 4.22Å; F388-I392 HydrophobicContact CZ-CD1 3.55Å; F388-I392 HydrophobicContact CZ-CG1 4.42Å; F388-I392 WeakPolarHBondContact O-CG1 3.34Å; F388-I392 PolarHBondContact O-N 3.4Å
389W82.6Confident85.8Confident118 Ų11876 Ų7645%0.44741%0.407SS..Hα-helixtrans-65.8-41178.1-170.2-106.8000112.4R147 L385 M391 I392 Q393R147-W389 VanDerWaalsContact NH1-CE2 3.25Å; L385-W389 WeakPolarHBondContact O-CB 3.4Å; L385-W389 PolarHBondContact O-N 3.17Å; W389-M391 VanDerWaalsContact C-N 3.32Å; W389-M391 PolarHBondContact O-N 2.92Å; W389-I392 PolarHBondContact O-N 3.14Å; W389-Q393 WeakPolarHBondContact O-CG 3.47Å; W389-Q393 PolarHBondContact O-N 3.33Å
390G81.9Confident86.3Confident10 Ų1075.8 Ų75.810%0.10341%0.405CS..Hα-helixtrans-60.3-40.1174.200000112.7K386 R387 W394K386-G390 PolarHBondContact O-N 2.9Å; R387-G390 PolarHBondContact O-N 3.09Å; G390-W394 VanDerWaalsContact O-CB 3.29Å; G390-W394 WeakPolarHBondContact O-CB 3.33Å; G390-W394 PolarHBondContact O-N 3.27Å
391M85.6Confident86.8Confident51 Ų5171.8 Ų71.825%0.25138%0.378SS..Hα-helixtrans-67.4-40.9175.1-74.3-61.1-60.100112.6M375 C378 R387 F388 W389 W394 T395M375-M391 HydrophobicContact CG-CE 4.11Å; M375-M391 HydrophobicContact CG-SD 4.45Å; C378-M391 HydrophobicContact CB-SD 3.8Å; R387-M391 HydrophobicContact CG-CG 4.43Å; R387-M391 WeakPolarHBondContact O-CB 3.3Å; R387-M391 VanDerWaalsContact O-CG 3.24Å; R387-M391 WeakPolarHBondContact O-CG 2.98Å; R387-M391 PolarHBondContact O-N 3Å; F388-M391 PolarHBondContact O-N 3.31Å; W389-M391 VanDerWaalsContact C-N 3.32Å; W389-M391 PolarHBondContact O-N 2.92Å; M391-W394 HydrophobicContact CE-CE3 3.91Å; M391-W394 HydrophobicContact CE-CZ3 4.04Å; M391-W394 PolarHBondContact O-N 2.91Å; M391-T395 WeakPolarHBondContact O-CB 3.44Å; M391-T395 PolarHBondContact O-N 2.85Å; M391-T395 PolarHBondContact O-OG1 3.25Å
392I87Confident87.4Confident64 Ų6471.2 Ų71.233%0.32838%0.382SS..Hα-helixtrans-60.9-50.5174-72.2173.9000110.3F388 W389 W394 T395 V396F388-I392 HydrophobicContact CD1-CD1 3.88Å; F388-I392 HydrophobicContact CE1-CD1 3.34Å; F388-I392 HydrophobicContact CE1-CG1 4.45Å; F388-I392 HydrophobicContact CE2-CD1 4.22Å; F388-I392 HydrophobicContact CZ-CD1 3.55Å; F388-I392 HydrophobicContact CZ-CG1 4.42Å; F388-I392 WeakPolarHBondContact O-CG1 3.34Å; F388-I392 PolarHBondContact O-N 3.4Å; W389-I392 PolarHBondContact O-N 3.14Å; I392-W394 PolarHBondContact O-N 3.41Å; I392-T395 WeakPolarHBondContact O-CB 3.34Å; I392-T395 PolarHBondContact O-N 3.23Å; I392-T395 VanDerWaalsContact O-N 3.15Å; I392-V396 WeakPolarHBondContact O-CG2 3.24Å; I392-V396 PolarHBondContact O-N 3.01Å
393Q85.4Confident88.2Confident42 Ų4269.8 Ų69.820%0.19637%0.372CS..Hα-helixtrans-58.3-48.8178.3-73.4-173.4-19.700111.1W389 T395 V396 F397W389-Q393 WeakPolarHBondContact O-CG 3.47Å; W389-Q393 PolarHBondContact O-N 3.33Å; Q393-T395 VanDerWaalsContact C-N 3.29Å; Q393-T395 PolarHBondContact O-N 3Å; Q393-V396 PolarHBondContact O-N 3.44Å; Q393-F397 VanDerWaalsContact O-CD2 3.28Å; Q393-F397 WeakPolarHBondContact O-CD2 3.4Å; Q393-F397 PolarHBondContact O-N 3.44Å
394W88.8Confident88.7Confident41 Ų4168.4 Ų68.416%0.15535%0.352CS..Hα-helixtrans-55.3-45175.3168.985.8000111.7L371 M375 G390 M391 I392 V396 F397 A398L371-W394 PolarHBondContact O-NE1 3.49Å; L371-W394 VanDerWaalsContact O-NE1 3.08Å; M375-W394 HydrophobicContact CB-CD2 4.31Å; M375-W394 HydrophobicContact CB-CH2 4.21Å; M375-W394 HydrophobicContact CB-CZ2 3.58Å; M375-W394 HydrophobicContact CG-CD2 4.39Å; M375-W394 HydrophobicContact CG-CE3 4.45Å; M375-W394 HydrophobicContact CG-CH2 3.86Å; M375-W394 HydrophobicContact CG-CZ2 3.77Å; M375-W394 HydrophobicContact CG-CZ3 4.2Å; M375-W394 HydrophobicContact SD-CH2 3.78Å; M375-W394 HydrophobicContact SD-CZ2 4.04Å; M375-W394 HydrophobicContact SD-CZ3 4.41Å; G390-W394 VanDerWaalsContact O-CB 3.29Å; G390-W394 WeakPolarHBondContact O-CB 3.33Å; G390-W394 PolarHBondContact O-N 3.27Å; M391-W394 HydrophobicContact CE-CE3 3.91Å; M391-W394 HydrophobicContact CE-CZ3 4.04Å; M391-W394 PolarHBondContact O-N 2.91Å; I392-W394 PolarHBondContact O-N 3.41Å; W394-V396 PolarHBondContact O-N 3.03Å; W394-F397 PolarHBondContact O-N 3.47Å; W394-A398 HydrophobicContact CD2-CB 4.49Å; W394-A398 HydrophobicContact CZ2-CB 4.41Å; W394-A398 WeakPolarHBondContact O-CA 3.47Å; W394-A398 WeakPolarHBondContact O-CB 3.38Å; W394-A398 PolarHBondContact O-N 2.99Å
395T90.3Very high89.2Confident75 Ų7561.3 Ų61.346%0.4632%0.321SS..Hα-helixtrans-60.3-45.8-179.6-54.80000111.4M391 I392 Q393 A399M391-T395 WeakPolarHBondContact O-CB 3.44Å; M391-T395 PolarHBondContact O-N 2.85Å; M391-T395 PolarHBondContact O-OG1 3.25Å; I392-T395 WeakPolarHBondContact O-CB 3.34Å; I392-T395 PolarHBondContact O-N 3.23Å; I392-T395 VanDerWaalsContact O-N 3.15Å; Q393-T395 VanDerWaalsContact C-N 3.29Å; Q393-T395 PolarHBondContact O-N 3Å; T395-A399 VanDerWaalsContact O-CB 3.32Å; T395-A399 WeakPolarHBondContact O-CB 3.38Å; T395-A399 PolarHBondContact O-N 3.47Å
396V90.6Very high89.7Confident89 Ų8956.2 Ų56.254%0.53930%0.299SS..Hα-helixtrans-63.6-49.3179.5173.70000111.2I392 Q393 W394 A399 A400I392-V396 WeakPolarHBondContact O-CG2 3.24Å; I392-V396 PolarHBondContact O-N 3.01Å; Q393-V396 PolarHBondContact O-N 3.44Å; W394-V396 PolarHBondContact O-N 3.03Å; V396-A399 PolarHBondContact O-N 3.32Å; V396-A400 WeakPolarHBondContact O-CB 3.28Å; V396-A400 PolarHBondContact O-N 3.14Å
397F90.6Very high90.4Very high22 Ų2249.9 Ų49.910%0.09627%0.272CS..Hα-helixtrans-70.6-33.8-179.5-78.4-76.3000112.8L139 L143 H155 T159 Q393 W394 A400 A401L139-F397 HydrophobicContact CD2-CE1 4.47Å; L139-F397 WeakPolarHBondContact O-CE1 3.38Å; L143-F397 HydrophobicContact CD1-CE2 4.41Å; L143-F397 HydrophobicContact CD1-CZ 3.76Å; H155-F397 HydrophobicContact CB-CB 4.41Å; H155-F397 AromaticContact CD2-CD2 3.42Å; H155-F397 VanDerWaalsContact CD2-CD2 3.42Å; H155-F397 WeakPolarHBondContact CD2-CD2 3.46Å; H155-F397 AromaticContact CD2-CE2 3.88Å; H155-F397 AromaticContact CD2-CG 3.66Å; H155-F397 AromaticContact CE1-CD2 3.77Å; H155-F397 AromaticContact CE1-CE2 3.86Å; H155-F397 AromaticContact CG-CD2 3.98Å; H155-F397 AromaticContact NE2-CD2 3.3Å; H155-F397 VanDerWaalsContact NE2-CD2 3.3Å; H155-F397 WeakPolarHBondContact NE2-CD2 3.38Å; H155-F397 AromaticContact NE2-CE2 3.29Å; H155-F397 VanDerWaalsContact NE2-CE2 3.29Å; H155-F397 WeakPolarHBondContact NE2-CE2 3.34Å; H155-F397 AromaticContact NE2-CG 3.98Å; H155-F397 AromaticContact NE2-CZ 3.94Å; T159-F397 HydrophobicContact CG2-CB 4.24Å; T159-F397 HydrophobicContact CG2-CD1 3.65Å; T159-F397 HydrophobicContact CG2-CE1 4.4Å; T159-F397 HydrophobicContact CG2-CG 4.24Å; Q393-F397 VanDerWaalsContact O-CD2 3.28Å; Q393-F397 WeakPolarHBondContact O-CD2 3.4Å; Q393-F397 PolarHBondContact O-N 3.44Å; W394-F397 PolarHBondContact O-N 3.47Å; F397-A400 PolarHBondContact O-N 3.5Å; F397-A401 VanDerWaalsContact O-CB 3.25Å; F397-A401 WeakPolarHBondContact O-CB 3.3Å; F397-A401 PolarHBondContact O-N 2.84Å
398A91.9Very high90.9Very high11 Ų1143.9 Ų43.99%0.09125%0.25CC..Hα-helixtrans-62.9-46.4172.600000111.3L371 W394 A401 A402L371-A398 HydrophobicContact CD2-CB 3.45Å; L371-A398 VanDerWaalsContact CD2-CB 3.45Å; W394-A398 HydrophobicContact CD2-CB 4.49Å; W394-A398 HydrophobicContact CZ2-CB 4.41Å; W394-A398 WeakPolarHBondContact O-CA 3.47Å; W394-A398 WeakPolarHBondContact O-CB 3.38Å; W394-A398 PolarHBondContact O-N 2.99Å; A398-A401 PolarHBondContact O-N 3.46Å; A398-A402 WeakPolarHBondContact O-CB 3.13Å; A398-A402 PolarHBondContact O-N 3.44Å
399A94.3Very high91.2Very high55 Ų5539.1 Ų39.146%0.45523%0.23SC..Hα-helixtrans-62-47.617600000111.1T395 V396 A401 A402 S403T395-A399 VanDerWaalsContact O-CB 3.32Å; T395-A399 WeakPolarHBondContact O-CB 3.38Å; T395-A399 PolarHBondContact O-N 3.47Å; V396-A399 PolarHBondContact O-N 3.32Å; A399-A401 VanDerWaalsContact C-N 3.35Å; A399-A401 PolarHBondContact O-N 3.11Å; A399-A402 PolarHBondContact O-N 2.82Å; A399-S403 WeakPolarHBondContact O-CB 3.3Å; A399-S403 PolarHBondContact O-N 2.87Å; A399-S403 PolarHBondContact O-OG 2.91Å; A399-S403 VanDerWaalsContact O-OG 3.1Å
400A93.7Very high91.7Very high29 Ų2933.6 Ų33.624%0.2421%0.209CC..Hα-helixtrans-58.9-44.3176.700000112.2L139 V396 F397 S403 M404L139-A400 HydrophobicContact CD2-CB 4.26Å; V396-A400 WeakPolarHBondContact O-CB 3.28Å; V396-A400 PolarHBondContact O-N 3.14Å; F397-A400 PolarHBondContact O-N 3.5Å; A400-S403 PolarHBondContact O-N 2.71Å; A400-M404 WeakPolarHBondContact O-CB 3.44Å; A400-M404 WeakPolarHBondContact O-CG 3.48Å; A400-M404 PolarHBondContact O-N 3.48Å
401A94.5Very high92.1Very high0 Ų033.3 Ų33.30%021%0.206CC..Hα-helixtrans-65.7-43.1177.800000112.5V158 L162 F397 A398 A399 M404 F405V158-A401 HydrophobicContact CG1-CB 3.63Å; L162-A401 HydrophobicContact CD1-CB 3.88Å; L162-A401 HydrophobicContact CD2-CB 4.09Å; L162-A401 HydrophobicContact CG-CB 4.14Å; F397-A401 VanDerWaalsContact O-CB 3.25Å; F397-A401 WeakPolarHBondContact O-CB 3.3Å; F397-A401 PolarHBondContact O-N 2.84Å; A398-A401 PolarHBondContact O-N 3.46Å; A399-A401 VanDerWaalsContact C-N 3.35Å; A399-A401 PolarHBondContact O-N 3.11Å; A401-M404 PolarHBondContact O-N 2.93Å; A401-F405 WeakPolarHBondContact O-CB 3.45Å; A401-F405 PolarHBondContact O-N 2.97Å
402A95.3Very high92.3Very high42 Ų4231.2 Ų31.235%0.34720%0.195SC..Hα-helixtrans-62.7-42.5175.700000111.8A398 A399 F405 A406A398-A402 WeakPolarHBondContact O-CB 3.13Å; A398-A402 PolarHBondContact O-N 3.44Å; A399-A402 PolarHBondContact O-N 2.82Å; A402-F405 PolarHBondContact O-N 3.37Å; A402-A406 VanDerWaalsContact O-CB 3.31Å; A402-A406 WeakPolarHBondContact O-CB 3.45Å; A402-A406 PolarHBondContact O-N 3.43Å
403S94.7Very high92.4Very high73 Ų7328.1 Ų28.151%0.5118%0.179SC..Hα-helixtrans-64-46.3175.6-64.50000112.2A399 A400 F405 A406 V407A399-S403 WeakPolarHBondContact O-CB 3.3Å; A399-S403 PolarHBondContact O-N 2.87Å; A399-S403 PolarHBondContact O-OG 2.91Å; A399-S403 VanDerWaalsContact O-OG 3.1Å; A400-S403 PolarHBondContact O-N 2.71Å; S403-F405 PolarHBondContact O-N 3.32Å; S403-A406 PolarHBondContact O-N 3.17Å; S403-V407 WeakPolarHBondContact O-CG2 3.36Å; S403-V407 PolarHBondContact O-N 3.33Å
404M95.4Very high92.4Very high21 Ų2131.6 Ų31.610%0.10319%0.191CC..Hα-helixtrans-61.1-44.8176.7-78.9-60-6700111.8F135 L136 L139 L162 A400 A401 S408 L439 V440F135-M404 HydrophobicContact CD1-CE 3.77Å; F135-M404 HydrophobicContact CD1-SD 3.97Å; F135-M404 HydrophobicContact CE1-CE 3.99Å; F135-M404 HydrophobicContact CE1-CG 4.28Å; F135-M404 HydrophobicContact CE1-SD 3.54Å; F135-M404 VanDerWaalsContact CE1-SD 3.54Å; L136-M404 HydrophobicContact CD2-CE 3.78Å; L139-M404 HydrophobicContact CD1-CG 4.17Å; L162-M404 HydrophobicContact CD1-CB 4.34Å; L162-M404 HydrophobicContact CD2-CB 4.22Å; A400-M404 WeakPolarHBondContact O-CB 3.44Å; A400-M404 WeakPolarHBondContact O-CG 3.48Å; A400-M404 PolarHBondContact O-N 3.48Å; A401-M404 PolarHBondContact O-N 2.93Å; M404-S408 VanDerWaalsContact O-CB 3.27Å; M404-S408 WeakPolarHBondContact O-CB 3.43Å; M404-S408 PolarHBondContact O-N 3.14Å; M404-S408 PolarHBondContact O-OG 2.81Å; M404-L439 HydrophobicContact CE-CB 4.39Å; M404-L439 HydrophobicContact SD-CB 4.48Å; M404-V440 HydrophobicContact CE-CG2 3.97Å
405F95.9Very high92Very high13 Ų1330.8 Ų30.86%0.05719%0.191CC..Hα-helixtrans-59.9-49.7174.5176.1-106.5000111.1W161 W165 V364 L367 A401 A402 S403 V407 S408 L409W161-F405 AromaticContact CH2-CD2 3.45Å; W161-F405 HydrophobicContact CH2-CD2 3.45Å; W161-F405 VanDerWaalsContact CH2-CD2 3.45Å; W161-F405 AromaticContact CH2-CE2 3.62Å; W161-F405 HydrophobicContact CH2-CE2 3.62Å; W161-F405 HydrophobicContact CH2-CG 4.19Å; W161-F405 HydrophobicContact CH2-CZ 4.47Å; W161-F405 HydrophobicContact CZ3-CB 4.32Å; W161-F405 AromaticContact CZ3-CD2 3.69Å; W161-F405 HydrophobicContact CZ3-CD2 3.69Å; W161-F405 HydrophobicContact CZ3-CE2 4.33Å; W161-F405 HydrophobicContact CZ3-CG 4.18Å; W165-F405 AromaticContact CD1-CD2 3.88Å; W165-F405 AromaticContact CD2-CD2 3.91Å; W165-F405 HydrophobicContact CD2-CD2 3.91Å; W165-F405 AromaticContact CD2-CE2 3.7Å; W165-F405 HydrophobicContact CD2-CE2 3.7Å; W165-F405 AromaticContact CE2-CD2 3.71Å; W165-F405 AromaticContact CE2-CE2 3.49Å; W165-F405 VanDerWaalsContact CE2-CE2 3.49Å; W165-F405 AromaticContact CE3-CE2 3.94Å; W165-F405 HydrophobicContact CE3-CE2 3.94Å; W165-F405 HydrophobicContact CG-CD2 4.06Å; W165-F405 HydrophobicContact CG-CE2 4.33Å; W165-F405 AromaticContact CH2-CE2 3.89Å; W165-F405 HydrophobicContact CH2-CE2 3.89Å; W165-F405 HydrophobicContact CZ2-CD2 4.23Å; W165-F405 AromaticContact CZ2-CE2 3.61Å; W165-F405 HydrophobicContact CZ2-CE2 3.61Å; W165-F405 HydrophobicContact CZ2-CZ 4.49Å; W165-F405 HydrophobicContact CZ3-CE2 4.03Å; W165-F405 AromaticContact NE1-CD2 3.63Å; W165-F405 AromaticContact NE1-CE2 3.92Å; V364-F405 HydrophobicContact CG2-CE1 3.7Å; V364-F405 HydrophobicContact CG2-CZ 4.06Å; L367-F405 HydrophobicContact CD2-CB 3.92Å; L367-F405 HydrophobicContact CD2-CD1 4.07Å; L367-F405 HydrophobicContact CD2-CG 3.98Å; A401-F405 WeakPolarHBondContact O-CB 3.45Å; A401-F405 PolarHBondContact O-N 2.97Å; A402-F405 PolarHBondContact O-N 3.37Å; S403-F405 PolarHBondContact O-N 3.32Å; F405-V407 PolarHBondContact O-N 2.84Å; F405-S408 PolarHBondContact O-N 3.45Å; F405-S408 VanDerWaalsContact O-N 3.12Å; F405-S408 PolarHBondContact O-OG 3.3Å; F405-L409 HydrophobicContact CE1-CD1 4.23Å; F405-L409 HydrophobicContact CE1-CD2 4.23Å; F405-L409 HydrophobicContact CE1-CG 4.48Å; F405-L409 HydrophobicContact CE2-CD2 4.05Å; F405-L409 HydrophobicContact CZ-CD2 3.82Å; F405-L409 WeakPolarHBondContact O-CG 3.35Å; F405-L409 PolarHBondContact O-N 3.05Å
406A94.6Very high91.5Very high30 Ų3028 Ų2825%0.24817%0.173CC..Hα-helixtrans-58.6-51.5-179.200000112.3A402 S403 S408 L409 V427A402-A406 VanDerWaalsContact O-CB 3.31Å; A402-A406 WeakPolarHBondContact O-CB 3.45Å; A402-A406 PolarHBondContact O-N 3.43Å; S403-A406 PolarHBondContact O-N 3.17Å; A406-S408 PolarHBondContact O-N 2.98Å; A406-L409 WeakPolarHBondContact O-CB 3.42Å; A406-L409 PolarHBondContact O-N 3.37Å; A406-L409 VanDerWaalsContact O-N 3.13Å; A406-V427 WeakPolarHBondContact O-CG1 3.27Å
407V94.9Very high90.7Very high16 Ų1632.9 Ų32.910%0.09718%0.183CC..Hα-helixtrans-59.1-36.8177.3171.10000110.8S403 F405 L409 V410 P411 A430 Y431 V434 V440S403-V407 WeakPolarHBondContact O-CG2 3.36Å; S403-V407 PolarHBondContact O-N 3.33Å; F405-V407 PolarHBondContact O-N 2.84Å; V407-L409 PolarHBondContact O-N 3.42Å; V407-V410 PolarHBondContact O-N 2.88Å; V407-P411 WeakPolarHBondContact O-CD 3.3Å; V407-A430 HydrophobicContact CG2-CB 4.28Å; V407-Y431 HydrophobicContact CG1-CD2 3.75Å; V407-Y431 HydrophobicContact CG1-CG 4.45Å; V407-V434 HydrophobicContact CG1-CG2 3.68Å; V407-V434 HydrophobicContact CG2-CG2 4.47Å; V407-V440 HydrophobicContact CB-CG2 4.42Å; V407-V440 HydrophobicContact CG1-CB 4.44Å; V407-V440 HydrophobicContact CG1-CG2 3.88Å
408S95.1Very high89.8Confident1 Ų134.6 Ų34.61%0.00719%0.193CC..Hα-helixtrans-68.4-17.8-179.778.60000115.5W165 M404 F405 A406 V410 P411 F412 V440W165-S408 PolarHBondContact NE1-OG 3.42Å; M404-S408 VanDerWaalsContact O-CB 3.27Å; M404-S408 WeakPolarHBondContact O-CB 3.43Å; M404-S408 PolarHBondContact O-N 3.14Å; M404-S408 PolarHBondContact O-OG 2.81Å; F405-S408 PolarHBondContact O-N 3.45Å; F405-S408 VanDerWaalsContact O-N 3.12Å; F405-S408 PolarHBondContact O-OG 3.3Å; A406-S408 PolarHBondContact O-N 2.98Å; S408-V410 PolarHBondContact O-N 3.25Å; S408-P411 WeakPolarHBondContact O-CD 3.25Å; S408-F412 WeakPolarHBondContact O-CB 3.46Å; S408-F412 PolarHBondContact O-N 3.08Å; S408-V440 VanDerWaalsContact CA-CG1 3.43Å
409L93.3Very high89Confident19 Ų1934.4 Ų34.410%0.09919%0.191CC..Hα-helixtrans-65.7-27.3175.2-61.4-178.3000111.9W165 I360 F405 A406 V407 F412 S413 L423W165-L409 HydrophobicContact CH2-CD2 4.44Å; W165-L409 HydrophobicContact CZ2-CD2 3.91Å; I360-L409 HydrophobicContact CG1-CD2 4.17Å; I360-L409 HydrophobicContact CG2-CD1 4Å; I360-L409 HydrophobicContact CG2-CD2 3.94Å; F405-L409 HydrophobicContact CE1-CD1 4.23Å; F405-L409 HydrophobicContact CE1-CD2 4.23Å; F405-L409 HydrophobicContact CE1-CG 4.48Å; F405-L409 HydrophobicContact CE2-CD2 4.05Å; F405-L409 HydrophobicContact CZ-CD2 3.82Å; F405-L409 WeakPolarHBondContact O-CG 3.35Å; F405-L409 PolarHBondContact O-N 3.05Å; A406-L409 WeakPolarHBondContact O-CB 3.42Å; A406-L409 PolarHBondContact O-N 3.37Å; A406-L409 VanDerWaalsContact O-N 3.13Å; V407-L409 PolarHBondContact O-N 3.42Å; L409-F412 PolarHBondContact O-N 2.95Å; L409-S413 VanDerWaalsContact O-CB 3.31Å; L409-S413 WeakPolarHBondContact O-CB 3.34Å; L409-S413 PolarHBondContact O-N 3.4Å; L409-S413 PolarHBondContact O-OG 2.88Å; L409-L423 HydrophobicContact CB-CD2 4.3Å
410V92.2Very high88.2Confident2 Ų233.8 Ų33.81%0.01218%0.179CC..Hα-helixtrans-62.7-60.8-179.8-177.70000111.2V407 S408 F412 S413 Y414 L423 V427 R428 Y431V407-V410 PolarHBondContact O-N 2.88Å; S408-V410 PolarHBondContact O-N 3.25Å; V410-F412 VanDerWaalsContact C-N 3.28Å; V410-F412 PolarHBondContact O-N 2.99Å; V410-S413 PolarHBondContact O-N 3.39Å; V410-S413 PolarHBondContact O-OG 3.4Å; V410-Y414 HydrophobicContact CG1-CE1 4.37Å; V410-L423 HydrophobicContact CG2-CD1 4.33Å; V410-V427 HydrophobicContact CG2-CG1 3.78Å; V410-R428 HydrophobicContact CG2-CG 4.33Å; V410-Y431 HydrophobicContact CB-CD1 4.44Å; V410-Y431 HydrophobicContact CB-CD2 3.93Å; V410-Y431 HydrophobicContact CB-CG 3.87Å; V410-Y431 HydrophobicContact CG1-CD1 3.86Å; V410-Y431 HydrophobicContact CG1-CD2 4.2Å; V410-Y431 HydrophobicContact CG1-CE1 4.35Å; V410-Y431 HydrophobicContact CG1-CG 3.8Å; V410-Y431 HydrophobicContact CG2-CD2 4.5Å; V410-Y431 HydrophobicContact CG2-CG 4.17Å
411P90.5Very high87.3Confident4 Ų435.7 Ų35.73%0.02619%0.19CC..Hα-helixtrans-67.7-26.8177.725.8-33.9000113.6V407 S408 S413 Y414 Y431 V440 N441V407-P411 WeakPolarHBondContact O-CD 3.3Å; S408-P411 WeakPolarHBondContact O-CD 3.25Å; P411-S413 VanDerWaalsContact C-N 3.34Å; P411-Y414 HydrophobicContact CB-CD2 4.16Å; P411-Y414 HydrophobicContact CB-CE2 4.09Å; P411-Y414 WeakPolarHBondContact O-CB 3.42Å; P411-Y414 PolarHBondContact O-N 2.68Å; P411-Y431 HydrophobicContact CG-CE2 4.07Å; P411-V440 HydrophobicContact CG-CB 4.29Å; P411-V440 HydrophobicContact CG-CG1 3.61Å; P411-N441 WeakPolarHBondContact CB-O 3.36Å
412F90.2Very high86.8Confident6 Ų644.2 Ų44.23%0.02622%0.222CC..Hα-helixtrans-64-39.8172.5-179.7-112.9000112W165 F168 R169 F172 T356 C359 I360 S408 L409 V410 Y414 V415W165-F412 HydrophobicContact CH2-CD1 4.42Å; W165-F412 HydrophobicContact CH2-CE1 4.35Å; W165-F412 HydrophobicContact CZ2-CD1 4.45Å; W165-F412 HydrophobicContact CZ2-CG 4.46Å; F168-F412 AromaticContact CE1-CE2 3.91Å; F168-F412 HydrophobicContact CE1-CE2 3.91Å; F168-F412 AromaticContact CE1-CZ 3.86Å; F168-F412 HydrophobicContact CE1-CZ 3.86Å; R169-F412 HydrophobicContact CB-CD2 4.41Å; R169-F412 HydrophobicContact CG-CB 4.41Å; R169-F412 HydrophobicContact CG-CD2 3.7Å; R169-F412 HydrophobicContact CG-CE2 4.3Å; R169-F412 HydrophobicContact CG-CG 4.27Å; F172-F412 AromaticContact CD1-CE2 3.84Å; F172-F412 HydrophobicContact CD1-CE2 3.84Å; F172-F412 HydrophobicContact CD1-CZ 4.21Å; F172-F412 HydrophobicContact CE1-CE2 4.31Å; F172-F412 HydrophobicContact CE1-CZ 4.29Å; T356-F412 HydrophobicContact CG2-CE1 4.32Å; C359-F412 HydrophobicContact CB-CE1 4.25Å; C359-F412 HydrophobicContact CB-CZ 4.04Å; I360-F412 HydrophobicContact CG1-CD1 4.16Å; I360-F412 HydrophobicContact CG1-CE1 3.93Å; S408-F412 WeakPolarHBondContact O-CB 3.46Å; S408-F412 PolarHBondContact O-N 3.08Å; L409-F412 PolarHBondContact O-N 2.95Å; V410-F412 VanDerWaalsContact C-N 3.28Å; V410-F412 PolarHBondContact O-N 2.99Å; F412-Y414 PolarHBondContact O-N 2.79Å; F412-V415 WeakPolarHBondContact O-CB 3.46Å; F412-V415 WeakPolarHBondContact O-CG2 3.13Å; F412-V415 PolarHBondContact O-N 2.85Å
413S87.7Confident86.3Confident0 Ų043.3 Ų43.30%021%0.211CC..Hα-helixtrans-67.6-15.2178.770.80000114L409 V410 P411 V415 E416 H420 L423L409-S413 VanDerWaalsContact O-CB 3.31Å; L409-S413 WeakPolarHBondContact O-CB 3.34Å; L409-S413 PolarHBondContact O-N 3.4Å; L409-S413 PolarHBondContact O-OG 2.88Å; V410-S413 PolarHBondContact O-N 3.39Å; V410-S413 PolarHBondContact O-OG 3.4Å; P411-S413 VanDerWaalsContact C-N 3.34Å; S413-V415 PolarHBondContact O-N 3.5Å; S413-V415 VanDerWaalsContact O-N 3.11Å; S413-E416 CarbonylContact O-C 3.58Å; S413-E416 PolarHBondContact O-N 2.87Å; S413-H420 WeakPolarHBondContact OG-CB 3.22Å; S413-H420 PolarHBondContact OG-ND1 3.2Å; S413-L423 VanDerWaalsContact OG-CD1 3.27Å; S413-L423 WeakPolarHBondContact OG-CD1 3.3Å
414Y85.9Confident85.9Confident115 Ų11549.1 Ų49.145%0.45122%0.222SC..THydrogen-bonded Turntrans-63.8-15.6174.3-61.7-26.5000113.5V410 P411 F412 E416 H420V410-Y414 HydrophobicContact CG1-CE1 4.37Å; P411-Y414 HydrophobicContact CB-CD2 4.16Å; P411-Y414 HydrophobicContact CB-CE2 4.09Å; P411-Y414 WeakPolarHBondContact O-CB 3.42Å; P411-Y414 PolarHBondContact O-N 2.68Å; F412-Y414 PolarHBondContact O-N 2.79Å; Y414-E416 PolarHBondContact O-N 2.74Å; Y414-H420 AromaticContact CD1-ND1 3.82Å; Y414-H420 AromaticContact CE1-CE1 3.44Å; Y414-H420 VanDerWaalsContact CE1-CE1 3.44Å; Y414-H420 WeakPolarHBondContact CE1-CE1 3.26Å; Y414-H420 AromaticContact CE1-ND1 3.56Å
415V80.4Confident85.6Confident24 Ų2451.4 Ų51.415%0.14524%0.239CC..THydrogen-bonded Turntrans-62.9-31.4171.9178.10000111.4A173 V176 F412 S413A173-V415 HydrophobicContact CB-CG2 4.11Å; V176-V415 HydrophobicContact CB-CG1 4.02Å; V176-V415 HydrophobicContact CG1-CG1 3.38Å; F412-V415 WeakPolarHBondContact O-CB 3.46Å; F412-V415 WeakPolarHBondContact O-CG2 3.13Å; F412-V415 PolarHBondContact O-N 2.85Å; S413-V415 PolarHBondContact O-N 3.5Å; S413-V415 VanDerWaalsContact O-N 3.11Å
416E80.6Confident85.4Confident16 Ų1651.9 Ų51.98%0.07525%0.248CC..SBendtrans-140.7108.3-176.3-162.1-86.3129.100110.6K353 T356 S413 Y414 D418 S419 H420K353-E416 HydrophobicContact CG-CG 4.08Å; K353-E416 WeakPolarHBondContact CG-OE1 2.84Å; T356-E416 HydrophobicContact CG2-CB 4.36Å; S413-E416 CarbonylContact O-C 3.58Å; S413-E416 PolarHBondContact O-N 2.87Å; Y414-E416 PolarHBondContact O-N 2.74Å; E416-D418 VanDerWaalsContact C-N 3.32Å; E416-D418 PolarHBondContact O-N 3.42Å; E416-D418 VanDerWaalsContact OE1-CB 3.25Å; E416-D418 WeakPolarHBondContact OE1-CB 3.47Å; E416-D418 PolarHBondContact OE1-N 3.41Å; E416-S419 PolarHBondContact O-N 3.39Å; E416-S419 WeakPolarHBondContact OE2-CB 3.44Å; E416-S419 PolarHBondContact OE2-N 2.93Å; E416-S419 PolarHBondContact OE2-OG 2.88Å; E416-H420 PolarHBondContact O-N 2.93Å
417Y73.3Confident85.2Confident192 Ų19251.5 Ų51.575%0.75324%0.242SC*.Hα-helixtrans-57.2-38.1-168.9-176.7-96.1000114.1H420Y417-H420 WeakPolarHBondContact O-CB 3.4Å; Y417-H420 PolarHBondContact O-N 3.24Å
