CP2D7_HUMAN Loading...

Cytochrome P450 2D7

May be responsible for the metabolism of many drugs and environmental chemicals that it oxidizes. It may be involved in the metabolism of codeine to morphine1. However, another study could not confirm it2.

AlphaFold DB , UniProt , Accession A0A087X1C5, Species HUMAN (Homo sapiens, Human), Gene CYP2D7, Length 515 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M53.7Low77.6Confident203 Ų203103.8 Ų103.8100%159%0.594SS**  0114.50-75170.37000107.1
2G58.2Low78.8Confident51 Ų51104.6 Ų104.653%0.52659%0.593SS.*  trans-65152.8-175.800000111.9E4 A5G2-E4 PolarHBondContact O-N 3.22Å; G2-A5 PolarHBondContact O-N 3.04Å
3L68.1Low79.6Confident145 Ų145101.9 Ų101.976%0.75958%0.58SS**Hα-helixtrans-50.5-28.4178-14880000112.3A5 L6L3-A5 VanDerWaalsContact C-N 3.32Å; L3-A5 PolarHBondContact O-N 2.71Å; L3-L6 HydrophobicContact CD1-CD1 4.31Å; L3-L6 PolarHBondContact O-N 3.27Å
4E72.9Confident80.3Confident177 Ų17797.6 Ų97.683%0.82756%0.563SS**Hα-helixtrans-65-26.1177.5-59.4-158.9160.300114.8G2 P8G2-E4 PolarHBondContact O-N 3.22Å; E4-P8 WeakPolarHBondContact O-CD 3.26Å
5A75.5Confident81Confident48 Ų4897.2 Ų97.240%0.39756%0.557SS.*Hα-helixtrans-83.1-20.3176.200000112.8G2 L3G2-A5 PolarHBondContact O-N 3.04Å; L3-A5 VanDerWaalsContact C-N 3.32Å; L3-A5 PolarHBondContact O-N 2.71Å
6L81.6Confident81.6Confident91 Ų9199.3 Ų99.348%0.47656%0.557SS.*Hα-helixtrans-76-34.5-178.7-71.1168.7000112.2L3 A10L3-L6 HydrophobicContact CD1-CD1 4.31Å; L3-L6 PolarHBondContact O-N 3.27Å; L6-A10 VanDerWaalsContact O-CB 3.3Å; L6-A10 WeakPolarHBondContact O-CB 3.38Å; L6-A10 PolarHBondContact O-N 3.22Å
7V86.4Confident81.9Confident94 Ų9499.6 Ų99.657%0.5756%0.557SS**Hα-helixtrans-62.1-54.7179.91800000113L9 A10 M11V7-L9 VanDerWaalsContact C-N 3.3Å; V7-L9 PolarHBondContact O-N 3.45Å; V7-A10 PolarHBondContact O-N 2.96Å; V7-M11 WeakPolarHBondContact O-CG 3.32Å; V7-M11 PolarHBondContact O-N 3.43Å
8P88.9Confident82.2Confident66 Ų6698.8 Ų98.843%0.42955%0.551SS.*Hα-helixtrans-63.9-35.8179.424.5-33.6000112E4 M11 I12E4-P8 WeakPolarHBondContact O-CD 3.26Å; P8-M11 PolarHBondContact O-N 2.88Å; P8-I12 VanDerWaalsContact O-CG1 3.26Å; P8-I12 WeakPolarHBondContact O-CG1 3.37Å; P8-I12 PolarHBondContact O-N 2.83Å
9L89.3Confident82.5Confident96 Ų9698.7 Ų98.750%0.50355%0.549SS..Hα-helixtrans-63.6-46.4175.4-177.563.2000111.5V7 M11 I12 V13V7-L9 VanDerWaalsContact C-N 3.3Å; V7-L9 PolarHBondContact O-N 3.45Å; L9-M11 VanDerWaalsContact C-N 3.3Å; L9-M11 PolarHBondContact O-N 3.39Å; L9-I12 PolarHBondContact O-N 3.22Å; L9-V13 HydrophobicContact CD1-CG2 4.5Å; L9-V13 VanDerWaalsContact O-CG2 3.32Å; L9-V13 WeakPolarHBondContact O-CG2 3.17Å; L9-V13 PolarHBondContact O-N 3.26Å
10A88.7Confident82.6Confident61 Ų6196.1 Ų96.150%0.50454%0.535SS..Hα-helixtrans-60.8-39.7176.100000111.8L6 V7 V13 A14L6-A10 VanDerWaalsContact O-CB 3.3Å; L6-A10 WeakPolarHBondContact O-CB 3.38Å; L6-A10 PolarHBondContact O-N 3.22Å; V7-A10 PolarHBondContact O-N 2.96Å; A10-V13 PolarHBondContact O-N 3.11Å; A10-A14 VanDerWaalsContact O-CB 3.3Å; A10-A14 WeakPolarHBondContact O-CB 3.45Å; A10-A14 PolarHBondContact O-N 2.92Å
11M90.7Very high82.7Confident110 Ų11091.9 Ų91.954%0.54251%0.512SS..Hα-helixtrans-65.1-44.2175.4-72.3-61-64.100112.4V7 P8 L9 V13 A14 I15V7-M11 WeakPolarHBondContact O-CG 3.32Å; V7-M11 PolarHBondContact O-N 3.43Å; P8-M11 PolarHBondContact O-N 2.88Å; L9-M11 VanDerWaalsContact C-N 3.3Å; L9-M11 PolarHBondContact O-N 3.39Å; M11-V13 VanDerWaalsContact C-N 3.35Å; M11-V13 PolarHBondContact O-N 2.86Å; M11-A14 PolarHBondContact O-N 3.15Å; M11-I15 WeakPolarHBondContact O-CB 3.45Å; M11-I15 VanDerWaalsContact O-CG1 3.26Å; M11-I15 WeakPolarHBondContact O-CG1 3.3Å; M11-I15 PolarHBondContact O-N 3.04Å
12I91.1Very high84.2Confident113 Ų11386 Ų8658%0.57948%0.484SS*.Hα-helixtrans-61.7-44.9176.4-69.8164.5000110.4P8 L9 I15 F16P8-I12 VanDerWaalsContact O-CG1 3.26Å; P8-I12 WeakPolarHBondContact O-CG1 3.37Å; P8-I12 PolarHBondContact O-N 2.83Å; L9-I12 PolarHBondContact O-N 3.22Å; I12-I15 PolarHBondContact O-N 3.42Å; I12-F16 VanDerWaalsContact O-CB 3.26Å; I12-F16 WeakPolarHBondContact O-CB 3.31Å; I12-F16 PolarHBondContact O-N 3.3Å
13V90Very high85.3Confident70 Ų7090.5 Ų90.542%0.42449%0.493SS..Hα-helixtrans-62.8-43.9176.5172.40000110.7L9 A10 M11 F16 L17L9-V13 HydrophobicContact CD1-CG2 4.5Å; L9-V13 VanDerWaalsContact O-CG2 3.32Å; L9-V13 WeakPolarHBondContact O-CG2 3.17Å; L9-V13 PolarHBondContact O-N 3.26Å; A10-V13 PolarHBondContact O-N 3.11Å; M11-V13 VanDerWaalsContact C-N 3.35Å; M11-V13 PolarHBondContact O-N 2.86Å; V13-F16 PolarHBondContact O-N 3.19Å; V13-L17 HydrophobicContact CG1-CD1 3.91Å; V13-L17 HydrophobicContact CG1-CG 4.28Å; V13-L17 WeakPolarHBondContact O-CB 3.43Å; V13-L17 VanDerWaalsContact O-CG 3.23Å; V13-L17 WeakPolarHBondContact O-CG 3.36Å; V13-L17 PolarHBondContact O-N 3.32Å
14A89Confident85.8Confident42 Ų4288.2 Ų88.235%0.34748%0.478SS..Hα-helixtrans-62.4-45.2177.500000112.1A10 M11 L17 L18A10-A14 VanDerWaalsContact O-CB 3.3Å; A10-A14 WeakPolarHBondContact O-CB 3.45Å; A10-A14 PolarHBondContact O-N 2.92Å; M11-A14 PolarHBondContact O-N 3.15Å; A14-L17 PolarHBondContact O-N 3.04Å; A14-L18 WeakPolarHBondContact O-CB 3.26Å; A14-L18 VanDerWaalsContact O-CG 3.27Å; A14-L18 WeakPolarHBondContact O-CG 3.26Å; A14-L18 PolarHBondContact O-N 3.42Å
15I90.9Very high86.3Confident91 Ų9180.5 Ų80.547%0.46744%0.441SS..Hα-helixtrans-63-44.4175.8-68.5166.2000110.4M11 I12 L17 L18 L19M11-I15 WeakPolarHBondContact O-CB 3.45Å; M11-I15 VanDerWaalsContact O-CG1 3.26Å; M11-I15 WeakPolarHBondContact O-CG1 3.3Å; M11-I15 PolarHBondContact O-N 3.04Å; I12-I15 PolarHBondContact O-N 3.42Å; I15-L17 PolarHBondContact O-N 2.91Å; I15-L18 PolarHBondContact O-N 3.44Å; I15-L19 HydrophobicContact CG2-CD1 3.99Å; I15-L19 HydrophobicContact CG2-CG 4.31Å; I15-L19 WeakPolarHBondContact O-CB 3.47Å; I15-L19 WeakPolarHBondContact O-CG 3.36Å; I15-L19 PolarHBondContact O-N 3.43Å
16F90.1Very high86.6Confident130 Ų13083.5 Ų83.557%0.5745%0.447SS*.Hα-helixtrans-59.4-47.6176.7176.7-99.4000111.5I12 V13 L18 L19 V20I12-F16 VanDerWaalsContact O-CB 3.26Å; I12-F16 WeakPolarHBondContact O-CB 3.31Å; I12-F16 PolarHBondContact O-N 3.3Å; V13-F16 PolarHBondContact O-N 3.19Å; F16-L18 VanDerWaalsContact C-N 3.33Å; F16-L18 PolarHBondContact O-N 3.17Å; F16-L19 PolarHBondContact O-N 3.24Å; F16-V20 HydrophobicContact CD1-CG2 4.31Å; F16-V20 HydrophobicContact CE1-CG2 3.91Å; F16-V20 HydrophobicContact CE2-CG2 4.16Å; F16-V20 HydrophobicContact CZ-CG2 3.83Å; F16-V20 VanDerWaalsContact O-CG2 3.3Å; F16-V20 WeakPolarHBondContact O-CG2 3.36Å; F16-V20 PolarHBondContact O-N 3.44Å
17L87.4Confident86.3Confident106 Ų10682.1 Ų82.156%0.55544%0.438SS*.Hα-helixtrans-62.2-40176.6-69.7174000111.9V13 A14 I15 V20 D21V13-L17 HydrophobicContact CG1-CD1 3.91Å; V13-L17 HydrophobicContact CG1-CG 4.28Å; V13-L17 WeakPolarHBondContact O-CB 3.43Å; V13-L17 VanDerWaalsContact O-CG 3.23Å; V13-L17 WeakPolarHBondContact O-CG 3.36Å; V13-L17 PolarHBondContact O-N 3.32Å; A14-L17 PolarHBondContact O-N 3.04Å; I15-L17 PolarHBondContact O-N 2.91Å; L17-V20 PolarHBondContact O-N 3.36Å; L17-D21 WeakPolarHBondContact O-CB 3.34Å; L17-D21 PolarHBondContact O-N 3.04Å
18L87.7Confident85.9Confident85 Ų8579.6 Ų79.645%0.44542%0.419SS..Hα-helixtrans-65.2-41175-75.7168.7000112.2A14 I15 F16 D21 L22 P41A14-L18 WeakPolarHBondContact O-CB 3.26Å; A14-L18 VanDerWaalsContact O-CG 3.27Å; A14-L18 WeakPolarHBondContact O-CG 3.26Å; A14-L18 PolarHBondContact O-N 3.42Å; I15-L18 PolarHBondContact O-N 3.44Å; F16-L18 VanDerWaalsContact C-N 3.33Å; F16-L18 PolarHBondContact O-N 3.17Å; L18-D21 WeakPolarHBondContact O-CB 3.35Å; L18-D21 PolarHBondContact O-N 2.7Å; L18-L22 WeakPolarHBondContact O-CB 3.35Å; L18-L22 VanDerWaalsContact O-CG 3.25Å; L18-L22 WeakPolarHBondContact O-CG 3.31Å; L18-L22 PolarHBondContact O-N 2.98Å; L18-P41 HydrophobicContact CD2-CB 3.96Å
19L88.4Confident85.4Confident96 Ų9684.1 Ų84.150%0.50343%0.427SS..Hα-helixtrans-65.6-44.4176.3-72.6173.3000111.3I15 F16 D21 L22 M23I15-L19 HydrophobicContact CG2-CD1 3.99Å; I15-L19 HydrophobicContact CG2-CG 4.31Å; I15-L19 WeakPolarHBondContact O-CB 3.47Å; I15-L19 WeakPolarHBondContact O-CG 3.36Å; I15-L19 PolarHBondContact O-N 3.43Å; F16-L19 PolarHBondContact O-N 3.24Å; L19-D21 VanDerWaalsContact C-N 3.29Å; L19-D21 PolarHBondContact O-N 2.98Å; L19-L22 PolarHBondContact O-N 2.69Å; L19-M23 WeakPolarHBondContact O-CB 3.34Å; L19-M23 VanDerWaalsContact O-CG 3.27Å; L19-M23 WeakPolarHBondContact O-CG 3.39Å; L19-M23 PolarHBondContact O-N 3.15Å
20V84.3Confident85Confident46 Ų4681 Ų8128%0.27942%0.415SS..Hα-helixtrans-59.8-42.8174.2170.50000110.6F16 L17 M23 H24F16-V20 HydrophobicContact CD1-CG2 4.31Å; F16-V20 HydrophobicContact CE1-CG2 3.91Å; F16-V20 HydrophobicContact CE2-CG2 4.16Å; F16-V20 HydrophobicContact CZ-CG2 3.83Å; F16-V20 VanDerWaalsContact O-CG2 3.3Å; F16-V20 WeakPolarHBondContact O-CG2 3.36Å; F16-V20 PolarHBondContact O-N 3.44Å; L17-V20 PolarHBondContact O-N 3.36Å; V20-M23 PolarHBondContact O-N 2.98Å; V20-H24 PolarHBondContact O-CD2 3.15Å; V20-H24 PolarHBondContact O-N 2.94Å
21D84.1Confident84.8Confident8 Ų881.9 Ų81.94%0.04342%0.422CS..Hα-helixtrans-62.3-45.9176.4-172.161.1000112L17 L18 L19 M23 H24 R25 G42L17-D21 WeakPolarHBondContact O-CB 3.34Å; L17-D21 PolarHBondContact O-N 3.04Å; L18-D21 WeakPolarHBondContact O-CB 3.35Å; L18-D21 PolarHBondContact O-N 2.7Å; L19-D21 VanDerWaalsContact C-N 3.29Å; L19-D21 PolarHBondContact O-N 2.98Å; D21-M23 PolarHBondContact O-N 3.07Å; D21-H24 PolarHBondContact O-N 3.17Å; D21-R25 WeakPolarHBondContact O-CB 3.49Å; D21-R25 VanDerWaalsContact O-CG 3.23Å; D21-R25 WeakPolarHBondContact O-CG 3.33Å; D21-R25 PolarHBondContact O-N 2.89Å; D21-R25 IonicContact OD1-CZ 3.86Å; D21-R25 VanDerWaalsContact OD1-CZ 3.23Å; D21-R25 IonicContact OD1-NE 3.93Å; D21-R25 PolarHBondContact OD1-NE 2.9Å; D21-R25 IonicContact OD1-NH2 2.95Å; D21-R25 PolarHBondContact OD1-NH2 3.33Å; D21-R25 IonicContact OD2-CZ 3.73Å; D21-R25 IonicContact OD2-NE 2.76Å; D21-R25 PolarHBondContact OD2-NE 2.96Å; D21-R25 IonicContact OD2-NH2 2.68Å; D21-G42 VanDerWaalsContact CG-N 3.26Å; D21-G42 WeakPolarHBondContact OD1-CA 3.17Å; D21-G42 PolarHBondContact OD1-N 2.98Å; D21-G42 PolarHBondContact OD2-N 2.92Å
22L85Confident84.9Confident80 Ų8083.6 Ų83.642%0.41942%0.423SS..Hα-helixtrans-62.5-40.9175.3-73.4167.9000112L18 L19 H24 R25 H26 W29L18-L22 WeakPolarHBondContact O-CB 3.35Å; L18-L22 VanDerWaalsContact O-CG 3.25Å; L18-L22 WeakPolarHBondContact O-CG 3.31Å; L18-L22 PolarHBondContact O-N 2.98Å; L19-L22 PolarHBondContact O-N 2.69Å; L22-H24 PolarHBondContact O-N 2.97Å; L22-R25 CarbonylContact O-C 3.52Å; L22-R25 PolarHBondContact O-N 3.41Å; L22-R25 VanDerWaalsContact O-N 3.16Å; L22-H26 PolarHBondContact O-N 2.89Å; L22-W29 HydrophobicContact CD2-CH2 4.45Å; L22-W29 HydrophobicContact CD2-CZ2 4.06Å
23M82.2Confident85.1Confident146 Ų14679.4 Ų79.472%0.71940%0.4SS*.Hα-helixtrans-60.5-44.7175.5-75.2178.467.100111.6L19 V20 D21 R25 H26L19-M23 WeakPolarHBondContact O-CB 3.34Å; L19-M23 VanDerWaalsContact O-CG 3.27Å; L19-M23 WeakPolarHBondContact O-CG 3.39Å; L19-M23 PolarHBondContact O-N 3.15Å; V20-M23 PolarHBondContact O-N 2.98Å; D21-M23 PolarHBondContact O-N 3.07Å; M23-R25 VanDerWaalsContact C-N 3.28Å; M23-R25 PolarHBondContact O-N 3.38Å; M23-H26 WeakPolarHBondContact O-CB 3.43Å; M23-H26 PolarHBondContact O-N 3.36Å
24H78Confident85.4Confident96 Ų9676.2 Ų76.244%0.44438%0.381SS..Hα-helixtrans-64.7-33.3175.3-88.9-72.7000112.7V20 D21 L22 W75V20-H24 PolarHBondContact O-CD2 3.15Å; V20-H24 PolarHBondContact O-N 2.94Å; D21-H24 PolarHBondContact O-N 3.17Å; L22-H24 PolarHBondContact O-N 2.97Å; H24-W75 AromaticContact CD2-CD1 3.96Å; H24-W75 AromaticContact CG-CD1 3.99Å