418D72Confident85Confident57 Ų5755 Ų5531%0.30525%0.253SS..Hα-helixtrans-70.1-37.9-176.5-60.8-21.5000111K353 E416 H420 S421 R422K353-D418 VanDerWaalsContact CE-OD2 3.27Å; K353-D418 WeakPolarHBondContact CE-OD2 3.46Å; K353-D418 IonicContact NZ-OD2 2.74Å; K353-D418 PolarHBondContact NZ-OD2 3.19Å; E416-D418 VanDerWaalsContact C-N 3.32Å; E416-D418 PolarHBondContact O-N 3.42Å; E416-D418 VanDerWaalsContact OE1-CB 3.25Å; E416-D418 WeakPolarHBondContact OE1-CB 3.47Å; E416-D418 PolarHBondContact OE1-N 3.41Å; D418-H420 VanDerWaalsContact C-N 3.28Å; D418-H420 PolarHBondContact O-N 3.08Å; D418-S421 PolarHBondContact O-N 3.33Å; D418-S421 PolarHBondContact O-OG 3.16Å; D418-R422 PolarHBondContact O-N 2.96Å
419S74.6Confident84.9Confident7 Ų761.6 Ų61.65%0.04928%0.284CS..Hα-helixtrans-59.4-37.4174.5-730000112.7E416 S421 R422 L423E416-S419 PolarHBondContact O-N 3.39Å; E416-S419 WeakPolarHBondContact OE2-CB 3.44Å; E416-S419 PolarHBondContact OE2-N 2.93Å; E416-S419 PolarHBondContact OE2-OG 2.88Å; S419-S421 VanDerWaalsContact C-N 3.31Å; S419-S421 PolarHBondContact O-N 2.77Å; S419-R422 PolarHBondContact O-N 2.56Å; S419-L423 PolarHBondContact O-N 2.72Å
420H76.9Confident84.9Confident43 Ų4362.5 Ų62.520%0.19929%0.294CS..Hα-helixtrans-60.8-40.2178.7-177.170.5000112.3S413 Y414 E416 Y417 D418 R422 L423S413-H420 WeakPolarHBondContact OG-CB 3.22Å; S413-H420 PolarHBondContact OG-ND1 3.2Å; Y414-H420 AromaticContact CD1-ND1 3.82Å; Y414-H420 AromaticContact CE1-CE1 3.44Å; Y414-H420 VanDerWaalsContact CE1-CE1 3.44Å; Y414-H420 WeakPolarHBondContact CE1-CE1 3.26Å; Y414-H420 AromaticContact CE1-ND1 3.56Å; E416-H420 PolarHBondContact O-N 2.93Å; Y417-H420 WeakPolarHBondContact O-CB 3.4Å; Y417-H420 PolarHBondContact O-N 3.24Å; D418-H420 VanDerWaalsContact C-N 3.28Å; D418-H420 PolarHBondContact O-N 3.08Å; H420-R422 VanDerWaalsContact C-N 3.28Å; H420-R422 PolarHBondContact O-N 3.5Å; H420-L423 PolarHBondContact O-N 3.01Å
421S76.3Confident84.9Confident69 Ų6963.8 Ų63.848%0.48330%0.299SS..Hα-helixtrans-67.8-27.7178.770.90000113.4D418 S419D418-S421 PolarHBondContact O-N 3.33Å; D418-S421 PolarHBondContact O-OG 3.16Å; S419-S421 VanDerWaalsContact C-N 3.31Å; S419-S421 PolarHBondContact O-N 2.77Å
422R83.3Confident84.9Confident179 Ų17966 Ų6668%0.67532%0.322SS*.Hα-helixtrans-81.8-11.4179.5-65.4176.2-174.8-169.21.4113.5D418 S419 H420D418-R422 PolarHBondContact O-N 2.96Å; S419-R422 PolarHBondContact O-N 2.56Å; H420-R422 VanDerWaalsContact C-N 3.28Å; H420-R422 PolarHBondContact O-N 3.5Å
423L84.9Confident84.9Confident22 Ų2272.1 Ų72.112%0.11536%0.355CS..SBendtrans-66.3138.8177.5-72.1178.9000111.4L409 V410 S413 S419 H420 R428L409-L423 HydrophobicContact CB-CD2 4.3Å; V410-L423 HydrophobicContact CG2-CD1 4.33Å; S413-L423 VanDerWaalsContact OG-CD1 3.27Å; S413-L423 WeakPolarHBondContact OG-CD1 3.3Å; S419-L423 PolarHBondContact O-N 2.72Å; H420-L423 PolarHBondContact O-N 3.01Å; L423-R428 PolarHBondContact O-NE 3.08Å; L423-R428 PolarHBondContact O-NH2 3.2Å
424W86.2Confident85Confident195 Ų19574 Ų7474%0.73937%0.366SS*.  trans-53.2126.4178-178.242.3000110.4G426 V427W424-G426 PolarHBondContact O-N 2.82Å; W424-G426 VanDerWaalsContact O-N 3.15Å; W424-V427 HydrophobicContact CB-CG2 4.17Å; W424-V427 HydrophobicContact CD2-CG2 4.44Å; W424-V427 HydrophobicContact CE3-CG2 3.74Å; W424-V427 WeakPolarHBondContact O-CB 3.3Å; W424-V427 PolarHBondContact O-N 3.1Å
425P89.5Confident85.2Confident69 Ų6971.4 Ų71.445%0.44836%0.36SS..Hα-helixtrans-55.9-33-175.9-29.236.2000114.3V427 R428 Q429P425-V427 VanDerWaalsContact C-N 3.27Å; P425-V427 PolarHBondContact O-N 2.97Å; P425-R428 PolarHBondContact O-N 2.69Å; P425-R428 VanDerWaalsContact O-N 3.15Å; P425-Q429 WeakPolarHBondContact O-CG 3.32Å; P425-Q429 PolarHBondContact O-N 3.43Å
426G91.4Very high85.6Confident24 Ų2476.7 Ų76.725%0.24738%0.377CS..Hα-helixtrans-59.3-37176.500000113W424 Q429 A430W424-G426 PolarHBondContact O-N 2.82Å; W424-G426 VanDerWaalsContact O-N 3.15Å; G426-Q429 PolarHBondContact O-N 3.44Å; G426-A430 WeakPolarHBondContact O-CB 3.5Å; G426-A430 PolarHBondContact O-N 3.2Å
427V90.6Very high86.1Confident21 Ų2179.3 Ų79.313%0.12739%0.387CS..Hα-helixtrans-68.5-38.7177.1-177.20000111.2A406 V410 W424 P425 A430 Y431A406-V427 WeakPolarHBondContact O-CG1 3.27Å; V410-V427 HydrophobicContact CG2-CG1 3.78Å; W424-V427 HydrophobicContact CB-CG2 4.17Å; W424-V427 HydrophobicContact CD2-CG2 4.44Å; W424-V427 HydrophobicContact CE3-CG2 3.74Å; W424-V427 WeakPolarHBondContact O-CB 3.3Å; W424-V427 PolarHBondContact O-N 3.1Å; P425-V427 VanDerWaalsContact C-N 3.27Å; P425-V427 PolarHBondContact O-N 2.97Å; V427-A430 PolarHBondContact O-N 3.1Å; V427-Y431 WeakPolarHBondContact O-CB 3.01Å; V427-Y431 PolarHBondContact O-N 3.07Å
428R90.9Very high87Confident90 Ų9070.8 Ų70.834%0.3435%0.354SS..Hα-helixtrans-67-39.9176-71.3-175.1-79.2168.9-8.7112V410 L423 P425 Y431 G432V410-R428 HydrophobicContact CG2-CG 4.33Å; L423-R428 PolarHBondContact O-NE 3.08Å; L423-R428 PolarHBondContact O-NH2 3.2Å; P425-R428 PolarHBondContact O-N 2.69Å; P425-R428 VanDerWaalsContact O-N 3.15Å; R428-Y431 PolarHBondContact O-N 2.93Å; R428-G432 PolarHBondContact O-N 2.99Å
429Q92.6Very high88Confident140 Ų14069 Ų6965%0.65435%0.345SS*.Hα-helixtrans-64.6-45.5173.9-70.8176.6-2.200111.4P425 G426 Y431 G432 L433P425-Q429 WeakPolarHBondContact O-CG 3.32Å; P425-Q429 PolarHBondContact O-N 3.43Å; G426-Q429 PolarHBondContact O-N 3.44Å; Q429-Y431 VanDerWaalsContact C-N 3.34Å; Q429-Y431 PolarHBondContact O-N 3.28Å; Q429-G432 PolarHBondContact O-N 3.46Å; Q429-G432 VanDerWaalsContact O-N 3.13Å; Q429-L433 PolarHBondContact O-N 2.78Å; Q429-L433 VanDerWaalsContact O-N 3.15Å
430A92.4Very high88.9Confident38 Ų3868.8 Ų68.831%0.31434%0.343SS..Hα-helixtrans-58.5-44.3175.600000111.9V407 G426 V427 G432 L433 V434V407-A430 HydrophobicContact CG2-CB 4.28Å; G426-A430 WeakPolarHBondContact O-CB 3.5Å; G426-A430 PolarHBondContact O-N 3.2Å; V427-A430 PolarHBondContact O-N 3.1Å; A430-G432 PolarHBondContact O-N 3.27Å; A430-L433 PolarHBondContact O-N 2.79Å; A430-V434 PolarHBondContact O-N 2.88Å
431Y93.1Very high89.7Confident29 Ų2967.1 Ų67.111%0.11434%0.335CS..Hα-helixtrans-57.3-46.6173.2176.5-91.2000111.8V407 V410 P411 V427 R428 Q429 L433 V434 D435V407-Y431 HydrophobicContact CG1-CD2 3.75Å; V407-Y431 HydrophobicContact CG1-CG 4.45Å; V410-Y431 HydrophobicContact CB-CD1 4.44Å; V410-Y431 HydrophobicContact CB-CD2 3.93Å; V410-Y431 HydrophobicContact CB-CG 3.87Å; V410-Y431 HydrophobicContact CG1-CD1 3.86Å; V410-Y431 HydrophobicContact CG1-CD2 4.2Å; V410-Y431 HydrophobicContact CG1-CE1 4.35Å; V410-Y431 HydrophobicContact CG1-CG 3.8Å; V410-Y431 HydrophobicContact CG2-CD2 4.5Å; V410-Y431 HydrophobicContact CG2-CG 4.17Å; P411-Y431 HydrophobicContact CG-CE2 4.07Å; V427-Y431 WeakPolarHBondContact O-CB 3.01Å; V427-Y431 PolarHBondContact O-N 3.07Å; R428-Y431 PolarHBondContact O-N 2.93Å; Q429-Y431 VanDerWaalsContact C-N 3.34Å; Q429-Y431 PolarHBondContact O-N 3.28Å; Y431-L433 PolarHBondContact O-N 2.95Å; Y431-V434 PolarHBondContact O-N 3.38Å; Y431-D435 HydrophobicContact CD1-CB 4.48Å; Y431-D435 HydrophobicContact CE1-CB 4.05Å; Y431-D435 WeakPolarHBondContact CE1-OD1 3.36Å; Y431-D435 WeakPolarHBondContact O-CB 3.44Å; Y431-D435 PolarHBondContact O-N 3.12Å; Y431-D435 PolarHBondContact OH-OD1 2.83Å
432G90.3Very high90.3Very high49 Ų4966.8 Ų66.851%0.50533%0.333SS..Hα-helixtrans-59.9-29.1178.400000114.5R428 Q429 A430R428-G432 PolarHBondContact O-N 2.99Å; Q429-G432 PolarHBondContact O-N 3.46Å; Q429-G432 VanDerWaalsContact O-N 3.13Å; A430-G432 PolarHBondContact O-N 3.27Å
433L89.8Confident90.6Very high136 Ų13658.9 Ų58.971%0.71230%0.303SS*.Hα-helixtrans-74.5-30.5175.6-65.5175.6000112.9Q429 A430 Y431Q429-L433 PolarHBondContact O-N 2.78Å; Q429-L433 VanDerWaalsContact O-N 3.15Å; A430-L433 PolarHBondContact O-N 2.79Å; Y431-L433 PolarHBondContact O-N 2.95Å
434V91.1Very high90.4Very high38 Ų3858.4 Ų58.423%0.2330%0.304CS..Hα-helixtrans-105.4-10.8-174-56.40000114.6V407 A430 Y431 R436 Y437 L439V407-V434 HydrophobicContact CG1-CG2 3.68Å; V407-V434 HydrophobicContact CG2-CG2 4.47Å; A430-V434 PolarHBondContact O-N 2.88Å; Y431-V434 PolarHBondContact O-N 3.38Å; V434-R436 PolarHBondContact O-N 2.96Å; V434-R436 VanDerWaalsContact O-N 3.14Å; V434-Y437 PolarHBondContact O-N 3.37Å; V434-L439 HydrophobicContact CB-CD1 3.87Å; V434-L439 HydrophobicContact CB-CG 4.37Å; V434-L439 HydrophobicContact CG1-CD1 4.21Å; V434-L439 HydrophobicContact CG2-CD1 4.4Å
435D88.6Confident89.9Confident61 Ų6150.1 Ų50.133%0.32627%0.274SS..G310 helixtrans-53.3-37-178.6-175.760.1000112.3Y431 Y437 Q438Y431-D435 HydrophobicContact CD1-CB 4.48Å; Y431-D435 HydrophobicContact CE1-CB 4.05Å; Y431-D435 WeakPolarHBondContact CE1-OD1 3.36Å; Y431-D435 WeakPolarHBondContact O-CB 3.44Å; Y431-D435 PolarHBondContact O-N 3.12Å; Y431-D435 PolarHBondContact OH-OD1 2.83Å; D435-Y437 PolarHBondContact O-N 3.14Å; D435-Q438 PolarHBondContact O-N 2.8Å; D435-Q438 PolarHBondContact O-NE2 3.06Å
436R89.1Confident89Confident135 Ų13549.3 Ų49.351%0.50926%0.263SS..G310 helixtrans-60.6-27.6177.4-64.4-175.5-179.1171.10.8113.9Q116 V434 Q438Q116-R436 PolarHBondContact NE2-O 3.33Å; V434-R436 PolarHBondContact O-N 2.96Å; V434-R436 VanDerWaalsContact O-N 3.14Å; R436-Q438 VanDerWaalsContact C-N 3.32Å
437Y91.4Very high88.5Confident72 Ų7254.6 Ų54.628%0.28228%0.276SS..G310 helixtrans-89.1-1.6178.6-56.4-81.2000112.4P61 W108 L112 V434 D435 L439P61-Y437 HydrophobicContact CB-CD1 4.05Å; P61-Y437 HydrophobicContact CB-CE1 3.76Å; P61-Y437 HydrophobicContact CG-CD1 4.02Å; P61-Y437 HydrophobicContact CG-CE1 4.02Å; W108-Y437 HydrophobicContact CH2-CD1 4.25Å; W108-Y437 WeakPolarHBondContact CZ2-O 3.47Å; L112-Y437 HydrophobicContact CD2-CD1 4.09Å; V434-Y437 PolarHBondContact O-N 3.37Å; D435-Y437 PolarHBondContact O-N 3.14Å; Y437-L439 PolarHBondContact O-N 3.29Å; Y437-L439 VanDerWaalsContact O-N 3.17Å
438Q92.8Very high88.2Confident13 Ų1361.5 Ų61.56%0.06130%0.299CS..THydrogen-bonded Turntrans5533.4179.6-55.2-70.7-79.500112.9L112 Y115 L131 D435 R436 V440 N441L112-Q438 HydrophobicContact CD1-CG 4.45Å; Y115-Q438 HydrophobicContact CD1-CG 4.11Å; Y115-Q438 HydrophobicContact CE1-CG 3.5Å; Y115-Q438 PolarHBondContact OH-OE1 2.9Å; L131-Q438 HydrophobicContact CB-CB 4.2Å; L131-Q438 HydrophobicContact CD1-CB 3.84Å; L131-Q438 HydrophobicContact CD1-CG 4.02Å; D435-Q438 PolarHBondContact O-N 2.8Å; D435-Q438 PolarHBondContact O-NE2 3.06Å; R436-Q438 VanDerWaalsContact C-N 3.32Å; Q438-V440 VanDerWaalsContact C-N 3.26Å; Q438-V440 PolarHBondContact O-N 3.22Å; Q438-N441 PolarHBondContact O-ND2 2.89Å; Q438-N441 VanDerWaalsContact O-ND2 3.08Å; Q438-N441 PolarHBondContact OE1-OD1 3.41Å
439L93.3Very high87.9Confident20 Ų2058 Ų5811%0.10529%0.287CS..SBendtrans-64.7-32.8-179.1-57-171.2000112.1W108 E132 F135 M404 V434 Y437W108-L439 HydrophobicContact CH2-CD2 4.14Å; W108-L439 HydrophobicContact CZ2-CD2 3.55Å; E132-L439 VanDerWaalsContact CG-O 3.31Å; E132-L439 WeakPolarHBondContact CG-O 3.45Å; F135-L439 HydrophobicContact CB-CD2 4.26Å; F135-L439 HydrophobicContact CD1-CD2 4.01Å; F135-L439 HydrophobicContact CD2-CD2 3.53Å; F135-L439 HydrophobicContact CE1-CD1 4.36Å; F135-L439 HydrophobicContact CE1-CD2 4.24Å; F135-L439 HydrophobicContact CE2-CD2 3.77Å; F135-L439 HydrophobicContact CG-CD2 3.65Å; F135-L439 HydrophobicContact CZ-CD1 4.23Å; F135-L439 HydrophobicContact CZ-CD2 4.12Å; M404-L439 HydrophobicContact CE-CB 4.39Å; M404-L439 HydrophobicContact SD-CB 4.48Å; V434-L439 HydrophobicContact CB-CD1 3.87Å; V434-L439 HydrophobicContact CB-CG 4.37Å; V434-L439 HydrophobicContact CG1-CD1 4.21Å; V434-L439 HydrophobicContact CG2-CD1 4.4Å; Y437-L439 PolarHBondContact O-N 3.29Å; Y437-L439 VanDerWaalsContact O-N 3.17Å
440V93.3Very high87.5Confident2 Ų253 Ų531%0.01227%0.266CS..SBendtrans-141.4134.4175.8-165.30000110.5E132 R169 M404 V407 S408 P411 Q438E132-V440 WeakPolarHBondContact OE1-CG1 3.24Å; R169-V440 VanDerWaalsContact NH1-CG1 3.33Å; M404-V440 HydrophobicContact CE-CG2 3.97Å; V407-V440 HydrophobicContact CB-CG2 4.42Å; V407-V440 HydrophobicContact CG1-CB 4.44Å; V407-V440 HydrophobicContact CG1-CG2 3.88Å; S408-V440 VanDerWaalsContact CA-CG1 3.43Å; P411-V440 HydrophobicContact CG-CB 4.29Å; P411-V440 HydrophobicContact CG-CG1 3.61Å; Q438-V440 VanDerWaalsContact C-N 3.26Å; Q438-V440 PolarHBondContact O-N 3.22Å
441N92.4Very high86.9Confident8 Ų851.9 Ų51.94%0.04326%0.258CS..  trans-126.1168.3-174.8-60.4-75.3000112.9N128 E132 P411 Q438N128-N441 HydrophobicContact CB-CB 4.14Å; N128-N441 PolarHBondContact O-ND2 3.44Å; E132-N441 PolarHBondContact OE2-N 3.17Å; E132-N441 PolarHBondContact OE2-ND2 3.29Å; P411-N441 WeakPolarHBondContact CB-O 3.36Å; Q438-N441 PolarHBondContact O-ND2 2.89Å; Q438-N441 VanDerWaalsContact O-ND2 3.08Å; Q438-N441 PolarHBondContact OE1-OD1 3.41Å
442S90Very high86.4Confident61 Ų6154.2 Ų54.243%0.42728%0.275SS..  trans-99.7144.2171.767.90000111.3
443Y89.7Confident86.1Confident14 Ų1453.7 Ų53.76%0.05527%0.27CS..  trans-121.1143.3-175.1-60.7-72.6000111.1L129 E132 L166 L170 A173L129-Y443 HydrophobicContact CB-CE1 3.97Å; L129-Y443 HydrophobicContact CD1-CE1 3.84Å; L129-Y443 WeakPolarHBondContact CD1-OH 3.46Å; L129-Y443 HydrophobicContact CG-CE1 4.45Å; E132-Y443 PolarHBondContact OE2-OH 3.35Å; L166-Y443 HydrophobicContact CD1-CE2 3.75Å; L170-Y443 HydrophobicContact CD1-CD1 3.53Å; L170-Y443 HydrophobicContact CD1-CD2 4.28Å; L170-Y443 HydrophobicContact CD1-CE1 4.12Å; L170-Y443 HydrophobicContact CD1-CG 3.63Å; A173-Y443 WeakPolarHBondContact CB-O 3.32Å
444G81.1Confident86.1Confident12 Ų1247.4 Ų47.412%0.12424%0.238CC..  trans-176.258.7-173.800000114.1
445L74.6Confident86.2Confident21 Ų2145.7 Ų45.711%0.1123%0.227CC..THydrogen-bonded Turntrans-71.3139.8-176.8-70.9156.7000111.9Q125 F266 R447Q125-L445 HydrophobicContact CB-CD2 4.31Å; Q125-L445 VanDerWaalsContact OE1-CG 3.23Å; F266-L445 HydrophobicContact CD1-CD1 4.39Å; F266-L445 HydrophobicContact CE1-CD1 3.45Å; F266-L445 VanDerWaalsContact CE1-CD1 3.45Å; F266-L445 HydrophobicContact CE2-CD1 3.76Å; F266-L445 HydrophobicContact CZ-CD1 3.09Å; F266-L445 HydrophobicContact CZ-CG 4.48Å; L445-R447 PolarHBondContact O-N 3.44Å; L445-R447 VanDerWaalsContact O-N 3.15Å
446F70.9Confident86.6Confident52 Ų5243.7 Ų43.723%0.22822%0.218CC..THydrogen-bonded Turntrans52.236.5175-60.5-67.6000114.6W186 Y263 R448W186-F446 HydrophobicContact CZ2-CB 4.34Å; W186-F446 PolarHBondContact NE1-O 3.11Å; Y263-F446 HydrophobicContact CD1-CE2 4.49Å; Y263-F446 HydrophobicContact CD1-CZ 4.43Å; Y263-F446 AromaticContact CE1-CE2 3.65Å; Y263-F446 HydrophobicContact CE1-CE2 3.65Å; Y263-F446 AromaticContact CE1-CZ 3.46Å; Y263-F446 HydrophobicContact CE1-CZ 3.46Å; Y263-F446 VanDerWaalsContact CE1-CZ 3.46Å; F446-R448 PolarHBondContact O-N 2.89Å; F446-R448 VanDerWaalsContact O-N 3.16Å
447R81.3Confident86.9Confident135 Ų13537.3 Ų37.351%0.50919%0.194SC..SBendtrans-48.5-45.5180-178.8179.3-71.3174.9-1.2112V177 S181 L445V177-R447 HydrophobicContact CB-CB 4.47Å; V177-R447 HydrophobicContact CB-CG 4.26Å; V177-R447 HydrophobicContact CG2-CB 4.31Å; S181-R447 VanDerWaalsContact CB-CG 3.45Å; S181-R447 WeakPolarHBondContact CB-O 3.45Å; S181-R447 PolarHBondContact OG-O 3.47Å; L445-R447 PolarHBondContact O-N 3.44Å; L445-R447 VanDerWaalsContact O-N 3.15Å
448R83Confident87.1Confident166 Ų16633.9 Ų33.963%0.62618%0.18SC*.SBendtrans-123.4138.3173.5-69.3-175.6176.7166.21.4109.7S181 C183 F446 T450S181-R448 PolarHBondContact O-NE 2.86Å; S181-R448 PolarHBondContact O-NH2 3.29Å; C183-R448 HydrophobicContact CB-CG 4.28Å; F446-R448 PolarHBondContact O-N 2.89Å; F446-R448 VanDerWaalsContact O-N 3.16Å; R448-T450 PolarHBondContact O-N 2.7Å
449M86.4Confident87.4Confident15 Ų1533.5 Ų33.57%0.07418%0.179CC..  trans-69.7126.3172.8-157.364.3-130.500109.3C183 T185 A191 H195 T198 V452C183-M449 PolarHBondContact SG-N 2.97Å; T185-M449 VanDerWaalsContact OG1-CB 3.23Å; T185-M449 WeakPolarHBondContact OG1-CB 3.25Å; A191-M449 HydrophobicContact CB-SD 4.42Å; H195-M449 HydrophobicContact CB-CE 3.94Å; H195-M449 HydrophobicContact CB-SD 4.19Å; T198-M449 WeakPolarHBondContact OG1-CE 3.22Å; M449-V452 HydrophobicContact CB-CG2 4.39Å; M449-V452 HydrophobicContact CG-CG2 4.49Å
450T83.5Confident87.6Confident36 Ų3632.5 Ų32.522%0.22117%0.174CC..  trans-101.4159.1177.453.10000110.4T198 R448 V452 W500 L504T198-T450 VanDerWaalsContact CB-O 3.26Å; T198-T450 WeakPolarHBondContact CB-O 3.39Å; T198-T450 WeakPolarHBondContact CG2-O 3.32Å; T198-T450 PolarHBondContact OG1-O 2.9Å; R448-T450 PolarHBondContact O-N 2.7Å; T450-V452 VanDerWaalsContact C-N 3.34Å; T450-V452 PolarHBondContact O-N 3.41Å; T450-W500 HydrophobicContact CG2-CH2 4.47Å; T450-W500 WeakPolarHBondContact OG1-CZ2 3.39Å; T450-L504 HydrophobicContact CG2-CD1 3.85Å; T450-L504 HydrophobicContact CG2-CD2 4.06Å
451G79.2Confident87.8Confident14 Ų1432.9 Ų32.914%0.14418%0.176CC..  trans6926179.200000115T198 G453 G454T198-G451 WeakPolarHBondContact CG2-O 3.31Å; G451-G453 PolarHBondContact O-N 2.82Å; G451-G453 VanDerWaalsContact O-N 3.16Å; G451-G454 CarbonylContact C-O 3.49Å; G451-G454 WeakPolarHBondContact CA-O 3.47Å; G451-G454 CarbonylContact O-C 2.84Å; G451-G454 VanDerWaalsContact O-C 3.29Å; G451-G454 PolarHBondContact O-N 2.8Å
452V83.4Confident88.1Confident78 Ų7832.5 Ų32.547%0.47317%0.173SC..THydrogen-bonded Turntrans-62.8118.6174.4-177.80000108.7T185 Y194 M449 T450T185-V452 HydrophobicContact CG2-CG1 4.5Å; T185-V452 HydrophobicContact CG2-CG2 3.98Å; Y194-V452 HydrophobicContact CE1-CG1 4.26Å; M449-V452 HydrophobicContact CB-CG2 4.39Å; M449-V452 HydrophobicContact CG-CG2 4.49Å; T450-V452 VanDerWaalsContact C-N 3.34Å; T450-V452 PolarHBondContact O-N 3.41Å
453G82.6Confident88.4Confident38 Ų3829.7 Ų29.739%0.39215%0.153SC..THydrogen-bonded Turntrans84.721.8-173.900000114.3G451 W556G451-G453 PolarHBondContact O-N 2.82Å; G451-G453 VanDerWaalsContact O-N 3.16Å; G453-W556 WeakPolarHBondContact O-CZ2 3.41Å
454G90.4Very high88.7Confident5 Ų532.8 Ų32.85%0.05217%0.171CC..SBendtrans126.8134.5172.800000112G451 P456 W556G451-G454 CarbonylContact C-O 3.49Å; G451-G454 WeakPolarHBondContact CA-O 3.47Å; G451-G454 CarbonylContact O-C 2.84Å; G451-G454 VanDerWaalsContact O-C 3.29Å; G451-G454 PolarHBondContact O-N 2.8Å; G454-P456 VanDerWaalsContact O-CD 3.32Å; G454-P456 WeakPolarHBondContact O-CD 3.14Å; G454-W556 VanDerWaalsContact CA-CE2 3.42Å; G454-W556 VanDerWaalsContact CA-NE1 3.26Å
455R94.4Very high89.3Confident1 Ų135.9 Ų35.90%0.00419%0.185CC..EExtended strand (participates in β ladder)trans-70.3115.1178.3178.2-161.5178.3106.29.7110.2E197 T198 Q199 C200 E457 W500 R554 Y555E197-R455 WeakPolarHBondContact O-CD 3.32Å; E197-R455 PolarHBondContact O-NH1 3.21Å; T198-R455 HydrophobicContact CG2-CB 4.21Å; Q199-R455 PolarHBondContact O-NH1 3.31Å; Q199-R455 PolarHBondContact O-NH2 3.08Å; C200-R455 PolarHBondContact O-NH2 2.99Å; R455-E457 HydrophobicContact CG-CG 4.25Å; R455-E457 IonicContact CZ-OE1 3.38Å; R455-E457 IonicContact NE-OE1 3.98Å; R455-E457 PolarHBondContact NE-OE1 2.93Å; R455-E457 IonicContact NH2-OE1 2.94Å; R455-E457 PolarHBondContact NH2-OE1 3.12Å; R455-W500 VanDerWaalsContact NH2-CD1 3.34Å; R455-R554 CarbonylContact O-C 3.48Å; R455-R554 WeakPolarHBondContact O-CA 3.27Å; R455-Y555 WeakPolarHBondContact CB-O 3.3Å; R455-Y555 PolarHBondContact N-O 3.21Å; R455-Y555 PolarHBondContact O-N 3.42Å
456P95.3Very high90.2Very high19 Ų1935.3 Ų35.312%0.12318%0.184CC..EExtended strand (participates in β ladder)trans-72136.4174.530.6-33.4000110.2G454 A503 L504 R552 Y553G454-P456 VanDerWaalsContact O-CD 3.32Å; G454-P456 WeakPolarHBondContact O-CD 3.14Å; P456-A503 HydrophobicContact CB-CB 4.19Å; P456-A503 WeakPolarHBondContact CB-O 3.03Å; P456-A503 HydrophobicContact CG-CB 4.42Å; P456-A503 WeakPolarHBondContact O-CB 3.39Å; P456-L504 HydrophobicContact CG-CD2 3.79Å; P456-R552 HydrophobicContact CB-CG 4.32Å; P456-Y553 CarbonylContact C-O 3.56Å; P456-Y553 WeakPolarHBondContact CA-O 3.15Å
457E96Very high91.3Very high1 Ų139.2 Ų39.21%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-140.9133.3177.6-78.5-62.4145.900110.2R455 K477 R552 Y553 Y555R455-E457 HydrophobicContact CG-CG 4.25Å; R455-E457 IonicContact CZ-OE1 3.38Å; R455-E457 IonicContact NE-OE1 3.98Å; R455-E457 PolarHBondContact NE-OE1 2.93Å; R455-E457 IonicContact NH2-OE1 2.94Å; R455-E457 PolarHBondContact NH2-OE1 3.12Å; E457-K477 IonicContact OE2-NZ 3.73Å; E457-R552 WeakPolarHBondContact O-CA 3.46Å; E457-Y553 PolarHBondContact N-O 2.9Å; E457-Y553 PolarHBondContact O-N 3.34Å; E457-Y555 HydrophobicContact CB-CD2 3.55Å; E457-Y555 HydrophobicContact CB-CE2 3.52Å; E457-Y555 HydrophobicContact CG-CD2 3.79Å; E457-Y555 HydrophobicContact CG-CE2 4.11Å; E457-Y555 HydrophobicContact CG-CG 4.31Å
458V96.8Very high92Very high0 Ų037.1 Ų37.10%021%0.21CC..EExtended strand (participates in β ladder)trans-91125175.71780000109M499 A503 F513 A550 H551 F579V458-M499 HydrophobicContact CB-CE 3.92Å; V458-M499 HydrophobicContact CG1-CE 4.03Å; V458-A503 HydrophobicContact CG2-CB 3.87Å; V458-F513 HydrophobicContact CG1-CE2 4.01Å; V458-F513 HydrophobicContact CG1-CZ 3.92Å; V458-A550 HydrophobicContact CG1-CB 3.91Å; V458-H551 WeakPolarHBondContact CA-O 3.25Å; V458-F579 HydrophobicContact CB-CD1 4.48Å; V458-F579 HydrophobicContact CG1-CD1 3.66Å; V458-F579 HydrophobicContact CG1-CE1 4.07Å; V458-F579 HydrophobicContact CG1-CG 4.15Å; V458-F579 HydrophobicContact CG2-CD1 3.91Å; V458-F579 HydrophobicContact CG2-CD2 3.89Å; V458-F579 HydrophobicContact CG2-CE1 4Å; V458-F579 HydrophobicContact CG2-CE2 3.96Å; V458-F579 HydrophobicContact CG2-CG 3.85Å; V458-F579 HydrophobicContact CG2-CZ 4.02Å
459V97.4Very high92.6Very high5 Ų531.7 Ų31.73%0.0319%0.189CC..EExtended strand (participates in β ladder)trans-111.4124.2176.7179.30000108.2E471 A550 H551 Y553V459-E471 HydrophobicContact CG1-CB 4.21Å; V459-E471 HydrophobicContact CG1-CG 3.68Å; V459-A550 VanDerWaalsContact O-CA 3.29Å; V459-A550 WeakPolarHBondContact O-CA 3.35Å; V459-H551 PolarHBondContact N-O 2.8Å; V459-H551 PolarHBondContact O-N 3.37Å; V459-Y553 HydrophobicContact CB-CD2 3.96Å; V459-Y553 HydrophobicContact CB-CE2 3.94Å; V459-Y553 HydrophobicContact CG2-CD2 3.64Å; V459-Y553 HydrophobicContact CG2-CE2 4.03Å
460I97.9Very high93.1Very high0 Ų034.2 Ų34.20%021%0.205CC..EExtended strand (participates in β ladder)trans-93.5134176.9-55.6176.6000107.9I472 F474 M499 F513 L516 M517 L520 L548 A550I460-I472 HydrophobicContact CG2-CD1 4.04Å; I460-I472 PolarHBondContact O-N 3.29Å; I460-F474 HydrophobicContact CD1-CE2 4.17Å; I460-F474 HydrophobicContact CD1-CZ 4.03Å; I460-M499 HydrophobicContact CD1-CE 4.39Å; I460-F513 HydrophobicContact CD1-CE2 4.03Å; I460-F513 HydrophobicContact CD1-CZ 4.12Å; I460-F513 HydrophobicContact CG1-CE2 4.33Å; I460-F513 HydrophobicContact CG1-CZ 4.11Å; I460-L516 HydrophobicContact CD1-CD2 3.79Å; I460-L516 HydrophobicContact CD1-CG 4.49Å; I460-M517 HydrophobicContact CD1-SD 4.2Å; I460-M517 HydrophobicContact CG1-SD 4.43Å; I460-M517 HydrophobicContact CG2-CE 4.33Å; I460-M517 HydrophobicContact CG2-SD 3.97Å; I460-L520 HydrophobicContact CD1-CD1 4.43Å; I460-L548 HydrophobicContact CG2-CD2 4.38Å; I460-A550 HydrophobicContact CG1-CB 4.37Å
461E97.8Very high93.7Very high10 Ų1035 Ų355%0.04721%0.207CC..EExtended strand (participates in β ladder)trans-122.6138.9176.3-67171.4-175.900109.6W469 T470 E471 L548 R549 H551E461-W469 HydrophobicContact CB-CB 4.33Å; E461-W469 HydrophobicContact CB-CE3 3.83Å; E461-T470 WeakPolarHBondContact CA-O 3.3Å; E461-E471 HydrophobicContact CG-CG 3.84Å; E461-L548 WeakPolarHBondContact O-CA 3.4Å; E461-R549 HydrophobicContact CB-CG 4.09Å; E461-R549 PolarHBondContact N-O 3.2Å; E461-R549 PolarHBondContact O-N 3.4Å; E461-R549 IonicContact OE2-CZ 3.14Å; E461-R549 IonicContact OE2-NE 3.03Å; E461-R549 PolarHBondContact OE2-NE 3.11Å; E461-R549 IonicContact OE2-NH2 2.7Å; E461-R549 PolarHBondContact OE2-NH2 3.17Å; E461-H551 IonicContact OE1-CD2 3.49Å; E461-H551 IonicContact OE2-CD2 3.66Å; E461-H551 PolarHBondContact OE2-CD2 3.33Å; E461-H551 IonicContact OE2-NE2 3.43Å
462G97.7Very high94.5Very high0 Ų034.6 Ų34.60%020%0.201CC..EExtended strand (participates in β ladder)trans-113.5159173.300000112.8W469 T470 F540 Y547G462-W469 WeakPolarHBondContact O-CA 3.23Å; G462-T470 PolarHBondContact N-O 3.4Å; G462-T470 PolarHBondContact O-N 3.32Å; G462-F540 WeakPolarHBondContact O-CZ 3.41Å; G462-Y547 CarbonylContact C-O 3.41Å; G462-Y547 WeakPolarHBondContact CA-O 3.47Å
463S97.8Very high95Very high1 Ų135.2 Ų35.21%0.00720%0.199CC..EExtended strand (participates in β ladder)trans-153.7144.9178.4-178.10000111.4D465 G466 T468 T546 Y547S463-D465 PolarHBondContact OG-N 3.38Å; S463-D465 PolarHBondContact OG-OD1 2.89Å; S463-G466 VanDerWaalsContact OG-CA 3.32Å; S463-G466 WeakPolarHBondContact OG-CA 3.3Å; S463-G466 PolarHBondContact OG-N 3.27Å; S463-T468 WeakPolarHBondContact CB-O 3.48Å; S463-T468 PolarHBondContact OG-O 3.16Å; S463-T546 PolarHBondContact O-N 3.26Å; S463-T546 VanDerWaalsContact O-N 3.11Å; S463-Y547 PolarHBondContact N-O 3.43Å; S463-Y547 PolarHBondContact O-N 2.84Å
464N95.9Very high95.6Very high80 Ų8034.3 Ų34.343%0.42818%0.184SC..SBendtrans-95.6-27.5174-68.4-14.5000112.3
465D94.1Very high95.7Very high77 Ų7736.2 Ų36.241%0.41219%0.192SC..SBendtrans-108.1-13.1-176.564.9-3.8000113.6S463 N467 T468S463-D465 PolarHBondContact OG-N 3.38Å; S463-D465 PolarHBondContact OG-OD1 2.89Å; D465-N467 VanDerWaalsContact C-N 3.29Å; D465-N467 PolarHBondContact OD1-N 3.3Å; D465-T468 VanDerWaalsContact CG-OG1 3.31Å; D465-T468 PolarHBondContact OD1-N 2.87Å; D465-T468 PolarHBondContact OD1-OG1 3.18Å; D465-T468 PolarHBondContact OD2-OG1 3.24Å; D465-T468 VanDerWaalsContact OD2-OG1 3.04Å
466G92.5Very high95.6Very high9 Ų936.8 Ų36.89%0.09320%0.195CC..SBendtrans82-1.8-174.100000114.8S463 W469S463-G466 VanDerWaalsContact OG-CA 3.32Å; S463-G466 WeakPolarHBondContact OG-CA 3.3Å; S463-G466 PolarHBondContact OG-N 3.27Å; G466-W469 PolarHBondContact O-NE1 2.94Å; G466-W469 VanDerWaalsContact O-NE1 3.15Å
467N93.6Very high95.6Very high134 Ų13436.6 Ų36.672%0.71719%0.192SC*.SBendtrans-112.4-46.1-176.3-61.4-41.6000112D465 W469D465-N467 VanDerWaalsContact C-N 3.29Å; D465-N467 PolarHBondContact OD1-N 3.3Å; N467-W469 VanDerWaalsContact O-CD1 3.27Å
468T95.6Very high95.4Very high91 Ų9137 Ų3756%0.55820%0.195SC*.SBendtrans-93.1120.917753.80000109.5S463 D465S463-T468 WeakPolarHBondContact CB-O 3.48Å; S463-T468 PolarHBondContact OG-O 3.16Å; D465-T468 VanDerWaalsContact CG-OG1 3.31Å; D465-T468 PolarHBondContact OD1-N 2.87Å; D465-T468 PolarHBondContact OD1-OG1 3.18Å; D465-T468 PolarHBondContact OD2-OG1 3.24Å; D465-T468 VanDerWaalsContact OD2-OG1 3.04Å
469W96.9Very high95.1Very high51 Ų5137.7 Ų37.719%0.19320%0.201CC..  trans-115.4126.8-173.9-69.288.6000110.1E461 G462 G466 N467 R549 R582E461-W469 HydrophobicContact CB-CB 4.33Å; E461-W469 HydrophobicContact CB-CE3 3.83Å; G462-W469 WeakPolarHBondContact O-CA 3.23Å; G466-W469 PolarHBondContact O-NE1 2.94Å; G466-W469 VanDerWaalsContact O-NE1 3.15Å; N467-W469 VanDerWaalsContact O-CD1 3.27Å; W469-R549 VanDerWaalsContact CD1-CZ 3.48Å; W469-R549 HydrophobicContact CD2-CG 4.31Å; W469-R549 VanDerWaalsContact CD2-CZ 3.44Å; W469-R549 VanDerWaalsContact CD2-NE 3.32Å; W469-R549 HydrophobicContact CE3-CG 3.72Å; W469-R549 HydrophobicContact CH2-CB 4.15Å; W469-R549 HydrophobicContact CH2-CG 3.95Å; W469-R549 HydrophobicContact CZ3-CB 4.02Å; W469-R549 HydrophobicContact CZ3-CG 3.53Å; W469-R582 HydrophobicContact CH2-CG 3.9Å; W469-R582 HydrophobicContact CZ2-CG 4.15Å
470T96.8Very high94.9Very high68 Ų6840.4 Ų40.442%0.41722%0.216SC..EExtended strand (participates in β ladder)trans-115.1128.1179.6-52.30000109.5E461 G462 P539E461-T470 WeakPolarHBondContact CA-O 3.3Å; G462-T470 PolarHBondContact N-O 3.4Å; G462-T470 PolarHBondContact O-N 3.32Å; T470-P539 HydrophobicContact CG2-CB 3.79Å; T470-P539 HydrophobicContact CG2-CG 3.89Å
471E96.3Very high94.7Very high53 Ų5341.6 Ų41.625%0.24822%0.223CC..EExtended strand (participates in β ladder)trans-67.9136.8176.9-70.1179.8-153.500111.2V459 E461 R573V459-E471 HydrophobicContact CG1-CB 4.21Å; V459-E471 HydrophobicContact CG1-CG 3.68Å; E461-E471 HydrophobicContact CG-CG 3.84Å; E471-R573 IonicContact OE1-CZ 3.56Å; E471-R573 IonicContact OE1-NH1 4Å; E471-R573 PolarHBondContact OE1-NH1 2.95Å; E471-R573 IonicContact OE1-NH2 2.63Å; E471-R573 PolarHBondContact OE1-NH2 3.18Å; E471-R573 IonicContact OE2-CZ 3.44Å; E471-R573 IonicContact OE2-NH1 3.63Å; E471-R573 PolarHBondContact OE2-NH1 3.34Å; E471-R573 IonicContact OE2-NH2 3.41Å; E471-R573 PolarHBondContact OE2-NH2 2.88Å
472I96.1Very high94.5Very high6 Ų644.1 Ų44.13%0.03124%0.242CC..  trans-91.9108.7172.7-64.4174.6000108I460 I531 Y538 F540 L548I460-I472 HydrophobicContact CG2-CD1 4.04Å; I460-I472 PolarHBondContact O-N 3.29Å; I472-I531 HydrophobicContact CG2-CD1 4.3Å; I472-I531 HydrophobicContact CG2-CG2 3.8Å; I472-Y538 HydrophobicContact CD1-CE2 4.14Å; I472-Y538 HydrophobicContact CG1-CE2 4.28Å; I472-Y538 HydrophobicContact CG2-CD2 4.14Å; I472-Y538 HydrophobicContact CG2-CE2 3.7Å; I472-F540 HydrophobicContact CD1-CD2 4.29Å; I472-F540 HydrophobicContact CD1-CE2 4.39Å; I472-F540 HydrophobicContact CG1-CD2 4.24Å; I472-F540 HydrophobicContact CG1-CE2 4.13Å; I472-L548 HydrophobicContact CD1-CD2 4.05Å
473E93.9Very high94.2Very high91 Ų9146.4 Ų46.443%0.42526%0.261SS..  trans-81129.2-179.2-65.2-167.816400112.4N480 Q532E473-N480 WeakPolarHBondContact OE1-CB 3.22Å; E473-N480 PolarHBondContact OE1-ND2 3.12Å; E473-Q532 WeakPolarHBondContact O-CG 3.32Å; E473-Q532 PolarHBondContact O-NE2 2.98Å; E473-Q532 VanDerWaalsContact O-NE2 3.08Å
474F94.8Very high93.9Very high18 Ų1849.3 Ų49.38%0.07928%0.281CS..  trans-86.6151.2174.9-76.9-114.4000110.8I460 Y476 K477 L495 M499 I531I460-F474 HydrophobicContact CD1-CE2 4.17Å; I460-F474 HydrophobicContact CD1-CZ 4.03Å; F474-Y476 PolarHBondContact O-N 3.44Å; F474-K477 HydrophobicContact CB-CD 4.25Å; F474-K477 HydrophobicContact CB-CG 3.53Å; F474-K477 HydrophobicContact CD1-CD 4.25Å; F474-K477 HydrophobicContact CD1-CG 4.23Å; F474-K477 HydrophobicContact CD2-CD 4.37Å; F474-K477 VanDerWaalsContact CD2-CE 3.5Å; F474-K477 HydrophobicContact CG-CD 4.04Å; F474-K477 HydrophobicContact CG-CG 3.87Å; F474-L495 HydrophobicContact CE1-CD2 4.01Å; F474-L495 HydrophobicContact CE1-CG 4.17Å; F474-M499 HydrophobicContact CE1-CG 3.86Å; F474-M499 HydrophobicContact CE1-SD 4.44Å; F474-M499 HydrophobicContact CE2-CE 4.34Å; F474-M499 HydrophobicContact CZ-CE 3.95Å; F474-M499 HydrophobicContact CZ-CG 4.14Å; F474-M499 HydrophobicContact CZ-SD 4.16Å; F474-I531 HydrophobicContact CD1-CG1 4.5Å; F474-I531 HydrophobicContact CD1-CG2 4.17Å; F474-I531 HydrophobicContact CD2-CG2 4.02Å; F474-I531 HydrophobicContact CE1-CD1 4.48Å; F474-I531 HydrophobicContact CE1-CG1 4.07Å; F474-I531 HydrophobicContact CE1-CG2 4.38Å; F474-I531 HydrophobicContact CE2-CG2 4.24Å; F474-I531 HydrophobicContact CG-CG2 3.98Å; F474-I531 HydrophobicContact CZ-CD1 4.17Å; F474-I531 HydrophobicContact CZ-CG1 4.26Å; F474-I531 HydrophobicContact CZ-CG2 4.42Å
475M91.9Very high93.8Very high45 Ų4545.7 Ų45.722%0.22226%0.262CS..SBendtrans-61.2-40.2-179.9-80.5177.8-70.700114.2L530 I531 T533M475-L530 WeakPolarHBondContact CE-O 3.48Å; M475-I531 VanDerWaalsContact CG-O 3.29Å; M475-I531 WeakPolarHBondContact CG-O 3.41Å; M475-I531 PolarHBondContact N-O 3.2Å; M475-T533 WeakPolarHBondContact CE-OG1 3.12Å; M475-T533 PolarHBondContact SD-N 3.41Å; M475-T533 VanDerWaalsContact SD-N 3.43Å; M475-T533 PolarHBondContact SD-OG1 3.19Å
476Y93.6Very high93.8Very high14 Ų1444 Ų446%0.05526%0.255CS..SBendtrans-123.6-40.5-164.1-50.4-62.4000114.7F474 P486 V488 H491 P493 D496 H630F474-Y476 PolarHBondContact O-N 3.44Å; Y476-P486 WeakPolarHBondContact O-CG 3.49Å; Y476-V488 HydrophobicContact CD1-CB 4.34Å; Y476-V488 HydrophobicContact CD1-CG1 3.22Å; Y476-V488 HydrophobicContact CE1-CB 4.49Å; Y476-V488 HydrophobicContact CE1-CG1 3.61Å; Y476-V488 HydrophobicContact CG-CG1 3.95Å; Y476-H491 AromaticContact CE2-NE2 3.94Å; Y476-P493 HydrophobicContact CD2-CB 3.54Å; Y476-P493 HydrophobicContact CD2-CG 3.6Å; Y476-P493 HydrophobicContact CE2-CB 4.08Å; Y476-P493 HydrophobicContact CE2-CG 4.07Å; Y476-P493 HydrophobicContact CG-CB 4.32Å; Y476-P493 HydrophobicContact CG-CG 4Å; Y476-D496 PolarHBondContact N-OD1 3.14Å; Y476-H630 AromaticContact CE1-CE1 3.82Å; Y476-H630 AromaticContact CE1-ND1 3.56Å; Y476-H630 AromaticContact CZ-ND1 3.68Å; Y476-H630 PolarHBondContact OH-ND1 3.28Å
477K93.9Very high93.8Very high14 Ų1448.1 Ų48.16%0.06128%0.278CS..SBendtrans-66.4152.2177.268161.6-154.5650111.6E457 F474 D496 M499E457-K477 IonicContact OE2-NZ 3.73Å; F474-K477 HydrophobicContact CB-CD 4.25Å; F474-K477 HydrophobicContact CB-CG 3.53Å; F474-K477 HydrophobicContact CD1-CD 4.25Å; F474-K477 HydrophobicContact CD1-CG 4.23Å; F474-K477 HydrophobicContact CD2-CD 4.37Å; F474-K477 VanDerWaalsContact CD2-CE 3.5Å; F474-K477 HydrophobicContact CG-CD 4.04Å; F474-K477 HydrophobicContact CG-CG 3.87Å; K477-D496 HydrophobicContact CB-CB 4.09Å; K477-D496 PolarHBondContact N-OD1 2.89Å; K477-M499 HydrophobicContact CD-CB 4.03Å
478P93Very high93.8Very high10 Ų1041.8 Ų41.87%0.06525%0.245CC..SBendtrans-54.6142.2171.6-26.937.2000112.7P202 W571P202-P478 HydrophobicContact CG-CG 4.46Å; P478-W571 HydrophobicContact CB-CH2 4.37Å; P478-W571 HydrophobicContact CB-CZ2 3.9Å; P478-W571 HydrophobicContact CG-CH2 4.02Å; P478-W571 HydrophobicContact CG-CZ2 3.66Å
479G90.5Very high93.5Very high14 Ų1438.1 Ų38.114%0.14422%0.222CC..  trans-165-74.8178.600000110.5V481 Y555G479-V481 PolarHBondContact O-N 3.39Å; G479-Y555 WeakPolarHBondContact O-CE1 3.38Å; G479-Y555 PolarHBondContact O-OH 2.96Å; G479-Y555 VanDerWaalsContact O-OH 3.09Å
480N92.3Very high93.3Very high62 Ų6235.9 Ų35.933%0.33221%0.214SC..  trans-62.5121.4174.6-169.8-41000110.7E473 S482 A483E473-N480 WeakPolarHBondContact OE1-CB 3.22Å; E473-N480 PolarHBondContact OE1-ND2 3.12Å; N480-S482 PolarHBondContact O-N 3.22Å; N480-S482 PolarHBondContact OD1-N 2.86Å; N480-A483 HydrophobicContact CB-CB 3.92Å; N480-A483 PolarHBondContact O-N 3.44Å
481V94.5Very high93.2Very high25 Ų2532.9 Ų32.915%0.15220%0.195CC..THydrogen-bonded Turntrans-68.5-22.8-174.7-66.90000113.9G479 Y555 R569 W570 W571 R573G479-V481 PolarHBondContact O-N 3.39Å; V481-Y555 HydrophobicContact CG1-CE1 4.3Å; V481-R569 HydrophobicContact CG2-CG 4.42Å; V481-R569 WeakPolarHBondContact O-CB 3.45Å; V481-W570 PolarHBondContact O-N 2.9Å; V481-W571 HydrophobicContact CB-CB 4.33Å; V481-W571 WeakPolarHBondContact CB-O 3.47Å; V481-W571 HydrophobicContact CG1-CB 4.31Å; V481-W571 PolarHBondContact O-N 2.86Å; V481-R573 HydrophobicContact CG1-CG 4.01Å
482S93.1Very high93.1Very high64 Ų6430.3 Ų30.345%0.44818%0.183SC..THydrogen-bonded Turntrans-91-13.3179.1-57.10000112.6N480N480-S482 PolarHBondContact O-N 3.22Å; N480-S482 PolarHBondContact OD1-N 2.86Å
483A91.4Very high93.1Very high47 Ų4730.1 Ų30.139%0.38818%0.182SC..SBendtrans-80.7133.618000000111.4N480N480-A483 HydrophobicContact CB-CB 3.92Å; N480-A483 PolarHBondContact O-N 3.44Å
484S92Very high93.1Very high62 Ų6225.8 Ų25.843%0.43416%0.162SC..PPolyproline II helixtrans-67.3143.917060.50000110.4W570S484-W570 VanDerWaalsContact CB-CE2 3.43Å
485P93.8Very high93.2Very high5 Ų525 Ų253%0.03216%0.158CC..PPolyproline II helixtrans-56.4141.1171.9-20.330.8000111.7P202 P204 F557 W571P202-P485 HydrophobicContact CB-CB 4.39Å; P202-P485 HydrophobicContact CG-CB 4.11Å; P202-P485 HydrophobicContact CG-CG 4.34Å; P202-P485 WeakPolarHBondContact O-CB 3.42Å; P204-P485 WeakPolarHBondContact CD-O 3.47Å; P204-P485 WeakPolarHBondContact CG-O 3.5Å; P485-F557 HydrophobicContact CG-CE1 4.17Å; P485-W571 HydrophobicContact CG-CZ2 3.99Å
486P93.5Very high93.3Very high41 Ų4123 Ų2327%0.26615%0.149SC..PPolyproline II helixtrans-84.7165.6-174.333.2-35000113.2I201 N262 Y476 V488I201-P486 HydrophobicContact CG2-CG 4.29Å; N262-P486 PolarHBondContact ND2-O 2.96Å; Y476-P486 WeakPolarHBondContact O-CG 3.49Å; P486-V488 HydrophobicContact CB-CG1 4Å; P486-V488 HydrophobicContact CG-CG1 4.05Å
487V93Very high93.4Very high96 Ų9622.7 Ų22.758%0.58215%0.147SC*.  trans-109.1110.5166.4-178.70000108T203T203-V487 HydrophobicContact CG2-CG2 4.42Å
488V91.9Very high93.4Very high1 Ų123 Ų231%0.00615%0.149CC..  trans-120-14.8-173-56.10000113.1I201 N262 Y476 P486 H491 P493I201-V488 HydrophobicContact CG2-CG2 4.36Å; N262-V488 HydrophobicContact CB-CG2 3.5Å; N262-V488 VanDerWaalsContact CG-CG2 3.5Å; N262-V488 PolarHBondContact OD1-N 2.96Å; Y476-V488 HydrophobicContact CD1-CB 4.34Å; Y476-V488 HydrophobicContact CD1-CG1 3.22Å; Y476-V488 HydrophobicContact CE1-CB 4.49Å; Y476-V488 HydrophobicContact CE1-CG1 3.61Å; Y476-V488 HydrophobicContact CG-CG1 3.95Å; P486-V488 HydrophobicContact CB-CG1 4Å; P486-V488 HydrophobicContact CG-CG1 4.05Å; V488-H491 VanDerWaalsContact O-CB 3.25Å; V488-H491 WeakPolarHBondContact O-CB 3.4Å; V488-H491 PolarHBondContact O-N 3.23Å; V488-P493 HydrophobicContact CG2-CG 4.22Å
489T89.3Confident93.6Very high14 Ų1422.5 Ų22.59%0.08615%0.146CC..THydrogen-bonded Turntrans-49.7131.8176-620000110.5I258 N262 W634I258-T489 HydrophobicContact CG2-CG2 4.45Å; N262-T489 WeakPolarHBondContact CA-OG1 3.26Å; N262-T489 PolarHBondContact OD1-N 3.13Å; N262-T489 VanDerWaalsContact OD1-N 3.12Å; N262-T489 PolarHBondContact OD1-OG1 3.11Å; T489-W634 PolarHBondContact O-NE1 2.89Å
490P93.4Very high93.8Very high3 Ų322.5 Ų22.52%0.01914%0.142CC..THydrogen-bonded Turncis-102.718.511.140.7-35.9000115V21 N264 L268 I633 L637V21-P490 HydrophobicContact CB-CG 4.44Å; V21-P490 HydrophobicContact CG1-CB 3.78Å; V21-P490 HydrophobicContact CG1-CG 3.65Å; V21-P490 WeakPolarHBondContact CG1-O 3.33Å; V21-P490 HydrophobicContact CG2-CG 3.86Å; N264-P490 CarbonylContact C-O 3.38Å; N264-P490 VanDerWaalsContact O-CA 3.28Å; N264-P490 WeakPolarHBondContact O-CA 3.32Å; N264-P490 WeakPolarHBondContact O-CB 3.42Å; L268-P490 HydrophobicContact CD1-CB 3.67Å; L268-P490 HydrophobicContact CD1-CG 4.34Å; P490-I633 HydrophobicContact CG-CG2 3.8Å; P490-L637 HydrophobicContact CG-CD1 4.29Å
491H95.2Very high93.8Very high5 Ų523.6 Ų23.62%0.02314%0.144CC..  trans-63.4145173.2178.747.1000111.2S25 Q29 N264 Y476 V488 P493 A629 H630 I633S25-H491 PolarHBondContact OG-CE1 3.42Å; S25-H491 PolarHBondContact OG-ND1 3.26Å; Q29-H491 PolarHBondContact NE2-CE1 3.33Å; N264-H491 WeakPolarHBondContact CB-O 3.42Å; Y476-H491 AromaticContact CE2-NE2 3.94Å; V488-H491 VanDerWaalsContact O-CB 3.25Å; V488-H491 WeakPolarHBondContact O-CB 3.4Å; V488-H491 PolarHBondContact O-N 3.23Å; H491-P493 WeakPolarHBondContact O-CD 3.23Å; H491-A629 WeakPolarHBondContact CE1-CB 3.43Å; H491-A629 WeakPolarHBondContact ND1-CB 3.42Å; H491-H630 HydrophobicContact CB-CB 3.85Å; H491-I633 HydrophobicContact CB-CD1 3.93Å
492Q94.1Very high93.8Very high0 Ų022.5 Ų22.50%014%0.137CC..  trans-108.998171.3178.647.915.100111.3S25 Q29 W126 N264 R494 W497S25-Q492 PolarHBondContact OG-N 2.91Å; Q29-Q492 PolarHBondContact NE2-O 3.45Å; W126-Q492 HydrophobicContact CZ2-CG 4.24Å; N264-Q492 HydrophobicContact CB-CB 3.57Å; N264-Q492 HydrophobicContact CB-CG 4.16Å; N264-Q492 PolarHBondContact ND2-OE1 3.44Å; N264-Q492 PolarHBondContact OD1-OE1 3.09Å; Q492-R494 HydrophobicContact CG-CG 3.95Å; Q492-R494 PolarHBondContact O-N 2.89Å; Q492-W497 VanDerWaalsContact OE1-NE1 3.14Å
493P95.3Very high93.9Very high1 Ų119.5 Ų19.51%0.00612%0.116CC..  trans-73.693.8174.1-12.628000111I201 Y476 V488 H491 L495 D496 W497I201-P493 HydrophobicContact CD1-CB 4.23Å; I201-P493 HydrophobicContact CD1-CG 3.8Å; Y476-P493 HydrophobicContact CD2-CB 3.54Å; Y476-P493 HydrophobicContact CD2-CG 3.6Å; Y476-P493 HydrophobicContact CE2-CB 4.08Å; Y476-P493 HydrophobicContact CE2-CG 4.07Å; Y476-P493 HydrophobicContact CG-CB 4.32Å; Y476-P493 HydrophobicContact CG-CG 4Å; V488-P493 HydrophobicContact CG2-CG 4.22Å; H491-P493 WeakPolarHBondContact O-CD 3.23Å; P493-L495 PolarHBondContact O-N 3.3Å; P493-D496 HydrophobicContact CB-CB 4Å; P493-D496 WeakPolarHBondContact CB-OD2 3.46Å; P493-W497 VanDerWaalsContact O-CD1 3.23Å; P493-W497 PolarHBondContact O-N 2.99Å; P493-W497 VanDerWaalsContact O-N 3.08Å
494R95.4Very high93.9Very high0 Ų020.5 Ų20.50%012%0.115CC..Hα-helixtrans-68.9-34.8-169.4-67.2175.6176.4-67.9-2.4112.2L33 F121 L122 F124 D127 Q492 Q498L33-R494 HydrophobicContact CD1-CB 3.95Å; F121-R494 HydrophobicContact CB-CB 4.44Å; F121-R494 HydrophobicContact CD1-CB 4.21Å; F121-R494 WeakPolarHBondContact O-CD 3.32Å; F121-R494 PolarHBondContact O-NH1 3.45Å; L122-R494 VanDerWaalsContact CD2-CZ 3.44Å; F124-R494 HydrophobicContact CE2-CG 4.45Å; D127-R494 IonicContact OD1-CZ 3.83Å; D127-R494 IonicContact OD1-NH1 3.78Å; D127-R494 PolarHBondContact OD1-NH1 3.32Å; D127-R494 IonicContact OD1-NH2 2.85Å; D127-R494 PolarHBondContact OD1-NH2 3.35Å; D127-R494 IonicContact OD2-CZ 2.86Å; D127-R494 IonicContact OD2-NH1 3.29Å; D127-R494 PolarHBondContact OD2-NH1 3.41Å; D127-R494 IonicContact OD2-NH2 3.84Å; Q492-R494 HydrophobicContact CG-CG 3.95Å; Q492-R494 PolarHBondContact O-N 2.89Å; R494-Q498 WeakPolarHBondContact O-CG 3.19Å; R494-Q498 PolarHBondContact O-N 3.38Å; R494-Q498 VanDerWaalsContact O-N 3.08Å
495L95.8Very high93.8Very high1 Ų118.1 Ų18.11%0.00510%0.1CC..Hα-helixtrans-68.4-50.1176.9-178.359.6000111.6L39 F121 F474 P493 W497 Q498 M499 W512 L516 L530 I531L39-L495 HydrophobicContact CD1-CD1 3.72Å; F121-L495 HydrophobicContact CE1-CD1 4.24Å; F121-L495 HydrophobicContact CZ-CD1 4.45Å; F474-L495 HydrophobicContact CE1-CD2 4.01Å; F474-L495 HydrophobicContact CE1-CG 4.17Å; P493-L495 PolarHBondContact O-N 3.3Å; L495-W497 VanDerWaalsContact C-N 3.28Å; L495-W497 PolarHBondContact O-N 2.76Å; L495-Q498 PolarHBondContact O-N 3.14Å; L495-Q498 VanDerWaalsContact O-N 3.11Å; L495-M499 WeakPolarHBondContact O-CG 3.39Å; L495-M499 PolarHBondContact O-N 3.22Å; L495-W512 HydrophobicContact CD1-CE3 4.22Å; L495-W512 HydrophobicContact CD1-CH2 4.32Å; L495-W512 HydrophobicContact CD1-CZ3 3.61Å; L495-L516 HydrophobicContact CD1-CD2 4.44Å; L495-L516 HydrophobicContact CD2-CD1 4.45Å; L495-L530 HydrophobicContact CD2-CB 3.84Å; L495-L530 HydrophobicContact CD2-CD1 4.29Å; L495-I531 HydrophobicContact CD2-CG1 4.02Å
496D95.3Very high93.6Very high4 Ų421 Ų212%0.02112%0.118CC..Hα-helixtrans-58.6-40.3178-58.2-113.8000111.9I201 Y476 K477 P493 M499 W500I201-D496 HydrophobicContact CD1-CB 4.18Å; Y476-D496 PolarHBondContact N-OD1 3.14Å; K477-D496 HydrophobicContact CB-CB 4.09Å; K477-D496 PolarHBondContact N-OD1 2.89Å; P493-D496 HydrophobicContact CB-CB 4Å; P493-D496 WeakPolarHBondContact CB-OD2 3.46Å; D496-M499 WeakPolarHBondContact O-CB 3.31Å; D496-M499 PolarHBondContact O-N 3.34Å; D496-W500 PolarHBondContact O-N 3.43Å
497W94.3Very high93.3Very high7 Ų720.6 Ų20.63%0.02711%0.113CC..Hα-helixtrans-63.8-43.7174.1-88.381.1000112.7F124 W126 C200 N262 Y263 Q492 P493 L495 M499 W500 F501F124-W497 HydrophobicContact CZ-CB 4.23Å; W126-W497 AromaticContact CH2-CD2 3.76Å; W126-W497 HydrophobicContact CH2-CD2 3.76Å; W126-W497 AromaticContact CH2-CE3 3.47Å; W126-W497 HydrophobicContact CH2-CE3 3.47Å; W126-W497 VanDerWaalsContact CH2-CE3 3.47Å; W126-W497 AromaticContact CH2-CH2 3.8Å; W126-W497 HydrophobicContact CH2-CH2 3.8Å; W126-W497 HydrophobicContact CH2-CZ2 4.1Å; W126-W497 AromaticContact CH2-CZ3 3.49Å; W126-W497 HydrophobicContact CH2-CZ3 3.49Å; W126-W497 VanDerWaalsContact CH2-CZ3 3.49Å; W126-W497 HydrophobicContact CZ2-CD2 4.4Å; W126-W497 HydrophobicContact CZ2-CE3 4.46Å; W126-W497 HydrophobicContact CZ3-CE3 4.12Å; W126-W497 AromaticContact CZ3-CH2 3.64Å; W126-W497 HydrophobicContact CZ3-CH2 3.64Å; W126-W497 HydrophobicContact CZ3-CZ2 4.17Å; W126-W497 AromaticContact CZ3-CZ3 3.63Å; W126-W497 HydrophobicContact CZ3-CZ3 3.63Å; C200-W497 HydrophobicContact CB-CD2 3.68Å; C200-W497 HydrophobicContact CB-CE3 3.56Å; C200-W497 HydrophobicContact CB-CG 4.45Å; C200-W497 HydrophobicContact CB-CH2 3.79Å; C200-W497 HydrophobicContact CB-CZ2 3.85Å; C200-W497 HydrophobicContact CB-CZ3 3.63Å; C200-W497 VanDerWaalsContact SG-CA 3.53Å; C200-W497 VanDerWaalsContact SG-CE3 3.57Å; N262-W497 WeakPolarHBondContact O-CZ2 3.46Å; Y263-W497 AromaticContact CD1-CH2 3.91Å; Y263-W497 HydrophobicContact CD1-CH2 3.91Å; Y263-W497 HydrophobicContact CD1-CZ2 4.21Å; Y263-W497 HydrophobicContact CE1-CH2 4.14Å; Q492-W497 VanDerWaalsContact OE1-NE1 3.14Å; P493-W497 VanDerWaalsContact O-CD1 3.23Å; P493-W497 PolarHBondContact O-N 2.99Å; P493-W497 VanDerWaalsContact O-N 3.08Å; L495-W497 VanDerWaalsContact C-N 3.28Å; L495-W497 PolarHBondContact O-N 2.76Å; W497-M499 VanDerWaalsContact C-N 3.33Å; W497-M499 PolarHBondContact O-N 2.96Å; W497-W500 WeakPolarHBondContact O-CB 3.35Å; W497-W500 PolarHBondContact O-N 3.26Å; W497-F501 AromaticContact CE3-CE2 3.98Å; W497-F501 HydrophobicContact CE3-CE2 3.98Å; W497-F501 WeakPolarHBondContact O-CD2 3.38Å; W497-F501 PolarHBondContact O-N 3.23Å; W497-F501 VanDerWaalsContact O-N 3.16Å
498Q95.2Very high92.9Very high21 Ų2119.5 Ų19.510%0.09811%0.107CC..Hα-helixtrans-66.2-35.6175.5-76.9-61-2500112.1V120 F121 F124 R494 L495 W500 F501 A502 W512V120-Q498 PolarHBondContact O-NE2 3.39Å; F121-Q498 HydrophobicContact CD1-CB 4.24Å; F121-Q498 HydrophobicContact CD1-CG 3.52Å; F121-Q498 HydrophobicContact CE1-CB 3.81Å; F121-Q498 HydrophobicContact CE1-CG 3.57Å; F124-Q498 HydrophobicContact CZ-CG 4.04Å; R494-Q498 WeakPolarHBondContact O-CG 3.19Å; R494-Q498 PolarHBondContact O-N 3.38Å; R494-Q498 VanDerWaalsContact O-N 3.08Å; L495-Q498 PolarHBondContact O-N 3.14Å; L495-Q498 VanDerWaalsContact O-N 3.11Å; Q498-W500 VanDerWaalsContact C-N 3.31Å; Q498-W500 PolarHBondContact O-N 3.12Å; Q498-F501 PolarHBondContact O-N 2.99Å; Q498-A502 WeakPolarHBondContact O-CB 3.39Å; Q498-A502 PolarHBondContact O-N 2.85Å; Q498-W512 VanDerWaalsContact C-CZ2 3.45Å; Q498-W512 HydrophobicContact CB-CH2 3.89Å; Q498-W512 HydrophobicContact CB-CZ2 3.49Å; Q498-W512 VanDerWaalsContact CB-CZ2 3.49Å; Q498-W512 VanDerWaalsContact O-CZ2 3.31Å; Q498-W512 WeakPolarHBondContact O-CZ2 3.48Å