25R82.8Confident85.8Confident15 Ų1576.5 Ų76.56%0.05738%0.379CS..Hα-helixtrans-84.1-8.7-179.9-66.8174.7-162.6-72.7-17114D21 L22 M23 Q27 R28 L40 G42 Q72D21-R25 WeakPolarHBondContact O-CB 3.49Å; D21-R25 VanDerWaalsContact O-CG 3.23Å; D21-R25 WeakPolarHBondContact O-CG 3.33Å; D21-R25 PolarHBondContact O-N 2.89Å; D21-R25 IonicContact OD1-CZ 3.86Å; D21-R25 VanDerWaalsContact OD1-CZ 3.23Å; D21-R25 IonicContact OD1-NE 3.93Å; D21-R25 PolarHBondContact OD1-NE 2.9Å; D21-R25 IonicContact OD1-NH2 2.95Å; D21-R25 PolarHBondContact OD1-NH2 3.33Å; D21-R25 IonicContact OD2-CZ 3.73Å; D21-R25 IonicContact OD2-NE 2.76Å; D21-R25 PolarHBondContact OD2-NE 2.96Å; D21-R25 IonicContact OD2-NH2 2.68Å; L22-R25 CarbonylContact O-C 3.52Å; L22-R25 PolarHBondContact O-N 3.41Å; L22-R25 VanDerWaalsContact O-N 3.16Å; M23-R25 VanDerWaalsContact C-N 3.28Å; M23-R25 PolarHBondContact O-N 3.38Å; R25-Q27 PolarHBondContact O-N 2.79Å; R25-R28 WeakPolarHBondContact O-CB 3.37Å; R25-R28 PolarHBondContact O-N 2.98Å; R25-L40 PolarHBondContact NH1-O 2.96Å; R25-L40 PolarHBondContact NH2-O 2.89Å; R25-G42 PolarHBondContact NH2-O 3.2Å; R25-Q72 HydrophobicContact CG-CG 4.31Å
26H82.5Confident86Confident112 Ų11273 Ų7352%0.51937%0.366SS..G310 helixtrans-54.2-30.4-177.6179.6-75.4000113L22 M23 R28 W29L22-H26 PolarHBondContact O-N 2.89Å; M23-H26 WeakPolarHBondContact O-CB 3.43Å; M23-H26 PolarHBondContact O-N 3.36Å; H26-R28 PolarHBondContact O-N 3.38Å; H26-R28 VanDerWaalsContact O-N 3.1Å; H26-W29 HydrophobicContact CB-CE3 4.23Å; H26-W29 HydrophobicContact CB-CZ3 4.43Å; H26-W29 AromaticContact CD2-CE3 3.22Å; H26-W29 AromaticContact CD2-CZ3 3.46Å; H26-W29 VanDerWaalsContact CD2-CZ3 3.46Å; H26-W29 WeakPolarHBondContact CD2-CZ3 3.48Å; H26-W29 AromaticContact CG-CE3 3.84Å; H26-W29 AromaticContact NE2-CE3 3.83Å; H26-W29 WeakPolarHBondContact O-CB 3.23Å; H26-W29 PolarHBondContact O-N 2.85Å
27Q74.7Confident86.3Confident62 Ų6267.3 Ų67.329%0.2934%0.342SS..G310 helixtrans-54.7-30.7176.4-69.4-164.3-28.600113.1R25 W29 A30 P77 P408 K409R25-Q27 PolarHBondContact O-N 2.79Å; Q27-W29 PolarHBondContact O-N 3.49Å; Q27-A30 WeakPolarHBondContact O-CB 3.43Å; Q27-A30 PolarHBondContact O-N 3Å; Q27-P77 VanDerWaalsContact OE1-CG 3.28Å; Q27-P408 HydrophobicContact CB-CG 4.4Å; Q27-K409 PolarHBondContact NE2-O 3.47Å; Q27-K409 VanDerWaalsContact NE2-O 3.14Å
28R78.3Confident86.4Confident41 Ų4169.3 Ų69.316%0.15535%0.352CS..G310 helixtrans-70.4-16.1177.8-59.9-17564.8152.8-3.4113.4R25 H26 Y33 P37 P39 N45R25-R28 WeakPolarHBondContact O-CB 3.37Å; R25-R28 PolarHBondContact O-N 2.98Å; H26-R28 PolarHBondContact O-N 3.38Å; H26-R28 VanDerWaalsContact O-N 3.1Å; R28-Y33 HydrophobicContact CB-CD1 4.1Å; R28-Y33 HydrophobicContact CB-CE1 4.03Å; R28-Y33 HydrophobicContact CG-CD1 4.25Å; R28-Y33 HydrophobicContact CG-CE1 3.67Å; R28-P37 PolarHBondContact NH2-O 3.34Å; R28-P37 VanDerWaalsContact NH2-O 3.15Å; R28-P39 VanDerWaalsContact NH1-CG 3.31Å; R28-N45 PolarHBondContact NH1-OD1 3.2Å
29W79.3Confident86.6Confident161 Ų16166.8 Ų66.861%0.6134%0.341SS*.G310 helixtrans-83.7-0.4177.3-54.8-19.1000112.5L22 H26 Q27 A31L22-W29 HydrophobicContact CD2-CH2 4.45Å; L22-W29 HydrophobicContact CD2-CZ2 4.06Å; H26-W29 HydrophobicContact CB-CE3 4.23Å; H26-W29 HydrophobicContact CB-CZ3 4.43Å; H26-W29 AromaticContact CD2-CE3 3.22Å; H26-W29 AromaticContact CD2-CZ3 3.46Å; H26-W29 VanDerWaalsContact CD2-CZ3 3.46Å; H26-W29 WeakPolarHBondContact CD2-CZ3 3.48Å; H26-W29 AromaticContact CG-CE3 3.84Å; H26-W29 AromaticContact NE2-CE3 3.83Å; H26-W29 WeakPolarHBondContact O-CB 3.23Å; H26-W29 PolarHBondContact O-N 2.85Å; Q27-W29 PolarHBondContact O-N 3.49Å; W29-A31 PolarHBondContact O-N 2.97Å
30A79Confident86.6Confident30 Ų3065.4 Ų65.425%0.24833%0.333CS..SBendtrans-59.3136.7171.900000110.8Q27 R32 Y33 P408Q27-A30 WeakPolarHBondContact O-CB 3.43Å; Q27-A30 PolarHBondContact O-N 3Å; A30-R32 PolarHBondContact O-N 3.24Å; A30-Y33 WeakPolarHBondContact O-CB 3.43Å; A30-Y33 PolarHBondContact O-N 2.7Å; A30-Y33 VanDerWaalsContact O-N 3.14Å; A30-P408 HydrophobicContact CB-CG 4.44Å
31A86Confident86.7Confident79 Ų7967.5 Ų67.565%0.65335%0.348SS*.THydrogen-bonded Turntrans-58.1134.3174.600000110.4W29 Y33W29-A31 PolarHBondContact O-N 2.97Å; A31-Y33 VanDerWaalsContact C-N 3.27Å; A31-Y33 PolarHBondContact O-N 3.49Å
32R92.6Very high86.6Confident147 Ų14768.5 Ų68.556%0.55536%0.361SS*.THydrogen-bonded Turntrans6227.2-177.1-50.9179.9-68.8150.96.4114.1A30 E401 F405 R406A30-R32 PolarHBondContact O-N 3.24Å; R32-E401 IonicContact CZ-OE2 3.35Å; R32-E401 VanDerWaalsContact CZ-OE2 3.26Å; R32-E401 IonicContact NH1-OE1 3.59Å; R32-E401 IonicContact NH1-OE2 3.87Å; R32-E401 PolarHBondContact NH1-OE2 3.34Å; R32-E401 IonicContact NH2-OE2 3.12Å; R32-E401 PolarHBondContact NH2-OE2 3.41Å; R32-F405 CarbonylContact O-C 3.51Å; R32-F405 VanDerWaalsContact O-CA 3.22Å; R32-F405 WeakPolarHBondContact O-CA 3.48Å; R32-F405 WeakPolarHBondContact O-CB 3.49Å; R32-R406 PolarHBondContact O-N 2.88Å
33Y94.5Very high86.5Confident25 Ų2568.8 Ų68.810%0.09836%0.362CS..PPolyproline II helixtrans-61.9144.6169.1-169.2-103000110.7R28 A30 A31 S70 P408R28-Y33 HydrophobicContact CB-CD1 4.1Å; R28-Y33 HydrophobicContact CB-CE1 4.03Å; R28-Y33 HydrophobicContact CG-CD1 4.25Å; R28-Y33 HydrophobicContact CG-CE1 3.67Å; A30-Y33 WeakPolarHBondContact O-CB 3.43Å; A30-Y33 PolarHBondContact O-N 2.7Å; A30-Y33 VanDerWaalsContact O-N 3.14Å; A31-Y33 VanDerWaalsContact C-N 3.27Å; A31-Y33 PolarHBondContact O-N 3.49Å; Y33-S70 WeakPolarHBondContact CE1-OG 3.3Å; Y33-P408 HydrophobicContact CD2-CG 4.16Å; Y33-P408 HydrophobicContact CE2-CG 4.11Å
34P97.1Very high86.8Confident3 Ų361.8 Ų61.82%0.01933%0.328CS..PPolyproline II helixtrans-56.6140.2-178.5-26.132.9000113.5V68 S70 V79 F405 R406 I407P34-V68 HydrophobicContact CB-CG1 4.1Å; P34-V68 HydrophobicContact CG-CG1 3.95Å; P34-S70 WeakPolarHBondContact O-CB 3.2Å; P34-S70 PolarHBondContact O-OG 3.47Å; P34-V79 HydrophobicContact CG-CG1 4.23Å; P34-V79 HydrophobicContact CG-CG2 3.96Å; P34-F405 HydrophobicContact CB-CB 4.41Å; P34-F405 HydrophobicContact CB-CG 4.39Å; P34-F405 HydrophobicContact CG-CB 3.79Å; P34-F405 HydrophobicContact CG-CG 4.29Å; P34-R406 WeakPolarHBondContact CD-O 3.36Å; P34-I407 HydrophobicContact CG-CG1 4.24Å
35P96.7Very high87.4Confident47 Ų4757.2 Ų57.231%0.30531%0.306SS..PPolyproline II helixtrans-64.716217730.8-37.7000111.1F65 F69 S70 F405P35-F65 HydrophobicContact CB-CB 4.43Å; P35-F65 HydrophobicContact CB-CD1 4.21Å; P35-F65 HydrophobicContact CG-CB 4.24Å; P35-F65 VanDerWaalsContact CG-O 3.23Å; P35-F65 WeakPolarHBondContact CG-O 3.48Å; P35-F69 CarbonylContact O-C 3.58Å; P35-F69 WeakPolarHBondContact O-CA 3.48Å; P35-F69 VanDerWaalsContact O-CB 3.31Å; P35-F69 WeakPolarHBondContact O-CB 3.37Å; P35-S70 PolarHBondContact O-N 2.9Å; P35-S70 PolarHBondContact O-OG 2.88Å; P35-F405 VanDerWaalsContact CD-CE1 3.48Å; P35-F405 HydrophobicContact CG-CE1 4.42Å; P35-F405 HydrophobicContact CG-CZ 4.21Å
36G95.9Very high87.7Confident19 Ų1958.9 Ų58.920%0.19632%0.316CS..  trans177.1174.817800000112.3
37P94.9Very high87.9Confident10 Ų1059.6 Ų59.67%0.06532%0.323CS..PPolyproline II helixtrans-59.7144.1176.223.5-30.7000111.1R28 N45 H48 L61 F65 L71R28-P37 PolarHBondContact NH2-O 3.34Å; R28-P37 VanDerWaalsContact NH2-O 3.15Å; P37-N45 HydrophobicContact CG-CB 4.44Å; P37-N45 PolarHBondContact O-ND2 3.3Å; P37-H48 HydrophobicContact CB-CB 4.35Å; P37-H48 HydrophobicContact CG-CB 4.34Å; P37-L61 HydrophobicContact CG-CD2 4.23Å; P37-F65 HydrophobicContact CB-CE2 4.42Å; P37-F65 HydrophobicContact CB-CZ 4.35Å; P37-F65 HydrophobicContact CG-CE2 4.48Å; P37-L71 HydrophobicContact CG-CD2 3.6Å
38L91.3Very high88.7Confident148 Ų14860.3 Ų60.378%0.77533%0.326SS*.PPolyproline II helixtrans-62.6123.7177.4-170.972.6000109N45 H48L38-N45 PolarHBondContact O-ND2 3.31Å; L38-H48 PolarHBondContact O-CE1 2.6Å
39P90.6Very high89.1Confident31 Ų3158.9 Ų58.920%0.20132%0.322CS..PPolyproline II helixtrans-74141.3-178.829.5-31.9000111.1R28 N45 Q72R28-P39 VanDerWaalsContact NH1-CG 3.31Å; P39-N45 WeakPolarHBondContact CA-ND2 3.34Å; P39-Q72 HydrophobicContact CB-CB 4.36Å
40L88.8Confident89.5Confident67 Ų6754.9 Ų54.935%0.35131%0.313SS..BIsolated β-bridgetrans-74.5150.7166.1-61.2175.5000110.6R25 G42 L43 G44 L47R25-L40 PolarHBondContact NH1-O 2.96Å; R25-L40 PolarHBondContact NH2-O 2.89Å; L40-G42 PolarHBondContact O-N 2.94Å; L40-L43 HydrophobicContact CB-CB 4.5Å; L40-G44 PolarHBondContact N-O 2.97Å; L40-G44 WeakPolarHBondContact O-CA 3.35Å; L40-G44 PolarHBondContact O-N 2.94Å; L40-L47 HydrophobicContact CD1-CB 4.22Å; L40-L47 HydrophobicContact CD1-CD1 3.65Å; L40-L47 HydrophobicContact CD1-CG 4.13Å
41P85.4Confident89.7Confident90 Ų9058.6 Ų58.658%0.58432%0.323SS*.THydrogen-bonded Turntrans-56.2134.9169.8-22.432.9000111.3L18 L43L18-P41 HydrophobicContact CD2-CB 3.96Å; P41-L43 PolarHBondContact O-N 3.44Å
42G81.9Confident89.3Confident30 Ų3062.5 Ų62.531%0.30933%0.328SS..THydrogen-bonded Turntrans71-60.4-178.600000114.6D21 R25 L40 G44D21-G42 VanDerWaalsContact CG-N 3.26Å; D21-G42 WeakPolarHBondContact OD1-CA 3.17Å; D21-G42 PolarHBondContact OD1-N 2.98Å; D21-G42 PolarHBondContact OD2-N 2.92Å; R25-G42 PolarHBondContact NH2-O 3.2Å; L40-G42 PolarHBondContact O-N 2.94Å; G42-G44 VanDerWaalsContact C-N 3.35Å; G42-G44 PolarHBondContact O-N 2.76Å
43L84Confident88.9Confident85 Ų8558.5 Ų58.545%0.44532%0.318SS..THydrogen-bonded Turntrans-74.6-23.8-175.7-60.5179.8000113.4L40 P41 N45 L46 L47L40-L43 HydrophobicContact CB-CB 4.5Å; P41-L43 PolarHBondContact O-N 3.44Å; L43-N45 PolarHBondContact O-N 3.2Å; L43-L46 HydrophobicContact CD2-CD1 4.37Å; L43-L46 WeakPolarHBondContact O-CB 3.5Å; L43-L46 WeakPolarHBondContact O-CD1 3.42Å; L43-L46 WeakPolarHBondContact O-CG 3.28Å; L43-L46 PolarHBondContact O-N 2.91Å; L43-L47 HydrophobicContact CD1-CD1 4.05Å; L43-L47 HydrophobicContact CD1-CG 4.19Å
44G89.1Confident88.7Confident0 Ų058.2 Ų58.20%032%0.318CS..BIsolated β-bridgetrans59.3-124.5-172.500000113.3L40 G42 Q72L40-G44 PolarHBondContact N-O 2.97Å; L40-G44 WeakPolarHBondContact O-CA 3.35Å; L40-G44 PolarHBondContact O-N 2.94Å; G42-G44 VanDerWaalsContact C-N 3.35Å; G42-G44 PolarHBondContact O-N 2.76Å; G44-Q72 CarbonylContact C-O 3.56Å; G44-Q72 WeakPolarHBondContact CA-O 3.38Å
45N91Very high88.2Confident0 Ų059 Ų590%032%0.324CS..THydrogen-bonded Turntrans-98.112-178-59.8118.6000113R28 P37 L38 P39 L43 L47 H48 V49 L71 Q72R28-N45 PolarHBondContact NH1-OD1 3.2Å; P37-N45 HydrophobicContact CG-CB 4.44Å; P37-N45 PolarHBondContact O-ND2 3.3Å; L38-N45 PolarHBondContact O-ND2 3.31Å; P39-N45 WeakPolarHBondContact CA-ND2 3.34Å; L43-N45 PolarHBondContact O-N 3.2Å; N45-L47 VanDerWaalsContact C-N 3.26Å; N45-L47 PolarHBondContact O-N 2.97Å; N45-H48 HydrophobicContact CB-CB 4.27Å; N45-H48 WeakPolarHBondContact O-CB 3.39Å; N45-H48 PolarHBondContact O-N 3.06Å; N45-V49 PolarHBondContact O-N 3.1Å; N45-L71 HydrophobicContact CB-CB 4.44Å; N45-L71 HydrophobicContact CB-CD2 3.82Å; N45-Q72 PolarHBondContact N-O 3.36Å; N45-Q72 PolarHBondContact OD1-N 2.95Å
46L87.6Confident87.9Confident49 Ų4963 Ų6326%0.25733%0.334SS..G310 helixtrans-54.4-39.7177.6-73.8173.3000113L43 H48 F51 L73 A74L43-L46 HydrophobicContact CD2-CD1 4.37Å; L43-L46 WeakPolarHBondContact O-CB 3.5Å; L43-L46 WeakPolarHBondContact O-CD1 3.42Å; L43-L46 WeakPolarHBondContact O-CG 3.28Å; L43-L46 PolarHBondContact O-N 2.91Å; L46-H48 VanDerWaalsContact C-N 3.28Å; L46-H48 PolarHBondContact O-N 3.24Å; L46-F51 HydrophobicContact CD2-CE2 4.08Å; L46-F51 HydrophobicContact CD2-CZ 3.82Å; L46-L73 HydrophobicContact CD2-CB 4.32Å; L46-L73 HydrophobicContact CD2-CD2 4.36Å; L46-A74 HydrophobicContact CD1-CB 4.24Å
47L87.9Confident87.8Confident128 Ų12862.6 Ų62.667%0.6733%0.328SS*.G310 helixtrans-80-7.6177.8-57.5-171.9000114L40 L43 N45L40-L47 HydrophobicContact CD1-CB 4.22Å; L40-L47 HydrophobicContact CD1-CD1 3.65Å; L40-L47 HydrophobicContact CD1-CG 4.13Å; L43-L47 HydrophobicContact CD1-CD1 4.05Å; L43-L47 HydrophobicContact CD1-CG 4.19Å; N45-L47 VanDerWaalsContact C-N 3.26Å; N45-L47 PolarHBondContact O-N 2.97Å