499M96.1Very high92.8Very high0 Ų026.1 Ų26.10%014%0.138CC..Hα-helixtrans-59.3-41.1172.6-74.7-67.6-63.600112.1V458 I460 F474 K477 L495 D496 W497 A502 A503 W512 F513 L516V458-M499 HydrophobicContact CB-CE 3.92Å; V458-M499 HydrophobicContact CG1-CE 4.03Å; I460-M499 HydrophobicContact CD1-CE 4.39Å; F474-M499 HydrophobicContact CE1-CG 3.86Å; F474-M499 HydrophobicContact CE1-SD 4.44Å; F474-M499 HydrophobicContact CE2-CE 4.34Å; F474-M499 HydrophobicContact CZ-CE 3.95Å; F474-M499 HydrophobicContact CZ-CG 4.14Å; F474-M499 HydrophobicContact CZ-SD 4.16Å; K477-M499 HydrophobicContact CD-CB 4.03Å; L495-M499 WeakPolarHBondContact O-CG 3.39Å; L495-M499 PolarHBondContact O-N 3.22Å; D496-M499 WeakPolarHBondContact O-CB 3.31Å; D496-M499 PolarHBondContact O-N 3.34Å; W497-M499 VanDerWaalsContact C-N 3.33Å; W497-M499 PolarHBondContact O-N 2.96Å; M499-A502 PolarHBondContact O-N 3.31Å; M499-A503 PolarHBondContact O-N 2.91Å; M499-W512 HydrophobicContact CG-CH2 3.99Å; M499-W512 HydrophobicContact SD-CH2 3.65Å; M499-W512 HydrophobicContact SD-CZ3 4.05Å; M499-F513 HydrophobicContact CE-CE2 3.9Å; M499-F513 HydrophobicContact SD-CD2 3.84Å; M499-F513 HydrophobicContact SD-CE2 3.69Å; M499-L516 HydrophobicContact SD-CD2 4.14Å
500W94.6Very high92.9Very high14 Ų1426 Ų265%0.05314%0.137CC..Hα-helixtrans-61.2-44.4173.5179.582.6000112.1T198 C200 T450 R455 D496 W497 Q498 A503 L504T198-W500 WeakPolarHBondContact O-CZ2 3.39Å; T198-W500 PolarHBondContact O-NE1 3.43Å; C200-W500 HydrophobicContact CB-CB 4.43Å; C200-W500 HydrophobicContact CB-CD2 4.08Å; C200-W500 HydrophobicContact CB-CE3 4.47Å; C200-W500 HydrophobicContact CB-CG 4.06Å; C200-W500 WeakPolarHBondContact SG-CB 3.4Å; T450-W500 HydrophobicContact CG2-CH2 4.47Å; T450-W500 WeakPolarHBondContact OG1-CZ2 3.39Å; R455-W500 VanDerWaalsContact NH2-CD1 3.34Å; D496-W500 PolarHBondContact O-N 3.43Å; W497-W500 WeakPolarHBondContact O-CB 3.35Å; W497-W500 PolarHBondContact O-N 3.26Å; Q498-W500 VanDerWaalsContact C-N 3.31Å; Q498-W500 PolarHBondContact O-N 3.12Å; W500-A503 PolarHBondContact O-N 3.12Å; W500-L504 HydrophobicContact CE3-CD1 4.25Å; W500-L504 HydrophobicContact CH2-CD1 4.03Å; W500-L504 HydrophobicContact CZ2-CD1 4.43Å; W500-L504 HydrophobicContact CZ3-CD1 3.93Å
501F92.9Very high92.9Very high85 Ų8528.1 Ų28.137%0.37315%0.151SC..Hα-helixtrans-64.1-40.9174.8-74.7-71000112.4F124 W497 Q498 A503 L504F124-F501 HydrophobicContact CD1-CE2 4.21Å; F124-F501 HydrophobicContact CE1-CD2 4.15Å; F124-F501 AromaticContact CE1-CE2 3.64Å; F124-F501 HydrophobicContact CE1-CE2 3.64Å; W497-F501 AromaticContact CE3-CE2 3.98Å; W497-F501 HydrophobicContact CE3-CE2 3.98Å; W497-F501 WeakPolarHBondContact O-CD2 3.38Å; W497-F501 PolarHBondContact O-N 3.23Å; W497-F501 VanDerWaalsContact O-N 3.16Å; Q498-F501 PolarHBondContact O-N 2.99Å; F501-A503 VanDerWaalsContact C-N 3.27Å; F501-A503 PolarHBondContact O-N 2.86Å; F501-L504 HydrophobicContact CD1-CD1 4.41Å; F501-L504 WeakPolarHBondContact O-CB 3.49Å; F501-L504 PolarHBondContact O-N 2.65Å; F501-L504 VanDerWaalsContact O-N 3.16Å
502A94.4Very high92.8Very high1 Ų128.2 Ų28.21%0.00815%0.151CC..Hα-helixtrans-61.5-35.9178.600000112.2Q498 M499 L504 G505 S510 W512 F579Q498-A502 WeakPolarHBondContact O-CB 3.39Å; Q498-A502 PolarHBondContact O-N 2.85Å; M499-A502 PolarHBondContact O-N 3.31Å; A502-L504 PolarHBondContact O-N 2.82Å; A502-G505 PolarHBondContact O-N 3.39Å; A502-S510 WeakPolarHBondContact CB-OG 3.19Å; A502-W512 HydrophobicContact CB-CH2 4.32Å; A502-W512 HydrophobicContact CB-CZ2 3.81Å; A502-F579 HydrophobicContact CB-CZ 4.39Å
503A94.6Very high92.9Very high1 Ų128.3 Ų28.31%0.00815%0.152CC..Hα-helixtrans-66.1-19.9178.700000113.9P456 V458 M499 W500 F501 G505 R552P456-A503 HydrophobicContact CB-CB 4.19Å; P456-A503 WeakPolarHBondContact CB-O 3.03Å; P456-A503 HydrophobicContact CG-CB 4.42Å; P456-A503 WeakPolarHBondContact O-CB 3.39Å; V458-A503 HydrophobicContact CG2-CB 3.87Å; M499-A503 PolarHBondContact O-N 2.91Å; W500-A503 PolarHBondContact O-N 3.12Å; F501-A503 VanDerWaalsContact C-N 3.27Å; F501-A503 PolarHBondContact O-N 2.86Å; A503-G505 VanDerWaalsContact C-N 3.34Å; A503-R552 WeakPolarHBondContact O-CD 3.24Å
504L91.8Very high93Very high68 Ų6828.2 Ų28.236%0.35615%0.151SC..THydrogen-bonded Turntrans-79.5-14.1-178.6-61.4175.8000114T450 P456 W500 F501 A502T450-L504 HydrophobicContact CG2-CD1 3.85Å; T450-L504 HydrophobicContact CG2-CD2 4.06Å; P456-L504 HydrophobicContact CG-CD2 3.79Å; W500-L504 HydrophobicContact CE3-CD1 4.25Å; W500-L504 HydrophobicContact CH2-CD1 4.03Å; W500-L504 HydrophobicContact CZ2-CD1 4.43Å; W500-L504 HydrophobicContact CZ3-CD1 3.93Å; F501-L504 HydrophobicContact CD1-CD1 4.41Å; F501-L504 WeakPolarHBondContact O-CB 3.49Å; F501-L504 PolarHBondContact O-N 2.65Å; F501-L504 VanDerWaalsContact O-N 3.16Å; A502-L504 PolarHBondContact O-N 2.82Å
505G89.3Confident92.9Very high12 Ų1228.4 Ų28.412%0.12415%0.152CC..SBendtrans-137.7-175.7-175.800000112.5A502 A503 F579A502-G505 PolarHBondContact O-N 3.39Å; A503-G505 VanDerWaalsContact C-N 3.34Å; G505-F579 WeakPolarHBondContact O-CE2 3.14Å
506P89.2Confident93Very high65 Ų6528.3 Ų28.342%0.42215%0.152SC..  trans-73.4154.617131-34.6000111.2T508 Q509P506-T508 PolarHBondContact O-N 3.27Å; P506-Q509 HydrophobicContact CG-CG 4.09Å; P506-Q509 PolarHBondContact O-N 3.03Å; P506-Q509 VanDerWaalsContact O-N 3.08Å
507Q87.3Confident93.1Very high34 Ų3428.1 Ų28.116%0.15915%0.151CC..G310 helixtrans-51.3-29.9178.862169.14.500114.6Q509 S510 F579 Y580Q507-Q509 PolarHBondContact O-N 3.22Å; Q507-S510 PolarHBondContact O-N 3.2Å; Q507-F579 HydrophobicContact CB-CD1 4.44Å; Q507-F579 HydrophobicContact CB-CE1 3.96Å; Q507-F579 HydrophobicContact CB-CE2 4.35Å; Q507-F579 HydrophobicContact CB-CZ 3.91Å; Q507-F579 PolarHBondContact OE1-O 3.5Å; Q507-Y580 HydrophobicContact CB-CD2 4.39Å; Q507-Y580 VanDerWaalsContact OE1-CE2 3.25Å
508T85.3Confident93.1Very high73 Ų7330.4 Ų30.445%0.44816%0.16SC..G310 helixtrans-67.8-19.9-176.152.10000113.1P506 S510 M593P506-T508 PolarHBondContact O-N 3.27Å; T508-S510 VanDerWaalsContact C-N 3.29Å; T508-M593 HydrophobicContact CG2-CE 4.49Å
509Q89.7Confident93.1Very high140 Ų14030.7 Ų30.765%0.65416%0.16SC*.G310 helixtrans-79.6-12.4174.9-67.3179.75.600112.9P506 Q507 P511P506-Q509 HydrophobicContact CG-CG 4.09Å; P506-Q509 PolarHBondContact O-N 3.03Å; P506-Q509 VanDerWaalsContact O-N 3.08Å; Q507-Q509 PolarHBondContact O-N 3.22Å; Q509-P511 VanDerWaalsContact C-CD 3.46Å; Q509-P511 WeakPolarHBondContact O-CD 3.37Å
510S92.4Very high93.2Very high11 Ų1130.7 Ų30.78%0.07716%0.16CC..  trans-121.173.9-177.9-64.10000112A502 Q507 T508 W512 F513A502-S510 WeakPolarHBondContact CB-OG 3.19Å; Q507-S510 PolarHBondContact O-N 3.2Å; T508-S510 VanDerWaalsContact C-N 3.29Å; S510-W512 PolarHBondContact O-N 3.25Å; S510-W512 VanDerWaalsContact O-N 3.16Å; S510-F513 VanDerWaalsContact O-CB 3.25Å; S510-F513 WeakPolarHBondContact O-CB 3.49Å; S510-F513 PolarHBondContact O-N 3.3Å
511P91.9Very high93.3Very high48 Ų4830.2 Ų30.231%0.31216%0.159SC..Hα-helixtrans-53-38.5-179.4-29.135.9000114.3Q509 F513 T514 F597 L599Q509-P511 VanDerWaalsContact C-CD 3.46Å; Q509-P511 WeakPolarHBondContact O-CD 3.37Å; P511-F513 PolarHBondContact O-N 3.08Å; P511-F513 VanDerWaalsContact O-N 3.14Å; P511-T514 WeakPolarHBondContact O-CB 3.25Å; P511-T514 PolarHBondContact O-N 3.33Å; P511-F597 HydrophobicContact CB-CB 4.03Å; P511-F597 HydrophobicContact CB-CD1 3.87Å; P511-F597 HydrophobicContact CB-CD2 3.78Å; P511-F597 HydrophobicContact CB-CE1 4.23Å; P511-F597 HydrophobicContact CB-CE2 4.1Å; P511-F597 HydrophobicContact CB-CG 3.65Å; P511-F597 HydrophobicContact CB-CZ 4.33Å; P511-F597 HydrophobicContact CG-CD1 3.82Å; P511-F597 HydrophobicContact CG-CD2 4.43Å; P511-F597 HydrophobicContact CG-CE1 3.85Å; P511-F597 HydrophobicContact CG-CE2 4.41Å; P511-F597 HydrophobicContact CG-CG 4.14Å; P511-F597 HydrophobicContact CG-CZ 4.15Å; P511-L599 WeakPolarHBondContact O-CD1 3.4Å
512W94.6Very high93.4Very high7 Ų729 Ų293%0.02715%0.154CC..Hα-helixtrans-59-25.917965.3-97.3000113L40 V120 F121 L495 Q498 M499 A502 S510 T514 S515 L516L40-W512 HydrophobicContact CD1-CB 3.73Å; L40-W512 HydrophobicContact CD2-CB 4.42Å; L40-W512 HydrophobicContact CG-CB 4.1Å; V120-W512 HydrophobicContact CG2-CG 4.35Å; F121-W512 HydrophobicContact CE1-CE3 4.5Å; F121-W512 HydrophobicContact CE2-CB 4.39Å; F121-W512 HydrophobicContact CZ-CB 4.29Å; F121-W512 HydrophobicContact CZ-CD2 4.04Å; F121-W512 AromaticContact CZ-CE3 3.96Å; F121-W512 HydrophobicContact CZ-CE3 3.96Å; F121-W512 HydrophobicContact CZ-CG 4.18Å; L495-W512 HydrophobicContact CD1-CE3 4.22Å; L495-W512 HydrophobicContact CD1-CH2 4.32Å; L495-W512 HydrophobicContact CD1-CZ3 3.61Å; Q498-W512 VanDerWaalsContact C-CZ2 3.45Å; Q498-W512 HydrophobicContact CB-CH2 3.89Å; Q498-W512 HydrophobicContact CB-CZ2 3.49Å; Q498-W512 VanDerWaalsContact CB-CZ2 3.49Å; Q498-W512 VanDerWaalsContact O-CZ2 3.31Å; Q498-W512 WeakPolarHBondContact O-CZ2 3.48Å; M499-W512 HydrophobicContact CG-CH2 3.99Å; M499-W512 HydrophobicContact SD-CH2 3.65Å; M499-W512 HydrophobicContact SD-CZ3 4.05Å; A502-W512 HydrophobicContact CB-CH2 4.32Å; A502-W512 HydrophobicContact CB-CZ2 3.81Å; S510-W512 PolarHBondContact O-N 3.25Å; S510-W512 VanDerWaalsContact O-N 3.16Å; W512-T514 VanDerWaalsContact C-N 3.34Å; W512-S515 WeakPolarHBondContact O-CB 3.35Å; W512-S515 PolarHBondContact O-N 2.94Å; W512-L516 HydrophobicContact CZ3-CD2 4.14Å; W512-L516 PolarHBondContact O-N 3.37Å
513F96.5Very high93.4Very high1 Ų130.2 Ų30.20%0.00417%0.167CC..Hα-helixtrans-66.9-36.2177-171.6-91.1000111.6V458 I460 M499 S510 P511 S515 L516 M517 A550 F579 Y580V458-F513 HydrophobicContact CG1-CE2 4.01Å; V458-F513 HydrophobicContact CG1-CZ 3.92Å; I460-F513 HydrophobicContact CD1-CE2 4.03Å; I460-F513 HydrophobicContact CD1-CZ 4.12Å; I460-F513 HydrophobicContact CG1-CE2 4.33Å; I460-F513 HydrophobicContact CG1-CZ 4.11Å; M499-F513 HydrophobicContact CE-CE2 3.9Å; M499-F513 HydrophobicContact SD-CD2 3.84Å; M499-F513 HydrophobicContact SD-CE2 3.69Å; S510-F513 VanDerWaalsContact O-CB 3.25Å; S510-F513 WeakPolarHBondContact O-CB 3.49Å; S510-F513 PolarHBondContact O-N 3.3Å; P511-F513 PolarHBondContact O-N 3.08Å; P511-F513 VanDerWaalsContact O-N 3.14Å; F513-S515 VanDerWaalsContact C-N 3.29Å; F513-S515 PolarHBondContact O-N 3.41Å; F513-L516 HydrophobicContact CD2-CD2 4.24Å; F513-L516 HydrophobicContact CE2-CD2 4.29Å; F513-L516 WeakPolarHBondContact O-CB 3.15Å; F513-L516 PolarHBondContact O-N 2.88Å; F513-M517 HydrophobicContact CD1-CG 4.03Å; F513-M517 HydrophobicContact CE1-CG 3.69Å; F513-M517 HydrophobicContact CE1-SD 3.86Å; F513-M517 HydrophobicContact CZ-CG 4.33Å; F513-M517 HydrophobicContact CZ-SD 3.96Å; F513-M517 WeakPolarHBondContact O-CG 3.24Å; F513-M517 PolarHBondContact O-N 3.33Å; F513-A550 HydrophobicContact CE1-CB 4.18Å; F513-A550 HydrophobicContact CZ-CB 3.79Å; F513-F579 AromaticContact CD1-CE1 3.97Å; F513-F579 HydrophobicContact CD1-CE1 3.97Å; F513-F579 HydrophobicContact CD2-CE1 4.38Å; F513-F579 HydrophobicContact CE1-CD1 4.03Å; F513-F579 AromaticContact CE1-CE1 3.83Å; F513-F579 HydrophobicContact CE1-CE1 3.83Å; F513-F579 HydrophobicContact CE2-CE1 4.24Å; F513-F579 HydrophobicContact CG-CE1 4.25Å; F513-F579 HydrophobicContact CZ-CD1 4.1Å; F513-F579 AromaticContact CZ-CE1 3.97Å; F513-F579 HydrophobicContact CZ-CE1 3.97Å; F513-Y580 AromaticContact CD1-CD2 3.71Å; F513-Y580 HydrophobicContact CD1-CD2 3.71Å; F513-Y580 HydrophobicContact CD1-CE2 4.2Å; F513-Y580 HydrophobicContact CD1-CG 4.41Å; F513-Y580 AromaticContact CE1-CD2 3.65Å; F513-Y580 HydrophobicContact CE1-CD2 3.65Å; F513-Y580 HydrophobicContact CE1-CE2 4.47Å; F513-Y580 AromaticContact CE1-CG 3.89Å; F513-Y580 HydrophobicContact CE1-CG 3.89Å
514T95.5Very high93.4Very high0 Ų032.9 Ų32.90%018%0.178CC..Hα-helixtrans-63.8-39.2173.5-62.40000110.7P511 W512 M517 Y518 L590 M593 L594 L599P511-T514 WeakPolarHBondContact O-CB 3.25Å; P511-T514 PolarHBondContact O-N 3.33Å; W512-T514 VanDerWaalsContact C-N 3.34Å; T514-M517 PolarHBondContact O-N 2.89Å; T514-Y518 WeakPolarHBondContact O-CB 3.37Å; T514-Y518 PolarHBondContact O-N 3.38Å; T514-L590 HydrophobicContact CG2-CD1 3.92Å; T514-M593 HydrophobicContact CG2-CB 3.76Å; T514-L594 HydrophobicContact CG2-CD2 3.83Å; T514-L594 HydrophobicContact CG2-CG 4.03Å; T514-L599 HydrophobicContact CG2-CD1 4.37Å
515S94.9Very high93.4Very high3 Ų335.7 Ų35.72%0.02118%0.184CC..Hα-helixtrans-62.9-42.9173.1-1650000111.4L39 W512 F513 M517 Y518 R519L39-S515 VanDerWaalsContact O-CB 3.28Å; L39-S515 WeakPolarHBondContact O-CB 3.4Å; L39-S515 PolarHBondContact O-OG 3.25Å; W512-S515 WeakPolarHBondContact O-CB 3.35Å; W512-S515 PolarHBondContact O-N 2.94Å; F513-S515 VanDerWaalsContact C-N 3.29Å; F513-S515 PolarHBondContact O-N 3.41Å; S515-M517 PolarHBondContact O-N 2.63Å; S515-Y518 PolarHBondContact O-N 3.17Å; S515-R519 WeakPolarHBondContact O-CB 3.11Å; S515-R519 VanDerWaalsContact O-CG 3.23Å; S515-R519 WeakPolarHBondContact O-CG 3.42Å; S515-R519 PolarHBondContact O-N 2.93Å
516L96.9Very high93.6Very high0 Ų037.7 Ų37.70%019%0.19CC..Hα-helixtrans-54.7-52.4175.1177.967000111.6L39 I460 L495 M499 W512 F513 Y518 R519 L520 V527 I531L39-L516 HydrophobicContact CD1-CD1 4.37Å; L39-L516 VanDerWaalsContact CD2-CA 3.46Å; L39-L516 HydrophobicContact CD2-CB 3.81Å; L39-L516 HydrophobicContact CD2-CD1 3.71Å; L39-L516 HydrophobicContact CD2-CG 4.4Å; I460-L516 HydrophobicContact CD1-CD2 3.79Å; I460-L516 HydrophobicContact CD1-CG 4.49Å; L495-L516 HydrophobicContact CD1-CD2 4.44Å; L495-L516 HydrophobicContact CD2-CD1 4.45Å; M499-L516 HydrophobicContact SD-CD2 4.14Å; W512-L516 HydrophobicContact CZ3-CD2 4.14Å; W512-L516 PolarHBondContact O-N 3.37Å; F513-L516 HydrophobicContact CD2-CD2 4.24Å; F513-L516 HydrophobicContact CE2-CD2 4.29Å; F513-L516 WeakPolarHBondContact O-CB 3.15Å; F513-L516 PolarHBondContact O-N 2.88Å; L516-Y518 VanDerWaalsContact C-N 3.32Å; L516-Y518 PolarHBondContact O-N 3.3Å; L516-R519 PolarHBondContact O-N 3.35Å; L516-L520 HydrophobicContact CD1-CD1 4.01Å; L516-L520 HydrophobicContact CD1-CG 4.17Å; L516-L520 HydrophobicContact CG-CD1 4.02Å; L516-L520 WeakPolarHBondContact O-CB 3.27Å; L516-L520 VanDerWaalsContact O-CG 3.27Å; L516-L520 WeakPolarHBondContact O-CG 3.46Å; L516-L520 PolarHBondContact O-N 2.94Å; L516-V527 HydrophobicContact CD1-CG1 3.7Å; L516-I531 HydrophobicContact CD1-CD1 4.26Å
517M96.7Very high93.9Very high0 Ų034.6 Ų34.60%017%0.17CC..Hα-helixtrans-58.4-44.1178.3-61.5-61.9-83.700111.7I460 F513 T514 S515 L521 L548 A550 Y580 V583I460-M517 HydrophobicContact CD1-SD 4.2Å; I460-M517 HydrophobicContact CG1-SD 4.43Å; I460-M517 HydrophobicContact CG2-CE 4.33Å; I460-M517 HydrophobicContact CG2-SD 3.97Å; F513-M517 HydrophobicContact CD1-CG 4.03Å; F513-M517 HydrophobicContact CE1-CG 3.69Å; F513-M517 HydrophobicContact CE1-SD 3.86Å; F513-M517 HydrophobicContact CZ-CG 4.33Å; F513-M517 HydrophobicContact CZ-SD 3.96Å; F513-M517 WeakPolarHBondContact O-CG 3.24Å; F513-M517 PolarHBondContact O-N 3.33Å; T514-M517 PolarHBondContact O-N 2.89Å; S515-M517 PolarHBondContact O-N 2.63Å; M517-L521 WeakPolarHBondContact O-CG 3.5Å; M517-L521 PolarHBondContact O-N 2.89Å; M517-L521 VanDerWaalsContact O-N 3.08Å; M517-L548 HydrophobicContact CE-CB 3.53Å; M517-L548 HydrophobicContact CE-CD1 4.31Å; M517-L548 WeakPolarHBondContact O-CD1 3.42Å; M517-L548 HydrophobicContact SD-CD1 4.29Å; M517-A550 HydrophobicContact CE-CB 4.48Å; M517-Y580 HydrophobicContact CB-CE1 4.43Å; M517-Y580 HydrophobicContact CE-CD1 3.8Å; M517-Y580 HydrophobicContact CE-CE1 4.37Å; M517-Y580 HydrophobicContact CE-CG 4.31Å; M517-Y580 HydrophobicContact CG-CD1 4.23Å; M517-Y580 HydrophobicContact CG-CE1 4.17Å; M517-Y580 HydrophobicContact CG-CG 4.46Å; M517-V583 HydrophobicContact CE-CG2 4.44Å
518Y95.8Very high94.2Very high55 Ų5533.8 Ų33.822%0.21617%0.167CC..Hα-helixtrans-63.3-44.9178.4-179.8-116.8000112.8T514 S515 L516 L521 Q522 L585 L590 L594T514-Y518 WeakPolarHBondContact O-CB 3.37Å; T514-Y518 PolarHBondContact O-N 3.38Å; S515-Y518 PolarHBondContact O-N 3.17Å; L516-Y518 VanDerWaalsContact C-N 3.32Å; L516-Y518 PolarHBondContact O-N 3.3Å; Y518-L521 PolarHBondContact O-N 3.31Å; Y518-Q522 WeakPolarHBondContact O-CG 3.28Å; Y518-Q522 PolarHBondContact O-N 2.95Å; Y518-Q522 VanDerWaalsContact O-N 3.1Å; Y518-Q522 PolarHBondContact OH-NE2 3.17Å; Y518-L585 HydrophobicContact CD2-CD2 4.01Å; Y518-L585 HydrophobicContact CE2-CD2 3.87Å; Y518-L590 HydrophobicContact CD2-CD2 4.12Å; Y518-L594 HydrophobicContact CD1-CD1 4.29Å; Y518-L594 HydrophobicContact CD1-CD2 4.34Å; Y518-L594 HydrophobicContact CD2-CD1 3.68Å; Y518-L594 HydrophobicContact CE2-CD1 3.96Å; Y518-L594 HydrophobicContact CG-CD1 3.84Å; Y518-L594 HydrophobicContact CG-CD2 4.21Å
519R95.6Very high94.6Very high27 Ų2732 Ų3210%0.10215%0.153CC..Hα-helixtrans-69.6-32.9-179.3-65.4-60.7-169.8173.915.7112.9N36 D37 G38 S515 L516 Q522 G523 K524 V527N36-R519 PolarHBondContact O-NH2 3.04Å; D37-R519 PolarHBondContact O-NE 3.14Å; D37-R519 IonicContact OD1-NH1 3.78Å; G38-R519 PolarHBondContact O-NE 2.75Å; G38-R519 VanDerWaalsContact O-NE 3.12Å; G38-R519 PolarHBondContact O-NH2 3.16Å; S515-R519 WeakPolarHBondContact O-CB 3.11Å; S515-R519 VanDerWaalsContact O-CG 3.23Å; S515-R519 WeakPolarHBondContact O-CG 3.42Å; S515-R519 PolarHBondContact O-N 2.93Å; L516-R519 PolarHBondContact O-N 3.35Å; R519-Q522 PolarHBondContact O-N 3.34Å; R519-G523 PolarHBondContact O-N 3.4Å; R519-K524 HydrophobicContact CB-CB 4.37Å; R519-K524 HydrophobicContact CB-CG 4.41Å; R519-K524 PolarHBondContact O-N 3.12Å; R519-V527 HydrophobicContact CB-CB 4.19Å; R519-V527 HydrophobicContact CB-CG1 4.12Å; R519-V527 HydrophobicContact CB-CG2 3.85Å; R519-V527 HydrophobicContact CG-CG2 4.18Å
520L96.6Very high94.8Very high0 Ų026.1 Ų26.10%013%0.126CC..Hα-helixtrans-68.8-42.9173.7-69.3175.9000111.9I460 L516 Q522 G523 V527 I528 I531 L548I460-L520 HydrophobicContact CD1-CD1 4.43Å; L516-L520 HydrophobicContact CD1-CD1 4.01Å; L516-L520 HydrophobicContact CD1-CG 4.17Å; L516-L520 HydrophobicContact CG-CD1 4.02Å; L516-L520 WeakPolarHBondContact O-CB 3.27Å; L516-L520 VanDerWaalsContact O-CG 3.27Å; L516-L520 WeakPolarHBondContact O-CG 3.46Å; L516-L520 PolarHBondContact O-N 2.94Å; L520-Q522 PolarHBondContact O-N 3.33Å; L520-G523 PolarHBondContact O-N 3.22Å; L520-V527 HydrophobicContact CD2-CG1 4.17Å; L520-V527 HydrophobicContact CG-CG1 4.49Å; L520-I528 HydrophobicContact CD2-CG1 4.04Å; L520-I531 HydrophobicContact CD1-CD1 3.86Å; L520-I531 HydrophobicContact CD2-CD1 3.71Å; L520-I531 HydrophobicContact CG-CD1 4.35Å; L520-L548 HydrophobicContact CB-CD1 3.6Å; L520-L548 HydrophobicContact CD1-CD1 4.37Å
521L96.8Very high94.9Very high4 Ų425.6 Ų25.62%0.02112%0.122CC..Hα-helixtrans-60.3-32172.2-75.5169.6000112.4M517 Y518 G523 P545 L548 V583 L585 L590M517-L521 WeakPolarHBondContact O-CG 3.5Å; M517-L521 PolarHBondContact O-N 2.89Å; M517-L521 VanDerWaalsContact O-N 3.08Å; Y518-L521 PolarHBondContact O-N 3.31Å; L521-G523 VanDerWaalsContact C-N 3.26Å; L521-G523 PolarHBondContact O-N 3.06Å; L521-P545 WeakPolarHBondContact CD2-O 3.36Å; L521-L548 HydrophobicContact CD2-CB 4.25Å; L521-L548 HydrophobicContact CD2-CD1 4.12Å; L521-L548 HydrophobicContact CD2-CG 3.74Å; L521-L548 HydrophobicContact CG-CB 4.45Å; L521-L548 HydrophobicContact CG-CD1 3.74Å; L521-L548 HydrophobicContact CG-CG 3.94Å; L521-V583 HydrophobicContact CD1-CG2 4.16Å; L521-L585 HydrophobicContact CB-CD2 3.78Å; L521-L585 HydrophobicContact CB-CG 3.97Å; L521-L585 HydrophobicContact CD1-CD2 4.44Å; L521-L590 HydrophobicContact CD1-CD2 3.75Å
522Q95.3Very high95Very high59 Ų5924.1 Ų24.128%0.27611%0.111SC..THydrogen-bonded Turntrans-76.4-8.6174.2-73.3-174-28.100114Y518 R519 L520 K524 L585Y518-Q522 WeakPolarHBondContact O-CG 3.28Å; Y518-Q522 PolarHBondContact O-N 2.95Å; Y518-Q522 VanDerWaalsContact O-N 3.1Å; Y518-Q522 PolarHBondContact OH-NE2 3.17Å; R519-Q522 PolarHBondContact O-N 3.34Å; L520-Q522 PolarHBondContact O-N 3.33Å; Q522-K524 VanDerWaalsContact C-N 3.32Å; Q522-K524 HydrophobicContact CB-CD 4.42Å; Q522-K524 HydrophobicContact CB-CG 3.84Å; Q522-K524 PolarHBondContact O-N 3.1Å; Q522-L585 HydrophobicContact CG-CD2 4.14Å
523G94.6Very high94.8Very high27 Ų2724.7 Ų24.728%0.27812%0.116SC..THydrogen-bonded Turntrans6630.4-174.800000113.9R519 L520 L521 R525R519-G523 PolarHBondContact O-N 3.4Å; L520-G523 PolarHBondContact O-N 3.22Å; L521-G523 VanDerWaalsContact C-N 3.26Å; L521-G523 PolarHBondContact O-N 3.06Å; G523-R525 PolarHBondContact O-N 3.36Å; G523-R525 VanDerWaalsContact O-N 3.11Å
524K94.3Very high94.5Very high57 Ų5728 Ų2825%0.24813%0.134CC..  trans-68.8111.2-178.1-65.3-62.9-174.8161.50110.9D37 R519 Q522 E526 V527 I528D37-K524 HydrophobicContact CB-CD 4.08Å; D37-K524 WeakPolarHBondContact OD1-CE 3.34Å; D37-K524 IonicContact OD1-NZ 2.8Å; D37-K524 PolarHBondContact OD1-NZ 2.83Å; D37-K524 IonicContact OD2-NZ 3.46Å; R519-K524 HydrophobicContact CB-CB 4.37Å; R519-K524 HydrophobicContact CB-CG 4.41Å; R519-K524 PolarHBondContact O-N 3.12Å; Q522-K524 VanDerWaalsContact C-N 3.32Å; Q522-K524 HydrophobicContact CB-CD 4.42Å; Q522-K524 HydrophobicContact CB-CG 3.84Å; Q522-K524 PolarHBondContact O-N 3.1Å; K524-E526 VanDerWaalsContact C-N 3.33Å; K524-E526 PolarHBondContact O-N 3.35Å; K524-V527 HydrophobicContact CB-CB 4.47Å; K524-V527 HydrophobicContact CB-CG2 4.4Å; K524-V527 PolarHBondContact O-N 2.91Å; K524-V527 VanDerWaalsContact O-N 3.12Å; K524-I528 WeakPolarHBondContact O-CG1 3.36Å; K524-I528 PolarHBondContact O-N 2.77Å; K524-I528 VanDerWaalsContact O-N 3.08Å
525R92.9Very high93.9Very high126 Ų12630.4 Ų30.448%0.47515%0.148SC..Hα-helixtrans-60-39.2-173.3-176.7171.2166.7175.6-4.9113G523 V527 I528 E529 R625G523-R525 PolarHBondContact O-N 3.36Å; G523-R525 VanDerWaalsContact O-N 3.11Å; R525-V527 PolarHBondContact O-N 3.43Å; R525-I528 PolarHBondContact O-N 3.29Å; R525-E529 HydrophobicContact CG-CG 4.29Å; R525-E529 IonicContact CZ-OE1 3.21Å; R525-E529 IonicContact NE-OE1 2.95Å; R525-E529 PolarHBondContact NE-OE1 3.37Å; R525-E529 IonicContact NH2-OE1 2.67Å; R525-E529 PolarHBondContact NH2-OE1 3.29Å; R525-E529 WeakPolarHBondContact O-CB 3.37Å; R525-E529 WeakPolarHBondContact O-CG 3.44Å; R525-E529 PolarHBondContact O-N 2.99Å; R525-R625 VanDerWaalsContact CD-NH2 3.34Å; R525-R625 VanDerWaalsContact CZ-CZ 3.42Å; R525-R625 VanDerWaalsContact CZ-NH2 3.34Å; R525-R625 VanDerWaalsContact NH2-CZ 3.34Å; R525-R625 VanDerWaalsContact NH2-NE 3.19Å
526E92.4Very high93.6Very high55 Ų5534.1 Ų34.126%0.25717%0.174SC..Hα-helixtrans-62.1-32.8179.2-61.180.4-174.100112.3P31 G32 K524P31-E526 HydrophobicContact CB-CB 4.08Å; P31-E526 HydrophobicContact CB-CG 3.93Å; G32-E526 WeakPolarHBondContact CA-O 3.44Å; K524-E526 VanDerWaalsContact C-N 3.33Å; K524-E526 PolarHBondContact O-N 3.35Å
527V95Very high93.3Very high0 Ų040.9 Ų40.90%020%0.203CC..Hα-helixtrans-80-38.6177.3176.20000111L39 L516 R519 L520 K524 R525 E529 L530L39-V527 HydrophobicContact CD2-CG1 3.64Å; L39-V527 HydrophobicContact CD2-CG2 4.03Å; L39-V527 HydrophobicContact CG-CG1 4.42Å; L39-V527 HydrophobicContact CG-CG2 4.4Å; L516-V527 HydrophobicContact CD1-CG1 3.7Å; R519-V527 HydrophobicContact CB-CB 4.19Å; R519-V527 HydrophobicContact CB-CG1 4.12Å; R519-V527 HydrophobicContact CB-CG2 3.85Å; R519-V527 HydrophobicContact CG-CG2 4.18Å; L520-V527 HydrophobicContact CD2-CG1 4.17Å; L520-V527 HydrophobicContact CG-CG1 4.49Å; K524-V527 HydrophobicContact CB-CB 4.47Å; K524-V527 HydrophobicContact CB-CG2 4.4Å; K524-V527 PolarHBondContact O-N 2.91Å; K524-V527 VanDerWaalsContact O-N 3.12Å; R525-V527 PolarHBondContact O-N 3.43Å; V527-E529 VanDerWaalsContact C-N 3.3Å; V527-E529 PolarHBondContact O-N 3.23Å; V527-L530 WeakPolarHBondContact O-CB 3.5Å; V527-L530 PolarHBondContact O-N 3.11Å
528I94.8Very high93.2Very high16 Ų1640.9 Ų40.98%0.08220%0.204CC..Hα-helixtrans-60.4-42.7173.8-65.1166.7000110.4L520 K524 R525 L530 I531 Q532 Y538L520-I528 HydrophobicContact CD2-CG1 4.04Å; K524-I528 WeakPolarHBondContact O-CG1 3.36Å; K524-I528 PolarHBondContact O-N 2.77Å; K524-I528 VanDerWaalsContact O-N 3.08Å; R525-I528 PolarHBondContact O-N 3.29Å; I528-L530 PolarHBondContact O-N 3.46Å; I528-L530 VanDerWaalsContact O-N 3.17Å; I528-I531 PolarHBondContact O-N 3.1Å; I528-Q532 PolarHBondContact O-N 2.8Å; I528-Y538 HydrophobicContact CD1-CD1 4.36Å; I528-Y538 HydrophobicContact CD1-CE1 3.8Å; I528-Y538 HydrophobicContact CG1-CE1 4.02Å; I528-Y538 HydrophobicContact CG2-CD1 3.7Å; I528-Y538 HydrophobicContact CG2-CD2 3.94Å; I528-Y538 HydrophobicContact CG2-CE1 4Å; I528-Y538 HydrophobicContact CG2-CE2 4.22Å; I528-Y538 HydrophobicContact CG2-CG 3.67Å
529E93.2Very high93.2Very high36 Ų3641.1 Ų41.117%0.16821%0.212CC..Hα-helixtrans-62.6-20.6178.6-75.3175.5-177.700113.3R525 V527 Q532 T533 R625R525-E529 HydrophobicContact CG-CG 4.29Å; R525-E529 IonicContact CZ-OE1 3.21Å; R525-E529 IonicContact NE-OE1 2.95Å; R525-E529 PolarHBondContact NE-OE1 3.37Å; R525-E529 IonicContact NH2-OE1 2.67Å; R525-E529 PolarHBondContact NH2-OE1 3.29Å; R525-E529 WeakPolarHBondContact O-CB 3.37Å; R525-E529 WeakPolarHBondContact O-CG 3.44Å; R525-E529 PolarHBondContact O-N 2.99Å; V527-E529 VanDerWaalsContact C-N 3.3Å; V527-E529 PolarHBondContact O-N 3.23Å; E529-Q532 WeakPolarHBondContact CA-O 3.29Å; E529-T533 PolarHBondContact O-OG1 3.05Å; E529-R625 IonicContact OE1-CZ 2.82Å; E529-R625 IonicContact OE1-NE 3.42Å; E529-R625 PolarHBondContact OE1-NE 3.02Å; E529-R625 IonicContact OE1-NH2 3.62Å; E529-R625 PolarHBondContact OE1-NH2 3.32Å; E529-R625 IonicContact OE2-NE 3.65Å; E529-R625 IonicContact OE2-NH2 2.84Å
530L93.9Very high93.1Very high16 Ų1640.6 Ų40.68%0.08421%0.21CC..Hα-helixtrans-73.4-31.5170-68.1177.6000113.2Q29 L33 L39 M475 L495 V527 I528Q29-L530 HydrophobicContact CB-CD2 3.93Å; Q29-L530 HydrophobicContact CG-CD2 4.09Å; L33-L530 HydrophobicContact CD2-CD1 3.71Å; L33-L530 HydrophobicContact CG-CD1 4.01Å; L33-L530 HydrophobicContact CG-CD2 4.25Å; L39-L530 HydrophobicContact CD1-CD1 4.24Å; L39-L530 HydrophobicContact CG-CD1 4.49Å; M475-L530 WeakPolarHBondContact CE-O 3.48Å; L495-L530 HydrophobicContact CD2-CB 3.84Å; L495-L530 HydrophobicContact CD2-CD1 4.29Å; V527-L530 WeakPolarHBondContact O-CB 3.5Å; V527-L530 PolarHBondContact O-N 3.11Å; I528-L530 PolarHBondContact O-N 3.46Å; I528-L530 VanDerWaalsContact O-N 3.17Å
531I94.7Very high92.9Very high0 Ų044.9 Ų44.90%023%0.23CC..Hα-helixtrans-86.1-46.1-179.2-58.9-178.5000110.1I472 F474 M475 L495 L516 L520 I528I472-I531 HydrophobicContact CG2-CD1 4.3Å; I472-I531 HydrophobicContact CG2-CG2 3.8Å; F474-I531 HydrophobicContact CD1-CG1 4.5Å; F474-I531 HydrophobicContact CD1-CG2 4.17Å; F474-I531 HydrophobicContact CD2-CG2 4.02Å; F474-I531 HydrophobicContact CE1-CD1 4.48Å; F474-I531 HydrophobicContact CE1-CG1 4.07Å; F474-I531 HydrophobicContact CE1-CG2 4.38Å; F474-I531 HydrophobicContact CE2-CG2 4.24Å; F474-I531 HydrophobicContact CG-CG2 3.98Å; F474-I531 HydrophobicContact CZ-CD1 4.17Å; F474-I531 HydrophobicContact CZ-CG1 4.26Å; F474-I531 HydrophobicContact CZ-CG2 4.42Å; M475-I531 VanDerWaalsContact CG-O 3.29Å; M475-I531 WeakPolarHBondContact CG-O 3.41Å; M475-I531 PolarHBondContact N-O 3.2Å; L495-I531 HydrophobicContact CD2-CG1 4.02Å; L516-I531 HydrophobicContact CD1-CD1 4.26Å; L520-I531 HydrophobicContact CD1-CD1 3.86Å; L520-I531 HydrophobicContact CD2-CD1 3.71Å; L520-I531 HydrophobicContact CG-CD1 4.35Å; I528-I531 PolarHBondContact O-N 3.1Å
532Q93.3Very high92.6Very high17 Ų1752.9 Ų52.98%0.07927%0.267CS..  trans-139.6112.4176.4-81.6-56.2-39.900110.7E473 I528 E529 D534 K537E473-Q532 WeakPolarHBondContact O-CG 3.32Å; E473-Q532 PolarHBondContact O-NE2 2.98Å; E473-Q532 VanDerWaalsContact O-NE2 3.08Å; I528-Q532 PolarHBondContact O-N 2.8Å; E529-Q532 WeakPolarHBondContact CA-O 3.29Å; Q532-D534 VanDerWaalsContact C-N 3.31Å; Q532-K537 HydrophobicContact CG-CB 4.42Å
533T90.8Very high92.6Very high20 Ų2056.6 Ų56.612%0.12329%0.285CS..SBendtrans-69.2-32.3172-56.30000111.7M475 E529 V535 G626M475-T533 WeakPolarHBondContact CE-OG1 3.12Å; M475-T533 PolarHBondContact SD-N 3.41Å; M475-T533 VanDerWaalsContact SD-N 3.43Å; M475-T533 PolarHBondContact SD-OG1 3.19Å; E529-T533 PolarHBondContact O-OG1 3.05Å; T533-V535 PolarHBondContact O-N 2.78Å; T533-G626 VanDerWaalsContact CG2-O 3.29Å; T533-G626 WeakPolarHBondContact CG2-O 3.45Å
534D89.8Confident92.6Very high71 Ų7158.4 Ų58.438%0.3829%0.291SS..SBendtrans-8698.5170.5-176.7-2.9000109.7Q532 S536 K537Q532-D534 VanDerWaalsContact C-N 3.31Å; D534-S536 VanDerWaalsContact CG-OG 3.3Å; D534-S536 PolarHBondContact O-N 2.71Å; D534-S536 VanDerWaalsContact O-N 3.13Å; D534-S536 WeakPolarHBondContact OD1-CB 3.32Å; D534-S536 PolarHBondContact OD1-N 2.84Å; D534-S536 PolarHBondContact OD1-OG 3.08Å; D534-S536 PolarHBondContact OD2-OG 3.04Å; D534-K537 HydrophobicContact CB-CD 4.24Å; D534-K537 HydrophobicContact CB-CG 4.33Å; D534-K537 PolarHBondContact O-N 2.99Å; D534-K537 VanDerWaalsContact OD2-CE 3.3Å; D534-K537 WeakPolarHBondContact OD2-CE 3.4Å
535V84.7Confident92.7Very high50 Ų5055.8 Ų55.830%0.30328%0.281SS..G310 helixtrans-58.6-28-175.4178.70000112.1T533 K537 Y538 H541T533-V535 PolarHBondContact O-N 2.78Å; V535-K537 PolarHBondContact O-N 3.14Å; V535-Y538 WeakPolarHBondContact O-CB 3.27Å; V535-Y538 PolarHBondContact O-N 2.69Å; V535-Y538 VanDerWaalsContact O-N 3.12Å; V535-H541 HydrophobicContact CG1-CB 3.61Å; V535-H541 VanDerWaalsContact O-CB 3.32Å; V535-H541 WeakPolarHBondContact O-CB 3.48Å
536S87.9Confident92.9Very high81 Ų8153.1 Ų53.157%0.56628%0.278SS*.G310 helixtrans-65.8-25.1179.570.90000113.4D534 Y538D534-S536 VanDerWaalsContact CG-OG 3.3Å; D534-S536 PolarHBondContact O-N 2.71Å; D534-S536 VanDerWaalsContact O-N 3.13Å; D534-S536 WeakPolarHBondContact OD1-CB 3.32Å; D534-S536 PolarHBondContact OD1-N 2.84Å; D534-S536 PolarHBondContact OD1-OG 3.08Å; D534-S536 PolarHBondContact OD2-OG 3.04Å; S536-Y538 VanDerWaalsContact C-N 3.34Å
537K91Very high93.1Very high141 Ų14153.6 Ų53.661%0.61328%0.278SS*.G310 helixtrans-83.5-12.4177.3-63.7-177.2-177.3176.20113Q532 D534 V535 P539Q532-K537 HydrophobicContact CG-CB 4.42Å; D534-K537 HydrophobicContact CB-CD 4.24Å; D534-K537 HydrophobicContact CB-CG 4.33Å; D534-K537 PolarHBondContact O-N 2.99Å; D534-K537 VanDerWaalsContact OD2-CE 3.3Å; D534-K537 WeakPolarHBondContact OD2-CE 3.4Å; V535-K537 PolarHBondContact O-N 3.14Å; K537-P539 WeakPolarHBondContact O-CD 3.37Å
538Y94.6Very high93.3Very high1 Ų153.6 Ų53.60%0.00428%0.278CS..SBendtrans-80.5119.9176.8-175.4-108.8000109.5I472 I528 V535 S536 F540 H541I472-Y538 HydrophobicContact CD1-CE2 4.14Å; I472-Y538 HydrophobicContact CG1-CE2 4.28Å; I472-Y538 HydrophobicContact CG2-CD2 4.14Å; I472-Y538 HydrophobicContact CG2-CE2 3.7Å; I528-Y538 HydrophobicContact CD1-CD1 4.36Å; I528-Y538 HydrophobicContact CD1-CE1 3.8Å; I528-Y538 HydrophobicContact CG1-CE1 4.02Å; I528-Y538 HydrophobicContact CG2-CD1 3.7Å; I528-Y538 HydrophobicContact CG2-CD2 3.94Å; I528-Y538 HydrophobicContact CG2-CE1 4Å; I528-Y538 HydrophobicContact CG2-CE2 4.22Å; I528-Y538 HydrophobicContact CG2-CG 3.67Å; V535-Y538 WeakPolarHBondContact O-CB 3.27Å; V535-Y538 PolarHBondContact O-N 2.69Å; V535-Y538 VanDerWaalsContact O-N 3.12Å; S536-Y538 VanDerWaalsContact C-N 3.34Å; Y538-F540 VanDerWaalsContact CD1-C 3.44Å; Y538-F540 HydrophobicContact CD1-CB 4.23Å; Y538-F540 VanDerWaalsContact CE1-C 3.5Å; Y538-F540 HydrophobicContact CE1-CB 3.6Å; Y538-F540 VanDerWaalsContact CE1-O 3.29Å; Y538-F540 WeakPolarHBondContact CE1-O 3.49Å; Y538-F540 PolarHBondContact O-N 3.1Å; Y538-F540 VanDerWaalsContact O-N 3.09Å; Y538-H541 HydrophobicContact CD1-CB 4.22Å; Y538-H541 WeakPolarHBondContact O-CB 3.31Å; Y538-H541 PolarHBondContact O-N 3.26Å; Y538-H541 PolarHBondContact O-ND1 3.27Å
539P94.1Very high93.4Very high60 Ų6055.9 Ų55.939%0.3929%0.286SS..THydrogen-bonded Turntrans-62.4-24.3-171.7-24.333.4000114.8T470 K537T470-P539 HydrophobicContact CG2-CB 3.79Å; T470-P539 HydrophobicContact CG2-CG 3.89Å; K537-P539 WeakPolarHBondContact O-CD 3.37Å
540F95.1Very high93.6Very high15 Ų1554.1 Ų54.17%0.06628%0.278CS..THydrogen-bonded Turntrans-11338.7-174.9-55.9-80.4000111.5G462 I472 Y538 E543 P545G462-F540 WeakPolarHBondContact O-CZ 3.41Å; I472-F540 HydrophobicContact CD1-CD2 4.29Å; I472-F540 HydrophobicContact CD1-CE2 4.39Å; I472-F540 HydrophobicContact CG1-CD2 4.24Å; I472-F540 HydrophobicContact CG1-CE2 4.13Å; Y538-F540 VanDerWaalsContact CD1-C 3.44Å; Y538-F540 HydrophobicContact CD1-CB 4.23Å; Y538-F540 VanDerWaalsContact CE1-C 3.5Å; Y538-F540 HydrophobicContact CE1-CB 3.6Å; Y538-F540 VanDerWaalsContact CE1-O 3.29Å; Y538-F540 WeakPolarHBondContact CE1-O 3.49Å; Y538-F540 PolarHBondContact O-N 3.1Å; Y538-F540 VanDerWaalsContact O-N 3.09Å; F540-E543 CarbonylContact C-O 3.4Å; F540-E543 WeakPolarHBondContact CB-O 3.44Å; F540-E543 VanDerWaalsContact O-O 3.06Å; F540-P545 HydrophobicContact CB-CG 4.39Å; F540-P545 HydrophobicContact CD1-CB 3.78Å; F540-P545 HydrophobicContact CD1-CG 4.5Å; F540-P545 HydrophobicContact CD2-CB 4.26Å; F540-P545 HydrophobicContact CD2-CG 4.38Å; F540-P545 HydrophobicContact CE1-CB 4.02Å; F540-P545 HydrophobicContact CE2-CB 4.49Å; F540-P545 HydrophobicContact CG-CB 3.93Å; F540-P545 HydrophobicContact CG-CG 4.17Å; F540-P545 HydrophobicContact CZ-CB 4.39Å
541H91.8Very high93.8Very high90 Ų9054 Ų5442%0.41728%0.277SS..SBendtrans-79.2-28.9-176.667-84.6000113.7V535 Y538V535-H541 HydrophobicContact CG1-CB 3.61Å; V535-H541 VanDerWaalsContact O-CB 3.32Å; V535-H541 WeakPolarHBondContact O-CB 3.48Å; Y538-H541 HydrophobicContact CD1-CB 4.22Å; Y538-H541 WeakPolarHBondContact O-CB 3.31Å; Y538-H541 PolarHBondContact O-N 3.26Å; Y538-H541 PolarHBondContact O-ND1 3.27Å
542E91.2Very high93.8Very high172 Ų17255.7 Ų55.780%0.80428%0.283SS*.SBendtrans-74.8-48.7175.9-61.2-173.6162.600111
543E93.5Very high94Very high138 Ų13856.4 Ų56.465%0.64529%0.285SS*.SBendtrans-136.6140.2178.4-66.4-17316800110.7F540F540-E543 CarbonylContact C-O 3.4Å; F540-E543 WeakPolarHBondContact CB-O 3.44Å; F540-E543 VanDerWaalsContact O-O 3.06Å
544P95.4Very high94.3Very high64 Ų6460.1 Ų60.142%0.41630%0.297SS..  trans-64.9147.917827.6-34000111.7
545P96.7Very high94.6Very high3 Ų356.8 Ų56.82%0.01928%0.279CS..  trans-66139.1-179.827.6-31.8000110.9L521 F540 L548L521-P545 WeakPolarHBondContact CD2-O 3.36Å; F540-P545 HydrophobicContact CB-CG 4.39Å; F540-P545 HydrophobicContact CD1-CB 3.78Å; F540-P545 HydrophobicContact CD1-CG 4.5Å; F540-P545 HydrophobicContact CD2-CB 4.26Å; F540-P545 HydrophobicContact CD2-CG 4.38Å; F540-P545 HydrophobicContact CE1-CB 4.02Å; F540-P545 HydrophobicContact CE2-CB 4.49Å; F540-P545 HydrophobicContact CG-CB 3.93Å; F540-P545 HydrophobicContact CG-CG 4.17Å; F540-P545 HydrophobicContact CZ-CB 4.39Å; P545-L548 HydrophobicContact CB-CD2 4.02Å; P545-L548 HydrophobicContact CG-CD2 3.62Å; P545-L548 HydrophobicContact CG-CG 4.13Å
546T96.8Very high95.1Very high70 Ų7056.5 Ų56.543%0.42927%0.273SS..SBendtrans-74.6-35.3176.3-59.20000111.6S463 H584S463-T546 PolarHBondContact O-N 3.26Å; S463-T546 VanDerWaalsContact O-N 3.11Å; T546-H584 VanDerWaalsContact O-CB 3.22Å; T546-H584 WeakPolarHBondContact O-CB 3.37Å
547Y97.8Very high95.4Very high65 Ų6552.9 Ų52.926%0.25525%0.246SC..EExtended strand (participates in β ladder)trans-126.6142.6179.3-55.1-84.1000110.8G462 S463 R582 V583 H584G462-Y547 CarbonylContact C-O 3.41Å; G462-Y547 WeakPolarHBondContact CA-O 3.47Å; S463-Y547 PolarHBondContact N-O 3.43Å; S463-Y547 PolarHBondContact O-N 2.84Å; Y547-R582 HydrophobicContact CD1-CG 4.23Å; Y547-V583 VanDerWaalsContact CA-O 3.3Å; Y547-V583 WeakPolarHBondContact CA-O 3.29Å; Y547-H584 HydrophobicContact CD1-CB 3.8Å; Y547-H584 HydrophobicContact CE1-CB 3.95Å; Y547-H584 AromaticContact CE1-ND1 3.98Å
548L98.1Very high95.6Very high0 Ų047 Ų470%022%0.222CC..EExtended strand (participates in β ladder)trans-126.8150.5168.1-69.2-178.9000110.2I460 E461 I472 M517 L520 L521 P545 R582 V583I460-L548 HydrophobicContact CG2-CD2 4.38Å; E461-L548 WeakPolarHBondContact O-CA 3.4Å; I472-L548 HydrophobicContact CD1-CD2 4.05Å; M517-L548 HydrophobicContact CE-CB 3.53Å; M517-L548 HydrophobicContact CE-CD1 4.31Å; M517-L548 WeakPolarHBondContact O-CD1 3.42Å; M517-L548 HydrophobicContact SD-CD1 4.29Å; L520-L548 HydrophobicContact CB-CD1 3.6Å; L520-L548 HydrophobicContact CD1-CD1 4.37Å; L521-L548 HydrophobicContact CD2-CB 4.25Å; L521-L548 HydrophobicContact CD2-CD1 4.12Å; L521-L548 HydrophobicContact CD2-CG 3.74Å; L521-L548 HydrophobicContact CG-CB 4.45Å; L521-L548 HydrophobicContact CG-CD1 3.74Å; L521-L548 HydrophobicContact CG-CG 3.94Å; P545-L548 HydrophobicContact CB-CD2 4.02Å; P545-L548 HydrophobicContact CG-CD2 3.62Å; P545-L548 HydrophobicContact CG-CG 4.13Å; L548-R582 CarbonylContact O-C 3.53Å; L548-R582 WeakPolarHBondContact O-CA 3.02Å; L548-V583 HydrophobicContact CB-CG2 4.38Å; L548-V583 PolarHBondContact N-O 2.98Å; L548-V583 PolarHBondContact O-N 3.24Å
549R97Very high95.3Very high63 Ų6353.5 Ų53.524%0.23825%0.253CS..EExtended strand (participates in β ladder)trans-145.4165.9167.171-172.1-176.7-177.2-0.3109.6E461 W469 H551E461-R549 HydrophobicContact CB-CG 4.09Å; E461-R549 PolarHBondContact N-O 3.2Å; E461-R549 PolarHBondContact O-N 3.4Å; E461-R549 IonicContact OE2-CZ 3.14Å; E461-R549 IonicContact OE2-NE 3.03Å; E461-R549 PolarHBondContact OE2-NE 3.11Å; E461-R549 IonicContact OE2-NH2 2.7Å; E461-R549 PolarHBondContact OE2-NH2 3.17Å; W469-R549 VanDerWaalsContact CD1-CZ 3.48Å; W469-R549 HydrophobicContact CD2-CG 4.31Å; W469-R549 VanDerWaalsContact CD2-CZ 3.44Å; W469-R549 VanDerWaalsContact CD2-NE 3.32Å; W469-R549 HydrophobicContact CE3-CG 3.72Å; W469-R549 HydrophobicContact CH2-CB 4.15Å; W469-R549 HydrophobicContact CH2-CG 3.95Å; W469-R549 HydrophobicContact CZ3-CB 4.02Å; W469-R549 HydrophobicContact CZ3-CG 3.53Å; R549-H551 WeakPolarHBondContact CD-NE2 3.36Å; R549-H551 PolarHBondContact NE-NE2 2.87Å
550A97.8Very high94.9Very high0 Ų053.7 Ų53.70%025%0.254CS..EExtended strand (participates in β ladder)trans-137.6139.1172.700000111.8V458 V459 I460 F513 M517 F579 Y580V458-A550 HydrophobicContact CG1-CB 3.91Å; V459-A550 VanDerWaalsContact O-CA 3.29Å; V459-A550 WeakPolarHBondContact O-CA 3.35Å; I460-A550 HydrophobicContact CG1-CB 4.37Å; F513-A550 HydrophobicContact CE1-CB 4.18Å; F513-A550 HydrophobicContact CZ-CB 3.79Å; M517-A550 HydrophobicContact CE-CB 4.48Å; A550-F579 HydrophobicContact CB-CD1 4.26Å; A550-F579 PolarHBondContact O-N 3.05Å; A550-Y580 PolarHBondContact N-O 2.9Å; A550-Y580 PolarHBondContact O-N 3.05Å
551H97.1Very high94.4Very high14 Ų1457.2 Ų57.27%0.06527%0.269CS..EExtended strand (participates in β ladder)trans-118.6146.4179.4-66.6-54.3000110.2V458 V459 E461 R549 Y553 Y575V458-H551 WeakPolarHBondContact CA-O 3.25Å; V459-H551 PolarHBondContact N-O 2.8Å; V459-H551 PolarHBondContact O-N 3.37Å; E461-H551 IonicContact OE1-CD2 3.49Å; E461-H551 IonicContact OE2-CD2 3.66Å; E461-H551 PolarHBondContact OE2-CD2 3.33Å; E461-H551 IonicContact OE2-NE2 3.43Å; R549-H551 WeakPolarHBondContact CD-NE2 3.36Å; R549-H551 PolarHBondContact NE-NE2 2.87Å; H551-Y553 HydrophobicContact CB-CD2 4.18Å; H551-Y553 HydrophobicContact CB-CE2 3.62Å; H551-Y575 HydrophobicContact CB-CD2 4.33Å; H551-Y575 HydrophobicContact CB-CE2 3.87Å; H551-Y575 AromaticContact CG-CE2 3.76Å; H551-Y575 AromaticContact ND1-CE2 3.6Å
552R96.4Very high93.9Very high34 Ų3458.5 Ų58.513%0.12830%0.296CS..EExtended strand (participates in β ladder)trans-96.3131.2169-164.2170.173.3-148.4-4.6109.3P456 E457 A503 D576 E577 F579P456-R552 HydrophobicContact CB-CG 4.32Å; E457-R552 WeakPolarHBondContact O-CA 3.46Å; A503-R552 WeakPolarHBondContact O-CD 3.24Å; R552-D576 IonicContact CZ-OD2 2.85Å; R552-D576 VanDerWaalsContact CZ-OD2 3.27Å; R552-D576 IonicContact NE-OD2 3.5Å; R552-D576 PolarHBondContact NE-OD2 3.36Å; R552-D576 IonicContact NH2-OD2 3.33Å; R552-D576 PolarHBondContact NH2-OD2 3.22Å; R552-D576 WeakPolarHBondContact O-CB 3.25Å; R552-D576 PolarHBondContact O-N 3.46Å; R552-E577 HydrophobicContact CB-CG 4.32Å; R552-E577 IonicContact CZ-OE1 2.74Å; R552-E577 PolarHBondContact N-O 3.28Å; R552-E577 IonicContact NE-OE1 3.53Å; R552-E577 IonicContact NH1-OE1 3.82Å; R552-E577 PolarHBondContact NH1-OE1 3.21Å; R552-E577 IonicContact NH2-OE1 3.52Å; R552-E577 PolarHBondContact NH2-OE1 2.85Å; R552-E577 IonicContact NH2-OE2 3.32Å; R552-E577 PolarHBondContact O-N 3.13Å; R552-F579 HydrophobicContact CB-CB 4.3Å
553Y96.9Very high93.4Very high32 Ų3256.2 Ų56.213%0.12529%0.289CS..EExtended strand (participates in β ladder)trans-119.3156.1173.4-70.2-96000109.1P456 E457 V459 H551 Y555 R573 V574 Y575P456-Y553 CarbonylContact C-O 3.56Å; P456-Y553 WeakPolarHBondContact CA-O 3.15Å; E457-Y553 PolarHBondContact N-O 2.9Å; E457-Y553 PolarHBondContact O-N 3.34Å; V459-Y553 HydrophobicContact CB-CD2 3.96Å; V459-Y553 HydrophobicContact CB-CE2 3.94Å; V459-Y553 HydrophobicContact CG2-CD2 3.64Å; V459-Y553 HydrophobicContact CG2-CE2 4.03Å; H551-Y553 HydrophobicContact CB-CD2 4.18Å; H551-Y553 HydrophobicContact CB-CE2 3.62Å; Y553-Y555 HydrophobicContact CG-CE2 4.47Å; Y553-R573 HydrophobicContact CD1-CG 4.27Å; Y553-V574 CarbonylContact C-O 3.56Å; Y553-V574 VanDerWaalsContact CA-O 3.31Å; Y553-V574 WeakPolarHBondContact CA-O 3.39Å; Y553-Y575 VanDerWaalsContact CD1-CA 3.46Å; Y553-Y575 AromaticContact CE1-CD2 3.98Å; Y553-Y575 HydrophobicContact CE1-CD2 3.98Å; Y553-Y575 HydrophobicContact CE1-CG 4.41Å; Y553-Y575 AromaticContact CZ-CD2 3.99Å
554R96.1Very high92.6Very high99 Ų9952.6 Ų52.637%0.37429%0.289SS..EExtended strand (participates in β ladder)trans-102.7127.1166.1-65.2-176.2-165.4-166.85.6109.3R455 W556 R573 V574 D576R455-R554 CarbonylContact O-C 3.48Å; R455-R554 WeakPolarHBondContact O-CA 3.27Å; R554-W556 HydrophobicContact CB-CE3 4.45Å; R554-W556 HydrophobicContact CB-CH2 3.42Å; R554-W556 VanDerWaalsContact CB-CH2 3.42Å; R554-W556 HydrophobicContact CB-CZ2 4.08Å; R554-W556 HydrophobicContact CB-CZ3 3.63Å; R554-W556 HydrophobicContact CG-CH2 4.45Å; R554-W556 WeakPolarHBondContact O-CZ3 3.35Å; R554-R573 CarbonylContact O-C 3.56Å; R554-R573 WeakPolarHBondContact O-CA 3.42Å; R554-V574 PolarHBondContact N-O 3.5Å; R554-V574 PolarHBondContact O-N 3.35Å; R554-D576 HydrophobicContact CG-CB 4.24Å; R554-D576 IonicContact CZ-OD1 2.66Å; R554-D576 VanDerWaalsContact CZ-OD1 3.29Å; R554-D576 IonicContact NE-OD1 2.85Å; R554-D576 PolarHBondContact NE-OD1 2.89Å; R554-D576 IonicContact NE-OD2 2.99Å; R554-D576 IonicContact NH2-OD1 3.25Å; R554-D576 PolarHBondContact NH2-OD1 3.43Å; R554-D576 IonicContact NH2-OD2 2.78Å
555Y95.7Very high91.9Very high0 Ų051.7 Ų51.70%028%0.284CS..EExtended strand (participates in β ladder)trans-105.6146178.5-76.9-112.8000110.1R455 E457 G479 V481 Y553 W571 R572 R573R455-Y555 WeakPolarHBondContact CB-O 3.3Å; R455-Y555 PolarHBondContact N-O 3.21Å; R455-Y555 PolarHBondContact O-N 3.42Å; E457-Y555 HydrophobicContact CB-CD2 3.55Å; E457-Y555 HydrophobicContact CB-CE2 3.52Å; E457-Y555 HydrophobicContact CG-CD2 3.79Å; E457-Y555 HydrophobicContact CG-CE2 4.11Å; E457-Y555 HydrophobicContact CG-CG 4.31Å; G479-Y555 WeakPolarHBondContact O-CE1 3.38Å; G479-Y555 PolarHBondContact O-OH 2.96Å; G479-Y555 VanDerWaalsContact O-OH 3.09Å; V481-Y555 HydrophobicContact CG1-CE1 4.3Å; Y553-Y555 HydrophobicContact CG-CE2 4.47Å; Y555-W571 HydrophobicContact CD1-CB 3.97Å; Y555-W571 HydrophobicContact CD1-CD2 4.31Å; Y555-W571 HydrophobicContact CD1-CE3 4.23Å; Y555-W571 HydrophobicContact CD1-CG 4.23Å; Y555-R572 CarbonylContact C-O 3.42Å; Y555-R572 WeakPolarHBondContact CA-O 3.11Å; Y555-R573 HydrophobicContact CD1-CB 3.9Å; Y555-R573 HydrophobicContact CD2-CB 3.93Å; Y555-R573 HydrophobicContact CE1-CB 3.84Å; Y555-R573 HydrophobicContact CE1-CG 4.36Å; Y555-R573 HydrophobicContact CE2-CB 3.91Å; Y555-R573 HydrophobicContact CG-CB 3.94Å; Y555-R573 WeakPolarHBondContact OH-CD 3.27Å; Y555-R573 PolarHBondContact OH-NH1 2.93Å
556W95.6Very high91.2Very high45 Ų4558.5 Ų58.517%0.1731%0.314CS..EExtended strand (participates in β ladder)trans-135.4152.6166.5-60.7-95.1000109.8E197 G453 G454 R554 W571 R572 V574E197-W556 WeakPolarHBondContact OE2-CA 3.42Å; E197-W556 WeakPolarHBondContact OE2-CB 3.08Å; G453-W556 WeakPolarHBondContact O-CZ2 3.41Å; G454-W556 VanDerWaalsContact CA-CE2 3.42Å; G454-W556 VanDerWaalsContact CA-NE1 3.26Å; R554-W556 HydrophobicContact CB-CE3 4.45Å; R554-W556 HydrophobicContact CB-CH2 3.42Å; R554-W556 VanDerWaalsContact CB-CH2 3.42Å; R554-W556 HydrophobicContact CB-CZ2 4.08Å; R554-W556 HydrophobicContact CB-CZ3 3.63Å; R554-W556 HydrophobicContact CG-CH2 4.45Å; R554-W556 WeakPolarHBondContact O-CZ3 3.35Å; W556-W571 CarbonylContact O-C 3.59Å; W556-W571 WeakPolarHBondContact O-CA 3.38Å; W556-R572 HydrophobicContact CB-CG 3.74Å; W556-R572 HydrophobicContact CE3-CG 4.32Å; W556-R572 PolarHBondContact N-O 2.63Å; W556-R572 PolarHBondContact O-N 3.44Å; W556-V574 HydrophobicContact CH2-CB 4.37Å; W556-V574 HydrophobicContact CH2-CG2 4.39Å; W556-V574 HydrophobicContact CZ3-CB 3.94Å; W556-V574 HydrophobicContact CZ3-CG2 3.78Å