48H89.8Confident87.8Confident77 Ų7762.3 Ų62.336%0.35633%0.325SS..G310 helixtrans-95.8-7.6179-62.587.3000112.4P37 L38 N45 L46P37-H48 HydrophobicContact CB-CB 4.35Å; P37-H48 HydrophobicContact CG-CB 4.34Å; L38-H48 PolarHBondContact O-CE1 2.6Å; N45-H48 HydrophobicContact CB-CB 4.27Å; N45-H48 WeakPolarHBondContact O-CB 3.39Å; N45-H48 PolarHBondContact O-N 3.06Å; L46-H48 VanDerWaalsContact C-N 3.28Å; L46-H48 PolarHBondContact O-N 3.24Å
49V88.6Confident87.9Confident11 Ų1157.4 Ų57.47%0.06730%0.3CS..SBendtrans-112.4122.5-177.2179.40000109.3N45 F51 T54 F58 L71 L73N45-V49 PolarHBondContact O-N 3.1Å; V49-F51 HydrophobicContact CB-CE2 4.14Å; V49-F51 HydrophobicContact CB-CZ 4.09Å; V49-F51 HydrophobicContact CG1-CD1 4.15Å; V49-F51 HydrophobicContact CG1-CD2 4.48Å; V49-F51 HydrophobicContact CG1-CE1 3.97Å; V49-F51 HydrophobicContact CG1-CE2 4.31Å; V49-F51 HydrophobicContact CG1-CG 4.41Å; V49-F51 HydrophobicContact CG1-CZ 4.06Å; V49-F51 WeakPolarHBondContact O-CD2 3.38Å; V49-F51 PolarHBondContact O-N 2.91Å; V49-T54 HydrophobicContact CG1-CG2 4.26Å; V49-F58 HydrophobicContact CG1-CE1 4.05Å; V49-F58 HydrophobicContact CG2-CE1 4.43Å; V49-L71 HydrophobicContact CG2-CD1 3.91Å; V49-L71 HydrophobicContact CG2-CD2 4.18Å; V49-L73 HydrophobicContact CG2-CD2 4.21Å
50D87.4Confident88.2Confident77 Ų7760.7 Ų60.741%0.41231%0.313SS..  trans-80.910016817614.3000109.5Q52 N53 T54 C57D50-Q52 PolarHBondContact O-N 3.08Å; D50-Q52 WeakPolarHBondContact OD1-CB 3.42Å; D50-Q52 PolarHBondContact OD1-N 2.87Å; D50-N53 CarbonylContact O-C 3.5Å; D50-N53 VanDerWaalsContact O-C 3.27Å; D50-N53 PolarHBondContact O-N 3.34Å; D50-T54 VanDerWaalsContact O-CA 3.24Å; D50-T54 WeakPolarHBondContact O-CA 3.26Å; D50-T54 PolarHBondContact O-N 3.41Å; D50-T54 PolarHBondContact O-OG1 3.07Å; D50-C57 HydrophobicContact CB-CB 4.19Å
51F82.5Confident88.6Confident107 Ų10758.3 Ų58.347%0.46930%0.3SS..G310 helixtrans-69.4-19.1179.9-68.9-77.2000113.7L46 V49 N53 T54 L73L46-F51 HydrophobicContact CD2-CE2 4.08Å; L46-F51 HydrophobicContact CD2-CZ 3.82Å; V49-F51 HydrophobicContact CB-CE2 4.14Å; V49-F51 HydrophobicContact CB-CZ 4.09Å; V49-F51 HydrophobicContact CG1-CD1 4.15Å; V49-F51 HydrophobicContact CG1-CD2 4.48Å; V49-F51 HydrophobicContact CG1-CE1 3.97Å; V49-F51 HydrophobicContact CG1-CE2 4.31Å; V49-F51 HydrophobicContact CG1-CG 4.41Å; V49-F51 HydrophobicContact CG1-CZ 4.06Å; V49-F51 WeakPolarHBondContact O-CD2 3.38Å; V49-F51 PolarHBondContact O-N 2.91Å; F51-N53 VanDerWaalsContact C-N 3.35Å; F51-T54 WeakPolarHBondContact CA-OG1 3.41Å; F51-T54 PolarHBondContact O-OG1 2.97Å; F51-L73 HydrophobicContact CZ-CD2 4.36Å
52Q78.8Confident89.1Confident162 Ų16256 Ų5676%0.75728%0.28SS*.G310 helixtrans-75.2-28.6176.8-61-63.5-30.900111.5D50D50-Q52 PolarHBondContact O-N 3.08Å; D50-Q52 WeakPolarHBondContact OD1-CB 3.42Å; D50-Q52 PolarHBondContact OD1-N 2.87Å
53N83.6Confident89.8Confident62 Ų6262.9 Ų62.933%0.33230%0.296SS..G310 helixtrans-137.656.2176.8-162.1-4.1000111.7D50 F51 P55 Y56 C57D50-N53 CarbonylContact O-C 3.5Å; D50-N53 VanDerWaalsContact O-C 3.27Å; D50-N53 PolarHBondContact O-N 3.34Å; F51-N53 VanDerWaalsContact C-N 3.35Å; N53-P55 VanDerWaalsContact C-CD 3.46Å; N53-P55 VanDerWaalsContact C-N 3.35Å; N53-Y56 VanDerWaalsContact CG-CB 3.48Å; N53-Y56 WeakPolarHBondContact ND2-CB 3.36Å; N53-Y56 PolarHBondContact O-N 3.04Å; N53-Y56 VanDerWaalsContact O-N 3.08Å; N53-Y56 WeakPolarHBondContact OD1-CB 3.34Å; N53-C57 PolarHBondContact O-N 3.12Å
54T89.6Confident90.4Very high19 Ų1968.3 Ų68.312%0.11731%0.311CS..Hα-helixtrans-53.4-43-175.4-500000113.3V49 D50 F51 Y56 C57 F58 L390V49-T54 HydrophobicContact CG1-CG2 4.26Å; D50-T54 VanDerWaalsContact O-CA 3.24Å; D50-T54 WeakPolarHBondContact O-CA 3.26Å; D50-T54 PolarHBondContact O-N 3.41Å; D50-T54 PolarHBondContact O-OG1 3.07Å; F51-T54 WeakPolarHBondContact CA-OG1 3.41Å; F51-T54 PolarHBondContact O-OG1 2.97Å; T54-Y56 VanDerWaalsContact C-N 3.35Å; T54-Y56 PolarHBondContact O-N 2.96Å; T54-C57 PolarHBondContact O-N 2.77Å; T54-F58 HydrophobicContact CG2-CD1 3.91Å; T54-F58 HydrophobicContact CG2-CD2 4.28Å; T54-F58 HydrophobicContact CG2-CE1 3.57Å; T54-F58 HydrophobicContact CG2-CE2 3.96Å; T54-F58 HydrophobicContact CG2-CG 4.26Å; T54-F58 HydrophobicContact CG2-CZ 3.6Å; T54-F58 WeakPolarHBondContact O-CB 3.49Å; T54-F58 WeakPolarHBondContact O-CG 3.49Å; T54-F58 PolarHBondContact O-N 3.28Å; T54-L390 HydrophobicContact CG2-CD1 3.5Å
55P87.6Confident90.8Very high20 Ų2070.2 Ų70.213%0.1332%0.319CS..Hα-helixtrans-59.3-41.4177.7-25.336.2000113.6N53 F58 D59 P389 V499N53-P55 VanDerWaalsContact C-CD 3.46Å; N53-P55 VanDerWaalsContact C-N 3.35Å; P55-F58 PolarHBondContact O-N 3.19Å; P55-D59 PolarHBondContact O-N 2.78Å; P55-P389 HydrophobicContact CB-CB 4.4Å; P55-P389 HydrophobicContact CG-CB 3.88Å; P55-P389 HydrophobicContact CG-CG 3.86Å; P55-V499 HydrophobicContact CG-CG1 4.29Å
56Y89.4Confident91.1Very high131 Ų13171.8 Ų71.851%0.51434%0.335SS..Hα-helixtrans-68.2-43.1177178.6-102.3000112N53 T54 F58 D59 Q60N53-Y56 VanDerWaalsContact CG-CB 3.48Å; N53-Y56 WeakPolarHBondContact ND2-CB 3.36Å; N53-Y56 PolarHBondContact O-N 3.04Å; N53-Y56 VanDerWaalsContact O-N 3.08Å; N53-Y56 WeakPolarHBondContact OD1-CB 3.34Å; T54-Y56 VanDerWaalsContact C-N 3.35Å; T54-Y56 PolarHBondContact O-N 2.96Å; Y56-F58 VanDerWaalsContact C-N 3.28Å; Y56-F58 PolarHBondContact O-N 3.46Å; Y56-D59 PolarHBondContact O-N 3Å; Y56-Q60 HydrophobicContact CE1-CG 4.34Å; Y56-Q60 VanDerWaalsContact CZ-NE2 3.29Å; Y56-Q60 PolarHBondContact O-N 2.96Å; Y56-Q60 VanDerWaalsContact O-N 3.12Å; Y56-Q60 PolarHBondContact OH-NE2 3.27Å; Y56-Q60 VanDerWaalsContact OH-NE2 3.11Å
57C93.4Very high91.6Very high10 Ų1071.8 Ų71.87%0.06834%0.336CS..Hα-helixtrans-57.8-42.8173.6-179.50000111.4D50 N53 T54 D59 Q60 L61D50-C57 HydrophobicContact CB-CB 4.19Å; N53-C57 PolarHBondContact O-N 3.12Å; T54-C57 PolarHBondContact O-N 2.77Å; C57-D59 PolarHBondContact O-N 2.9Å; C57-Q60 WeakPolarHBondContact O-CB 3.42Å; C57-Q60 PolarHBondContact O-N 3.36Å; C57-L61 WeakPolarHBondContact O-CG 2.98Å; C57-L61 PolarHBondContact O-N 3.06Å
58F95.8Very high92.1Very high4 Ų465.7 Ų65.72%0.01830%0.304CS..Hα-helixtrans-68.7-32.1178.6-76.913.4000112.7V49 T54 P55 Y56 L61 R62 F69 L71 V80 L390 I414V49-F58 HydrophobicContact CG1-CE1 4.05Å; V49-F58 HydrophobicContact CG2-CE1 4.43Å; T54-F58 HydrophobicContact CG2-CD1 3.91Å; T54-F58 HydrophobicContact CG2-CD2 4.28Å; T54-F58 HydrophobicContact CG2-CE1 3.57Å; T54-F58 HydrophobicContact CG2-CE2 3.96Å; T54-F58 HydrophobicContact CG2-CG 4.26Å; T54-F58 HydrophobicContact CG2-CZ 3.6Å; T54-F58 WeakPolarHBondContact O-CB 3.49Å; T54-F58 WeakPolarHBondContact O-CG 3.49Å; T54-F58 PolarHBondContact O-N 3.28Å; P55-F58 PolarHBondContact O-N 3.19Å; Y56-F58 VanDerWaalsContact C-N 3.28Å; Y56-F58 PolarHBondContact O-N 3.46Å; F58-L61 HydrophobicContact CD1-CD1 4.12Å; F58-L61 PolarHBondContact O-N 3.5Å; F58-R62 VanDerWaalsContact O-CB 3.31Å; F58-R62 WeakPolarHBondContact O-CB 3.3Å; F58-R62 PolarHBondContact O-N 3.08Å; F58-F69 HydrophobicContact CB-CZ 4.26Å; F58-F69 HydrophobicContact CD1-CZ 4.29Å; F58-F69 HydrophobicContact CG-CZ 4.12Å; F58-L71 HydrophobicContact CE1-CD1 3.66Å; F58-L71 HydrophobicContact CZ-CD1 3.87Å; F58-V80 HydrophobicContact CD2-CG1 3.66Å; F58-V80 HydrophobicContact CD2-CG2 4.1Å; F58-V80 HydrophobicContact CE2-CB 4.49Å; F58-V80 HydrophobicContact CE2-CG1 3.95Å; F58-V80 HydrophobicContact CE2-CG2 3.66Å; F58-V80 HydrophobicContact CG-CG1 4.42Å; F58-V80 HydrophobicContact CZ-CG2 3.93Å; F58-L390 HydrophobicContact CD2-CD1 4.41Å; F58-L390 HydrophobicContact CD2-CD2 3.65Å; F58-L390 HydrophobicContact CE2-CD1 4.1Å; F58-L390 HydrophobicContact CE2-CD2 4Å; F58-I414 HydrophobicContact CE2-CD1 4.03Å; F58-I414 HydrophobicContact CE2-CG2 4.11Å; F58-I414 HydrophobicContact CZ-CD1 4.14Å
59D93.8Very high92.5Very high46 Ų4662 Ų6225%0.24629%0.287CS..Hα-helixtrans-62.8-43.5170.6-17163.4000111.6P55 Y56 C57 L61 R62 R63P55-D59 PolarHBondContact O-N 2.78Å; Y56-D59 PolarHBondContact O-N 3Å; C57-D59 PolarHBondContact O-N 2.9Å; D59-L61 VanDerWaalsContact C-N 3.35Å; D59-L61 PolarHBondContact O-N 3.31Å; D59-R62 WeakPolarHBondContact O-CB 3.38Å; D59-R62 PolarHBondContact O-N 3.44Å; D59-R63 WeakPolarHBondContact O-CG 3.32Å; D59-R63 PolarHBondContact O-N 2.86Å; D59-R63 IonicContact OD2-CZ 3.62Å; D59-R63 IonicContact OD2-NE 2.96Å; D59-R63 PolarHBondContact OD2-NE 2.95Å; D59-R63 IonicContact OD2-NH2 3.93Å; D59-R63 PolarHBondContact OD2-NH2 3.29Å
60Q95.7Very high92.9Very high100 Ų10061.5 Ų61.547%0.46728%0.284SS..Hα-helixtrans-62.3-41.7175.3-66.2-171.7-1100112.3Y56 C57 R63 R64Y56-Q60 HydrophobicContact CE1-CG 4.34Å; Y56-Q60 VanDerWaalsContact CZ-NE2 3.29Å; Y56-Q60 PolarHBondContact O-N 2.96Å; Y56-Q60 VanDerWaalsContact O-N 3.12Å; Y56-Q60 PolarHBondContact OH-NE2 3.27Å; Y56-Q60 VanDerWaalsContact OH-NE2 3.11Å; C57-Q60 WeakPolarHBondContact O-CB 3.42Å; C57-Q60 PolarHBondContact O-N 3.36Å; Q60-R63 PolarHBondContact O-N 3.12Å; Q60-R64 PolarHBondContact O-N 3.1Å
61L97Very high93.3Very high16 Ų1657.9 Ų57.98%0.08426%0.264CS..Hα-helixtrans-66.1-41175.7-68.1174.3000111.7P37 C57 F58 D59 R63 R64 F65 F69 L71P37-L61 HydrophobicContact CG-CD2 4.23Å; C57-L61 WeakPolarHBondContact O-CG 2.98Å; C57-L61 PolarHBondContact O-N 3.06Å; F58-L61 HydrophobicContact CD1-CD1 4.12Å; F58-L61 PolarHBondContact O-N 3.5Å; D59-L61 VanDerWaalsContact C-N 3.35Å; D59-L61 PolarHBondContact O-N 3.31Å; L61-R63 PolarHBondContact O-N 3.08Å; L61-R64 PolarHBondContact O-N 3.46Å; L61-R64 VanDerWaalsContact O-N 3.14Å; L61-F65 HydrophobicContact CB-CD2 4.38Å; L61-F65 HydrophobicContact CD2-CD2 3.99Å; L61-F65 HydrophobicContact CD2-CE2 3.69Å; L61-F65 WeakPolarHBondContact O-CD2 3.25Å; L61-F65 PolarHBondContact O-N 3.48Å; L61-F69 HydrophobicContact CB-CD1 4.36Å; L61-F69 HydrophobicContact CB-CD2 4.29Å; L61-F69 HydrophobicContact CB-CE1 3.87Å; L61-F69 HydrophobicContact CB-CE2 3.82Å; L61-F69 HydrophobicContact CB-CZ 3.58Å; L61-F69 HydrophobicContact CD1-CE2 3.69Å; L61-F69 HydrophobicContact CD1-CZ 3.99Å; L61-F69 HydrophobicContact CG-CE2 4.39Å; L61-F69 HydrophobicContact CG-CZ 4.45Å; L61-L71 HydrophobicContact CD1-CD1 4.4Å; L61-L71 HydrophobicContact CD1-CD2 4.07Å
62R97.2Very high93.7Very high42 Ų4252.8 Ų52.816%0.15824%0.242CC..Hα-helixtrans-57.3-47.8174-178-167.2-179.8-173.10.9111F58 D59 R64 G66 D67 F69 N82 S419 D423F58-R62 VanDerWaalsContact O-CB 3.31Å; F58-R62 WeakPolarHBondContact O-CB 3.3Å; F58-R62 PolarHBondContact O-N 3.08Å; D59-R62 WeakPolarHBondContact O-CB 3.38Å; D59-R62 PolarHBondContact O-N 3.44Å; R62-R64 PolarHBondContact O-N 3.3Å; R62-G66 WeakPolarHBondContact CA-O 3.3Å; R62-G66 CarbonylContact O-C 3.53Å; R62-G66 VanDerWaalsContact O-CA 3.25Å; R62-G66 WeakPolarHBondContact O-CA 3.06Å; R62-G66 PolarHBondContact O-N 2.78Å; R62-D67 IonicContact CZ-OD1 3.41Å; R62-D67 IonicContact NE-OD1 2.9Å; R62-D67 PolarHBondContact NE-OD1 3.31Å; R62-D67 IonicContact NH2-OD1 2.97Å; R62-D67 PolarHBondContact NH2-OD1 2.87Å; R62-D67 VanDerWaalsContact NH2-OD1 3.1Å; R62-F69 HydrophobicContact CB-CE1 4.36Å; R62-N82 HydrophobicContact CG-CB 3.9Å; R62-S419 PolarHBondContact NH1-O 3.29Å; R62-D423 IonicContact NH2-OD2 3.23Å; R62-D423 PolarHBondContact NH2-OD2 2.91Å
63R95.6Very high94.2Very high175 Ų17546.7 Ų46.766%0.6621%0.214SC*.Hα-helixtrans-60.6-31.4177.4-69.5176.1-165.5-115.6-3.6113D59 Q60 L61D59-R63 WeakPolarHBondContact O-CG 3.32Å; D59-R63 PolarHBondContact O-N 2.86Å; D59-R63 IonicContact OD2-CZ 3.62Å; D59-R63 IonicContact OD2-NE 2.96Å; D59-R63 PolarHBondContact OD2-NE 2.95Å; D59-R63 IonicContact OD2-NH2 3.93Å; D59-R63 PolarHBondContact OD2-NH2 3.29Å; Q60-R63 PolarHBondContact O-N 3.12Å; L61-R63 PolarHBondContact O-N 3.08Å
64R97Very high94.2Very high198 Ų19844.6 Ų44.675%0.74721%0.205SC*.Hα-helixtrans-88.2-37.5-177.2-174.9172.5179.3178.31.4114Q60 L61 R62Q60-R64 PolarHBondContact O-N 3.1Å; L61-R64 PolarHBondContact O-N 3.46Å; L61-R64 VanDerWaalsContact O-N 3.14Å; R62-R64 PolarHBondContact O-N 3.3Å