557F94.9Very high90.5Very high4 Ų456.4 Ų56.42%0.01830%0.301CS..EExtended strand (participates in β ladder)trans-61.6147164.1-75.3-39.5000110.4Y196 E197 P202 A206 W207 H210 P485 W571Y196-F557 WeakPolarHBondContact O-CE2 3.36Å; E197-F557 VanDerWaalsContact CA-CE2 3.46Å; E197-F557 HydrophobicContact CB-CD2 3.76Å; E197-F557 HydrophobicContact CB-CE2 3.9Å; E197-F557 HydrophobicContact CG-CD2 4.07Å; E197-F557 HydrophobicContact CG-CE2 4.43Å; E197-F557 HydrophobicContact CG-CG 4.34Å; E197-F557 PolarHBondContact OE2-N 3.32Å; P202-F557 HydrophobicContact CB-CZ 4.07Å; P202-F557 HydrophobicContact CG-CZ 4.22Å; A206-F557 HydrophobicContact CB-CE2 4.18Å; A206-F557 HydrophobicContact CB-CZ 4.03Å; W207-F557 HydrophobicContact CB-CD1 4.42Å; W207-F557 HydrophobicContact CB-CE1 4.33Å; W207-F557 HydrophobicContact CB-CE2 4.49Å; W207-F557 HydrophobicContact CB-CZ 4.39Å; W207-F557 AromaticContact CD1-CD1 3.67Å; W207-F557 AromaticContact CD1-CG 3.64Å; W207-F557 HydrophobicContact CG-CD1 4.46Å; W207-F557 HydrophobicContact CG-CG 4.45Å; H210-F557 HydrophobicContact CB-CD2 3.85Å; H210-F557 HydrophobicContact CB-CE2 4.24Å; H210-F557 AromaticContact CG-CD2 3.83Å; P485-F557 HydrophobicContact CG-CE1 4.17Å; F557-W571 HydrophobicContact CD1-CD2 4Å; F557-W571 AromaticContact CD1-CE3 3.75Å; F557-W571 HydrophobicContact CD1-CE3 3.75Å; F557-W571 AromaticContact CD1-CH2 3.73Å; F557-W571 HydrophobicContact CD1-CH2 3.73Å; F557-W571 AromaticContact CD1-CZ2 3.97Å; F557-W571 HydrophobicContact CD1-CZ2 3.97Å; F557-W571 AromaticContact CD1-CZ3 3.61Å; F557-W571 HydrophobicContact CD1-CZ3 3.61Å; F557-W571 HydrophobicContact CE1-CD2 4.17Å; F557-W571 AromaticContact CE1-CE2 3.77Å; F557-W571 HydrophobicContact CE1-CE3 4.07Å; F557-W571 AromaticContact CE1-CH2 3.19Å; F557-W571 HydrophobicContact CE1-CH2 3.19Å; F557-W571 AromaticContact CE1-CZ2 3.29Å; F557-W571 HydrophobicContact CE1-CZ2 3.29Å; F557-W571 AromaticContact CE1-CZ3 3.6Å; F557-W571 HydrophobicContact CE1-CZ3 3.6Å; F557-W571 HydrophobicContact CG-CZ3 4.32Å; F557-W571 AromaticContact CZ-CH2 3.73Å; F557-W571 HydrophobicContact CZ-CH2 3.73Å; F557-W571 HydrophobicContact CZ-CZ2 4.08Å; F557-W571 HydrophobicContact CZ-CZ3 4.29Å
558T94.1Very high89.9Confident17 Ų1761 Ų6110%0.10433%0.325CS..PPolyproline II helixtrans-72148171.244.70000110.3W207 Q211 P567 R569 W570 R572W207-T558 PolarHBondContact NE1-O 2.84Å; W207-T558 PolarHBondContact NE1-OG1 2.97Å; Q211-T558 PolarHBondContact NE2-O 2.94Å; Q211-T558 VanDerWaalsContact NE2-O 3.11Å; T558-P567 VanDerWaalsContact OG1-CG 3.26Å; T558-P567 WeakPolarHBondContact OG1-CG 3.29Å; T558-R569 WeakPolarHBondContact CB-O 3.4Å; T558-R569 HydrophobicContact CG2-CB 4.22Å; T558-R569 VanDerWaalsContact CG2-O 3.28Å; T558-R569 WeakPolarHBondContact CG2-O 3.27Å; T558-R569 PolarHBondContact OG1-O 3.14Å; T558-W570 PolarHBondContact N-O 3.12Å; T558-W570 VanDerWaalsContact N-O 3.11Å; T558-W570 PolarHBondContact OG1-O 3.22Å; T558-R572 HydrophobicContact CG2-CB 4.48Å
559E89.4Confident89.7Confident139 Ų13968.1 Ų68.165%0.6535%0.352SS*.PPolyproline II helixtrans-89148175.7-67.5173.8-165.900109.8
560P86.5Confident89.5Confident63 Ų6368.3 Ų68.341%0.40935%0.353SS..PPolyproline II helixtrans-56.1141.9170.2-20.930.6000110.5W207 Q211W207-P560 HydrophobicContact CH2-CG 4.1Å; W207-P560 HydrophobicContact CZ2-CG 4.28Å; Q211-P560 HydrophobicContact CG-CG 3.98Å
561K84.6Confident89.4Confident89 Ų8968.5 Ų68.539%0.38735%0.354SS..PPolyproline II helixtrans-69.7151.4176-70.5171.8174.1177.40109.8D563 G564 S565 E568K561-D563 WeakPolarHBondContact CB-OD1 3.39Å; K561-D563 PolarHBondContact O-N 2.87Å; K561-D563 VanDerWaalsContact O-N 3.11Å; K561-G564 PolarHBondContact O-N 3.21Å; K561-S565 WeakPolarHBondContact CD-OG 3.47Å; K561-S565 PolarHBondContact N-O 3.01Å; K561-E568 IonicContact NZ-OE1 3.99Å
562A80.2Confident89.3Confident118 Ų11873.1 Ų73.198%0.97537%0.37SS*.THydrogen-bonded Turntrans-61.8-20.4-178.400000113.7G564A562-G564 VanDerWaalsContact C-N 3.29Å
563D80.1Confident89.2Confident123 Ų12375 Ų7566%0.65838%0.377SS*.THydrogen-bonded Turntrans-82.3-1.8174.860.37000113.6K561 S565K561-D563 WeakPolarHBondContact CB-OD1 3.39Å; K561-D563 PolarHBondContact O-N 2.87Å; K561-D563 VanDerWaalsContact O-N 3.11Å; D563-S565 VanDerWaalsContact C-N 3.3Å; D563-S565 VanDerWaalsContact CG-OG 3.26Å; D563-S565 WeakPolarHBondContact OD1-CB 3.29Å; D563-S565 PolarHBondContact OD1-N 3.27Å; D563-S565 PolarHBondContact OD1-OG 2.65Å; D563-S565 PolarHBondContact OD2-OG 3.45Å
564G76.4Confident89.2Confident63 Ų6377.4 Ų77.465%0.64940%0.395SS*.SBendtrans81.72-178.100000114.5K561 A562K561-G564 PolarHBondContact O-N 3.21Å; A562-G564 VanDerWaalsContact C-N 3.29Å
565S81.8Confident89.3Confident45 Ų4578.1 Ų78.132%0.31540%0.399SS..PPolyproline II helixtrans-79.2150.5176.7690000112.2K561 D563K561-S565 WeakPolarHBondContact CD-OG 3.47Å; K561-S565 PolarHBondContact N-O 3.01Å; D563-S565 VanDerWaalsContact C-N 3.3Å; D563-S565 VanDerWaalsContact CG-OG 3.26Å; D563-S565 WeakPolarHBondContact OD1-CB 3.29Å; D563-S565 PolarHBondContact OD1-N 3.27Å; D563-S565 PolarHBondContact OD1-OG 2.65Å; D563-S565 PolarHBondContact OD2-OG 3.45Å
566F81.4Confident89.3Confident145 Ų14580.3 Ų80.364%0.63641%0.41SS*.PPolyproline II helixtrans-71.4142.9178.2-68.2-71.5000111.3W207 F208W207-F566 HydrophobicContact CH2-CD1 4.01Å; W207-F566 HydrophobicContact CH2-CE1 4.34Å; W207-F566 HydrophobicContact CZ3-CD1 4.11Å; W207-F566 HydrophobicContact CZ3-CE1 4.1Å; F208-F566 AromaticContact CE1-CE1 3.82Å; F208-F566 HydrophobicContact CE1-CE1 3.82Å; F208-F566 HydrophobicContact CE1-CZ 4.37Å
567P83.3Confident89.3Confident26 Ų2682.2 Ų82.217%0.16942%0.421CS..PPolyproline II helixtrans-67.4145.4176.129.7-34.2000110.6W207 T558 R569W207-P567 HydrophobicContact CZ2-CG 3.8Å; T558-P567 VanDerWaalsContact OG1-CG 3.26Å; T558-P567 WeakPolarHBondContact OG1-CG 3.29Å; P567-R569 WeakPolarHBondContact CB-O 3.3Å; P567-R569 WeakPolarHBondContact CG-O 3.42Å; P567-R569 PolarHBondContact O-N 3.01Å
568E85.6Confident89.3Confident163 Ų16387.1 Ų87.176%0.76244%0.444SS*.SBendtrans-69.6-21.4176.7-70.2170.4-156.300112.6K561K561-E568 IonicContact NZ-OE1 3.99Å
569R92.8Very high89.4Confident149 Ų14986.8 Ų86.856%0.56244%0.441SS*.  trans-114.8147.7177.4-65.6179.6-176.8170.82.1109.4V481 T558 P567V481-R569 HydrophobicContact CG2-CG 4.42Å; V481-R569 WeakPolarHBondContact O-CB 3.45Å; T558-R569 WeakPolarHBondContact CB-O 3.4Å; T558-R569 HydrophobicContact CG2-CB 4.22Å; T558-R569 VanDerWaalsContact CG2-O 3.28Å; T558-R569 WeakPolarHBondContact CG2-O 3.27Å; T558-R569 PolarHBondContact OG1-O 3.14Å; P567-R569 WeakPolarHBondContact CB-O 3.3Å; P567-R569 WeakPolarHBondContact CG-O 3.42Å; P567-R569 PolarHBondContact O-N 3.01Å
570W93.2Very high89.8Confident67 Ų6780.2 Ų80.225%0.25441%0.41SS..SBendtrans-86.5-27.1173.9-71.682.5000112P204 W207 F208 V481 S484 T558P204-W570 HydrophobicContact CB-CH2 4.24Å; P204-W570 HydrophobicContact CB-CZ3 4.33Å; W207-W570 HydrophobicContact CB-CE3 4.04Å; W207-W570 HydrophobicContact CB-CZ3 3.86Å; W207-W570 HydrophobicContact CD2-CZ3 4.37Å; W207-W570 HydrophobicContact CG-CE3 4.01Å; W207-W570 HydrophobicContact CG-CZ3 4.05Å; F208-W570 HydrophobicContact CE2-CH2 4.39Å; V481-W570 PolarHBondContact O-N 2.9Å; S484-W570 VanDerWaalsContact CB-CE2 3.43Å; T558-W570 PolarHBondContact N-O 3.12Å; T558-W570 VanDerWaalsContact N-O 3.11Å; T558-W570 PolarHBondContact OG1-O 3.22Å
571W95.3Very high90.2Very high4 Ų478.8 Ų78.82%0.01540%0.401CS..EExtended strand (participates in β ladder)trans-127.6148.5-176.4-56.591.3000112.2E197 P202 P478 V481 P485 Y555 W556 F557E197-W571 HydrophobicContact CG-CZ3 4.07Å; P202-W571 HydrophobicContact CG-CH2 3.85Å; P202-W571 HydrophobicContact CG-CZ2 3.8Å; P478-W571 HydrophobicContact CB-CH2 4.37Å; P478-W571 HydrophobicContact CB-CZ2 3.9Å; P478-W571 HydrophobicContact CG-CH2 4.02Å; P478-W571 HydrophobicContact CG-CZ2 3.66Å; V481-W571 HydrophobicContact CB-CB 4.33Å; V481-W571 WeakPolarHBondContact CB-O 3.47Å; V481-W571 HydrophobicContact CG1-CB 4.31Å; V481-W571 PolarHBondContact O-N 2.86Å; P485-W571 HydrophobicContact CG-CZ2 3.99Å; Y555-W571 HydrophobicContact CD1-CB 3.97Å; Y555-W571 HydrophobicContact CD1-CD2 4.31Å; Y555-W571 HydrophobicContact CD1-CE3 4.23Å; Y555-W571 HydrophobicContact CD1-CG 4.23Å; W556-W571 CarbonylContact O-C 3.59Å; W556-W571 WeakPolarHBondContact O-CA 3.38Å; F557-W571 HydrophobicContact CD1-CD2 4Å; F557-W571 AromaticContact CD1-CE3 3.75Å; F557-W571 HydrophobicContact CD1-CE3 3.75Å; F557-W571 AromaticContact CD1-CH2 3.73Å; F557-W571 HydrophobicContact CD1-CH2 3.73Å; F557-W571 AromaticContact CD1-CZ2 3.97Å; F557-W571 HydrophobicContact CD1-CZ2 3.97Å; F557-W571 AromaticContact CD1-CZ3 3.61Å; F557-W571 HydrophobicContact CD1-CZ3 3.61Å; F557-W571 HydrophobicContact CE1-CD2 4.17Å; F557-W571 AromaticContact CE1-CE2 3.77Å; F557-W571 HydrophobicContact CE1-CE3 4.07Å; F557-W571 AromaticContact CE1-CH2 3.19Å; F557-W571 HydrophobicContact CE1-CH2 3.19Å; F557-W571 AromaticContact CE1-CZ2 3.29Å; F557-W571 HydrophobicContact CE1-CZ2 3.29Å; F557-W571 AromaticContact CE1-CZ3 3.6Å; F557-W571 HydrophobicContact CE1-CZ3 3.6Å; F557-W571 HydrophobicContact CG-CZ3 4.32Å; F557-W571 AromaticContact CZ-CH2 3.73Å; F557-W571 HydrophobicContact CZ-CH2 3.73Å; F557-W571 HydrophobicContact CZ-CZ2 4.08Å; F557-W571 HydrophobicContact CZ-CZ3 4.29Å
572R94.8Very high90.8Very high111 Ų11181.4 Ų81.442%0.41941%0.409SS..EExtended strand (participates in β ladder)trans-112.9141.6159.163.8-177.9-178.596.4-1.7107.9Y555 W556 T558Y555-R572 CarbonylContact C-O 3.42Å; Y555-R572 WeakPolarHBondContact CA-O 3.11Å; W556-R572 HydrophobicContact CB-CG 3.74Å; W556-R572 HydrophobicContact CE3-CG 4.32Å; W556-R572 PolarHBondContact N-O 2.63Å; W556-R572 PolarHBondContact O-N 3.44Å; T558-R572 HydrophobicContact CG2-CB 4.48Å
573R95.8Very high91.5Very high73 Ų7375.8 Ų75.828%0.27536%0.362SS..EExtended strand (participates in β ladder)trans-133.1149.6177.573.6-177.2-175.4-176.65.3111.8E471 V481 Y553 R554 Y555E471-R573 IonicContact OE1-CZ 3.56Å; E471-R573 IonicContact OE1-NH1 4Å; E471-R573 PolarHBondContact OE1-NH1 2.95Å; E471-R573 IonicContact OE1-NH2 2.63Å; E471-R573 PolarHBondContact OE1-NH2 3.18Å; E471-R573 IonicContact OE2-CZ 3.44Å; E471-R573 IonicContact OE2-NH1 3.63Å; E471-R573 PolarHBondContact OE2-NH1 3.34Å; E471-R573 IonicContact OE2-NH2 3.41Å; E471-R573 PolarHBondContact OE2-NH2 2.88Å; V481-R573 HydrophobicContact CG1-CG 4.01Å; Y553-R573 HydrophobicContact CD1-CG 4.27Å; R554-R573 CarbonylContact O-C 3.56Å; R554-R573 WeakPolarHBondContact O-CA 3.42Å; Y555-R573 HydrophobicContact CD1-CB 3.9Å; Y555-R573 HydrophobicContact CD2-CB 3.93Å; Y555-R573 HydrophobicContact CE1-CB 3.84Å; Y555-R573 HydrophobicContact CE1-CG 4.36Å; Y555-R573 HydrophobicContact CE2-CB 3.91Å; Y555-R573 HydrophobicContact CG-CB 3.94Å; Y555-R573 WeakPolarHBondContact OH-CD 3.27Å; Y555-R573 PolarHBondContact OH-NH1 2.93Å
574V96.9Very high92.3Very high82 Ų8273.2 Ų73.250%0.49735%0.346SS..EExtended strand (participates in β ladder)trans-130.1136.7175.4179.90000108.3Y553 R554 W556Y553-V574 CarbonylContact C-O 3.56Å; Y553-V574 VanDerWaalsContact CA-O 3.31Å; Y553-V574 WeakPolarHBondContact CA-O 3.39Å; R554-V574 PolarHBondContact N-O 3.5Å; R554-V574 PolarHBondContact O-N 3.35Å; W556-V574 HydrophobicContact CH2-CB 4.37Å; W556-V574 HydrophobicContact CH2-CG2 4.39Å; W556-V574 HydrophobicContact CZ3-CB 3.94Å; W556-V574 HydrophobicContact CZ3-CG2 3.78Å
575Y97.1Very high93.2Very high115 Ų11574.4 Ų74.445%0.45134%0.337SS..EExtended strand (participates in β ladder)trans-63134.7174.9177-95.3000110.3H551 Y553 E577 E578H551-Y575 HydrophobicContact CB-CD2 4.33Å; H551-Y575 HydrophobicContact CB-CE2 3.87Å; H551-Y575 AromaticContact CG-CE2 3.76Å; H551-Y575 AromaticContact ND1-CE2 3.6Å; Y553-Y575 VanDerWaalsContact CD1-CA 3.46Å; Y553-Y575 AromaticContact CE1-CD2 3.98Å; Y553-Y575 HydrophobicContact CE1-CD2 3.98Å; Y553-Y575 HydrophobicContact CE1-CG 4.41Å; Y553-Y575 AromaticContact CZ-CD2 3.99Å; Y575-E577 VanDerWaalsContact OH-C 3.25Å; Y575-E578 PolarHBondContact OH-N 3.28Å
576D95.1Very high93.6Very high45 Ų4574.9 Ų74.924%0.24135%0.349CS..EExtended strand (participates in β ladder)trans-108.1-66.5-179.7-171.150.8000110R552 R554R552-D576 IonicContact CZ-OD2 2.85Å; R552-D576 VanDerWaalsContact CZ-OD2 3.27Å; R552-D576 IonicContact NE-OD2 3.5Å; R552-D576 PolarHBondContact NE-OD2 3.36Å; R552-D576 IonicContact NH2-OD2 3.33Å; R552-D576 PolarHBondContact NH2-OD2 3.22Å; R552-D576 WeakPolarHBondContact O-CB 3.25Å; R552-D576 PolarHBondContact O-N 3.46Å; R554-D576 HydrophobicContact CG-CB 4.24Å; R554-D576 IonicContact CZ-OD1 2.66Å; R554-D576 VanDerWaalsContact CZ-OD1 3.29Å; R554-D576 IonicContact NE-OD1 2.85Å; R554-D576 PolarHBondContact NE-OD1 2.89Å; R554-D576 IonicContact NE-OD2 2.99Å; R554-D576 IonicContact NH2-OD1 3.25Å; R554-D576 PolarHBondContact NH2-OD1 3.43Å; R554-D576 IonicContact NH2-OD2 2.78Å
577E95.6Very high94.1Very high85 Ų8569.3 Ų69.340%0.39733%0.326SS..EExtended strand (participates in β ladder)trans-158.1166.4-17965.3-177.3-167.800112.5R552 Y575 F579R552-E577 HydrophobicContact CB-CG 4.32Å; R552-E577 IonicContact CZ-OE1 2.74Å; R552-E577 PolarHBondContact N-O 3.28Å; R552-E577 IonicContact NE-OE1 3.53Å; R552-E577 IonicContact NH1-OE1 3.82Å; R552-E577 PolarHBondContact NH1-OE1 3.21Å; R552-E577 IonicContact NH2-OE1 3.52Å; R552-E577 PolarHBondContact NH2-OE1 2.85Å; R552-E577 IonicContact NH2-OE2 3.32Å; R552-E577 PolarHBondContact O-N 3.13Å; Y575-E577 VanDerWaalsContact OH-C 3.25Å; E577-F579 PolarHBondContact O-N 3.25Å
578E96.5Very high94.6Very high107 Ų10774 Ų7450%0.535%0.354SS..EExtended strand (participates in β ladder)trans-69.7126.7167.3-175.3177.887.500109.1Y575Y575-E578 PolarHBondContact OH-N 3.28Å
579F96.3Very high95Very high11 Ų1169.6 Ų69.65%0.04833%0.332CS..EExtended strand (participates in β ladder)trans-96.6-41.1-179.4-178.8-100.1000112.1V458 A502 G505 Q507 F513 A550 R552 E577V458-F579 HydrophobicContact CB-CD1 4.48Å; V458-F579 HydrophobicContact CG1-CD1 3.66Å; V458-F579 HydrophobicContact CG1-CE1 4.07Å; V458-F579 HydrophobicContact CG1-CG 4.15Å; V458-F579 HydrophobicContact CG2-CD1 3.91Å; V458-F579 HydrophobicContact CG2-CD2 3.89Å; V458-F579 HydrophobicContact CG2-CE1 4Å; V458-F579 HydrophobicContact CG2-CE2 3.96Å; V458-F579 HydrophobicContact CG2-CG 3.85Å; V458-F579 HydrophobicContact CG2-CZ 4.02Å; A502-F579 HydrophobicContact CB-CZ 4.39Å; G505-F579 WeakPolarHBondContact O-CE2 3.14Å; Q507-F579 HydrophobicContact CB-CD1 4.44Å; Q507-F579 HydrophobicContact CB-CE1 3.96Å; Q507-F579 HydrophobicContact CB-CE2 4.35Å; Q507-F579 HydrophobicContact CB-CZ 3.91Å; Q507-F579 PolarHBondContact OE1-O 3.5Å; F513-F579 AromaticContact CD1-CE1 3.97Å; F513-F579 HydrophobicContact CD1-CE1 3.97Å; F513-F579 HydrophobicContact CD2-CE1 4.38Å; F513-F579 HydrophobicContact CE1-CD1 4.03Å; F513-F579 AromaticContact CE1-CE1 3.83Å; F513-F579 HydrophobicContact CE1-CE1 3.83Å; F513-F579 HydrophobicContact CE2-CE1 4.24Å; F513-F579 HydrophobicContact CG-CE1 4.25Å; F513-F579 HydrophobicContact CZ-CD1 4.1Å; F513-F579 AromaticContact CZ-CE1 3.97Å; F513-F579 HydrophobicContact CZ-CE1 3.97Å; A550-F579 HydrophobicContact CB-CD1 4.26Å; A550-F579 PolarHBondContact O-N 3.05Å; R552-F579 HydrophobicContact CB-CB 4.3Å; E577-F579 PolarHBondContact O-N 3.25Å
580Y95.9Very high95.1Very high0 Ų062.5 Ų62.50%031%0.306CS..EExtended strand (participates in β ladder)trans-139.2126.3179.8-157.9-83.8000109.2Q507 F513 M517 A550 V583 F589Q507-Y580 HydrophobicContact CB-CD2 4.39Å; Q507-Y580 VanDerWaalsContact OE1-CE2 3.25Å; F513-Y580 AromaticContact CD1-CD2 3.71Å; F513-Y580 HydrophobicContact CD1-CD2 3.71Å; F513-Y580 HydrophobicContact CD1-CE2 4.2Å; F513-Y580 HydrophobicContact CD1-CG 4.41Å; F513-Y580 AromaticContact CE1-CD2 3.65Å; F513-Y580 HydrophobicContact CE1-CD2 3.65Å; F513-Y580 HydrophobicContact CE1-CE2 4.47Å; F513-Y580 AromaticContact CE1-CG 3.89Å; F513-Y580 HydrophobicContact CE1-CG 3.89Å; M517-Y580 HydrophobicContact CB-CE1 4.43Å; M517-Y580 HydrophobicContact CE-CD1 3.8Å; M517-Y580 HydrophobicContact CE-CE1 4.37Å; M517-Y580 HydrophobicContact CE-CG 4.31Å; M517-Y580 HydrophobicContact CG-CD1 4.23Å; M517-Y580 HydrophobicContact CG-CE1 4.17Å; M517-Y580 HydrophobicContact CG-CG 4.46Å; A550-Y580 PolarHBondContact N-O 2.9Å; A550-Y580 PolarHBondContact O-N 3.05Å; Y580-V583 HydrophobicContact CD1-CG1 4.39Å; Y580-V583 HydrophobicContact CD1-CG2 4.21Å; Y580-V583 HydrophobicContact CE1-CB 4.36Å; Y580-V583 HydrophobicContact CE1-CG1 3.7Å; Y580-V583 HydrophobicContact CE1-CG2 3.73Å; Y580-F589 AromaticContact CE1-CE1 3.99Å; Y580-F589 HydrophobicContact CE1-CE1 3.99Å; Y580-F589 HydrophobicContact CE2-CE1 4.29Å; Y580-F589 AromaticContact CZ-CE1 3.75Å
581P95.7Very high95.1Very high33 Ų3361.6 Ų61.621%0.21431%0.305CS..EExtended strand (participates in β ladder)trans-68.3166.3-174.130.2-36.8000111.6V583 F589P581-V583 PolarHBondContact O-N 2.8Å; P581-F589 HydrophobicContact CG-CD1 3.68Å; P581-F589 HydrophobicContact CG-CE1 3.37Å; P581-F589 HydrophobicContact CG-CE2 4.31Å; P581-F589 HydrophobicContact CG-CG 4.28Å; P581-F589 HydrophobicContact CG-CZ 3.74Å
582R96.3Very high95.1Very high144 Ų14463.2 Ų63.254%0.54332%0.322SS..EExtended strand (participates in β ladder)trans-59.3120.2172.4-179.8-177.473.9-176.13.2111.3W469 Y547 L548W469-R582 HydrophobicContact CH2-CG 3.9Å; W469-R582 HydrophobicContact CZ2-CG 4.15Å; Y547-R582 HydrophobicContact CD1-CG 4.23Å; L548-R582 CarbonylContact O-C 3.53Å; L548-R582 WeakPolarHBondContact O-CA 3.02Å
583V96.8Very high95Very high0 Ų058.6 Ų58.60%031%0.306CS..EExtended strand (participates in β ladder)trans-127157.1177.7-68.60000112.4M517 L521 Y547 L548 Y580 P581 F589 L590M517-V583 HydrophobicContact CE-CG2 4.44Å; L521-V583 HydrophobicContact CD1-CG2 4.16Å; Y547-V583 VanDerWaalsContact CA-O 3.3Å; Y547-V583 WeakPolarHBondContact CA-O 3.29Å; L548-V583 HydrophobicContact CB-CG2 4.38Å; L548-V583 PolarHBondContact N-O 2.98Å; L548-V583 PolarHBondContact O-N 3.24Å; Y580-V583 HydrophobicContact CD1-CG1 4.39Å; Y580-V583 HydrophobicContact CD1-CG2 4.21Å; Y580-V583 HydrophobicContact CE1-CB 4.36Å; Y580-V583 HydrophobicContact CE1-CG1 3.7Å; Y580-V583 HydrophobicContact CE1-CG2 3.73Å; P581-V583 PolarHBondContact O-N 2.8Å; V583-F589 HydrophobicContact CG1-CD1 3.79Å; V583-F589 HydrophobicContact CG1-CE1 4.42Å; V583-L590 HydrophobicContact CB-CB 4.35Å; V583-L590 HydrophobicContact CB-CD2 4.41Å; V583-L590 HydrophobicContact CG1-CB 4.16Å
584H96.3Very high94.8Very high70 Ų7055.1 Ų55.132%0.32429%0.293SS..  trans-143.6168.2172.457.7-80.7000108.1T546 Y547 G586 N587T546-H584 VanDerWaalsContact O-CB 3.22Å; T546-H584 WeakPolarHBondContact O-CB 3.37Å; Y547-H584 HydrophobicContact CD1-CB 3.8Å; Y547-H584 HydrophobicContact CE1-CB 3.95Å; Y547-H584 AromaticContact CE1-ND1 3.98Å; H584-G586 PolarHBondContact O-N 3.46Å; H584-N587 WeakPolarHBondContact O-CB 3.12Å; H584-N587 PolarHBondContact O-N 3.31Å; H584-N587 VanDerWaalsContact O-N 3.16Å
585L94.6Very high94.6Very high88 Ų8855.3 Ų55.346%0.46129%0.294SS..THydrogen-bonded Turntrans-61.7131176.6-66.4174.8000110.7Y518 L521 Q522Y518-L585 HydrophobicContact CD2-CD2 4.01Å; Y518-L585 HydrophobicContact CE2-CD2 3.87Å; L521-L585 HydrophobicContact CB-CD2 3.78Å; L521-L585 HydrophobicContact CB-CG 3.97Å; L521-L585 HydrophobicContact CD1-CD2 4.44Å; Q522-L585 HydrophobicContact CG-CD2 4.14Å
586G89.4Confident94.4Very high54 Ų5456.3 Ų56.356%0.55730%0.303SS*.THydrogen-bonded Turntrans85.30.1-176.300000115.3H584 T588H584-G586 PolarHBondContact O-N 3.46Å; G586-T588 PolarHBondContact O-N 2.88Å
587N93.3Very high94.1Very high28 Ų2856.6 Ų56.615%0.1530%0.302CS..  trans-64.3130.1175.1-178-47.9000111.6H584 F589 L590 E591H584-N587 WeakPolarHBondContact O-CB 3.12Å; H584-N587 PolarHBondContact O-N 3.31Å; H584-N587 VanDerWaalsContact O-N 3.16Å; N587-F589 VanDerWaalsContact C-N 3.29Å; N587-F589 PolarHBondContact O-N 3.39Å; N587-F589 VanDerWaalsContact OD1-CB 3.29Å; N587-F589 WeakPolarHBondContact OD1-CB 3.47Å; N587-F589 PolarHBondContact OD1-N 3.34Å; N587-L590 HydrophobicContact CB-CB 4.26Å; N587-L590 PolarHBondContact O-N 3.12Å; N587-L590 VanDerWaalsContact O-N 3.13Å; N587-E591 VanDerWaalsContact O-CG 3.26Å; N587-E591 WeakPolarHBondContact O-CG 3.49Å; N587-E591 PolarHBondContact O-N 2.73Å
588T94.2Very high93.7Very high125 Ų12555 Ų5577%0.76731%0.309SS*.Hα-helixtrans-56.8-36.4-17853.20000114.1G586 G592G586-T588 PolarHBondContact O-N 2.88Å; T588-G592 PolarHBondContact O-N 2.78Å
589F94.1Very high93.3Very high70 Ų7050.7 Ų50.731%0.30729%0.289SS..Hα-helixtrans-65.1-49.3176.2174.3-94.8000111.4Y580 P581 V583 N587 G592 M593Y580-F589 AromaticContact CE1-CE1 3.99Å; Y580-F589 HydrophobicContact CE1-CE1 3.99Å; Y580-F589 HydrophobicContact CE2-CE1 4.29Å; Y580-F589 AromaticContact CZ-CE1 3.75Å; P581-F589 HydrophobicContact CG-CD1 3.68Å; P581-F589 HydrophobicContact CG-CE1 3.37Å; P581-F589 HydrophobicContact CG-CE2 4.31Å; P581-F589 HydrophobicContact CG-CG 4.28Å; P581-F589 HydrophobicContact CG-CZ 3.74Å; V583-F589 HydrophobicContact CG1-CD1 3.79Å; V583-F589 HydrophobicContact CG1-CE1 4.42Å; N587-F589 VanDerWaalsContact C-N 3.29Å; N587-F589 PolarHBondContact O-N 3.39Å; N587-F589 VanDerWaalsContact OD1-CB 3.29Å; N587-F589 WeakPolarHBondContact OD1-CB 3.47Å; N587-F589 PolarHBondContact OD1-N 3.34Å; F589-G592 PolarHBondContact O-N 2.63Å; F589-M593 HydrophobicContact CD1-CG 4.45Å; F589-M593 HydrophobicContact CE1-CG 4Å; F589-M593 HydrophobicContact CE2-CG 4.11Å; F589-M593 HydrophobicContact CZ-CG 3.79Å; F589-M593 HydrophobicContact CZ-SD 4.35Å; F589-M593 WeakPolarHBondContact O-CG 3.31Å; F589-M593 PolarHBondContact O-N 3.01Å
590L94.3Very high92.3Very high0 Ų054.4 Ų54.40%031%0.305CS..Hα-helixtrans-62.6-46.2179.4-179.559000110.9T514 Y518 L521 V583 N587 G592 M593 L594T514-L590 HydrophobicContact CG2-CD1 3.92Å; Y518-L590 HydrophobicContact CD2-CD2 4.12Å; L521-L590 HydrophobicContact CD1-CD2 3.75Å; V583-L590 HydrophobicContact CB-CB 4.35Å; V583-L590 HydrophobicContact CB-CD2 4.41Å; V583-L590 HydrophobicContact CG1-CB 4.16Å; N587-L590 HydrophobicContact CB-CB 4.26Å; N587-L590 PolarHBondContact O-N 3.12Å; N587-L590 VanDerWaalsContact O-N 3.13Å; L590-G592 VanDerWaalsContact C-N 3.31Å; L590-G592 PolarHBondContact O-N 2.81Å; L590-M593 PolarHBondContact O-N 2.99Å; L590-L594 HydrophobicContact CD1-CD1 4.27Å; L590-L594 HydrophobicContact CD1-CG 4.27Å; L590-L594 HydrophobicContact CG-CD1 4.03Å; L590-L594 HydrophobicContact CG-CG 4.48Å; L590-L594 WeakPolarHBondContact O-CB 3.46Å; L590-L594 VanDerWaalsContact O-CG 3.25Å; L590-L594 WeakPolarHBondContact O-CG 3.49Å; L590-L594 PolarHBondContact O-N 3.33Å
591E93.6Very high90.8Very high49 Ų4957 Ų5723%0.22932%0.319CS..Hα-helixtrans-62.2-38177.8-65.7-62.314800112.2N587 T595 K600N587-E591 VanDerWaalsContact O-CG 3.26Å; N587-E591 WeakPolarHBondContact O-CG 3.49Å; N587-E591 PolarHBondContact O-N 2.73Å; E591-T595 WeakPolarHBondContact O-CB 3.35Å; E591-T595 PolarHBondContact O-N 3.44Å; E591-T595 VanDerWaalsContact O-N 3.11Å; E591-T595 PolarHBondContact O-OG1 2.8Å; E591-K600 WeakPolarHBondContact OE2-CE 3.25Å; E591-K600 IonicContact OE2-NZ 3.57Å; E591-K600 PolarHBondContact OE2-NZ 3.02Å
592G93.9Very high89Confident38 Ų3865.5 Ų65.539%0.39235%0.353SS..Hα-helixtrans-63.3-49174.200000112.3T588 F589 L590 T595 Q596T588-G592 PolarHBondContact O-N 2.78Å; F589-G592 PolarHBondContact O-N 2.63Å; L590-G592 VanDerWaalsContact C-N 3.31Å; L590-G592 PolarHBondContact O-N 2.81Å; G592-T595 PolarHBondContact O-N 2.82Å; G592-Q596 WeakPolarHBondContact O-CB 3.37Å; G592-Q596 PolarHBondContact O-N 3.31Å