65F97.2Very high94Very high41 Ų4148.4 Ų48.418%0.1822%0.218CC..Hα-helixtrans-116.7-8.3-169.7-60.8-70.4000113.8P35 P37 L61 F69P35-F65 HydrophobicContact CB-CB 4.43Å; P35-F65 HydrophobicContact CB-CD1 4.21Å; P35-F65 HydrophobicContact CG-CB 4.24Å; P35-F65 VanDerWaalsContact CG-O 3.23Å; P35-F65 WeakPolarHBondContact CG-O 3.48Å; P37-F65 HydrophobicContact CB-CE2 4.42Å; P37-F65 HydrophobicContact CB-CZ 4.35Å; P37-F65 HydrophobicContact CG-CE2 4.48Å; L61-F65 HydrophobicContact CB-CD2 4.38Å; L61-F65 HydrophobicContact CD2-CD2 3.99Å; L61-F65 HydrophobicContact CD2-CE2 3.69Å; L61-F65 WeakPolarHBondContact O-CD2 3.25Å; L61-F65 PolarHBondContact O-N 3.48Å; F65-F69 HydrophobicContact CB-CB 3.72Å
66G97.6Very high94Very high32 Ų3250 Ų5033%0.3323%0.228SC..  trans95.9-175.6-178.800000113.6R62 V68R62-G66 WeakPolarHBondContact CA-O 3.3Å; R62-G66 CarbonylContact O-C 3.53Å; R62-G66 VanDerWaalsContact O-CA 3.25Å; R62-G66 WeakPolarHBondContact O-CA 3.06Å; R62-G66 PolarHBondContact O-N 2.78Å; G66-V68 VanDerWaalsContact C-N 3.28Å; G66-V68 PolarHBondContact O-N 3.12Å
67D98.2Very high94.2Very high50 Ų5044.6 Ų44.627%0.26721%0.208SC..SBendtrans-69-23.3-173.5-78.6-20000114R62 N82R62-D67 IonicContact CZ-OD1 3.41Å; R62-D67 IonicContact NE-OD1 2.9Å; R62-D67 PolarHBondContact NE-OD1 3.31Å; R62-D67 IonicContact NH2-OD1 2.97Å; R62-D67 PolarHBondContact NH2-OD1 2.87Å; R62-D67 VanDerWaalsContact NH2-OD1 3.1Å; D67-N82 HydrophobicContact CB-CB 4.45Å; D67-N82 WeakPolarHBondContact O-CB 3.41Å; D67-N82 PolarHBondContact O-N 3.49Å; D67-N82 PolarHBondContact O-ND2 3.29Å
68V98.5Very high94.3Very high0 Ų044.3 Ų44.30%021%0.206CC..EExtended strand (participates in β ladder)trans-122106.3177-176.10000108.7P34 G66 V79 L81 A86 V402 Q403 F405P34-V68 HydrophobicContact CB-CG1 4.1Å; P34-V68 HydrophobicContact CG-CG1 3.95Å; G66-V68 VanDerWaalsContact C-N 3.28Å; G66-V68 PolarHBondContact O-N 3.12Å; V68-V79 HydrophobicContact CG1-CG1 3.76Å; V68-L81 HydrophobicContact CG1-CD2 4.17Å; V68-L81 HydrophobicContact CG2-CD2 4.17Å; V68-A86 HydrophobicContact CG2-CB 3.77Å; V68-V402 HydrophobicContact CG2-CG1 4.04Å; V68-Q403 HydrophobicContact CG2-CB 4.08Å; V68-Q403 HydrophobicContact CG2-CG 4.11Å; V68-F405 HydrophobicContact CB-CD2 3.92Å; V68-F405 HydrophobicContact CB-CE2 4.32Å; V68-F405 HydrophobicContact CG1-CD2 4.13Å
69F98Very high94.4Very high0 Ų044.1 Ų44.10%021%0.205CC..EExtended strand (participates in β ladder)trans-130.6156.7179.869.9-100.8000112.3P35 F58 L61 R62 F65 L71 V79 V80 N82P35-F69 CarbonylContact O-C 3.58Å; P35-F69 WeakPolarHBondContact O-CA 3.48Å; P35-F69 VanDerWaalsContact O-CB 3.31Å; P35-F69 WeakPolarHBondContact O-CB 3.37Å; F58-F69 HydrophobicContact CB-CZ 4.26Å; F58-F69 HydrophobicContact CD1-CZ 4.29Å; F58-F69 HydrophobicContact CG-CZ 4.12Å; L61-F69 HydrophobicContact CB-CD1 4.36Å; L61-F69 HydrophobicContact CB-CD2 4.29Å; L61-F69 HydrophobicContact CB-CE1 3.87Å; L61-F69 HydrophobicContact CB-CE2 3.82Å; L61-F69 HydrophobicContact CB-CZ 3.58Å; L61-F69 HydrophobicContact CD1-CE2 3.69Å; L61-F69 HydrophobicContact CD1-CZ 3.99Å; L61-F69 HydrophobicContact CG-CE2 4.39Å; L61-F69 HydrophobicContact CG-CZ 4.45Å; R62-F69 HydrophobicContact CB-CE1 4.36Å; F65-F69 HydrophobicContact CB-CB 3.72Å; F69-L71 HydrophobicContact CD2-CG 4.24Å; F69-L71 HydrophobicContact CE2-CD1 3.94Å; F69-L71 HydrophobicContact CE2-CD2 4.45Å; F69-L71 HydrophobicContact CE2-CG 3.95Å; F69-V79 CarbonylContact O-C 3.45Å; F69-V79 WeakPolarHBondContact O-CA 3.23Å; F69-V80 HydrophobicContact CD1-CB 4.25Å; F69-V80 HydrophobicContact CD2-CB 4.12Å; F69-V80 HydrophobicContact CD2-CG2 4.17Å; F69-V80 HydrophobicContact CE1-CB 3.8Å; F69-V80 HydrophobicContact CE1-CG1 3.87Å; F69-V80 HydrophobicContact CE1-CG2 4.46Å; F69-V80 HydrophobicContact CE2-CB 3.62Å; F69-V80 HydrophobicContact CE2-CG1 4.31Å; F69-V80 HydrophobicContact CE2-CG2 3.44Å; F69-V80 VanDerWaalsContact CE2-CG2 3.44Å; F69-V80 HydrophobicContact CG-CB 4.41Å; F69-V80 HydrophobicContact CZ-CB 3.44Å; F69-V80 VanDerWaalsContact CZ-CB 3.44Å; F69-V80 HydrophobicContact CZ-CG1 3.64Å; F69-V80 HydrophobicContact CZ-CG2 3.62Å; F69-V80 PolarHBondContact N-O 3.28Å; F69-V80 PolarHBondContact O-N 2.96Å; F69-N82 VanDerWaalsContact CE1-ND2 3.3Å; F69-N82 WeakPolarHBondContact CE1-ND2 3.26Å
70S97.1Very high94.6Very high0 Ų041.9 Ų41.90%019%0.193CC..EExtended strand (participates in β ladder)trans-105.3147.8-178.364.20000113.2Y33 P34 P35 V78Y33-S70 WeakPolarHBondContact CE1-OG 3.3Å; P34-S70 WeakPolarHBondContact O-CB 3.2Å; P34-S70 PolarHBondContact O-OG 3.47Å; P35-S70 PolarHBondContact O-N 2.9Å; P35-S70 PolarHBondContact O-OG 2.88Å; S70-V78 CarbonylContact C-O 3.58Å; S70-V78 WeakPolarHBondContact CA-O 3.4Å
71L94.9Very high94.8Very high0 Ų037.1 Ų37.10%017%0.171CC..EExtended strand (participates in β ladder)trans-133.8156.7169.9-66.6173000108.7P37 N45 V49 F58 L61 F69 L73 V78 V80P37-L71 HydrophobicContact CG-CD2 3.6Å; N45-L71 HydrophobicContact CB-CB 4.44Å; N45-L71 HydrophobicContact CB-CD2 3.82Å; V49-L71 HydrophobicContact CG2-CD1 3.91Å; V49-L71 HydrophobicContact CG2-CD2 4.18Å; F58-L71 HydrophobicContact CE1-CD1 3.66Å; F58-L71 HydrophobicContact CZ-CD1 3.87Å; L61-L71 HydrophobicContact CD1-CD1 4.4Å; L61-L71 HydrophobicContact CD1-CD2 4.07Å; F69-L71 HydrophobicContact CD2-CG 4.24Å; F69-L71 HydrophobicContact CE2-CD1 3.94Å; F69-L71 HydrophobicContact CE2-CD2 4.45Å; F69-L71 HydrophobicContact CE2-CG 3.95Å; L71-L73 HydrophobicContact CB-CD2 4.39Å; L71-V78 HydrophobicContact CB-CB 4.17Å; L71-V78 PolarHBondContact N-O 3.08Å; L71-V78 PolarHBondContact O-N 2.78Å; L71-V80 HydrophobicContact CD1-CG2 4.08Å
72Q92Very high94.8Very high1 Ų136.4 Ų36.41%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-12696173.5-176.961.946.900108.1R25 P39 G44 N45 A74 W75R25-Q72 HydrophobicContact CG-CG 4.31Å; P39-Q72 HydrophobicContact CB-CB 4.36Å; G44-Q72 CarbonylContact C-O 3.56Å; G44-Q72 WeakPolarHBondContact CA-O 3.38Å; N45-Q72 PolarHBondContact N-O 3.36Å; N45-Q72 PolarHBondContact OD1-N 2.95Å; Q72-A74 WeakPolarHBondContact CG-O 3.31Å; Q72-A74 PolarHBondContact NE2-O 2.95Å; Q72-A74 PolarHBondContact O-N 2.82Å; Q72-W75 PolarHBondContact NE2-O 2.75Å
73L88.3Confident94.8Very high33 Ų3334.5 Ų34.517%0.17316%0.161CC..EExtended strand (participates in β ladder)trans-91.5103.1-177.6-57.1-174.6000108.4L46 V49 F51 L71 W75 T76 V78L46-L73 HydrophobicContact CD2-CB 4.32Å; L46-L73 HydrophobicContact CD2-CD2 4.36Å; V49-L73 HydrophobicContact CG2-CD2 4.21Å; F51-L73 HydrophobicContact CZ-CD2 4.36Å; L71-L73 HydrophobicContact CB-CD2 4.39Å; L73-W75 PolarHBondContact O-N 2.98Å; L73-T76 PolarHBondContact N-O 3.16Å; L73-T76 WeakPolarHBondContact O-CB 3.47Å; L73-T76 PolarHBondContact O-N 3.07Å; L73-V78 HydrophobicContact CB-CG2 4.49Å; L73-V78 HydrophobicContact CD1-CG2 4.09Å; L73-V78 HydrophobicContact CG-CG2 4.08Å
74A84.7Confident95Very high18 Ų1827.9 Ų27.915%0.14914%0.138CC..THydrogen-bonded Turntrans51.1-118.1-164.600000110.9L46 Q72L46-A74 HydrophobicContact CD1-CB 4.24Å; Q72-A74 WeakPolarHBondContact CG-O 3.31Å; Q72-A74 PolarHBondContact NE2-O 2.95Å; Q72-A74 PolarHBondContact O-N 2.82Å
75W84.7Confident95Very high99 Ų9921.5 Ų21.538%0.37513%0.128SC..THydrogen-bonded Turntrans-94.62.9177.5-55.4-78.1000113.9H24 Q72 L73 P77 A226 V227H24-W75 AromaticContact CD2-CD1 3.96Å; H24-W75 AromaticContact CG-CD1 3.99Å; Q72-W75 PolarHBondContact NE2-O 2.75Å; L73-W75 PolarHBondContact O-N 2.98Å; W75-P77 VanDerWaalsContact O-CD 3.31Å; W75-P77 WeakPolarHBondContact O-CD 3.45Å; W75-A226 HydrophobicContact CE3-CB 3.94Å; W75-A226 HydrophobicContact CZ3-CB 4.02Å; W75-V227 HydrophobicContact CZ3-CG2 4.12Å
76T88.2Confident95.1Very high55 Ų5519.6 Ų19.634%0.33712%0.119SC..EExtended strand (participates in β ladder)trans-92.2113.3179.2-550000110.9L73 V78 T412L73-T76 PolarHBondContact N-O 3.16Å; L73-T76 WeakPolarHBondContact O-CB 3.47Å; L73-T76 PolarHBondContact O-N 3.07Å; T76-V78 HydrophobicContact CG2-CG2 4.13Å; T76-T412 WeakPolarHBondContact CG2-OG1 3.48Å
77P93.4Very high95.1Very high16 Ų1618 Ų1810%0.10410%0.104CC..EExtended strand (participates in β ladder)trans-72.9127.5171.829.6-32.6000109.9Q27 W75 T412Q27-P77 VanDerWaalsContact OE1-CG 3.28Å; W75-P77 VanDerWaalsContact O-CD 3.31Å; W75-P77 WeakPolarHBondContact O-CD 3.45Å; P77-T412 WeakPolarHBondContact O-CB 3.46Å; P77-T412 PolarHBondContact O-N 2.98Å
78V95.3Very high95.1Very high4 Ų421.1 Ų21.12%0.02411%0.111CC..EExtended strand (participates in β ladder)trans-124.8138.2-176.3176.90000109.9S70 L71 L73 T76 V80 T412 I414S70-V78 CarbonylContact C-O 3.58Å; S70-V78 WeakPolarHBondContact CA-O 3.4Å; L71-V78 HydrophobicContact CB-CB 4.17Å; L71-V78 PolarHBondContact N-O 3.08Å; L71-V78 PolarHBondContact O-N 2.78Å; L73-V78 HydrophobicContact CB-CG2 4.49Å; L73-V78 HydrophobicContact CD1-CG2 4.09Å; L73-V78 HydrophobicContact CG-CG2 4.08Å; T76-V78 HydrophobicContact CG2-CG2 4.13Å; V78-V80 HydrophobicContact CG1-CG2 4.32Å; V78-T412 CarbonylContact C-O 3.46Å; V78-T412 VanDerWaalsContact CA-O 3.27Å; V78-T412 WeakPolarHBondContact CA-O 2.96Å; V78-T412 HydrophobicContact CG2-CG2 4.39Å; V78-I414 HydrophobicContact CG1-CD1 3.55Å; V78-I414 HydrophobicContact CG1-CG1 3.84Å
79V98Very high95.1Very high0 Ų023.3 Ų23.30%012%0.122CC..EExtended strand (participates in β ladder)trans-122.1128.2166.3171.20000108.7P34 V68 F69 L81 I407 T411 T412 L413 I414P34-V79 HydrophobicContact CG-CG1 4.23Å; P34-V79 HydrophobicContact CG-CG2 3.96Å; V68-V79 HydrophobicContact CG1-CG1 3.76Å; F69-V79 CarbonylContact O-C 3.45Å; F69-V79 WeakPolarHBondContact O-CA 3.23Å; V79-L81 HydrophobicContact CG1-CD2 4.14Å; V79-I407 HydrophobicContact CB-CD1 4.46Å; V79-I407 HydrophobicContact CG1-CD1 3.85Å; V79-I407 HydrophobicContact CG1-CG1 4.44Å; V79-I407 HydrophobicContact CG2-CG2 4.23Å; V79-T411 HydrophobicContact CB-CG2 4.14Å; V79-T411 HydrophobicContact CG2-CG2 3.68Å; V79-T412 PolarHBondContact N-O 3.42Å; V79-L413 HydrophobicContact CB-CD2 4.04Å; V79-L413 HydrophobicContact CG1-CD2 4.42Å; V79-L413 WeakPolarHBondContact O-CA 3.36Å; V79-I414 PolarHBondContact O-N 2.65Å
80V98.4Very high95.1Very high0 Ų023.3 Ų23.30%012%0.122CC..EExtended strand (participates in β ladder)trans-98129177.5-174.70000108.6F58 F69 L71 V78 I414 N416F58-V80 HydrophobicContact CD2-CG1 3.66Å; F58-V80 HydrophobicContact CD2-CG2 4.1Å; F58-V80 HydrophobicContact CE2-CB 4.49Å; F58-V80 HydrophobicContact CE2-CG1 3.95Å; F58-V80 HydrophobicContact CE2-CG2 3.66Å; F58-V80 HydrophobicContact CG-CG1 4.42Å; F58-V80 HydrophobicContact CZ-CG2 3.93Å; F69-V80 HydrophobicContact CD1-CB 4.25Å; F69-V80 HydrophobicContact CD2-CB 4.12Å; F69-V80 HydrophobicContact CD2-CG2 4.17Å; F69-V80 HydrophobicContact CE1-CB 3.8Å; F69-V80 HydrophobicContact CE1-CG1 3.87Å; F69-V80 HydrophobicContact CE1-CG2 4.46Å; F69-V80 HydrophobicContact CE2-CB 3.62Å; F69-V80 HydrophobicContact CE2-CG1 4.31Å; F69-V80 HydrophobicContact CE2-CG2 3.44Å; F69-V80 VanDerWaalsContact CE2-CG2 3.44Å; F69-V80 HydrophobicContact CG-CB 4.41Å; F69-V80 HydrophobicContact CZ-CB 3.44Å; F69-V80 VanDerWaalsContact CZ-CB 3.44Å; F69-V80 HydrophobicContact CZ-CG1 3.64Å; F69-V80 HydrophobicContact CZ-CG2 3.62Å; F69-V80 PolarHBondContact N-O 3.28Å; F69-V80 PolarHBondContact O-N 2.96Å; L71-V80 HydrophobicContact CD1-CG2 4.08Å; V78-V80 HydrophobicContact CG1-CG2 4.32Å; V80-I414 HydrophobicContact CG2-CB 4.34Å; V80-I414 HydrophobicContact CG2-CD1 4.46Å; V80-N416 HydrophobicContact CG1-CB 4.16Å
81L98.6Very high95.1Very high0 Ų023.5 Ų23.50%012%0.123CC..EExtended strand (participates in β ladder)trans-107.7121.1-180-57.2172.6000109.1V68 V79 A86 V87 A90 M91 V402 L413 I414 N416V68-L81 HydrophobicContact CG1-CD2 4.17Å; V68-L81 HydrophobicContact CG2-CD2 4.17Å; V79-L81 HydrophobicContact CG1-CD2 4.14Å; L81-A86 HydrophobicContact CB-CB 4.45Å; L81-A86 HydrophobicContact CD2-CB 4.49Å; L81-V87 HydrophobicContact CB-CG2 4.15Å; L81-A90 HydrophobicContact CD1-CB 3.37Å; L81-M91 HydrophobicContact CD1-CE 3.97Å; L81-V402 HydrophobicContact CD2-CG1 4.13Å; L81-L413 HydrophobicContact CD1-CB 4.46Å; L81-I414 PolarHBondContact N-O 2.65Å; L81-N416 WeakPolarHBondContact O-CB 3.28Å; L81-N416 PolarHBondContact O-N 3.3Å