593M92.8Very high87.3Confident13 Ų1361.8 Ų61.86%0.06435%0.348CS..Hα-helixtrans-63.9-43.6178.4-70.9-66.3-76.200112.4T508 T514 F589 L590 T595 Q596 F597T508-M593 HydrophobicContact CG2-CE 4.49Å; T514-M593 HydrophobicContact CG2-CB 3.76Å; F589-M593 HydrophobicContact CD1-CG 4.45Å; F589-M593 HydrophobicContact CE1-CG 4Å; F589-M593 HydrophobicContact CE2-CG 4.11Å; F589-M593 HydrophobicContact CZ-CG 3.79Å; F589-M593 HydrophobicContact CZ-SD 4.35Å; F589-M593 WeakPolarHBondContact O-CG 3.31Å; F589-M593 PolarHBondContact O-N 3.01Å; L590-M593 PolarHBondContact O-N 2.99Å; M593-T595 VanDerWaalsContact C-N 3.25Å; M593-T595 PolarHBondContact O-N 3.41Å; M593-Q596 PolarHBondContact O-N 3.41Å; M593-F597 HydrophobicContact CE-CD2 4.31Å; M593-F597 HydrophobicContact CE-CE2 3.34Å; M593-F597 HydrophobicContact CE-CZ 3.75Å; M593-F597 WeakPolarHBondContact O-CD2 3.43Å; M593-F597 PolarHBondContact O-N 3.16Å; M593-F597 HydrophobicContact SD-CE2 4.4Å
594L92.8Very high85.5Confident1 Ų166.3 Ų66.31%0.00539%0.386CS..Hα-helixtrans-60.7-36.6175.6-71.6170.2000111.9T514 Y518 L590 G598 L599 K600T514-L594 HydrophobicContact CG2-CD2 3.83Å; T514-L594 HydrophobicContact CG2-CG 4.03Å; Y518-L594 HydrophobicContact CD1-CD1 4.29Å; Y518-L594 HydrophobicContact CD1-CD2 4.34Å; Y518-L594 HydrophobicContact CD2-CD1 3.68Å; Y518-L594 HydrophobicContact CE2-CD1 3.96Å; Y518-L594 HydrophobicContact CG-CD1 3.84Å; Y518-L594 HydrophobicContact CG-CD2 4.21Å; L590-L594 HydrophobicContact CD1-CD1 4.27Å; L590-L594 HydrophobicContact CD1-CG 4.27Å; L590-L594 HydrophobicContact CG-CD1 4.03Å; L590-L594 HydrophobicContact CG-CG 4.48Å; L590-L594 WeakPolarHBondContact O-CB 3.46Å; L590-L594 VanDerWaalsContact O-CG 3.25Å; L590-L594 WeakPolarHBondContact O-CG 3.49Å; L590-L594 PolarHBondContact O-N 3.33Å; L594-G598 PolarHBondContact O-N 2.95Å; L594-L599 HydrophobicContact CD2-CB 3.78Å; L594-L599 HydrophobicContact CD2-CD1 4.07Å; L594-L599 PolarHBondContact O-N 2.94Å; L594-K600 HydrophobicContact CB-CG 4.02Å
595T92Very high83.8Confident86 Ų8666.3 Ų66.353%0.52839%0.394SS..Hα-helixtrans-74-44.5177.7-53.40000111.2E591 G592 M593 F597 G598 K600E591-T595 WeakPolarHBondContact O-CB 3.35Å; E591-T595 PolarHBondContact O-N 3.44Å; E591-T595 VanDerWaalsContact O-N 3.11Å; E591-T595 PolarHBondContact O-OG1 2.8Å; G592-T595 PolarHBondContact O-N 2.82Å; M593-T595 VanDerWaalsContact C-N 3.25Å; M593-T595 PolarHBondContact O-N 3.41Å; T595-F597 VanDerWaalsContact C-N 3.29Å; T595-F597 PolarHBondContact O-N 3.34Å; T595-G598 PolarHBondContact O-N 3.11Å; T595-G598 VanDerWaalsContact O-N 3.1Å; T595-K600 PolarHBondContact OG1-NZ 3.45Å
596Q92Very high82.4Confident136 Ų13669.9 Ų69.964%0.63640%0.401SS*.Hα-helixtrans-57.5-41.6177.8179.5180-3.400112G592 M593G592-Q596 WeakPolarHBondContact O-CB 3.37Å; G592-Q596 PolarHBondContact O-N 3.31Å; M593-Q596 PolarHBondContact O-N 3.41Å
597F90Very high81Confident50 Ų5078.8 Ų78.822%0.21942%0.418CS..THydrogen-bonded Turntrans-88.70.7179.5-64.3-40.8000114.3P511 M593 T595 L599P511-F597 HydrophobicContact CB-CB 4.03Å; P511-F597 HydrophobicContact CB-CD1 3.87Å; P511-F597 HydrophobicContact CB-CD2 3.78Å; P511-F597 HydrophobicContact CB-CE1 4.23Å; P511-F597 HydrophobicContact CB-CE2 4.1Å; P511-F597 HydrophobicContact CB-CG 3.65Å; P511-F597 HydrophobicContact CB-CZ 4.33Å; P511-F597 HydrophobicContact CG-CD1 3.82Å; P511-F597 HydrophobicContact CG-CD2 4.43Å; P511-F597 HydrophobicContact CG-CE1 3.85Å; P511-F597 HydrophobicContact CG-CE2 4.41Å; P511-F597 HydrophobicContact CG-CG 4.14Å; P511-F597 HydrophobicContact CG-CZ 4.15Å; M593-F597 HydrophobicContact CE-CD2 4.31Å; M593-F597 HydrophobicContact CE-CE2 3.34Å; M593-F597 HydrophobicContact CE-CZ 3.75Å; M593-F597 WeakPolarHBondContact O-CD2 3.43Å; M593-F597 PolarHBondContact O-N 3.16Å; M593-F597 HydrophobicContact SD-CE2 4.4Å; T595-F597 VanDerWaalsContact C-N 3.29Å; T595-F597 PolarHBondContact O-N 3.34Å; F597-L599 VanDerWaalsContact C-N 3.26Å; F597-L599 HydrophobicContact CB-CD1 3.77Å; F597-L599 HydrophobicContact CB-CG 3.76Å; F597-L599 HydrophobicContact CD2-CD1 4.25Å; F597-L599 PolarHBondContact O-N 3.1Å
598G87.6Confident79.5Confident52 Ų5280.9 Ų80.954%0.53643%0.431SS..THydrogen-bonded Turntrans64.628.6-179.500000114L594 T595L594-G598 PolarHBondContact O-N 2.95Å; T595-G598 PolarHBondContact O-N 3.11Å; T595-G598 VanDerWaalsContact O-N 3.1Å
599L86.7Confident78Confident16 Ų1676.8 Ų76.88%0.08441%0.408CS..  trans-86.1-7.3-177.6-62.1171.1000113.2L40 W44 P511 T514 L594 F597 D601L40-L599 HydrophobicContact CD2-CD2 3.77Å; W44-L599 HydrophobicContact CH2-CD2 4.23Å; W44-L599 WeakPolarHBondContact CH2-O 3.49Å; W44-L599 HydrophobicContact CZ3-CD2 3.75Å; P511-L599 WeakPolarHBondContact O-CD1 3.4Å; T514-L599 HydrophobicContact CG2-CD1 4.37Å; L594-L599 HydrophobicContact CD2-CB 3.78Å; L594-L599 HydrophobicContact CD2-CD1 4.07Å; L594-L599 PolarHBondContact O-N 2.94Å; F597-L599 VanDerWaalsContact C-N 3.26Å; F597-L599 HydrophobicContact CB-CD1 3.77Å; F597-L599 HydrophobicContact CB-CG 3.76Å; F597-L599 HydrophobicContact CD2-CD1 4.25Å; F597-L599 PolarHBondContact O-N 3.1Å; L599-D601 PolarHBondContact O-N 3.17Å
600K76.1Confident76.8Confident89 Ų8979.7 Ų79.739%0.38743%0.427SS..SBendtrans-81.9106.1170.7-75.4-177.2179.7173.50110.1E591 L594 T595E591-K600 WeakPolarHBondContact OE2-CE 3.25Å; E591-K600 IonicContact OE2-NZ 3.57Å; E591-K600 PolarHBondContact OE2-NZ 3.02Å; L594-K600 HydrophobicContact CB-CG 4.02Å; T595-K600 PolarHBondContact OG1-NZ 3.45Å
601D65.3Low76.3Confident55 Ų5581.8 Ų81.829%0.29444%0.44SS..  trans-73131.9175.1-155.3-9.8000111.4R43 W44 L599 S603R43-D601 IonicContact CZ-OD2 3.14Å; R43-D601 IonicContact NE-OD2 3.06Å; R43-D601 PolarHBondContact NE-OD2 3.13Å; R43-D601 IonicContact NH2-OD2 2.8Å; R43-D601 PolarHBondContact NH2-OD2 2.96Å; W44-D601 HydrophobicContact CZ2-CB 4.04Å; W44-D601 PolarHBondContact NE1-OD2 2.95Å; L599-D601 PolarHBondContact O-N 3.17Å; D601-S603 WeakPolarHBondContact OD1-CB 3.34Å; D601-S603 PolarHBondContact OD1-N 3.22Å; D601-S603 PolarHBondContact OD1-OG 2.94Å; D601-S603 PolarHBondContact OD2-OG 3.01Å
602K57Low76Confident212 Ų21283 Ų8392%0.92246%0.459SS*.  trans-107.6-4.8169-67-175.7179.7-179.20112.1
603S59.8Low75.7Confident65 Ų6584.6 Ų84.646%0.45546%0.46SS..SBendtrans-90.5129.2-178.165.80000111.2D601D601-S603 WeakPolarHBondContact OD1-CB 3.34Å; D601-S603 PolarHBondContact OD1-N 3.22Å; D601-S603 PolarHBondContact OD1-OG 2.94Å; D601-S603 PolarHBondContact OD2-OG 3.01Å
604A58.8Low75.4Confident95 Ų9584 Ų8479%0.78546%0.457SS*.PPolyproline II helixtrans-66.3137.9176.500000110.1R606A604-R606 PolarHBondContact O-N 3.41Å
605S61.9Low75.3Confident71 Ų7188.7 Ų88.750%0.49748%0.479SS..PPolyproline II helixtrans-56.9130.4168.156.70000108.9R607S605-R607 PolarHBondContact O-N 3.02Å
606R64.3Low75.3Confident163 Ų16387.2 Ų87.262%0.61548%0.476SS*.PPolyproline II helixtrans-63136.7175.9-163.8170.4-175.2160.6-1.8108.7A604 V608A604-R606 PolarHBondContact O-N 3.41Å; R606-V608 PolarHBondContact O-N 2.71Å
607R59.5Low75.3Confident241 Ų24181 Ų8191%0.90945%0.447SS*.PPolyproline II helixtrans-61.8121.1179.4-137178.3-161-179.54.4108.6S605 S609S605-R607 PolarHBondContact O-N 3.02Å; R607-S609 PolarHBondContact O-N 2.87Å
608V62.2Low75.3Confident71 Ų7183.4 Ų83.443%0.4346%0.455SS..PPolyproline II helixtrans-63.6125.4178.3-176.30000108.6D73 R606D73-V608 HydrophobicContact CB-CG2 4.21Å; R606-V608 PolarHBondContact O-N 2.71Å
609S62.2Low75.6Confident40 Ų4088.7 Ų88.728%0.2846%0.459SS..PPolyproline II helixtrans-78.5142.2170.877.70000109.9G71 R607 T611G71-S609 VanDerWaalsContact C-OG 3.27Å; G71-S609 WeakPolarHBondContact CA-OG 3.49Å; G71-S609 WeakPolarHBondContact O-CB 3.07Å; G71-S609 PolarHBondContact O-OG 3.48Å; R607-S609 PolarHBondContact O-N 2.87Å; S609-T611 PolarHBondContact O-N 3.39Å; S609-T611 WeakPolarHBondContact OG-CG2 3.14Å
610N69.6Low75.9Confident130 Ų13090.2 Ų90.270%0.69547%0.468SS*.  trans-82.156.4176.6-87.4-27000111.1
611T84.4Confident76.6Confident44 Ų4487.8 Ų87.827%0.2746%0.457SS..  trans-75.4150.1171.654.80000110.5S609 V613 A614 Q615S609-T611 PolarHBondContact O-N 3.39Å; S609-T611 WeakPolarHBondContact OG-CG2 3.14Å; T611-V613 PolarHBondContact O-N 3.42Å; T611-A614 PolarHBondContact O-N 3.38Å; T611-A614 VanDerWaalsContact O-N 3.1Å; T611-A614 WeakPolarHBondContact OG1-CB 3.42Å; T611-A614 PolarHBondContact OG1-N 3.36Å; T611-Q615 PolarHBondContact O-N 2.65Å; T611-Q615 VanDerWaalsContact O-N 3.11Å
612A87.6Confident77.9Confident76 Ų7688.1 Ų88.163%0.62847%0.467SS*.Hα-helixtrans-56.6-38.3176.200000111.8A614 Q615 A616A612-A614 PolarHBondContact O-N 3.34Å; A612-Q615 PolarHBondContact O-N 3.41Å; A612-A616 PolarHBondContact O-N 3.21Å
613V87.2Confident79.5Confident71 Ų7183.6 Ų83.643%0.4345%0.45SS..Hα-helixtrans-60.2-46.6175.7-179.30000111.2L72 L80 T611 Q615 A616 V617L72-V613 HydrophobicContact CD1-CG1 4.46Å; L72-V613 HydrophobicContact CD2-CG1 4.41Å; L80-V613 HydrophobicContact CD1-CG1 4.2Å; L80-V613 HydrophobicContact CD2-CG1 3.8Å; T611-V613 PolarHBondContact O-N 3.42Å; V613-Q615 VanDerWaalsContact C-N 3.27Å; V613-Q615 PolarHBondContact O-N 3.46Å; V613-A616 PolarHBondContact O-N 3.21Å; V613-V617 WeakPolarHBondContact O-CG2 3.33Å; V613-V617 PolarHBondContact O-N 3.35Å
614A87.1Confident81Confident0 Ų081.9 Ų81.90%044%0.436CS..Hα-helixtrans-63.6-34178.100000112.4L72 T76 T611 A612 R618L72-A614 HydrophobicContact CD2-CB 3.79Å; T76-A614 HydrophobicContact CG2-CB 4.32Å; T611-A614 PolarHBondContact O-N 3.38Å; T611-A614 VanDerWaalsContact O-N 3.1Å; T611-A614 WeakPolarHBondContact OG1-CB 3.42Å; T611-A614 PolarHBondContact OG1-N 3.36Å; A612-A614 PolarHBondContact O-N 3.34Å; A614-R618 WeakPolarHBondContact O-CB 3.33Å; A614-R618 VanDerWaalsContact O-CG 3.32Å; A614-R618 WeakPolarHBondContact O-CG 3.31Å; A614-R618 PolarHBondContact O-N 2.52Å; A614-R618 PolarHBondContact O-NE 3.26Å
615Q89.3Confident82.3Confident99 Ų9982.6 Ų82.646%0.46342%0.418SS..Hα-helixtrans-70.2-43.4175.7-68.9176.9-9.800111.6T611 A612 V613 R618 W619T611-Q615 PolarHBondContact O-N 2.65Å; T611-Q615 VanDerWaalsContact O-N 3.11Å; A612-Q615 PolarHBondContact O-N 3.41Å; V613-Q615 VanDerWaalsContact C-N 3.27Å; V613-Q615 PolarHBondContact O-N 3.46Å; Q615-R618 PolarHBondContact O-N 2.95Å; Q615-W619 WeakPolarHBondContact O-CB 3.4Å; Q615-W619 PolarHBondContact O-N 3.37Å
616A91.6Very high83.4Confident55 Ų5581.4 Ų81.446%0.45542%0.418SS..Hα-helixtrans-61.1-47.2177.900000112A612 V613 R618 W619 V620A612-A616 PolarHBondContact O-N 3.21Å; V613-A616 PolarHBondContact O-N 3.21Å; A616-R618 VanDerWaalsContact C-N 3.32Å; A616-R618 PolarHBondContact O-N 3.38Å; A616-W619 WeakPolarHBondContact O-CB 3.43Å; A616-W619 PolarHBondContact O-N 3.3Å; A616-W619 VanDerWaalsContact O-N 3.15Å; A616-V620 WeakPolarHBondContact O-CG2 3.29Å; A616-V620 PolarHBondContact O-N 3.36Å
617V92.2Very high84.6Confident5 Ų576.1 Ų76.13%0.0340%0.403CS..Hα-helixtrans-59.9-43.1177.5174.30000111.2T76 E79 L80 L83 V613 V620 R621T76-V617 HydrophobicContact CG2-CB 4.05Å; T76-V617 HydrophobicContact CG2-CG1 3.93Å; E79-V617 HydrophobicContact CB-CG1 3.63Å; E79-V617 WeakPolarHBondContact OE2-CG1 3.4Å; L80-V617 HydrophobicContact CB-CG2 4.06Å; L80-V617 HydrophobicContact CD1-CG2 3.8Å; L80-V617 HydrophobicContact CG-CG2 4.47Å; L83-V617 HydrophobicContact CD1-CG1 4.17Å; L83-V617 HydrophobicContact CD1-CG2 4.47Å; V613-V617 WeakPolarHBondContact O-CG2 3.33Å; V613-V617 PolarHBondContact O-N 3.35Å; V617-V620 PolarHBondContact O-N 3.44Å; V617-R621 PolarHBondContact O-N 3.33Å
618R90.1Very high86.1Confident101 Ų10166.6 Ų66.638%0.38137%0.373SS..Hα-helixtrans-64.9-38.1176-78.6-179.7-81.8147.9-17.1112.7A614 Q615 A616 R621 A622A614-R618 WeakPolarHBondContact O-CB 3.33Å; A614-R618 VanDerWaalsContact O-CG 3.32Å; A614-R618 WeakPolarHBondContact O-CG 3.31Å; A614-R618 PolarHBondContact O-N 2.52Å; A614-R618 PolarHBondContact O-NE 3.26Å; Q615-R618 PolarHBondContact O-N 2.95Å; A616-R618 VanDerWaalsContact C-N 3.32Å; A616-R618 PolarHBondContact O-N 3.38Å; R618-R621 WeakPolarHBondContact O-CB 3.25Å; R618-R621 PolarHBondContact O-N 3.39Å; R618-A622 PolarHBondContact O-N 2.79Å
619W93.6Very high87.6Confident164 Ų16463.3 Ų63.362%0.62135%0.353SS*.Hα-helixtrans-64.3-47175.9178.687.4000111.1Q615 A616 R621 A622 Q623Q615-W619 WeakPolarHBondContact O-CB 3.4Å; Q615-W619 PolarHBondContact O-N 3.37Å; A616-W619 WeakPolarHBondContact O-CB 3.43Å; A616-W619 PolarHBondContact O-N 3.3Å; A616-W619 VanDerWaalsContact O-N 3.15Å; W619-R621 VanDerWaalsContact C-N 3.29Å; W619-R621 PolarHBondContact O-N 3.17Å; W619-A622 WeakPolarHBondContact O-CB 3.48Å; W619-A622 PolarHBondContact O-N 3.16Å; W619-Q623 HydrophobicContact CD2-CG 4.35Å; W619-Q623 HydrophobicContact CE3-CG 4.42Å; W619-Q623 HydrophobicContact CH2-CG 4.09Å; W619-Q623 HydrophobicContact CZ2-CG 4Å; W619-Q623 HydrophobicContact CZ3-CG 4.29Å; W619-Q623 PolarHBondContact O-N 3.47Å
620V93.5Very high89Confident47 Ų4763.7 Ų63.729%0.28535%0.35SS..Hα-helixtrans-57.9-44.2175.4174.50000110.7L83 A616 V617 A622 Q623 V624L83-V620 HydrophobicContact CD1-CB 4.22Å; L83-V620 HydrophobicContact CD1-CG1 3.99Å; L83-V620 HydrophobicContact CD2-CG1 3.85Å; A616-V620 WeakPolarHBondContact O-CG2 3.29Å; A616-V620 PolarHBondContact O-N 3.36Å; V617-V620 PolarHBondContact O-N 3.44Å; V620-A622 VanDerWaalsContact C-N 3.3Å; V620-A622 PolarHBondContact O-N 3.09Å; V620-Q623 PolarHBondContact O-N 3.16Å; V620-Q623 VanDerWaalsContact O-N 3.17Å; V620-V624 PolarHBondContact O-N 2.98Å
621R91.9Very high90.1Very high38 Ų3860.4 Ų60.414%0.14334%0.335CS..Hα-helixtrans-57.8-42.7175.4174.963.370.5-174.81.3112.2Y27 E79 V617 R618 W619 Q623 V624 R625Y27-R621 VanDerWaalsContact CE2-NH2 3.34Å; Y27-R621 VanDerWaalsContact CZ-CZ 3.47Å; Y27-R621 VanDerWaalsContact O-CZ 3.3Å; Y27-R621 PolarHBondContact O-NH1 3.49Å; Y27-R621 PolarHBondContact O-NH2 2.72Å; Y27-R621 VanDerWaalsContact OH-CA 3.24Å; Y27-R621 WeakPolarHBondContact OH-CA 3.49Å; Y27-R621 PolarHBondContact OH-N 3.4Å; E79-R621 VanDerWaalsContact CD-NH2 3.25Å; E79-R621 IonicContact OE1-CZ 2.74Å; E79-R621 VanDerWaalsContact OE1-CZ 3.28Å; E79-R621 IonicContact OE1-NE 3.61Å; E79-R621 PolarHBondContact OE1-NE 3.32Å; E79-R621 IonicContact OE1-NH2 3.86Å; E79-R621 PolarHBondContact OE1-NH2 3.31Å; E79-R621 IonicContact OE2-NE 3.55Å; V617-R621 PolarHBondContact O-N 3.33Å; R618-R621 WeakPolarHBondContact O-CB 3.25Å; R618-R621 PolarHBondContact O-N 3.39Å; W619-R621 VanDerWaalsContact C-N 3.29Å; W619-R621 PolarHBondContact O-N 3.17Å; R621-Q623 VanDerWaalsContact C-N 3.25Å; R621-Q623 PolarHBondContact O-N 3.1Å; R621-V624 PolarHBondContact O-N 3.26Å; R621-R625 PolarHBondContact O-N 3.39Å; R621-R625 VanDerWaalsContact O-N 3.08Å
622A91.3Very high90.6Very high63 Ų6359.8 Ų59.852%0.52133%0.33SS..Hα-helixtrans-62.6-32.8-179.900000112.3R618 W619 V620R618-A622 PolarHBondContact O-N 2.79Å; W619-A622 WeakPolarHBondContact O-CB 3.48Å; W619-A622 PolarHBondContact O-N 3.16Å; V620-A622 VanDerWaalsContact C-N 3.3Å; V620-A622 PolarHBondContact O-N 3.09Å
623Q91.7Very high91Very high117 Ų11756.2 Ų56.255%0.54730%0.3SS..Hα-helixtrans-71.3-32.5177.2-59-52.9-45.200113.3W619 V620 R621W619-Q623 HydrophobicContact CD2-CG 4.35Å; W619-Q623 HydrophobicContact CE3-CG 4.42Å; W619-Q623 HydrophobicContact CH2-CG 4.09Å; W619-Q623 HydrophobicContact CZ2-CG 4Å; W619-Q623 HydrophobicContact CZ3-CG 4.29Å; W619-Q623 PolarHBondContact O-N 3.47Å; V620-Q623 PolarHBondContact O-N 3.16Å; V620-Q623 VanDerWaalsContact O-N 3.17Å; R621-Q623 VanDerWaalsContact C-N 3.25Å; R621-Q623 PolarHBondContact O-N 3.1Å
624V89.9Confident91.4Very high28 Ų2859.5 Ų59.517%0.1731%0.305CS..Hα-helixtrans-94.1-8.7-175.2-177.10000112V620 R621 G626 V627 L632V620-V624 PolarHBondContact O-N 2.98Å; R621-V624 PolarHBondContact O-N 3.26Å; V624-G626 PolarHBondContact O-N 3.28Å; V624-V627 WeakPolarHBondContact O-CB 3.24Å; V624-V627 PolarHBondContact O-N 2.84Å; V624-L632 HydrophobicContact CG1-CD1 4.46Å; V624-L632 HydrophobicContact CG1-CD2 3.5Å
625R87.6Confident91.7Very high110 Ų11062.7 Ų62.742%0.41533%0.325SS..THydrogen-bonded Turntrans-62.1134.5-177.8-166.5178.5-168.3162.813.3111.1R525 E529 R621 V627R525-R625 VanDerWaalsContact CD-NH2 3.34Å; R525-R625 VanDerWaalsContact CZ-CZ 3.42Å; R525-R625 VanDerWaalsContact CZ-NH2 3.34Å; R525-R625 VanDerWaalsContact NH2-CZ 3.34Å; R525-R625 VanDerWaalsContact NH2-NE 3.19Å; E529-R625 IonicContact OE1-CZ 2.82Å; E529-R625 IonicContact OE1-NE 3.42Å; E529-R625 PolarHBondContact OE1-NE 3.02Å; E529-R625 IonicContact OE1-NH2 3.62Å; E529-R625 PolarHBondContact OE1-NH2 3.32Å; E529-R625 IonicContact OE2-NE 3.65Å; E529-R625 IonicContact OE2-NH2 2.84Å; R621-R625 PolarHBondContact O-N 3.39Å; R621-R625 VanDerWaalsContact O-N 3.08Å; R625-V627 VanDerWaalsContact C-N 3.27Å; R625-V627 PolarHBondContact O-N 2.82Å
626G84.4Confident92Very high47 Ų4760.2 Ų60.249%0.48531%0.314SS..THydrogen-bonded Turntrans82.9-1.6-179.600000114.4T533 V624T533-G626 VanDerWaalsContact CG2-O 3.29Å; T533-G626 WeakPolarHBondContact CG2-O 3.45Å; V624-G626 PolarHBondContact O-N 3.28Å
627V90.1Very high92.1Very high52 Ų5259.3 Ų59.332%0.31530%0.302SS..  trans-92.7124.8174.1-175.70000109.8V624 R625 A629 L632V624-V627 WeakPolarHBondContact O-CB 3.24Å; V624-V627 PolarHBondContact O-N 2.84Å; R625-V627 VanDerWaalsContact C-N 3.27Å; R625-V627 PolarHBondContact O-N 2.82Å; V627-A629 PolarHBondContact O-N 2.92Å; V627-L632 HydrophobicContact CG1-CB 4.32Å
628P90.9Very high92.2Very high40 Ų4061.7 Ų61.726%0.2632%0.322SS..  trans-59.1136.7173.5-23.933.8000111.8H630 T631 L632P628-H630 VanDerWaalsContact C-N 3.33Å; P628-H630 VanDerWaalsContact CB-CE1 3.42Å; P628-H630 WeakPolarHBondContact CB-CE1 3.44Å; P628-H630 PolarHBondContact O-N 3.28Å; P628-T631 WeakPolarHBondContact O-CB 3.33Å; P628-T631 PolarHBondContact O-N 3.43Å; P628-T631 VanDerWaalsContact O-N 3.16Å; P628-L632 PolarHBondContact O-N 3.15Å; P628-L632 VanDerWaalsContact O-N 3.16Å
629A92.4Very high92.4Very high3 Ų360.6 Ų60.63%0.02533%0.329CS..Hα-helixtrans-60.5-38.2-173.200000113.9V28 H491 V627 L632 I633V28-A629 HydrophobicContact CB-CB 3.92Å; V28-A629 HydrophobicContact CG1-CB 3.98Å; V28-A629 HydrophobicContact CG2-CB 4Å; H491-A629 WeakPolarHBondContact CE1-CB 3.43Å; H491-A629 WeakPolarHBondContact ND1-CB 3.42Å; V627-A629 PolarHBondContact O-N 2.92Å; A629-L632 PolarHBondContact O-N 3.43Å; A629-I633 WeakPolarHBondContact O-CD1 3.28Å; A629-I633 VanDerWaalsContact O-CG1 3.26Å; A629-I633 WeakPolarHBondContact O-CG1 3.49Å; A629-I633 PolarHBondContact O-N 3.13Å
630H92.6Very high92.3Very high47 Ų4753 Ų5322%0.21830%0.301CS..Hα-helixtrans-64.2-40.5178.564.9-82.9000111.7Y476 H491 P628 I633 W634Y476-H630 AromaticContact CE1-CE1 3.82Å; Y476-H630 AromaticContact CE1-ND1 3.56Å; Y476-H630 AromaticContact CZ-ND1 3.68Å; Y476-H630 PolarHBondContact OH-ND1 3.28Å; H491-H630 HydrophobicContact CB-CB 3.85Å; P628-H630 VanDerWaalsContact C-N 3.33Å; P628-H630 VanDerWaalsContact CB-CE1 3.42Å; P628-H630 WeakPolarHBondContact CB-CE1 3.44Å; P628-H630 PolarHBondContact O-N 3.28Å; H630-I633 PolarHBondContact O-N 3.04Å; H630-W634 VanDerWaalsContact O-CD1 3.24Å; H630-W634 PolarHBondContact O-N 3.46Å
631T93.4Very high92.2Very high61 Ų6153.6 Ų53.637%0.37431%0.31SS..Hα-helixtrans-61.4-47.4175-50.20000110.8P628 I633 W634 T635P628-T631 WeakPolarHBondContact O-CB 3.33Å; P628-T631 PolarHBondContact O-N 3.43Å; P628-T631 VanDerWaalsContact O-N 3.16Å; T631-I633 VanDerWaalsContact C-N 3.32Å; T631-I633 PolarHBondContact O-N 3.46Å; T631-W634 PolarHBondContact O-N 2.9Å; T631-T635 HydrophobicContact CG2-CG2 4.47Å; T631-T635 VanDerWaalsContact O-CG2 3.3Å; T631-T635 WeakPolarHBondContact O-CG2 3.33Å; T631-T635 PolarHBondContact O-N 3.27Å; T631-T635 PolarHBondContact O-OG1 3.15Å
632L94.5Very high92.2Very high32 Ų3255.6 Ų55.617%0.16833%0.327CS..Hα-helixtrans-57.7-45.5177.2-177.566.1000111.7V24 V28 V624 V627 P628 A629 T635 L636V24-L632 HydrophobicContact CG1-CD2 3.57Å; V24-L632 HydrophobicContact CG1-CG 3.94Å; V28-L632 HydrophobicContact CG2-CD2 4.05Å; V624-L632 HydrophobicContact CG1-CD1 4.46Å; V624-L632 HydrophobicContact CG1-CD2 3.5Å; V627-L632 HydrophobicContact CG1-CB 4.32Å; P628-L632 PolarHBondContact O-N 3.15Å; P628-L632 VanDerWaalsContact O-N 3.16Å; A629-L632 PolarHBondContact O-N 3.43Å; L632-T635 WeakPolarHBondContact CA-OG1 3.4Å; L632-T635 PolarHBondContact O-N 3.48Å; L632-T635 PolarHBondContact O-OG1 2.96Å; L632-L636 HydrophobicContact CG-CD1 4.49Å; L632-L636 WeakPolarHBondContact O-CG 3.37Å; L632-L636 PolarHBondContact O-N 3.42Å
633I95.6Very high92.3Very high1 Ų156.9 Ų56.91%0.00532%0.321CS..Hα-helixtrans-62.1-47.4178.3-68.7162.4000111.3V21 V24 P490 H491 A629 H630 T631 T635 L636 L637V21-I633 HydrophobicContact CB-CG2 4.4Å; V21-I633 HydrophobicContact CG1-CD1 4.4Å; V21-I633 HydrophobicContact CG1-CG2 4.27Å; V21-I633 HydrophobicContact CG2-CG2 3.77Å; V24-I633 HydrophobicContact CB-CG1 4.14Å; V24-I633 HydrophobicContact CG1-CG1 3.73Å; P490-I633 HydrophobicContact CG-CG2 3.8Å; H491-I633 HydrophobicContact CB-CD1 3.93Å; A629-I633 WeakPolarHBondContact O-CD1 3.28Å; A629-I633 VanDerWaalsContact O-CG1 3.26Å; A629-I633 WeakPolarHBondContact O-CG1 3.49Å; A629-I633 PolarHBondContact O-N 3.13Å; H630-I633 PolarHBondContact O-N 3.04Å; T631-I633 VanDerWaalsContact C-N 3.32Å; T631-I633 PolarHBondContact O-N 3.46Å; I633-T635 VanDerWaalsContact C-N 3.32Å; I633-T635 PolarHBondContact O-N 2.94Å; I633-L636 PolarHBondContact O-N 2.89Å; I633-L637 HydrophobicContact CG2-CD1 3.95Å; I633-L637 HydrophobicContact CG2-CG 4.39Å; I633-L637 WeakPolarHBondContact O-CG 3.28Å; I633-L637 PolarHBondContact O-N 3.4Å
634W94.8Very high92.1Very high140 Ų14053.3 Ų53.353%0.5331%0.309SS..Hα-helixtrans-64.5-36178.5-82.9109.9000112.6T489 H630 T631 L637 A638T489-W634 PolarHBondContact O-NE1 2.89Å; H630-W634 VanDerWaalsContact O-CD1 3.24Å; H630-W634 PolarHBondContact O-N 3.46Å; T631-W634 PolarHBondContact O-N 2.9Å; W634-L637 HydrophobicContact CE3-CD1 4.23Å; W634-L637 HydrophobicContact CZ3-CD1 4.45Å; W634-L637 PolarHBondContact O-N 3.44Å; W634-A638 VanDerWaalsContact O-CB 3.27Å; W634-A638 WeakPolarHBondContact O-CB 3.4Å; W634-A638 PolarHBondContact O-N 2.96Å
635T94.7Very high92Very high67 Ų6757.4 Ų57.441%0.41133%0.329SS..Hα-helixtrans-63.4-43.3173.858.90000111.8T631 L632 I633 A638 C639T631-T635 HydrophobicContact CG2-CG2 4.47Å; T631-T635 VanDerWaalsContact O-CG2 3.3Å; T631-T635 WeakPolarHBondContact O-CG2 3.33Å; T631-T635 PolarHBondContact O-N 3.27Å; T631-T635 PolarHBondContact O-OG1 3.15Å; L632-T635 WeakPolarHBondContact CA-OG1 3.4Å; L632-T635 PolarHBondContact O-N 3.48Å; L632-T635 PolarHBondContact O-OG1 2.96Å; I633-T635 VanDerWaalsContact C-N 3.32Å; I633-T635 PolarHBondContact O-N 2.94Å; T635-A638 PolarHBondContact O-N 3.49Å; T635-C639 WeakPolarHBondContact O-CB 3.47Å; T635-C639 PolarHBondContact O-N 3.21Å; T635-C639 PolarHBondContact O-SG 3.29Å
636L94.9Very high92.1Very high46 Ų4657.6 Ų57.624%0.24134%0.337CS..Hα-helixtrans-64.2-44176-70.4171.7000111.9M20 V24 L632 I633 A638 C639 S640M20-L636 HydrophobicContact CE-CB 4.08Å; M20-L636 HydrophobicContact SD-CB 4.12Å; V24-L636 HydrophobicContact CG1-CD1 4.24Å; V24-L636 HydrophobicContact CG2-CD1 3.77Å; L632-L636 HydrophobicContact CG-CD1 4.49Å; L632-L636 WeakPolarHBondContact O-CG 3.37Å; L632-L636 PolarHBondContact O-N 3.42Å; I633-L636 PolarHBondContact O-N 2.89Å; L636-A638 PolarHBondContact O-N 3.49Å; L636-C639 PolarHBondContact O-N 3.16Å; L636-S640 PolarHBondContact O-N 3.49Å; L636-S640 PolarHBondContact O-OG 2.89Å
637L94.4Very high92.2Very high36 Ų3658.5 Ų58.519%0.18833%0.329CS..Hα-helixtrans-61.5-42.8176-70.9172.4000111.9L17 M20 V21 P490 I633 W634 S640 A641L17-L637 HydrophobicContact CD2-CD2 4.06Å; M20-L637 HydrophobicContact CE-CD2 3.59Å; M20-L637 HydrophobicContact CE-CG 4.05Å; V21-L637 HydrophobicContact CG2-CD1 4.41Å; V21-L637 HydrophobicContact CG2-CD2 4.46Å; P490-L637 HydrophobicContact CG-CD1 4.29Å; I633-L637 HydrophobicContact CG2-CD1 3.95Å; I633-L637 HydrophobicContact CG2-CG 4.39Å; I633-L637 WeakPolarHBondContact O-CG 3.28Å; I633-L637 PolarHBondContact O-N 3.4Å; W634-L637 HydrophobicContact CE3-CD1 4.23Å; W634-L637 HydrophobicContact CZ3-CD1 4.45Å; W634-L637 PolarHBondContact O-N 3.44Å; L637-S640 PolarHBondContact O-N 2.87Å; L637-A641 WeakPolarHBondContact O-CB 3.29Å; L637-A641 PolarHBondContact O-N 2.89Å
638A94.5Very high91.9Very high55 Ų5558 Ų5846%0.45534%0.335SS..Hα-helixtrans-64.1-44.4176.600000111.5W634 T635 L636 S640 A641 T642W634-A638 VanDerWaalsContact O-CB 3.27Å; W634-A638 WeakPolarHBondContact O-CB 3.4Å; W634-A638 PolarHBondContact O-N 2.96Å; T635-A638 PolarHBondContact O-N 3.49Å; L636-A638 PolarHBondContact O-N 3.49Å; A638-S640 PolarHBondContact O-N 3.34Å; A638-A641 PolarHBondContact O-N 3.31Å; A638-T642 WeakPolarHBondContact O-CG2 3.38Å; A638-T642 PolarHBondContact O-N 2.88Å; A638-T642 PolarHBondContact O-OG1 3.21Å
639C93.7Very high91.7Very high78 Ų7860.6 Ų60.653%0.52735%0.346SS..Hα-helixtrans-61.7-41175.2-71.90000112.5T635 L636 T642 F643T635-C639 WeakPolarHBondContact O-CB 3.47Å; T635-C639 PolarHBondContact O-N 3.21Å; T635-C639 PolarHBondContact O-SG 3.29Å; L636-C639 PolarHBondContact O-N 3.16Å; C639-T642 WeakPolarHBondContact CA-OG1 3.5Å; C639-T642 PolarHBondContact O-OG1 2.89Å; C639-F643 WeakPolarHBondContact O-CB 3.47Å; C639-F643 PolarHBondContact O-N 3.41Å
640S92.1Very high91.5Very high5 Ų567.7 Ų67.74%0.03537%0.372CS..Hα-helixtrans-65.2-41.5174.8-64.30000111.7L90 L636 L637 A638 F643 C644L90-S640 WeakPolarHBondContact CD1-OG 3.39Å; L636-S640 PolarHBondContact O-N 3.49Å; L636-S640 PolarHBondContact O-OG 2.89Å; L637-S640 PolarHBondContact O-N 2.87Å; A638-S640 PolarHBondContact O-N 3.34Å; S640-F643 PolarHBondContact O-N 3.4Å; S640-C644 WeakPolarHBondContact O-CB 3.47Å; S640-C644 PolarHBondContact O-N 2.87Å; S640-C644 PolarHBondContact O-SG 3.46Å
641A91.7Very high91Very high59 Ų5968.8 Ų68.849%0.48838%0.38SS..Hα-helixtrans-64.3-43.4177.700000112.2L637 A638 C644 L645L637-A641 WeakPolarHBondContact O-CB 3.29Å; L637-A641 PolarHBondContact O-N 2.89Å; A638-A641 PolarHBondContact O-N 3.31Å; A641-C644 PolarHBondContact O-N 3.42Å; A641-L645 WeakPolarHBondContact O-CB 3.31Å; A641-L645 PolarHBondContact O-N 2.91Å
642T92.1Very high90.3Very high81 Ų8173 Ų7350%0.49739%0.393SS..Hα-helixtrans-65.6-41.4176.654.60000111.5A638 C639 L645 L646A638-T642 WeakPolarHBondContact O-CG2 3.38Å; A638-T642 PolarHBondContact O-N 2.88Å; A638-T642 PolarHBondContact O-OG1 3.21Å; C639-T642 WeakPolarHBondContact CA-OG1 3.5Å; C639-T642 PolarHBondContact O-OG1 2.89Å; T642-L645 PolarHBondContact O-N 3.1Å; T642-L646 WeakPolarHBondContact O-CB 3.48Å; T642-L646 VanDerWaalsContact O-CG 3.3Å; T642-L646 WeakPolarHBondContact O-CG 3.32Å; T642-L646 PolarHBondContact O-N 3.43Å
643F91.7Very high89.3Confident90 Ų9076.1 Ų76.140%0.39541%0.41SS..Hα-helixtrans-59.6-48.3174.3-177.9-89.6000111.9L94 C639 S640 L645 L646 Q647L94-F643 HydrophobicContact CB-CD1 4.21Å; L94-F643 HydrophobicContact CB-CE1 4.06Å; L94-F643 HydrophobicContact CD2-CB 4.08Å; L94-F643 HydrophobicContact CD2-CD1 3.6Å; L94-F643 HydrophobicContact CD2-CE1 4.31Å; L94-F643 HydrophobicContact CD2-CG 4Å; L94-F643 HydrophobicContact CG-CD1 4.35Å; C639-F643 WeakPolarHBondContact O-CB 3.47Å; C639-F643 PolarHBondContact O-N 3.41Å; S640-F643 PolarHBondContact O-N 3.4Å; F643-L645 VanDerWaalsContact C-N 3.3Å; F643-L645 PolarHBondContact O-N 3.41Å; F643-L646 PolarHBondContact O-N 3.48Å; F643-Q647 WeakPolarHBondContact O-CB 3.32Å; F643-Q647 PolarHBondContact O-N 3.4Å
644C87.9Confident88.3Confident42 Ų4283.2 Ų83.228%0.28444%0.436SS..Hα-helixtrans-61.3-39177.1-70.40000112.2S640 A641 Q647 G648S640-C644 WeakPolarHBondContact O-CB 3.47Å; S640-C644 PolarHBondContact O-N 2.87Å; S640-C644 PolarHBondContact O-SG 3.46Å; A641-C644 PolarHBondContact O-N 3.42Å; C644-Q647 PolarHBondContact O-N 3.17Å; C644-G648 PolarHBondContact O-N 2.9Å
645L88.7Confident87Confident114 Ų11482.5 Ų82.560%0.59744%0.439SS*.Hα-helixtrans-65-45.7176.7-174.7125.9000111.6A641 T642 F643 G648 L649A641-L645 WeakPolarHBondContact O-CB 3.31Å; A641-L645 PolarHBondContact O-N 2.91Å; T642-L645 PolarHBondContact O-N 3.1Å; F643-L645 VanDerWaalsContact C-N 3.3Å; F643-L645 PolarHBondContact O-N 3.41Å; L645-G648 PolarHBondContact O-N 3.48Å; L645-L649 HydrophobicContact CD2-CD1 3.87Å; L645-L649 HydrophobicContact CG-CD1 4.48Å; L645-L649 WeakPolarHBondContact O-CG 3.46Å; L645-L649 PolarHBondContact O-N 2.77Å
646L89.9Confident85.7Confident113 Ų11381.9 Ų81.959%0.59244%0.44SS*.Hα-helixtrans-62.8-41.9176.5-71.3172.5000112T642 F643 G648 L649 R650T642-L646 WeakPolarHBondContact O-CB 3.48Å; T642-L646 VanDerWaalsContact O-CG 3.3Å; T642-L646 WeakPolarHBondContact O-CG 3.32Å; T642-L646 PolarHBondContact O-N 3.43Å; F643-L646 PolarHBondContact O-N 3.48Å; L646-G648 VanDerWaalsContact C-N 3.33Å; L646-G648 PolarHBondContact O-N 3.26Å; L646-L649 PolarHBondContact O-N 2.72Å; L646-R650 WeakPolarHBondContact O-CB 3.03Å; L646-R650 PolarHBondContact O-N 2.95Å
647Q86.4Confident84.3Confident66 Ų6685.7 Ų85.731%0.30846%0.457SS..Hα-helixtrans-63.8-40.6175.6-168-179.422.100111.5F643 C644 R650 N651F643-Q647 WeakPolarHBondContact O-CB 3.32Å; F643-Q647 PolarHBondContact O-N 3.4Å; C644-Q647 PolarHBondContact O-N 3.17Å; Q647-R650 PolarHBondContact O-N 2.78Å; Q647-N651 PolarHBondContact O-N 3.35Å
648G84Confident82.8Confident43 Ų4389.9 Ų89.944%0.44348%0.475SS..Hα-helixtrans-61.6-44.4174.600000112.7C644 L645 L646 N651 K652C644-G648 PolarHBondContact O-N 2.9Å; L645-G648 PolarHBondContact O-N 3.48Å; L646-G648 VanDerWaalsContact C-N 3.33Å; L646-G648 PolarHBondContact O-N 3.26Å; G648-N651 PolarHBondContact O-N 3.02Å; G648-K652 PolarHBondContact O-N 3.41Å
649L86Confident81.4Confident93 Ų9391 Ų9149%0.48748%0.477SS..Hα-helixtrans-64.2-43.4175.7-70.3172.2000112L645 L646 N651 K652 N653L645-L649 HydrophobicContact CD2-CD1 3.87Å; L645-L649 HydrophobicContact CG-CD1 4.48Å; L645-L649 WeakPolarHBondContact O-CG 3.46Å; L645-L649 PolarHBondContact O-N 2.77Å; L646-L649 PolarHBondContact O-N 2.72Å; L649-N651 PolarHBondContact O-N 3.43Å; L649-K652 PolarHBondContact O-N 3.34Å; L649-N653 PolarHBondContact O-N 2.94Å
650R87.7Confident79.7Confident152 Ų15289.7 Ų89.757%0.57447%0.472SS*.Hα-helixtrans-61.4-43177.3-169.517875172.44.6112.1L646 Q647 K652 N653 R654L646-R650 WeakPolarHBondContact O-CB 3.03Å; L646-R650 PolarHBondContact O-N 2.95Å; Q647-R650 PolarHBondContact O-N 2.78Å; R650-K652 VanDerWaalsContact C-N 3.34Å; R650-N653 PolarHBondContact O-N 3.36Å; R650-R654 WeakPolarHBondContact O-CG 3.44Å; R650-R654 PolarHBondContact O-N 3.25Å
651N82.7Confident78.5Confident71 Ų7194 Ų9438%0.3850%0.498SS..Hα-helixtrans-67.5-35.7177.9-73.1-2000111.7Q647 G648 L649 R654 H655Q647-N651 PolarHBondContact O-N 3.35Å; G648-N651 PolarHBondContact O-N 3.02Å; L649-N651 PolarHBondContact O-N 3.43Å; N651-R654 PolarHBondContact O-N 3.01Å; N651-H655 PolarHBondContact O-CD2 3.4Å; N651-H655 VanDerWaalsContact O-CD2 3.27Å; N651-H655 PolarHBondContact O-N 3.15Å
652K79.3Confident76.9Confident150 Ų15095.4 Ų95.465%0.65250%0.5SS*.Hα-helixtrans-63.9-43.4174.2-171.4-177.9176.7-173.30111.7G648 L649 R650 H655 A656G648-K652 PolarHBondContact O-N 3.41Å; L649-K652 PolarHBondContact O-N 3.34Å; R650-K652 VanDerWaalsContact C-N 3.34Å; K652-H655 PolarHBondContact O-N 2.99Å; K652-A656 PolarHBondContact O-N 2.84Å
653N73.6Confident75Confident96 Ų9696.9 Ų96.951%0.51351%0.505SS..Hα-helixtrans-64.5-43.1177.2-73.75.5000111.9L649 R650 H655 A656 E657L649-N653 PolarHBondContact O-N 2.94Å; R650-N653 PolarHBondContact O-N 3.36Å; N653-H655 VanDerWaalsContact C-N 3.32Å; N653-H655 PolarHBondContact O-N 2.89Å; N653-A656 PolarHBondContact O-N 3.08Å; N653-A656 VanDerWaalsContact O-N 3.14Å; N653-E657 WeakPolarHBondContact O-CG 3.47Å; N653-E657 PolarHBondContact O-N 3.32Å
654R73.9Confident73.2Confident151 Ų15198.8 Ų98.857%0.5752%0.515SS*.Hα-helixtrans-60-40.7174.4-72.8179.6110.5-174.24.1112.5R650 N651 E657 Q658R650-R654 WeakPolarHBondContact O-CG 3.44Å; R650-R654 PolarHBondContact O-N 3.25Å; N651-R654 PolarHBondContact O-N 3.01Å; R654-E657 PolarHBondContact O-N 3.08Å; R654-Q658 WeakPolarHBondContact O-CB 3.5Å; R654-Q658 WeakPolarHBondContact O-CG 3.29Å; R654-Q658 PolarHBondContact O-N 2.94Å
655H67.9Low71.4Confident124 Ų12499.6 Ų99.657%0.57453%0.525SS*.Hα-helixtrans-66.6-37.6174.9-82.2-55000112.6N651 K652 N653 Q658 T659N651-H655 PolarHBondContact O-CD2 3.4Å; N651-H655 VanDerWaalsContact O-CD2 3.27Å; N651-H655 PolarHBondContact O-N 3.15Å; K652-H655 PolarHBondContact O-N 2.99Å; N653-H655 VanDerWaalsContact C-N 3.32Å; N653-H655 PolarHBondContact O-N 2.89Å; H655-Q658 PolarHBondContact O-N 3.31Å; H655-T659 PolarHBondContact O-N 3.3Å; H655-T659 PolarHBondContact O-OG1 3Å
656A67.3Low69.6Low54 Ų5497 Ų9745%0.44652%0.519SS..Hα-helixtrans-67.1-39.7175.200000112.2K652 N653 T659 A660K652-A656 PolarHBondContact O-N 2.84Å; N653-A656 PolarHBondContact O-N 3.08Å; N653-A656 VanDerWaalsContact O-N 3.14Å; A656-T659 WeakPolarHBondContact CA-OG1 3.48Å; A656-T659 PolarHBondContact O-N 2.92Å; A656-T659 PolarHBondContact O-OG1 2.95Å; A656-A660 WeakPolarHBondContact O-CB 3.24Å; A656-A660 PolarHBondContact O-N 3.09Å
657E66Low67.6Low127 Ų12799.2 Ų99.259%0.59353%0.527SS*.Hα-helixtrans-65.5-43.3173.5-74.6167.9-175.900111.3N653 R654 T659 A660 V661N653-E657 WeakPolarHBondContact O-CG 3.47Å; N653-E657 PolarHBondContact O-N 3.32Å; R654-E657 PolarHBondContact O-N 3.08Å; E657-T659 PolarHBondContact O-N 3.38Å; E657-A660 PolarHBondContact O-N 3.12Å; E657-V661 VanDerWaalsContact O-CG2 3.25Å; E657-V661 WeakPolarHBondContact O-CG2 3.39Å; E657-V661 PolarHBondContact O-N 3.47Å
658Q62.8Low65.8Low123 Ų123104.7 Ų104.758%0.57555%0.55SS*.Hα-helixtrans-64.4-38.5176.2-78.1177.4-26.200112.8R654 H655 T662R654-Q658 WeakPolarHBondContact O-CB 3.5Å; R654-Q658 WeakPolarHBondContact O-CG 3.29Å; R654-Q658 PolarHBondContact O-N 2.94Å; H655-Q658 PolarHBondContact O-N 3.31Å; Q658-T662 PolarHBondContact O-N 2.98Å; Q658-T662 VanDerWaalsContact O-N 3.11Å; Q658-T662 PolarHBondContact O-OG1 2.89Å
659T64.4Low64.1Low79 Ų79108.4 Ų108.449%0.48556%0.564SS.*Hα-helixtrans-69.7-39.817528.30000111.9H655 A656 E657 V661 T662 D663H655-T659 PolarHBondContact O-N 3.3Å; H655-T659 PolarHBondContact O-OG1 3Å; A656-T659 WeakPolarHBondContact CA-OG1 3.48Å; A656-T659 PolarHBondContact O-N 2.92Å; A656-T659 PolarHBondContact O-OG1 2.95Å; E657-T659 PolarHBondContact O-N 3.38Å; T659-V661 PolarHBondContact O-N 3.46Å; T659-T662 WeakPolarHBondContact CA-OG1 3.39Å; T659-T662 PolarHBondContact O-N 2.71Å; T659-T662 PolarHBondContact O-OG1 3.15Å; T659-T662 VanDerWaalsContact O-OG1 3.12Å; T659-D663 PolarHBondContact O-N 3.43Å
660A58.5Low62Low51 Ų51110.6 Ų110.642%0.42158%0.576SS.*Hα-helixtrans-64-38.4174.900000112.9A656 E657 D663 E664A656-A660 WeakPolarHBondContact O-CB 3.24Å; A656-A660 PolarHBondContact O-N 3.09Å; E657-A660 PolarHBondContact O-N 3.12Å; A660-D663 PolarHBondContact O-N 3.37Å; A660-E664 WeakPolarHBondContact O-CB 3.46Å; A660-E664 PolarHBondContact O-N 3.33Å
661V65.1Low59.6Low96 Ų96110.6 Ų110.658%0.58259%0.587SS**Hα-helixtrans-70.3-32.5176.4172.90000111.9E657 T659 A665E657-V661 VanDerWaalsContact O-CG2 3.25Å; E657-V661 WeakPolarHBondContact O-CG2 3.39Å; E657-V661 PolarHBondContact O-N 3.47Å; T659-V661 PolarHBondContact O-N 3.46Å; V661-A665 VanDerWaalsContact O-CB 3.29Å; V661-A665 WeakPolarHBondContact O-CB 3.4Å; V661-A665 PolarHBondContact O-N 3.45Å
662T58.3Low57.8Low88 Ų88112.6 Ų112.654%0.5460%0.604SS.*Hα-helixtrans-73.9-36.317423.40000112.2Q658 T659 A665 A666Q658-T662 PolarHBondContact O-N 2.98Å; Q658-T662 VanDerWaalsContact O-N 3.11Å; Q658-T662 PolarHBondContact O-OG1 2.89Å; T659-T662 WeakPolarHBondContact CA-OG1 3.39Å; T659-T662 PolarHBondContact O-N 2.71Å; T659-T662 PolarHBondContact O-OG1 3.15Å; T659-T662 VanDerWaalsContact O-OG1 3.12Å; T662-A665 PolarHBondContact O-N 3.05Å; T662-A666 PolarHBondContact O-N 3.18Å
663D53.6Low55.6Low112 Ų112112.3 Ų112.360%0.59961%0.61SS**Hα-helixtrans-69.2-39.9174.2-72.1-22.7000111.9T659 A660 A665 A666 E667T659-D663 PolarHBondContact O-N 3.43Å; A660-D663 PolarHBondContact O-N 3.37Å; D663-A665 VanDerWaalsContact C-N 3.34Å; D663-A665 PolarHBondContact O-N 3.47Å; D663-A666 PolarHBondContact O-N 3.31Å; D663-E667 PolarHBondContact O-N 2.94Å
664E52.4Low53.7Low130 Ų130116.5 Ų116.561%0.60763%0.626SS**Hα-helixtrans-68.3-29.8173.5-81.5-173.3170.300113.2A660 K668A660-E664 WeakPolarHBondContact O-CB 3.46Å; A660-E664 PolarHBondContact O-N 3.33Å; E664-K668 PolarHBondContact O-N 2.87Å
665A51.7Low51.6Low58 Ų58113.3 Ų113.348%0.47964%0.64SS.*Hα-helixtrans-73.2-33.4173.400000111.8V661 T662 D663V661-A665 VanDerWaalsContact O-CB 3.29Å; V661-A665 WeakPolarHBondContact O-CB 3.4Å; V661-A665 PolarHBondContact O-N 3.45Å; T662-A665 PolarHBondContact O-N 3.05Å; D663-A665 VanDerWaalsContact C-N 3.34Å; D663-A665 PolarHBondContact O-N 3.47Å
666A49.9Very low49.8Very low59 Ų59111.4 Ų111.449%0.48865%0.654SS.*Hα-helixtrans-70.5-39.1173.700000112.3T662 D663 K668 V669T662-A666 PolarHBondContact O-N 3.18Å; D663-A666 PolarHBondContact O-N 3.31Å; A666-K668 VanDerWaalsContact C-N 3.28Å; A666-K668 PolarHBondContact O-N 2.87Å; A666-V669 PolarHBondContact O-N 3.39Å
667E47.7Very low47.9Very low161 Ų161116.5 Ų116.575%0.75267%0.674SS**Hα-helixtrans-68.3-20.8177-89.7-174.2160.200114.1D663D663-E667 PolarHBondContact O-N 2.94Å
668K48.3Very low46.2Very low180 Ų180119.7 Ų119.778%0.78369%0.688SS**THydrogen-bonded Turntrans-84.1-6.8176.7-83.3-177.7-179.21710114.9E664 A666E664-K668 PolarHBondContact O-N 2.87Å; A666-K668 VanDerWaalsContact C-N 3.28Å; A666-K668 PolarHBondContact O-N 2.87Å
669V49.5Very low44.7Very low122 Ų122119 Ų11974%0.73970%0.697SS**THydrogen-bonded Turntrans-93-14178.6178.80000112.1A666A666-V669 PolarHBondContact O-N 3.39Å
670D41.5Very low42.9Very low139 Ų139123.5 Ų123.574%0.74372%0.718SS**  trans-103.451-178.1-79.9-27.7000113.9
671D36.6Very low41.5Very low152 Ų152125.7 Ų125.781%0.81373%0.73SS**  trans-113.9105.3168.5-152.13000110.2
672P44.8Very low39.9Very low112 Ų112128.3 Ų128.373%0.72774%0.74SS**  trans-95.7121.4-171.433.5-28.2000111.8
673N34.6Very low38.5Very low145 Ų145133 Ų13378%0.77576%0.756SS**  trans-147.7124161.2-139.315.7000114.2
674E33.3Very low37.2Very low184 Ų184133.5 Ų133.586%0.8677%0.768SS**  trans58.8123.2162.7-59.1-178.2165.900117.9
675G29.6Very low36.3Very low83 Ų83136.6 Ų136.686%0.85678%0.783SS**  cis153130.47.900000107.9
676G29.1Very low35.4Very low84 Ų84142.8 Ų142.887%0.86680%0.802SS**  trans146.6118.2169.100000116.2
677D28.9Very low34.4Very low161 Ų161148.4 Ų148.486%0.86182%0.815SS**  trans-52.7142.9-176.2-66.6-52.4000117.6
678E29.5Very low33.5Very low194 Ų194149.9 Ų149.991%0.90782%0.822SS**  175.8144.5101.6-95-171.8169.900111.5
679S32Very low32.7Very low109 Ų109145.1 Ų145.176%0.76282%0.816SS**  trans-74.6140.6-174.2550000114.6
680L27Very low31.8Very low174 Ų174146.4 Ų146.491%0.91181%0.814SS**  trans-171.4151.7137.7-98.1147.6000111.6
681S28.8Very low31.2Very low97 Ų97146.8 Ų146.868%0.67881%0.812SS**  trans-76159.3-162.249.80000117.9
682D30.3Very low30.9Very low150 Ų150146 Ų14680%0.80281%0.807SS**  trans56.999.7152.8-80.2-15.3000119.7
683H28.7Very low30.4Very low188 Ų188147.5 Ų147.587%0.8781%0.805SS**  162.5114.7128.9-93.8-56000110.4
684S27.5Very low30.1Very low122 Ų122143.6 Ų143.685%0.85379%0.788SS**  trans-162.773.6163.6260000111.8
685E33.5Very low30.1Very low194 Ų194141.7 Ų141.791%0.90778%0.78SS**SBendtrans-138.965.4155.8-84.5-167.9163.200107.9
686E32.2Very low30.4Very low188 Ų188144.8 Ų144.888%0.87977%0.77SS**SBendtrans-169.275.9168-116.5174.8-166.100107.3
687K29.3Very low30.6Very low178 Ų178145.6 Ų145.677%0.77475%0.754SS**SBendtrans-16622167.2-115.2171.1-170.2-169.60116.8
688Q28.9Very low30.7Very low191 Ų191141.6 Ų141.689%0.89374%0.735SS**SBendtrans-119.116173.6-115.1170.71.400113.2
689A31.1Very low31.1Very low80 Ų80139.2 Ų139.266%0.66172%0.724SS**SBendtrans-120.2-1.3178.100000113.9
690E30.1Very low31.3Very low150 Ų150139.1 Ų139.170%0.70172%0.715SS**SBendtrans-103.3-18.1179.9-80.6-175153.700114.3S694E690-S694 PolarHBondContact O-N 3.29Å; E690-S694 PolarHBondContact O-OG 3.08Å
691E28.9Very low31.8Very low147 Ų147137.5 Ų137.569%0.68770%0.703SS**Hα-helixtrans-79.9-28.9179.1-77.5179.1161.900113.2S694E691-S694 PolarHBondContact O-OG 3Å; E691-S694 VanDerWaalsContact O-OG 3.05Å
692D31.5Very low32.1Very low134 Ų134139.4 Ų139.472%0.71770%0.701SS**Hα-helixtrans-78-16.2177-89.9-9.6000113.6
693E33.4Very low32.5Very low145 Ų145139.3 Ų139.368%0.67870%0.696SS**Hα-helixtrans-91.6-23.4172.7-80.1-160.3160.600112.8N697E693-N697 PolarHBondContact O-ND2 3.45Å
694S29.3Very low33Very low62 Ų62137.1 Ų137.143%0.43469%0.686SS.*Hα-helixtrans-76.2-39.8177.650.70000113.5E690 E691 K696 N697 T698E690-S694 PolarHBondContact O-N 3.29Å; E690-S694 PolarHBondContact O-OG 3.08Å; E691-S694 PolarHBondContact O-OG 3Å; E691-S694 VanDerWaalsContact O-OG 3.05Å; S694-K696 VanDerWaalsContact C-N 3.27Å; S694-K696 PolarHBondContact O-N 3.39Å; S694-N697 PolarHBondContact O-N 3.3Å; S694-T698 PolarHBondContact O-N 2.88Å; S694-T698 PolarHBondContact O-OG1 3.37Å
695E33Very low33.4Very low145 Ų145138 Ų13868%0.67868%0.677SS**Hα-helixtrans-69.8-26.1-179.5-73.9-170.1158.400112.6
696K35.8Very low33.5Very low148 Ų148134.2 Ų134.264%0.64366%0.663SS**Hα-helixtrans-80.3-28.3-179.3-140.1175.2-167.91690113.8S694S694-K696 VanDerWaalsContact C-N 3.27Å; S694-K696 PolarHBondContact O-N 3.39Å
697N32.3Very low33.9Very low101 Ų101132.8 Ų132.854%0.5466%0.656SS.*Hα-helixtrans-80.2-21.2175.1-74-24.2000112.1E693 S694 E701E693-N697 PolarHBondContact O-ND2 3.45Å; S694-N697 PolarHBondContact O-N 3.3Å; N697-E701 PolarHBondContact O-N 3.49Å
698T32.6Very low34.3Very low76 Ų76132.2 Ų132.247%0.46666%0.656SS.*Hα-helixtrans-79.8-32.9178.5-16.30000112.4S694 E702S694-T698 PolarHBondContact O-N 2.88Å; S694-T698 PolarHBondContact O-OG1 3.37Å; T698-E702 PolarHBondContact O-N 2.98Å
699E36.4Very low34.5Very low145 Ų145131.2 Ų131.268%0.67865%0.649SS**Hα-helixtrans-70.7-32.4174.4-72.4-172.8158.200112.8
700D36.3Very low34.7Very low106 Ų106134.8 Ų134.857%0.56766%0.656SS**Hα-helixtrans-78.1-27178.6-78-20.3000112.6
701E37.6Very low35Very low141 Ų141134 Ų13466%0.65966%0.661SS**Hα-helixtrans-80.3-30.5175.8-77.1-176171.600113.1N697 E705N697-E701 PolarHBondContact O-N 3.49Å; E701-E705 PolarHBondContact O-N 2.87Å
702E35.1Very low35.3Very low136 Ų136130.1 Ų130.164%0.63666%0.661SS**Hα-helixtrans-74.1-23.6176.5-75.3-169.8172.200113.6T698T698-E702 PolarHBondContact O-N 2.98Å
703E39.5Very low35.6Very low148 Ų148132.3 Ų132.369%0.69267%0.667SS**Hα-helixtrans-78.3-32.8172.9-77.3-167.2162.300112.7
704E38.2Very low35.4Very low142 Ų142133 Ų13366%0.66468%0.675SS**Hα-helixtrans-74.3-31.9176.7-78.3-166.6164.800113.4
705E36.6Very low35.5Very low142 Ų142137.6 Ų137.666%0.66469%0.694SS**Hα-helixtrans-73.7-25.9175.6-88-161.9160.600113.7E701E701-E705 PolarHBondContact O-N 2.87Å
706N36Very low35.3Very low114 Ų114138.5 Ų138.561%0.6170%0.704SS**Hα-helixtrans-79.7-25.6178.2-99.4-29.8000113.4
707E40.4Very low35.1Very low158 Ų158140.2 Ų140.274%0.73871%0.714SS**Hα-helixtrans-78.5-26.5175.3-77.6-166.2154.900113.2
708Q37Very low34.9Very low165 Ų165144.7 Ų144.777%0.77173%0.732SS**Hα-helixtrans-78.8-17.7177-74.5-175.66.900114.2
709K33.9Very low34.8Very low171 Ų171149.2 Ų149.274%0.74375%0.748SS**THydrogen-bonded Turntrans-84.9-7.6178.3-93.1175.2-179.51610115.4
710L34.2Very low34.4Very low155 Ų155149.1 Ų149.181%0.81275%0.751SS**THydrogen-bonded Turntrans-101.52.4-178.4-86.5156.2000114.8
711V37.3Very low34.1Very low133 Ų133149 Ų14981%0.80675%0.754SS**SBendtrans-113.42.8-177.3-175.80000113
712G35.3Very low33.7Very low66 Ų66151.2 Ų151.268%0.6876%0.762SS**SBendtrans-120.248.7-172.700000115
713E36.7Very low33.4Very low180 Ų180153.5 Ų153.584%0.84177%0.769SS**  trans-156.3100.3166.7-112.4174.2-166.900109.5
714N30.4Very low32.9Very low159 Ų159152.1 Ų152.185%0.8577%0.767SS**  trans149.785.9149.7-75.8-28.7000110.2
715D30.1Very low32.6Very low158 Ų158153.1 Ų153.185%0.84577%0.771SS**  trans-149.7104.9146.6-93.9-25.6000106.1
716D30.2Very low32.4Very low165 Ų165152.3 Ų152.388%0.88277%0.772SS**  trans-176.7142139.3-88.7-27.6000110.3
717E30.2Very low32.2Very low183 Ų183154.1 Ų154.186%0.85578%0.776SS**  trans86.190.2173.5-54.5-171.5170.200117.9
718E29.2Very low31.9Very low195 Ų195152.5 Ų152.591%0.91177%0.772SS**  -172.5131.292-102.5-174.3170.100112.6
719E29.3Very low31.9Very low171 Ų171152.9 Ų152.980%0.79977%0.774SS**  trans-77.3146.2178.4-149.6-179.4-156.900110.4
720L28.1Very low31.9Very low144 Ų144149.3 Ų149.375%0.75477%0.771SS**  trans140.9119.2132.1-77.4158000116.6
721V30.3Very low32.1Very low103 Ų103155 Ų15562%0.62479%0.789SS**  109110.6126.6170.40000119.8
722K29.2Very low31.8Very low188 Ų188156.1 Ų156.182%0.81779%0.789SS**  trans78.2113.2146-73.2166.3-167.8173.30118.4
723K29Very low31.6Very low184 Ų184160.8 Ų160.880%0.879%0.794SS**  84130.268.5-108.3-164.8170.7-168.70114.3
724D29.8Very low31.3Very low119 Ų119159.7 Ų159.764%0.63679%0.792SS**  trans90.598.2151-56.2-17.6000118.6
725E32.3Very low31.4Very low162 Ų162159.8 Ų159.876%0.75779%0.788SS**  56128.6111.3-77.3-172.5174.400121.9
726N31.1Very low31.5Very low126 Ų126159.9 Ų159.967%0.67479%0.785SS**  trans95.2125.1131.9-74.5-21000121.8
727H31.5Very low31.6Very low152 Ų152159.5 Ų159.570%0.70478%0.778SS**  trans78.9120.4134.3-88.3-32.9000122.3
728D35.3Very low31.7Very low123 Ų123157.9 Ų157.966%0.65877%0.773SS**  69.3129.6122.8-69.56000122.3
729E36Very low31.8Very low173 Ų173155 Ų15581%0.80876%0.762SS**  trans75.6117.3138.8-72.5-171.2167.800121.8
730S35.4Very low32.1Very low97 Ų97153.7 Ų153.768%0.67876%0.759SS**  trans66.6114.4147.380.40000118.4
731F36.8Very low32.4Very low273 Ų273154.5 Ų154.5100%1.19776%0.759SS**  -169.6087.1-109.1-85.5000111

Retrieved 731 of 731 residues in 346.1 ms (Link to these results)

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