82N98.5Very high95.3Very high0 Ų027.1 Ų27.10%015%0.145CC..EExtended strand (participates in β ladder)trans-119.6149.6-177.9-50.4-92.2000111.2R62 D67 F69 A86 N416 S419R62-N82 HydrophobicContact CG-CB 3.9Å; D67-N82 HydrophobicContact CB-CB 4.45Å; D67-N82 WeakPolarHBondContact O-CB 3.41Å; D67-N82 PolarHBondContact O-N 3.49Å; D67-N82 PolarHBondContact O-ND2 3.29Å; F69-N82 VanDerWaalsContact CE1-ND2 3.3Å; F69-N82 WeakPolarHBondContact CE1-ND2 3.26Å; N82-A86 WeakPolarHBondContact O-CB 3.44Å; N82-N416 WeakPolarHBondContact OD1-CB 3.33Å; N82-N416 PolarHBondContact OD1-ND2 2.8Å; N82-S419 WeakPolarHBondContact CA-OG 3.24Å; N82-S419 WeakPolarHBondContact CB-OG 3.4Å
83G97.4Very high95.5Very high2 Ų231.6 Ų31.62%0.02117%0.172CC..Hα-helixtrans72.516018000000114A85 V87 S419G83-A85 VanDerWaalsContact C-N 3.31Å; G83-A85 PolarHBondContact O-N 2.65Å; G83-V87 WeakPolarHBondContact O-CG2 3.36Å; G83-V87 PolarHBondContact O-N 3.34Å; G83-S419 PolarHBondContact N-OG 3.24Å
84L98.1Very high95.9Very high37 Ų3734.6 Ų34.619%0.19418%0.181CC..Hα-helixtrans-60.4-40.4-173.9-179.959000112.2R88 V420 E449 A450 L452L84-R88 WeakPolarHBondContact O-CB 3.31Å; L84-R88 PolarHBondContact O-N 2.91Å; L84-V420 HydrophobicContact CB-CG1 4.03Å; L84-V420 HydrophobicContact CD1-CG1 4.2Å; L84-E449 HydrophobicContact CD2-CB 3.83Å; L84-A450 HydrophobicContact CD2-CB 4.47Å; L84-L452 HydrophobicContact CD1-CD1 3.51Å; L84-L452 HydrophobicContact CD1-CG 4.34Å
85A98.1Very high96.5Very high64 Ų6434 Ų3453%0.52918%0.177SC..Hα-helixtrans-63.4-52.4-175.300000112.4G83 R88 E89G83-A85 VanDerWaalsContact C-N 3.31Å; G83-A85 PolarHBondContact O-N 2.65Å; A85-R88 PolarHBondContact O-N 2.89Å; A85-E89 WeakPolarHBondContact O-CB 3.47Å; A85-E89 PolarHBondContact O-N 3.26Å
86A98.4Very high97Very high0 Ų034.3 Ų34.30%018%0.183CC..Hα-helixtrans-65.4-42.3-179.400000111.8V68 L81 N82 A90 V402 Q403V68-A86 HydrophobicContact CG2-CB 3.77Å; L81-A86 HydrophobicContact CB-CB 4.45Å; L81-A86 HydrophobicContact CD2-CB 4.49Å; N82-A86 WeakPolarHBondContact O-CB 3.44Å; A86-A90 WeakPolarHBondContact O-CB 3.38Å; A86-A90 PolarHBondContact O-N 3.03Å; A86-V402 HydrophobicContact CB-CG1 4.33Å; A86-Q403 HydrophobicContact CB-CG 4.37Å
87V98.3Very high97.5Very high0 Ų033.4 Ų33.40%018%0.176CC..Hα-helixtrans-64.2-45.1177.9173.90000110.9L81 G83 M91 V420 L452L81-V87 HydrophobicContact CB-CG2 4.15Å; G83-V87 WeakPolarHBondContact O-CG2 3.36Å; G83-V87 PolarHBondContact O-N 3.34Å; V87-M91 HydrophobicContact CG1-CG 4.17Å; V87-M91 VanDerWaalsContact O-CB 3.24Å; V87-M91 WeakPolarHBondContact O-CB 3.48Å; V87-M91 VanDerWaalsContact O-CG 3.26Å; V87-M91 WeakPolarHBondContact O-CG 3.37Å; V87-M91 PolarHBondContact O-N 3.28Å; V87-V420 HydrophobicContact CG2-CG2 4.06Å; V87-L452 HydrophobicContact CG1-CD1 4.47Å
88R97.9Very high97.7Very high114 Ų11432.7 Ų32.743%0.4317%0.171SC..Hα-helixtrans-66.6-43.9179.4-171.9175.8-175.5161.52.1111.6L84 A85 V92 T93 E449L84-R88 WeakPolarHBondContact O-CB 3.31Å; L84-R88 PolarHBondContact O-N 2.91Å; A85-R88 PolarHBondContact O-N 2.89Å; R88-V92 HydrophobicContact CG-CB 4.3Å; R88-V92 HydrophobicContact CG-CG2 4.17Å; R88-V92 WeakPolarHBondContact O-CA 3.48Å; R88-V92 WeakPolarHBondContact O-CB 3.29Å; R88-V92 PolarHBondContact O-N 3.4Å; R88-T93 PolarHBondContact O-N 3.5Å; R88-E449 IonicContact CZ-OE1 3.18Å; R88-E449 IonicContact NH1-OE1 2.63Å; R88-E449 PolarHBondContact NH1-OE1 3.29Å; R88-E449 IonicContact NH1-OE2 2.66Å; R88-E449 PolarHBondContact NH1-OE2 3.02Å; R88-E449 IonicContact NH2-OE1 2.84Å
89E98.3Very high97.8Very high47 Ų4732.7 Ų32.722%0.2217%0.171CC..Iπ-helixtrans-59-49.8176.6-175.3177.6-172.200111.1A85 T93 R94 V402 Q403A85-E89 WeakPolarHBondContact O-CB 3.47Å; A85-E89 PolarHBondContact O-N 3.26Å; E89-T93 CarbonylContact O-C 3.39Å; E89-T93 WeakPolarHBondContact O-CA 2.93Å; E89-T93 VanDerWaalsContact O-CB 3.24Å; E89-T93 WeakPolarHBondContact O-CB 3.15Å; E89-T93 PolarHBondContact O-N 3.3Å; E89-R94 PolarHBondContact O-N 2.82Å; E89-V402 HydrophobicContact CB-CG1 4.38Å; E89-V402 HydrophobicContact CG-CG1 4.44Å; E89-Q403 PolarHBondContact OE2-N 3.17Å
90A98.2Very high97.8Very high0 Ų033.1 Ų33.10%017%0.174CC..Iπ-helixtrans-67.9-48-179.100000112.7L81 A86 R94 T98 V402L81-A90 HydrophobicContact CD1-CB 3.37Å; A86-A90 WeakPolarHBondContact O-CB 3.38Å; A86-A90 PolarHBondContact O-N 3.03Å; A90-R94 CarbonylContact O-C 3.04Å; A90-R94 WeakPolarHBondContact O-CB 3.21Å; A90-T98 WeakPolarHBondContact O-CB 3.34Å; A90-T98 WeakPolarHBondContact O-CG2 3.31Å; A90-T98 PolarHBondContact O-OG1 3.14Å; A90-V402 HydrophobicContact CB-CG2 4.02Å
91M97.9Very high97.8Very high3 Ų333.8 Ų33.82%0.01518%0.176CC..Iπ-helixtrans-85.7-26.8-169.6-60.1-60.7106.100113.6L81 V87 G95 T98 L413 T415 A456 G457L81-M91 HydrophobicContact CD1-CE 3.97Å; V87-M91 HydrophobicContact CG1-CG 4.17Å; V87-M91 VanDerWaalsContact O-CB 3.24Å; V87-M91 WeakPolarHBondContact O-CB 3.48Å; V87-M91 VanDerWaalsContact O-CG 3.26Å; V87-M91 WeakPolarHBondContact O-CG 3.37Å; V87-M91 PolarHBondContact O-N 3.28Å; M91-G95 VanDerWaalsContact O-CA 3.25Å; M91-G95 WeakPolarHBondContact O-CA 3.47Å; M91-T98 HydrophobicContact CE-CG2 4.2Å; M91-L413 HydrophobicContact CE-CD1 3.77Å; M91-T415 HydrophobicContact CE-CG2 4.11Å; M91-T415 HydrophobicContact CG-CG2 3.92Å; M91-T415 HydrophobicContact SD-CG2 3.75Å; M91-A456 HydrophobicContact CB-CB 4.31Å; M91-G457 VanDerWaalsContact O-CA 3.31Å; M91-G457 WeakPolarHBondContact O-CA 3.24Å
92V97.5Very high97.5Very high77 Ų7735.3 Ų35.347%0.46719%0.186SC..Iπ-helixtrans-106-62.2-178.4-174.60000110.3R88 R94 G95 A456R88-V92 HydrophobicContact CG-CB 4.3Å; R88-V92 HydrophobicContact CG-CG2 4.17Å; R88-V92 WeakPolarHBondContact O-CA 3.48Å; R88-V92 WeakPolarHBondContact O-CB 3.29Å; R88-V92 PolarHBondContact O-N 3.4Å; V92-R94 VanDerWaalsContact C-N 3.33Å; V92-R94 PolarHBondContact O-N 3.19Å; V92-G95 PolarHBondContact O-N 3.42Å; V92-G95 VanDerWaalsContact O-N 3.11Å; V92-A456 HydrophobicContact CG2-CB 4.01Å
93T97.8Very high97.1Very high95 Ų9538.9 Ų38.958%0.58321%0.209SC*.Iπ-helixtrans-63.7-39.1-176.1-49.40000111.9R88 E89R88-T93 PolarHBondContact O-N 3.5Å; E89-T93 CarbonylContact O-C 3.39Å; E89-T93 WeakPolarHBondContact O-CA 2.93Å; E89-T93 VanDerWaalsContact O-CB 3.24Å; E89-T93 WeakPolarHBondContact O-CB 3.15Å; E89-T93 PolarHBondContact O-N 3.3Å
94R97Very high96.6Very high95 Ų9540.3 Ų40.336%0.35822%0.221SC..THydrogen-bonded Turntrans-102.421175-49.2-57.8-179.3-168.6-2.6113E89 A90 V92 E96 D97 T98 I400E89-R94 PolarHBondContact O-N 2.82Å; A90-R94 CarbonylContact O-C 3.04Å; A90-R94 WeakPolarHBondContact O-CB 3.21Å; V92-R94 VanDerWaalsContact C-N 3.33Å; V92-R94 PolarHBondContact O-N 3.19Å; R94-E96 PolarHBondContact O-N 3.06Å; R94-D97 PolarHBondContact O-N 2.76Å; R94-T98 HydrophobicContact CB-CG2 4.18Å; R94-T98 PolarHBondContact O-N 3.41Å; R94-T98 VanDerWaalsContact O-N 3.14Å; R94-T98 PolarHBondContact O-OG1 3.26Å; R94-I400 HydrophobicContact CB-CD1 4.37Å; R94-I400 HydrophobicContact CB-CG2 4.32Å; R94-I400 HydrophobicContact CG-CB 4.39Å
95G95.9Very high95.9Very high6 Ų640.3 Ų40.36%0.06222%0.223CC..THydrogen-bonded Turntrans-60.5-21.4-168.600000115.9M91 V92 T98 A99M91-G95 VanDerWaalsContact O-CA 3.25Å; M91-G95 WeakPolarHBondContact O-CA 3.47Å; V92-G95 PolarHBondContact O-N 3.42Å; V92-G95 VanDerWaalsContact O-N 3.11Å; G95-T98 WeakPolarHBondContact CA-OG1 3.06Å; G95-A99 WeakPolarHBondContact O-CB 3.43Å
96E95.9Very high95.3Very high105 Ų10537.3 Ų37.349%0.49120%0.198SC..THydrogen-bonded Turntrans-68.9-38.6173-53.4-134.911400112.1R94 Y124 R458R94-E96 PolarHBondContact O-N 3.06Å; E96-Y124 WeakPolarHBondContact O-CE1 3.17Å; E96-R458 IonicContact OE1-CZ 3.57Å; E96-R458 IonicContact OE1-NH1 2.96Å; E96-R458 PolarHBondContact OE1-NH1 3.46Å; E96-R458 IonicContact OE1-NH2 3.1Å; E96-R458 PolarHBondContact OE1-NH2 3.28Å
97D97.9Very high94.8Very high36 Ų3637.6 Ų37.619%0.19320%0.199CC..THydrogen-bonded Turntrans-93.7-11.6-172.8-61.1-47.2000112.1R94 T396 S397 R398 I400R94-D97 PolarHBondContact O-N 2.76Å; D97-T396 CarbonylContact O-C 3.55Å; D97-T396 VanDerWaalsContact O-CA 3.26Å; D97-T396 WeakPolarHBondContact O-CA 3.38Å; D97-S397 PolarHBondContact O-N 3.3Å; D97-R398 HydrophobicContact CB-CB 4.38Å; D97-R398 WeakPolarHBondContact OD1-CD 3.48Å; D97-I400 HydrophobicContact CB-CG2 3.66Å
98T98.1Very high94.2Very high2 Ų243.6 Ų43.61%0.01223%0.227CC..SBendtrans-111.96.3-179.759.30000114A90 M91 R94 G95 D100 H394 I400 L413A90-T98 WeakPolarHBondContact O-CB 3.34Å; A90-T98 WeakPolarHBondContact O-CG2 3.31Å; A90-T98 PolarHBondContact O-OG1 3.14Å; M91-T98 HydrophobicContact CE-CG2 4.2Å; R94-T98 HydrophobicContact CB-CG2 4.18Å; R94-T98 PolarHBondContact O-N 3.41Å; R94-T98 VanDerWaalsContact O-N 3.14Å; R94-T98 PolarHBondContact O-OG1 3.26Å; G95-T98 WeakPolarHBondContact CA-OG1 3.06Å; T98-D100 VanDerWaalsContact C-N 3.32Å; T98-D100 PolarHBondContact O-N 2.97Å; T98-H394 PolarHBondContact O-ND1 3.27Å; T98-I400 HydrophobicContact CG2-CD1 3.53Å; T98-L413 HydrophobicContact CG2-CD1 3.62Å
99A97.9Very high93.6Very high3 Ų340.7 Ų40.73%0.02522%0.222CC..  trans-83.40.6-178.400000114.9G95 Y124 R458 R459G95-A99 WeakPolarHBondContact O-CB 3.43Å; A99-Y124 HydrophobicContact CB-CD2 3.55Å; A99-Y124 HydrophobicContact CB-CE2 3.75Å; A99-Y124 HydrophobicContact CB-CG 4.07Å; A99-R458 HydrophobicContact CB-CB 4.19Å; A99-R459 HydrophobicContact CB-CG 4.35Å; A99-R459 VanDerWaalsContact O-CZ 3.3Å; A99-R459 PolarHBondContact O-NE 2.99Å; A99-R459 PolarHBondContact O-NH2 3.5Å
100D98.2Very high93.2Very high9 Ų939.1 Ų39.15%0.04822%0.215CC..BIsolated β-bridgetrans-82.6163.5179.6-157.29.4000112.3T98 R123 Y124 H394 M395 S397T98-D100 VanDerWaalsContact C-N 3.32Å; T98-D100 PolarHBondContact O-N 2.97Å; D100-R123 WeakPolarHBondContact OD1-CA 3.43Å; D100-R123 IonicContact OD1-CZ 3.11Å; D100-R123 IonicContact OD1-NE 3.47Å; D100-R123 PolarHBondContact OD1-NE 3.1Å; D100-R123 IonicContact OD1-NH2 3.86Å; D100-R123 IonicContact OD2-CZ 3.26Å; D100-R123 IonicContact OD2-NE 2.71Å; D100-R123 PolarHBondContact OD2-NE 3.48Å; D100-R123 VanDerWaalsContact OD2-NE 3.12Å; D100-R123 IonicContact OD2-NH2 3.64Å; D100-R123 PolarHBondContact OD2-NH2 3.45Å; D100-Y124 PolarHBondContact OD1-N 2.97Å; D100-H394 CarbonylContact O-C 3.52Å; D100-H394 WeakPolarHBondContact O-CA 3.26Å; D100-M395 HydrophobicContact CB-CB 4.38Å; D100-M395 WeakPolarHBondContact CB-O 3.17Å; D100-M395 PolarHBondContact O-N 2.84Å; D100-M395 VanDerWaalsContact OD2-CE 3.29Å; D100-M395 WeakPolarHBondContact OD2-CE 3.33Å; D100-S397 WeakPolarHBondContact CB-OG 3.49Å
101R96.9Very high92.8Very high15 Ų1540.8 Ų40.86%0.05723%0.232CC..  trans-113.4145.8175.6-68.1-63.3-165.1-157.3-1.9109.7I120 R123 V392 T393 H394 M395R101-I120 PolarHBondContact NE-O 2.73Å; R101-R123 WeakPolarHBondContact O-CD 3.41Å; R101-R123 PolarHBondContact O-NE 3Å; R101-V392 VanDerWaalsContact CZ-CG1 3.47Å; R101-V392 PolarHBondContact NH1-O 2.77Å; R101-T393 WeakPolarHBondContact CD-O 3.43Å; R101-T393 PolarHBondContact NH1-O 2.89Å; R101-H394 PolarHBondContact NH1-CD2 3.28Å; R101-H394 PolarHBondContact NH1-NE2 3.06Å; R101-M395 WeakPolarHBondContact O-CE 3.34Å
102P93.3Very high92.5Very high31 Ų3142.4 Ų42.420%0.20124%0.239CC..  trans-55139.8168.6-25.335.5000111M395 T412P102-M395 HydrophobicContact CG-CB 4.35Å; P102-T412 HydrophobicContact CG-CG2 3.92Å
103P90Very high92.2Very high76 Ų7639.8 Ų39.849%0.49423%0.228SC..  trans-63.2137.6172.627-32.4000110.1
104A86.1Confident91.9Very high31 Ų3140.6 Ų40.626%0.25624%0.235SC..  trans-131.184.1176.200000109.2I106 Y107A104-I106 HydrophobicContact CB-CG2 4.46Å; A104-I106 PolarHBondContact O-N 2.79Å; A104-I106 VanDerWaalsContact O-N 3.08Å; A104-Y107 HydrophobicContact CB-CD2 3.39Å; A104-Y107 HydrophobicContact CB-CE2 3.47Å; A104-Y107 VanDerWaalsContact CB-CE2 3.47Å; A104-Y107 WeakPolarHBondContact O-CD2 3.48Å; A104-Y107 PolarHBondContact O-N 3.47Å
105P83.8Confident91.7Very high37 Ų3739.6 Ų39.624%0.2423%0.231CC..G310 helixtrans-55.8-27.1-176.8-25.935.1000113.5Y107 Q108P105-Y107 PolarHBondContact O-N 2.95Å; P105-Y107 VanDerWaalsContact O-N 3.12Å; P105-Q108 WeakPolarHBondContact O-CB 3.24Å; P105-Q108 VanDerWaalsContact O-CG 3.25Å; P105-Q108 WeakPolarHBondContact O-CG 3.37Å; P105-Q108 PolarHBondContact O-N 2.89Å
106I85.3Confident91.6Very high2 Ų240 Ų401%0.0123%0.232CC..G310 helixtrans-55-30.4179.4-157.8169.4000113.7A104 Q108 V109 R221 L224 N225 V240 L241A104-I106 HydrophobicContact CB-CG2 4.46Å; A104-I106 PolarHBondContact O-N 2.79Å; A104-I106 VanDerWaalsContact O-N 3.08Å; I106-Q108 PolarHBondContact O-N 2.88Å; I106-V109 WeakPolarHBondContact O-CG2 3.41Å; I106-V109 PolarHBondContact O-N 3.24Å; I106-R221 HydrophobicContact CD1-CB 4.44Å; I106-R221 HydrophobicContact CD1-CG 4.07Å; I106-L224 HydrophobicContact CD1-CB 4.04Å; I106-L224 HydrophobicContact CD1-CD1 4.08Å; I106-N225 WeakPolarHBondContact CB-OD1 3.33Å; I106-N225 WeakPolarHBondContact CG2-OD1 3.41Å; I106-V240 HydrophobicContact CD1-CB 4Å; I106-V240 HydrophobicContact CD1-CG1 3.5Å; I106-V240 HydrophobicContact CD1-CG2 3.36Å; I106-V240 HydrophobicContact CG1-CG1 3.67Å; I106-V240 HydrophobicContact CG1-CG2 4.44Å; I106-L241 HydrophobicContact CG1-CD1 4.02Å; I106-L241 HydrophobicContact CG1-CG 4.39Å; I106-L241 HydrophobicContact CG2-CD1 4.21Å
107Y88.6Confident91.5Very high5 Ų536.6 Ų36.62%0.0222%0.217CC..G310 helixtrans-74.5-7.9-179.4-65.6-64.8000114.3A104 P105 V109 L110 F112 L121 E216 R221 L241A104-Y107 HydrophobicContact CB-CD2 3.39Å; A104-Y107 HydrophobicContact CB-CE2 3.47Å; A104-Y107 VanDerWaalsContact CB-CE2 3.47Å; A104-Y107 WeakPolarHBondContact O-CD2 3.48Å; A104-Y107 PolarHBondContact O-N 3.47Å; P105-Y107 PolarHBondContact O-N 2.95Å; P105-Y107 VanDerWaalsContact O-N 3.12Å; Y107-V109 PolarHBondContact O-N 2.9Å; Y107-L110 HydrophobicContact CD1-CD1 3.81Å; Y107-L110 HydrophobicContact CE1-CD1 4.41Å; Y107-L110 WeakPolarHBondContact O-CA 3.2Å; Y107-L110 WeakPolarHBondContact O-CB 3.4Å; Y107-L110 PolarHBondContact O-N 3.48Å; Y107-F112 WeakPolarHBondContact O-CB 3.46Å; Y107-F112 WeakPolarHBondContact O-CD2 3.47Å; Y107-F112 PolarHBondContact O-N 2.83Å; Y107-L121 HydrophobicContact CD2-CD1 3.96Å; Y107-L121 HydrophobicContact CE1-CD1 4.02Å; Y107-L121 HydrophobicContact CE2-CD1 3.31Å; Y107-L121 WeakPolarHBondContact OH-CD1 3.43Å; Y107-E216 VanDerWaalsContact OH-CD 3.24Å; Y107-E216 PolarHBondContact OH-OE1 3.08Å; Y107-E216 PolarHBondContact OH-OE2 3.4Å; Y107-R221 PolarHBondContact OH-NH2 2.92Å; Y107-L241 HydrophobicContact CD1-CD1 3.72Å; Y107-L241 HydrophobicContact CE1-CD1 3.99Å; Y107-L241 HydrophobicContact CE1-CD2 4.47Å
108Q86.4Confident91.5Very high126 Ų12634.9 Ų34.959%0.58921%0.208SC*.G310 helixtrans-55.9-31.6172.1-70.9176.12.500111.4P105 I106 L110 G111P105-Q108 WeakPolarHBondContact O-CB 3.24Å; P105-Q108 VanDerWaalsContact O-CG 3.25Å; P105-Q108 WeakPolarHBondContact O-CG 3.37Å; P105-Q108 PolarHBondContact O-N 2.89Å; I106-Q108 PolarHBondContact O-N 2.88Å; Q108-L110 PolarHBondContact O-N 3.44Å; Q108-L110 VanDerWaalsContact O-N 3.17Å; Q108-G111 PolarHBondContact O-N 2.95Å
109V85.6Confident91.4Very high54 Ų5435.1 Ų35.133%0.32721%0.209SC..G310 helixtrans-64.5-17.5175.8-50.60000113.6I106 Y107 A237 L241I106-V109 WeakPolarHBondContact O-CG2 3.41Å; I106-V109 PolarHBondContact O-N 3.24Å; Y107-V109 PolarHBondContact O-N 2.9Å; V109-A237 HydrophobicContact CG1-CB 4.08Å; V109-L241 HydrophobicContact CG2-CB 4.22Å; V109-L241 HydrophobicContact CG2-CD1 3.91Å
110L89.1Confident91.2Very high13 Ų1337.5 Ų37.57%0.06822%0.221CC..G310 helixtrans-97.98176.2-54.5-172.1000112.8Y107 Q108 F112 L241 Q244 K245 L248Y107-L110 HydrophobicContact CD1-CD1 3.81Å; Y107-L110 HydrophobicContact CE1-CD1 4.41Å; Y107-L110 WeakPolarHBondContact O-CA 3.2Å; Y107-L110 WeakPolarHBondContact O-CB 3.4Å; Y107-L110 PolarHBondContact O-N 3.48Å; Q108-L110 PolarHBondContact O-N 3.44Å; Q108-L110 VanDerWaalsContact O-N 3.17Å; L110-F112 HydrophobicContact CB-CD2 4.22Å; L110-F112 HydrophobicContact CB-CE2 4.45Å; L110-L241 HydrophobicContact CD1-CD1 4.13Å; L110-L241 HydrophobicContact CD2-CB 4.23Å; L110-L241 HydrophobicContact CG-CD1 4.14Å; L110-Q244 HydrophobicContact CD1-CB 4.01Å; L110-Q244 HydrophobicContact CD2-CB 4.32Å; L110-K245 HydrophobicContact CD2-CB 3.98Å; L110-L248 HydrophobicContact CB-CD1 3.86Å; L110-L248 HydrophobicContact CD1-CD1 4.13Å; L110-L248 HydrophobicContact CD2-CD1 4.18Å; L110-L248 HydrophobicContact CG-CD1 4.28Å
111G89.1Confident91Very high35 Ų3539.4 Ų39.436%0.36123%0.23SC..THydrogen-bonded Turntrans88.515.9-177.900000114.5Q108 G113 S116Q108-G111 PolarHBondContact O-N 2.95Å; G111-G113 PolarHBondContact O-N 3.15Å; G111-S116 PolarHBondContact O-OG 3.23Å
112F92Very high90.9Very high38 Ų3838.7 Ų38.717%0.16723%0.228CC..  trans-67.3131176.4-84.3-126.8000111.6Y107 L110 S116 Q117 L121 I297Y107-F112 WeakPolarHBondContact O-CB 3.46Å; Y107-F112 WeakPolarHBondContact O-CD2 3.47Å; Y107-F112 PolarHBondContact O-N 2.83Å; L110-F112 HydrophobicContact CB-CD2 4.22Å; L110-F112 HydrophobicContact CB-CE2 4.45Å; F112-S116 WeakPolarHBondContact CA-O 3.46Å; F112-Q117 HydrophobicContact CD1-CB 4.15Å; F112-Q117 HydrophobicContact CD1-CG 4.44Å; F112-Q117 HydrophobicContact CE1-CB 4.27Å; F112-L121 HydrophobicContact CE1-CB 4.25Å; F112-I297 HydrophobicContact CD2-CD1 3.67Å; F112-I297 HydrophobicContact CD2-CG1 4.36Å; F112-I297 HydrophobicContact CE2-CD1 3.79Å; F112-I297 HydrophobicContact CE2-CG1 4.05Å; F112-I297 HydrophobicContact CE2-CG2 3.65Å; F112-I297 HydrophobicContact CG-CD1 4.42Å; F112-I297 HydrophobicContact CZ-CG2 3.72Å
113G91.8Very high91.1Very high22 Ų2241.7 Ų41.723%0.22724%0.235CC..BIsolated β-bridgetrans-150.2-179.1179.400000112.4G111 R115 S116 Q117G111-G113 PolarHBondContact O-N 3.15Å; G113-R115 PolarHBondContact O-N 2.9Å; G113-S116 WeakPolarHBondContact CA-OG 3.29Å; G113-S116 PolarHBondContact N-O 3.32Å; G113-S116 PolarHBondContact N-OG 3.12Å; G113-S116 PolarHBondContact O-N 3.46Å; G113-Q117 WeakPolarHBondContact O-CG 3.41Å; G113-Q117 PolarHBondContact O-NE2 3.34Å; G113-Q117 VanDerWaalsContact O-NE2 3.08Å
114P90.8Very high91.4Very high111 Ų11140.7 Ų40.772%0.72122%0.222SC*.THydrogen-bonded Turntrans-55.9-28.3-176.9-27.936.1000114.9
115R92.5Very high91.8Very high75 Ų7539.7 Ų39.728%0.28322%0.215SC..THydrogen-bonded Turntrans-118.510.7-179.7-56.6-60.8179.1165.5-3.4113.8G113 E287 S289 N291G113-R115 PolarHBondContact O-N 2.9Å; R115-E287 WeakPolarHBondContact CD-O 3.46Å; R115-E287 PolarHBondContact NE-O 3.29Å; R115-E287 PolarHBondContact NH1-O 3.2Å; R115-S289 WeakPolarHBondContact O-CA 3.47Å; R115-N291 PolarHBondContact O-ND2 2.88Å
116S94.8Very high92.3Very high13 Ų1341.6 Ų41.69%0.09123%0.227CC..BIsolated β-bridgetrans-13778.2-178.852.60000110G111 F112 G113 N294G111-S116 PolarHBondContact O-OG 3.23Å; F112-S116 WeakPolarHBondContact CA-O 3.46Å; G113-S116 WeakPolarHBondContact CA-OG 3.29Å; G113-S116 PolarHBondContact N-O 3.32Å; G113-S116 PolarHBondContact N-OG 3.12Å; G113-S116 PolarHBondContact O-N 3.46Å; S116-N294 WeakPolarHBondContact CA-OD1 3.33Å
117Q94.4Very high92.8Very high35 Ų3542 Ų4216%0.16423%0.231CC..  trans-129.99.3-177.1-50.3-17910.600113.2F112 G113 S122 N294F112-Q117 HydrophobicContact CD1-CB 4.15Å; F112-Q117 HydrophobicContact CD1-CG 4.44Å; F112-Q117 HydrophobicContact CE1-CB 4.27Å; G113-Q117 WeakPolarHBondContact O-CG 3.41Å; G113-Q117 PolarHBondContact O-NE2 3.34Å; G113-Q117 VanDerWaalsContact O-NE2 3.08Å; Q117-S122 WeakPolarHBondContact CB-OG 3.28Å; Q117-S122 WeakPolarHBondContact O-CB 3.24Å; Q117-S122 PolarHBondContact O-N 2.82Å; Q117-N294 PolarHBondContact N-OD1 2.82Å
118G96.2Very high93.2Very high0 Ų042.3 Ų42.30%023%0.232CC..  trans58.9-137.5-17400000112.6N294G118-N294 WeakPolarHBondContact CA-OD1 3.36Å; G118-N294 PolarHBondContact N-OD1 2.86Å
119V96.7Very high93.7Very high6 Ų641.9 Ų41.94%0.03623%0.225CC..SBendtrans-124.3-40-177.9-174.50000112.5W128 Q131 R132 N301 R459 L462V119-W128 VanDerWaalsContact O-CD1 3.29Å; V119-W128 PolarHBondContact O-NE1 3.15Å; V119-Q131 HydrophobicContact CG2-CB 3.77Å; V119-R132 HydrophobicContact CG1-CB 4.37Å; V119-N301 PolarHBondContact N-OD1 3.46Å; V119-N301 VanDerWaalsContact N-OD1 3.08Å; V119-R459 PolarHBondContact O-NH1 3Å; V119-L462 HydrophobicContact CB-CD2 4.39Å; V119-L462 HydrophobicContact CG1-CD2 3.52Å
120I94.7Very high94.2Very high54 Ų5442.7 Ų42.728%0.27723%0.225SC..SBendtrans-70.7-52.7-168.5-62.4173.1000110.9R101 N301 A305 R459R101-I120 PolarHBondContact NE-O 2.73Å; I120-N301 HydrophobicContact CD1-CB 3.75Å; I120-N301 WeakPolarHBondContact CD1-O 3.45Å; I120-N301 HydrophobicContact CG1-CB 4.07Å; I120-N301 PolarHBondContact N-OD1 3.18Å; I120-N301 VanDerWaalsContact N-OD1 3.08Å; I120-A305 HydrophobicContact CD1-CB 3.8Å; I120-R459 PolarHBondContact O-NH1 3.08Å
121L93.5Very high94.6Very high48 Ų4842.1 Ų42.125%0.25122%0.222SC..SBendtrans-101.6-2.9-174.2-59.3178.4000113.7Y107 F112Y107-L121 HydrophobicContact CD2-CD1 3.96Å; Y107-L121 HydrophobicContact CE1-CD1 4.02Å; Y107-L121 HydrophobicContact CE2-CD1 3.31Å; Y107-L121 WeakPolarHBondContact OH-CD1 3.43Å; F112-L121 HydrophobicContact CE1-CB 4.25Å
122S95.3Very high95Very high1 Ų142.7 Ų42.71%0.00721%0.213CC..  trans-55.2138.1176.6-171.60000111.8Q117 W128 R459Q117-S122 WeakPolarHBondContact CB-OG 3.28Å; Q117-S122 WeakPolarHBondContact O-CB 3.24Å; Q117-S122 PolarHBondContact O-N 2.82Å; S122-W128 WeakPolarHBondContact OG-CB 3.43Å; S122-R459 PolarHBondContact O-NH1 3.06Å; S122-R459 PolarHBondContact O-NH2 3.17Å
123R96.1Very high95.2Very high93 Ų9350.4 Ų50.435%0.35124%0.241SC..  trans-68.3149.8176.5-64.3-65.1-60.3-88.2-3.2110.9D100 R101 G125 W128D100-R123 WeakPolarHBondContact OD1-CA 3.43Å; D100-R123 IonicContact OD1-CZ 3.11Å; D100-R123 IonicContact OD1-NE 3.47Å; D100-R123 PolarHBondContact OD1-NE 3.1Å; D100-R123 IonicContact OD1-NH2 3.86Å; D100-R123 IonicContact OD2-CZ 3.26Å; D100-R123 IonicContact OD2-NE 2.71Å; D100-R123 PolarHBondContact OD2-NE 3.48Å; D100-R123 VanDerWaalsContact OD2-NE 3.12Å; D100-R123 IonicContact OD2-NH2 3.64Å; D100-R123 PolarHBondContact OD2-NH2 3.45Å; R101-R123 WeakPolarHBondContact O-CD 3.41Å; R101-R123 PolarHBondContact O-NE 3Å; R123-G125 PolarHBondContact O-N 3.49Å; R123-G125 VanDerWaalsContact O-N 3.11Å; R123-W128 VanDerWaalsContact O-CB 3.23Å; R123-W128 WeakPolarHBondContact O-CB 3.43Å
124Y96.7Very high95.5Very high55 Ų5549.9 Ų49.922%0.21623%0.233CC..THydrogen-bonded Turntrans-64.9115.4178.4-177-116.3000110.5E96 A99 D100 W128 R458E96-Y124 WeakPolarHBondContact O-CE1 3.17Å; A99-Y124 HydrophobicContact CB-CD2 3.55Å; A99-Y124 HydrophobicContact CB-CE2 3.75Å; A99-Y124 HydrophobicContact CB-CG 4.07Å; D100-Y124 PolarHBondContact OD1-N 2.97Å; Y124-W128 AromaticContact CD2-CE3 3.62Å; Y124-W128 HydrophobicContact CD2-CE3 3.62Å; Y124-W128 AromaticContact CD2-CZ3 3.66Å; Y124-W128 HydrophobicContact CD2-CZ3 3.66Å; Y124-W128 AromaticContact CE2-CE3 3.97Å; Y124-W128 HydrophobicContact CE2-CE3 3.97Å; Y124-W128 AromaticContact CE2-CZ3 3.59Å; Y124-W128 HydrophobicContact CE2-CZ3 3.59Å; Y124-R458 PolarHBondContact OH-NH1 3.05Å
125G95Very high95.7Very high11 Ų1144.6 Ų44.611%0.11320%0.199CC..THydrogen-bonded Turntrans173.2-175.4-17200000112.5R123 A127 W128 R129R123-G125 PolarHBondContact O-N 3.49Å; R123-G125 VanDerWaalsContact O-N 3.11Å; G125-A127 VanDerWaalsContact C-N 3.35Å; G125-A127 PolarHBondContact O-N 3.44Å; G125-W128 PolarHBondContact O-N 3.03Å; G125-R129 WeakPolarHBondContact O-CG 3.11Å; G125-R129 PolarHBondContact O-N 3.3Å
126P94.7Very high95.8Very high76 Ų7644 Ų4449%0.49420%0.204SC..Hα-helixtrans-59-41.5-178.822.5-32.3000112.9W128 R129 E130P126-W128 PolarHBondContact O-N 3.02Å; P126-R129 PolarHBondContact O-N 3.14Å; P126-E130 WeakPolarHBondContact O-CB 3.2Å; P126-E130 PolarHBondContact O-N 3.11Å
127A94.4Very high95.7Very high10 Ų1045.1 Ų45.18%0.08321%0.211CC..Hα-helixtrans-59.4-48.2178.900000112.4G125 Q131G125-A127 VanDerWaalsContact C-N 3.35Å; G125-A127 PolarHBondContact O-N 3.44Å; A127-Q131 WeakPolarHBondContact O-CG 3.36Å; A127-Q131 PolarHBondContact O-N 2.68Å; A127-Q131 VanDerWaalsContact O-N 3.15Å
128W97.2Very high95.7Very high13 Ų1343.9 Ų43.95%0.04921%0.206CC..Hα-helixtrans-62.6-45.6175.2172.669.7000112.2V119 S122 R123 Y124 G125 P126 E130 Q131 R132 R458 R459V119-W128 VanDerWaalsContact O-CD1 3.29Å; V119-W128 PolarHBondContact O-NE1 3.15Å; S122-W128 WeakPolarHBondContact OG-CB 3.43Å; R123-W128 VanDerWaalsContact O-CB 3.23Å; R123-W128 WeakPolarHBondContact O-CB 3.43Å; Y124-W128 AromaticContact CD2-CE3 3.62Å; Y124-W128 HydrophobicContact CD2-CE3 3.62Å; Y124-W128 AromaticContact CD2-CZ3 3.66Å; Y124-W128 HydrophobicContact CD2-CZ3 3.66Å; Y124-W128 AromaticContact CE2-CE3 3.97Å; Y124-W128 HydrophobicContact CE2-CE3 3.97Å; Y124-W128 AromaticContact CE2-CZ3 3.59Å; Y124-W128 HydrophobicContact CE2-CZ3 3.59Å; G125-W128 PolarHBondContact O-N 3.03Å; P126-W128 PolarHBondContact O-N 3.02Å; W128-E130 VanDerWaalsContact C-N 3.33Å; W128-E130 PolarHBondContact O-N 3.29Å; W128-Q131 PolarHBondContact O-N 2.75Å; W128-R132 HydrophobicContact CH2-CG 4.46Å; W128-R132 HydrophobicContact CZ2-CB 4.22Å; W128-R132 HydrophobicContact CZ2-CG 3.92Å; W128-R132 WeakPolarHBondContact O-CB 3.42Å; W128-R132 PolarHBondContact O-N 3.16Å; W128-R458 HydrophobicContact CH2-CB 4.01Å; W128-R458 WeakPolarHBondContact CH2-O 3.48Å; W128-R458 WeakPolarHBondContact CZ2-O 3.37Å; W128-R459 VanDerWaalsContact CE2-NE 3.34Å; W128-R459 HydrophobicContact CZ2-CG 4.16Å; W128-R459 VanDerWaalsContact NE1-CZ 3.33Å; W128-R459 VanDerWaalsContact NE1-NH1 3.19Å
129R96.7Very high95.4Very high116 Ų11644.3 Ų44.344%0.43821%0.208SC..Hα-helixtrans-63-40.7-178.6-71.3-175.1-132.3111.10.4111.9G125 P126 R133G125-R129 WeakPolarHBondContact O-CG 3.11Å; G125-R129 PolarHBondContact O-N 3.3Å; P126-R129 PolarHBondContact O-N 3.14Å; R129-R133 WeakPolarHBondContact O-CB 3.36Å; R129-R133 PolarHBondContact O-N 2.77Å
130E96.7Very high95Very high72 Ų7251 Ų5134%0.33623%0.233SC..Hα-helixtrans-62.1-52.3177.8-178168.8-121.800110.9P126 W128 R133 F134 S289 F290P126-E130 WeakPolarHBondContact O-CB 3.2Å; P126-E130 PolarHBondContact O-N 3.11Å; W128-E130 VanDerWaalsContact C-N 3.33Å; W128-E130 PolarHBondContact O-N 3.29Å; E130-R133 PolarHBondContact O-N 3.34Å; E130-F134 VanDerWaalsContact O-CB 3.3Å; E130-F134 WeakPolarHBondContact O-CB 3.45Å; E130-F134 PolarHBondContact O-N 3Å; E130-S289 WeakPolarHBondContact OE2-CB 3.48Å; E130-S289 PolarHBondContact OE2-N 3.11Å; E130-S289 PolarHBondContact OE2-OG 2.78Å; E130-F290 VanDerWaalsContact CD-CE2 3.47Å; E130-F290 HydrophobicContact CG-CD2 4.3Å; E130-F290 HydrophobicContact CG-CE2 3.51Å; E130-F290 HydrophobicContact CG-CZ 4.06Å
131Q97.7Very high94.6Very high1 Ų153 Ų531%0.00524%0.244CC..Hα-helixtrans-67.2-41.4179.3-66-58.1-34.400112.8V119 A127 W128 R133 F134 S135 S289 N294 V298V119-Q131 HydrophobicContact CG2-CB 3.77Å; A127-Q131 WeakPolarHBondContact O-CG 3.36Å; A127-Q131 PolarHBondContact O-N 2.68Å; A127-Q131 VanDerWaalsContact O-N 3.15Å; W128-Q131 PolarHBondContact O-N 2.75Å; Q131-R133 PolarHBondContact O-N 2.86Å; Q131-F134 WeakPolarHBondContact O-CB 3.33Å; Q131-F134 PolarHBondContact O-N 3.24Å; Q131-S135 PolarHBondContact O-N 3.34Å; Q131-S135 PolarHBondContact O-OG 3.47Å; Q131-S135 VanDerWaalsContact O-OG 3.1Å; Q131-S289 WeakPolarHBondContact CG-OG 3.45Å; Q131-S289 PolarHBondContact NE2-O 3.04Å; Q131-S289 PolarHBondContact NE2-OG 3.02Å; Q131-N294 VanDerWaalsContact CD-ND2 3.29Å; Q131-N294 WeakPolarHBondContact CG-ND2 3.34Å; Q131-N294 PolarHBondContact NE2-ND2 2.99Å; Q131-V298 HydrophobicContact CG-CG2 4.35Å
132R97.4Very high94.1Very high46 Ų4651.7 Ų51.717%0.17424%0.237CC..Hα-helixtrans-60.3-47.2175.8177.463.7-177.1-142.21.9111.4V119 W128 V136 A460V119-R132 HydrophobicContact CG1-CB 4.37Å; W128-R132 HydrophobicContact CH2-CG 4.46Å; W128-R132 HydrophobicContact CZ2-CB 4.22Å; W128-R132 HydrophobicContact CZ2-CG 3.92Å; W128-R132 WeakPolarHBondContact O-CB 3.42Å; W128-R132 PolarHBondContact O-N 3.16Å; R132-V136 WeakPolarHBondContact O-CB 3.43Å; R132-V136 VanDerWaalsContact O-CG2 3.27Å; R132-V136 WeakPolarHBondContact O-CG2 3.14Å; R132-V136 PolarHBondContact O-N 2.99Å; R132-A460 PolarHBondContact NH1-O 2.95Å; R132-A460 PolarHBondContact NH2-O 3.03Å
133R96.9Very high92.6Very high200 Ų20051.9 Ų51.976%0.75524%0.239SC*.Hα-helixtrans-63.7-43.5177.7178.7178.6-89.7177.4-6.7110.6R129 E130 Q131 S137R129-R133 WeakPolarHBondContact O-CB 3.36Å; R129-R133 PolarHBondContact O-N 2.77Å; E130-R133 PolarHBondContact O-N 3.34Å; Q131-R133 PolarHBondContact O-N 2.86Å; R133-S137 VanDerWaalsContact O-CB 3.25Å; R133-S137 WeakPolarHBondContact O-CB 3.29Å; R133-S137 PolarHBondContact O-N 3.21Å; R133-S137 PolarHBondContact O-OG 3.17Å; R133-S137 VanDerWaalsContact O-OG 3.05Å
134F97.2Very high90.6Very high11 Ų1150.7 Ų50.75%0.04824%0.239CC..Hα-helixtrans-55.8-59.9175170-103000111E130 Q131 V136 S137 T138 L271 A274 F275 K278 F290E130-F134 VanDerWaalsContact O-CB 3.3Å; E130-F134 WeakPolarHBondContact O-CB 3.45Å; E130-F134 PolarHBondContact O-N 3Å; Q131-F134 WeakPolarHBondContact O-CB 3.33Å; Q131-F134 PolarHBondContact O-N 3.24Å; F134-V136 PolarHBondContact O-N 3.27Å; F134-S137 PolarHBondContact O-N 2.97Å; F134-S137 VanDerWaalsContact O-N 3.11Å; F134-S137 PolarHBondContact O-OG 2.9Å; F134-T138 WeakPolarHBondContact CE2-OG1 3.27Å; F134-T138 WeakPolarHBondContact O-CB 3.4Å; F134-T138 PolarHBondContact O-N 2.68Å; F134-T138 PolarHBondContact O-OG1 3.09Å; F134-L271 HydrophobicContact CE1-CD1 4.28Å; F134-L271 HydrophobicContact CE1-CD2 3.95Å; F134-L271 HydrophobicContact CE1-CG 3.84Å; F134-L271 HydrophobicContact CZ-CD2 4.48Å; F134-L271 HydrophobicContact CZ-CG 4.13Å; F134-A274 HydrophobicContact CE2-CB 3.95Å; F134-A274 HydrophobicContact CZ-CB 3.99Å; F134-F275 HydrophobicContact CD1-CD2 4.32Å; F134-F275 HydrophobicContact CE1-CB 4.14Å; F134-F275 AromaticContact CE1-CD2 3.73Å; F134-F275 HydrophobicContact CE1-CD2 3.73Å; F134-F275 HydrophobicContact CE1-CG 4.41Å; F134-F275 HydrophobicContact CZ-CB 3.77Å; F134-F275 HydrophobicContact CZ-CD2 4.17Å; F134-F275 HydrophobicContact CZ-CG 4.41Å; F134-K278 HydrophobicContact CD2-CG 4.36Å; F134-K278 HydrophobicContact CE2-CG 4.26Å; F134-F290 HydrophobicContact CB-CE1 4.22Å; F134-F290 HydrophobicContact CB-CZ 3.93Å; F134-F290 HydrophobicContact CD1-CE1 4.12Å; F134-F290 AromaticContact CD2-CE1 3.76Å; F134-F290 HydrophobicContact CD2-CE1 3.76Å; F134-F290 AromaticContact CD2-CZ 3.94Å; F134-F290 HydrophobicContact CD2-CZ 3.94Å; F134-F290 HydrophobicContact CE1-CE1 4.49Å; F134-F290 HydrophobicContact CE2-CE1 4.14Å; F134-F290 AromaticContact CG-CE1 3.75Å; F134-F290 HydrophobicContact CG-CE1 3.75Å; F134-F290 AromaticContact CG-CZ 3.92Å; F134-F290 HydrophobicContact CG-CZ 3.92Å
135S95.9Very high88.4Confident0 Ų051.6 Ų51.60%027%0.266CS..Hα-helixtrans-56.8-45.3-177.8-56.50000112.7Q131 T138 L139Q131-S135 PolarHBondContact O-N 3.34Å; Q131-S135 PolarHBondContact O-OG 3.47Å; Q131-S135 VanDerWaalsContact O-OG 3.1Å; S135-T138 PolarHBondContact O-N 3.39Å; S135-L139 WeakPolarHBondContact O-CB 3.4Å; S135-L139 VanDerWaalsContact O-CG 3.32Å; S135-L139 WeakPolarHBondContact O-CG 3.48Å; S135-L139 PolarHBondContact O-N 2.94Å
136V93.9Very high86.6Confident64 Ų6458.2 Ų58.239%0.38829%0.291SS..Hα-helixtrans-63.1-44.5177.8171.10000111.3R132 F134 R140 L462R132-V136 WeakPolarHBondContact O-CB 3.43Å; R132-V136 VanDerWaalsContact O-CG2 3.27Å; R132-V136 WeakPolarHBondContact O-CG2 3.14Å; R132-V136 PolarHBondContact O-N 2.99Å; F134-V136 PolarHBondContact O-N 3.27Å; V136-R140 WeakPolarHBondContact O-CB 3.21Å; V136-R140 PolarHBondContact O-N 2.9Å; V136-L462 HydrophobicContact CG2-CB 3.96Å
137S93.4Very high85.2Confident35 Ų3561 Ų6125%0.24530%0.296CS..Hα-helixtrans-67.2-39179.670.20000112.3R133 F134 R140 N141R133-S137 VanDerWaalsContact O-CB 3.25Å; R133-S137 WeakPolarHBondContact O-CB 3.29Å; R133-S137 PolarHBondContact O-N 3.21Å; R133-S137 PolarHBondContact O-OG 3.17Å; R133-S137 VanDerWaalsContact O-OG 3.05Å; F134-S137 PolarHBondContact O-N 2.97Å; F134-S137 VanDerWaalsContact O-N 3.11Å; F134-S137 PolarHBondContact O-OG 2.9Å; S137-R140 PolarHBondContact O-N 2.87Å; S137-N141 WeakPolarHBondContact O-CB 3.18Å; S137-N141 PolarHBondContact O-N 2.76Å; S137-N141 PolarHBondContact O-ND2 3.31Å; S137-N141 PolarHBondContact O-OD1 2.8Å
138T93Very high84.5Confident10 Ų1062.3 Ų62.36%0.06131%0.305CS..Hα-helixtrans-69.8-46179.9-58.60000110.8F134 S135 R140 N141 L142 L271 A274F134-T138 WeakPolarHBondContact CE2-OG1 3.27Å; F134-T138 WeakPolarHBondContact O-CB 3.4Å; F134-T138 PolarHBondContact O-N 2.68Å; F134-T138 PolarHBondContact O-OG1 3.09Å; S135-T138 PolarHBondContact O-N 3.39Å; T138-R140 VanDerWaalsContact C-N 3.25Å; T138-R140 PolarHBondContact O-N 3.17Å; T138-N141 PolarHBondContact O-N 3.34Å; T138-N141 VanDerWaalsContact O-N 3.14Å; T138-L142 HydrophobicContact CG2-CD1 3.67Å; T138-L142 HydrophobicContact CG2-CG 4.14Å; T138-L142 WeakPolarHBondContact O-CB 3.2Å; T138-L142 WeakPolarHBondContact O-CG 3.31Å; T138-L142 PolarHBondContact O-N 2.67Å; T138-L271 HydrophobicContact CG2-CB 3.97Å; T138-L271 HydrophobicContact CG2-CD1 4.1Å; T138-L271 HydrophobicContact CG2-CG 4.03Å; T138-A274 HydrophobicContact CG2-CB 4.12Å
139L90Very high84Confident8 Ų861.7 Ų61.74%0.04230%0.302CS..Hα-helixtrans-53.5-44.3171-81.1166.6000111.7S135 G143 L144 L189 L462 L466S135-L139 WeakPolarHBondContact O-CB 3.4Å; S135-L139 VanDerWaalsContact O-CG 3.32Å; S135-L139 WeakPolarHBondContact O-CG 3.48Å; S135-L139 PolarHBondContact O-N 2.94Å; L139-G143 PolarHBondContact O-N 3.45Å; L139-L144 PolarHBondContact O-N 3.1Å; L139-L189 HydrophobicContact CD2-CD1 3.76Å; L139-L189 HydrophobicContact CD2-CD2 3.39Å; L139-L189 HydrophobicContact CD2-CG 4.21Å; L139-L189 HydrophobicContact CG-CD2 4.48Å; L139-L462 HydrophobicContact CD1-CD1 3.64Å; L139-L466 HydrophobicContact CD2-CD2 4.28Å
140R88Confident83.7Confident147 Ų14757.6 Ų57.656%0.55529%0.288SS*.Hα-helixtrans-65.1-44.2177.6-175.4-176.166.5-179.31.7112.6V136 S137 T138 G143 L144V136-R140 WeakPolarHBondContact O-CB 3.21Å; V136-R140 PolarHBondContact O-N 2.9Å; S137-R140 PolarHBondContact O-N 2.87Å; T138-R140 VanDerWaalsContact C-N 3.25Å; T138-R140 PolarHBondContact O-N 3.17Å; R140-G143 PolarHBondContact O-N 2.92Å; R140-L144 HydrophobicContact CB-CB 4.22Å; R140-L144 HydrophobicContact CB-CD1 4.2Å; R140-L144 HydrophobicContact CG-CB 4.02Å; R140-L144 CarbonylContact O-C 3.58Å; R140-L144 PolarHBondContact O-N 2.83Å
141N87.3Confident83.4Confident97 Ų9759.2 Ų59.252%0.51930%0.295SS..Hα-helixtrans-70.1-35.1-178.1-66.8-10.7000112.7S137 T138S137-N141 WeakPolarHBondContact O-CB 3.18Å; S137-N141 PolarHBondContact O-N 2.76Å; S137-N141 PolarHBondContact O-ND2 3.31Å; S137-N141 PolarHBondContact O-OD1 2.8Å; T138-N141 PolarHBondContact O-N 3.34Å; T138-N141 VanDerWaalsContact O-N 3.14Å
142L82.7Confident83.2Confident20 Ų2061.9 Ų61.911%0.10531%0.305CS..Hα-helixtrans-80.7-19.7178.2-67.5177.7000113.1T138 S148 L149 L189 R269T138-L142 HydrophobicContact CG2-CD1 3.67Å; T138-L142 HydrophobicContact CG2-CG 4.14Å; T138-L142 WeakPolarHBondContact O-CB 3.2Å; T138-L142 WeakPolarHBondContact O-CG 3.31Å; T138-L142 PolarHBondContact O-N 2.67Å; L142-S148 PolarHBondContact O-OG 2.61Å; L142-L149 PolarHBondContact O-N 3.35Å; L142-L189 HydrophobicContact CB-CD1 4.45Å; L142-L189 HydrophobicContact CD1-CD1 3.72Å; L142-R269 WeakPolarHBondContact CD2-O 3.49Å
143G62.7Low83.1Confident5 Ų559.7 Ų59.75%0.05230%0.297CS..THydrogen-bonded Turntrans-155.5-30.1-168.400000119.1L139 R140 G145L139-G143 PolarHBondContact O-N 3.45Å; R140-G143 PolarHBondContact O-N 2.92Å; G143-G145 PolarHBondContact O-N 3.13Å; G143-G145 VanDerWaalsContact O-N 3.11Å
144L55.5Low83Confident67 Ų6751 Ų5135%0.35127%0.266SS..SBendtrans-93.250.9-175.2-47.1166.1000111.3L139 R140 P465L139-L144 PolarHBondContact O-N 3.1Å; R140-L144 HydrophobicContact CB-CB 4.22Å; R140-L144 HydrophobicContact CB-CD1 4.2Å; R140-L144 HydrophobicContact CG-CB 4.02Å; R140-L144 CarbonylContact O-C 3.58Å; R140-L144 PolarHBondContact O-N 2.83Å; L144-P465 HydrophobicContact CD1-CB 3.59Å; L144-P465 HydrophobicContact CD1-CG 3.98Å; L144-P465 HydrophobicContact CD2-CB 3.5Å; L144-P465 VanDerWaalsContact CD2-CB 3.5Å; L144-P465 HydrophobicContact CG-CB 4.2Å
145G49.3Very low83Confident75 Ų7554.5 Ų54.577%0.77328%0.283SS*.SBendtrans160.8-10.5-179.800000115.4G143G143-G145 PolarHBondContact O-N 3.13Å; G143-G145 VanDerWaalsContact O-N 3.11Å
146K57.7Low83.1Confident149 Ų14954.7 Ų54.765%0.64828%0.284SS*.SBendtrans-124.7137.5169.3-64.4-177.4179.2-177.70107.8S148K146-S148 PolarHBondContact O-N 3.34Å
147K65.2Low83.3Confident135 Ų13551.7 Ų51.759%0.58727%0.266SS*.THydrogen-bonded Turntrans-61.44.8-176.1-73.7-157.5171.9-158.20115.2Q151 E364K147-Q151 WeakPolarHBondContact O-CB 3.23Å; K147-Q151 PolarHBondContact O-N 3.45Å; K147-E364 IonicContact NZ-OE2 3.5Å; K147-E364 PolarHBondContact NZ-OE2 2.85Å
148S79.3Confident83.5Confident38 Ų3851.6 Ų51.627%0.26627%0.267SS..Hα-helixtrans-66.6-46.8-175.934.60000114.1L142 K146 Q151 W152L142-S148 PolarHBondContact O-OG 2.61Å; K146-S148 PolarHBondContact O-N 3.34Å; S148-Q151 PolarHBondContact O-N 2.95Å; S148-W152 PolarHBondContact O-N 3.45Å
149L86.7Confident83.8Confident0 Ų053.2 Ų53.20%028%0.279CS..Hα-helixtrans-70-42.2179.6-169.688.4000111.6L142 Q151 W152 V153 L189 L466 M469L142-L149 PolarHBondContact O-N 3.35Å; L149-Q151 VanDerWaalsContact C-N 3.28Å; L149-Q151 PolarHBondContact O-N 2.55Å; L149-W152 HydrophobicContact CD1-CE3 4.03Å; L149-W152 HydrophobicContact CD1-CZ3 4.21Å; L149-W152 PolarHBondContact O-N 3.09Å; L149-V153 WeakPolarHBondContact O-CG2 3.44Å; L149-V153 PolarHBondContact O-N 3.49Å; L149-L189 HydrophobicContact CD1-CD1 4.14Å; L149-L466 HydrophobicContact CD1-CD1 4.17Å; L149-L466 HydrophobicContact CD2-CD1 3.69Å; L149-L466 HydrophobicContact CG-CD1 4.08Å; L149-M469 HydrophobicContact CB-SD 4.38Å; L149-M469 HydrophobicContact CD2-CE 3.95Å; L149-M469 HydrophobicContact CD2-SD 3.75Å; L149-M469 HydrophobicContact CG-SD 4.06Å
150E91Very high84.2Confident29 Ų2952.9 Ų52.914%0.13628%0.277CS..Hα-helixtrans-59.4-41.3174.2179.2174.3-178.500111.2V153 T154 E364 M365 M469 L473E150-V153 PolarHBondContact O-N 2.91Å; E150-T154 VanDerWaalsContact O-CB 3.3Å; E150-T154 WeakPolarHBondContact O-CB 3.19Å; E150-T154 PolarHBondContact O-N 3.25Å; E150-T154 PolarHBondContact O-OG1 2.96Å; E150-E364 WeakPolarHBondContact OE1-CA 3.14Å; E150-M365 HydrophobicContact CG-CG 4.19Å; E150-M365 PolarHBondContact OE1-N 2.7Å; E150-M469 HydrophobicContact CB-CE 4.37Å; E150-M469 HydrophobicContact CB-SD 4.07Å; E150-L473 HydrophobicContact CG-CD1 4.09Å
151Q91Very high84.7Confident106 Ų10646.4 Ų46.450%0.49525%0.254SS..Hα-helixtrans-60.8-48.2174.7179.3178.6-7.200111.6K147 S148 L149 V153 T154 E155K147-Q151 WeakPolarHBondContact O-CB 3.23Å; K147-Q151 PolarHBondContact O-N 3.45Å; S148-Q151 PolarHBondContact O-N 2.95Å; L149-Q151 VanDerWaalsContact C-N 3.28Å; L149-Q151 PolarHBondContact O-N 2.55Å; Q151-V153 VanDerWaalsContact C-N 3.35Å; Q151-V153 PolarHBondContact O-N 2.91Å; Q151-T154 PolarHBondContact O-N 3.47Å; Q151-E155 HydrophobicContact CG-CG 4.34Å; Q151-E155 VanDerWaalsContact CG-OE1 3.24Å; Q151-E155 WeakPolarHBondContact CG-OE1 3.37Å; Q151-E155 PolarHBondContact NE2-OE1 3.29Å; Q151-E155 WeakPolarHBondContact O-CB 3.48Å; Q151-E155 WeakPolarHBondContact O-CG 3.25Å; Q151-E155 PolarHBondContact O-N 3.49Å
152W92.1Very high85.2Confident57 Ų5744.3 Ų44.322%0.21625%0.25CS..Hα-helixtrans-59-44.6177.1-65.5-28.2000112.5S148 L149 T154 E155 E156S148-W152 PolarHBondContact O-N 3.45Å; L149-W152 HydrophobicContact CD1-CE3 4.03Å; L149-W152 HydrophobicContact CD1-CZ3 4.21Å; L149-W152 PolarHBondContact O-N 3.09Å; W152-T154 VanDerWaalsContact C-N 3.33Å; W152-T154 PolarHBondContact O-N 3.49Å; W152-E155 PolarHBondContact O-N 2.93Å; W152-E156 WeakPolarHBondContact O-CB 3.44Å; W152-E156 PolarHBondContact O-N 3.46Å
153V95.5Very high86Confident0 Ų043.9 Ų43.90%025%0.25CC..Hα-helixtrans-64.1-40.9177.91790000110.9L149 E150 Q151 E156 A157 V185 M469 E470 L473 F474L149-V153 WeakPolarHBondContact O-CG2 3.44Å; L149-V153 PolarHBondContact O-N 3.49Å; E150-V153 PolarHBondContact O-N 2.91Å; Q151-V153 VanDerWaalsContact C-N 3.35Å; Q151-V153 PolarHBondContact O-N 2.91Å; V153-E156 PolarHBondContact O-N 3.35Å; V153-A157 VanDerWaalsContact O-CB 3.27Å; V153-A157 WeakPolarHBondContact O-CB 3.45Å; V153-A157 PolarHBondContact O-N 3.14Å; V153-V185 HydrophobicContact CG2-CG1 3.71Å; V153-V185 HydrophobicContact CG2-CG2 4Å; V153-M469 HydrophobicContact CG2-CG 4.43Å; V153-M469 HydrophobicContact CG2-SD 4.18Å; V153-E470 HydrophobicContact CG1-CG 4.36Å; V153-E470 HydrophobicContact CG2-CG 4.09Å; V153-L473 HydrophobicContact CB-CD1 3.88Å; V153-L473 HydrophobicContact CG1-CB 3.76Å; V153-L473 HydrophobicContact CG1-CD1 3.64Å; V153-L473 HydrophobicContact CG1-CG 4.32Å; V153-F474 HydrophobicContact CG1-CD2 4.41Å; V153-F474 HydrophobicContact CG1-CE2 4.15Å; V153-F474 HydrophobicContact CG1-CZ 4.37Å
154T95.7Very high87.6Confident18 Ų1843.7 Ų43.711%0.1125%0.247CC..Hα-helixtrans-69.4-37.9180-56.10000112.4E150 Q151 W152 A158 R362E150-T154 VanDerWaalsContact O-CB 3.3Å; E150-T154 WeakPolarHBondContact O-CB 3.19Å; E150-T154 PolarHBondContact O-N 3.25Å; E150-T154 PolarHBondContact O-OG1 2.96Å; Q151-T154 PolarHBondContact O-N 3.47Å; W152-T154 VanDerWaalsContact C-N 3.33Å; W152-T154 PolarHBondContact O-N 3.49Å; T154-A158 PolarHBondContact O-N 3.38Å; T154-R362 HydrophobicContact CG2-CB 3.83Å; T154-R362 HydrophobicContact CG2-CG 4.33Å
155E96.4Very high89.7Confident84 Ų8442.7 Ų42.739%0.39325%0.248SC..Hα-helixtrans-65-46.4173-74.7171.7-175.500110.9Q151 W152 A157 A158 C159Q151-E155 HydrophobicContact CG-CG 4.34Å; Q151-E155 VanDerWaalsContact CG-OE1 3.24Å; Q151-E155 WeakPolarHBondContact CG-OE1 3.37Å; Q151-E155 PolarHBondContact NE2-OE1 3.29Å; Q151-E155 WeakPolarHBondContact O-CB 3.48Å; Q151-E155 WeakPolarHBondContact O-CG 3.25Å; Q151-E155 PolarHBondContact O-N 3.49Å; W152-E155 PolarHBondContact O-N 2.93Å; E155-A157 VanDerWaalsContact C-N 3.32Å; E155-A157 PolarHBondContact O-N 3.2Å; E155-A158 WeakPolarHBondContact O-CB 3.45Å; E155-A158 PolarHBondContact O-N 3.45Å; E155-A158 VanDerWaalsContact O-N 3.12Å; E155-C159 PolarHBondContact O-N 3.38Å; E155-C159 VanDerWaalsContact O-N 3.1Å
156E98.3Very high92Very high4 Ų444.9 Ų44.92%0.01924%0.242CC..Hα-helixtrans-68.5-32178.5-160.461.8-149.600112W152 V153 A158 C159 L160 A181 N184 V185 R194 Y197 F474W152-E156 WeakPolarHBondContact O-CB 3.44Å; W152-E156 PolarHBondContact O-N 3.46Å; V153-E156 PolarHBondContact O-N 3.35Å; E156-A158 VanDerWaalsContact C-N 3.28Å; E156-A158 PolarHBondContact O-N 3.24Å; E156-C159 WeakPolarHBondContact O-CB 3.46Å; E156-C159 PolarHBondContact O-N 3.29Å; E156-L160 WeakPolarHBondContact O-CB 3.4Å; E156-L160 PolarHBondContact O-N 3.3Å; E156-A181 HydrophobicContact CG-CB 4.2Å; E156-A181 WeakPolarHBondContact CG-O 3.21Å; E156-N184 HydrophobicContact CG-CB 3.81Å; E156-N184 WeakPolarHBondContact OE1-CB 3.24Å; E156-N184 PolarHBondContact OE1-ND2 3.49Å; E156-N184 WeakPolarHBondContact OE2-CB 3.46Å; E156-V185 HydrophobicContact CB-CG2 4.37Å; E156-R194 IonicContact OE1-CZ 2.7Å; E156-R194 IonicContact OE1-NE 2.75Å; E156-R194 IonicContact OE1-NH2 3.5Å; E156-R194 PolarHBondContact OE1-NH2 2.98Å; E156-R194 VanDerWaalsContact OE1-NH2 3.14Å; E156-R194 IonicContact OE2-CZ 2.89Å; E156-R194 IonicContact OE2-NE 3.92Å; E156-R194 PolarHBondContact OE2-NE 2.84Å; E156-R194 IonicContact OE2-NH2 3.96Å; E156-R194 PolarHBondContact OE2-NH2 3.26Å; E156-Y197 WeakPolarHBondContact OE1-CE1 3.3Å; E156-Y197 PolarHBondContact OE1-OH 2.85Å; E156-Y197 VanDerWaalsContact OE1-OH 3.11Å; E156-F474 HydrophobicContact CB-CE1 4.36Å; E156-F474 HydrophobicContact CB-CZ 4.31Å; E156-F474 HydrophobicContact CG-CE1 4.5Å; E156-F474 HydrophobicContact CG-CZ 4.36Å
157A98.4Very high93.8Very high2 Ų240.4 Ų40.42%0.01722%0.224CC..Hα-helixtrans-61.9-36.5171.500000111.8V153 E155 L160 C161 F474V153-A157 VanDerWaalsContact O-CB 3.27Å; V153-A157 WeakPolarHBondContact O-CB 3.45Å; V153-A157 PolarHBondContact O-N 3.14Å; E155-A157 VanDerWaalsContact C-N 3.32Å; E155-A157 PolarHBondContact O-N 3.2Å; A157-L160 PolarHBondContact O-N 3.28Å; A157-C161 WeakPolarHBondContact O-CB 3.48Å; A157-C161 PolarHBondContact O-N 2.81Å; A157-C161 PolarHBondContact O-SG 2.99Å; A157-F474 HydrophobicContact CB-CD1 3.71Å; A157-F474 HydrophobicContact CB-CE1 3.94Å
158A98.1Very high95.3Very high32 Ų3237.5 Ų37.526%0.26423%0.225SC..Hα-helixtrans-67.5-42.4173.300000111.8T154 E155 E156 L160 C161 A162T154-A158 PolarHBondContact O-N 3.38Å; E155-A158 WeakPolarHBondContact O-CB 3.45Å; E155-A158 PolarHBondContact O-N 3.45Å; E155-A158 VanDerWaalsContact O-N 3.12Å; E156-A158 VanDerWaalsContact C-N 3.28Å; E156-A158 PolarHBondContact O-N 3.24Å; A158-L160 VanDerWaalsContact C-N 3.34Å; A158-L160 PolarHBondContact O-N 3.21Å; A158-C161 PolarHBondContact O-N 3.16Å; A158-A162 PolarHBondContact O-N 2.89Å
159C98.4Very high95.9Very high45 Ų4536.9 Ų36.930%0.30423%0.225SC..Hα-helixtrans-60.5-42.3173.3-66.90000112E155 E156 A162 A163E155-C159 PolarHBondContact O-N 3.38Å; E155-C159 VanDerWaalsContact O-N 3.1Å; E156-C159 WeakPolarHBondContact O-CB 3.46Å; E156-C159 PolarHBondContact O-N 3.29Å; C159-A162 PolarHBondContact O-N 3.06Å; C159-A163 PolarHBondContact O-N 3.49Å
160L98.7Very high96.4Very high0 Ų044.4 Ų44.40%025%0.253CS..Hα-helixtrans-62.4-44.1175-179.160.8000111.9E156 A157 A158 A162 A163 F164 L177 L178 A181 Y197 F474 L478E156-L160 WeakPolarHBondContact O-CB 3.4Å; E156-L160 PolarHBondContact O-N 3.3Å; A157-L160 PolarHBondContact O-N 3.28Å; A158-L160 VanDerWaalsContact C-N 3.34Å; A158-L160 PolarHBondContact O-N 3.21Å; L160-A162 VanDerWaalsContact C-N 3.35Å; L160-A162 PolarHBondContact O-N 3.21Å; L160-A163 PolarHBondContact O-N 3.02Å; L160-F164 HydrophobicContact CD1-CD2 3.8Å; L160-F164 HydrophobicContact CD1-CE2 3.51Å; L160-F164 HydrophobicContact CG-CD2 4.26Å; L160-F164 HydrophobicContact CG-CE2 4.18Å; L160-F164 WeakPolarHBondContact O-CD2 3.35Å; L160-F164 PolarHBondContact O-N 3.39Å; L160-L177 HydrophobicContact CD1-CB 3.87Å; L160-L178 HydrophobicContact CD2-CD2 4.09Å; L160-A181 HydrophobicContact CB-CB 4.04Å; L160-A181 HydrophobicContact CD1-CB 4.01Å; L160-A181 HydrophobicContact CD2-CB 3.93Å; L160-A181 HydrophobicContact CG-CB 4.21Å; L160-Y197 PolarHBondContact N-OH 2.91Å; L160-F474 HydrophobicContact CD2-CD1 3.73Å; L160-F474 HydrophobicContact CD2-CE1 4.12Å; L160-F474 HydrophobicContact CD2-CG 4.49Å; L160-L478 HydrophobicContact CD2-CD1 4.07Å; L160-L478 HydrophobicContact CD2-CD2 4.19Å; L160-L478 HydrophobicContact CD2-CG 4.32Å; L160-L478 HydrophobicContact CG-CD2 4.18Å
161C98.4Very high96.7Very high12 Ų1246 Ų468%0.08127%0.266CS..Hα-helixtrans-61.8-42.2176.1-70.10000111.7A157 A158 A163 F164 A165 F482A157-C161 WeakPolarHBondContact O-CB 3.48Å; A157-C161 PolarHBondContact O-N 2.81Å; A157-C161 PolarHBondContact O-SG 2.99Å; A158-C161 PolarHBondContact O-N 3.16Å; C161-A163 PolarHBondContact O-N 2.94Å; C161-F164 PolarHBondContact O-N 3.3Å; C161-A165 PolarHBondContact O-N 2.64Å; C161-F482 HydrophobicContact CB-CE2 3.96Å; C161-F482 VanDerWaalsContact O-CZ 3.24Å; C161-F482 WeakPolarHBondContact O-CZ 3.32Å
162A98.4Very high97Very high53 Ų5341.7 Ų41.744%0.43825%0.246SC..Hα-helixtrans-59.2-47.4174.900000111.7A158 C159 L160 F164 A165 D166A158-A162 PolarHBondContact O-N 2.89Å; C159-A162 PolarHBondContact O-N 3.06Å; L160-A162 VanDerWaalsContact C-N 3.35Å; L160-A162 PolarHBondContact O-N 3.21Å; A162-F164 VanDerWaalsContact C-N 3.26Å; A162-F164 PolarHBondContact O-N 3.29Å; A162-A165 WeakPolarHBondContact O-CB 3.46Å; A162-A165 PolarHBondContact O-N 2.89Å; A162-D166 PolarHBondContact O-N 3.12Å
163A98.3Very high97.2Very high11 Ų1146.5 Ų46.59%0.09126%0.264CS..Hα-helixtrans-64.7-28.4178.100000113.8C159 L160 C161 Q167 L177 Y197C159-A163 PolarHBondContact O-N 3.49Å; L160-A163 PolarHBondContact O-N 3.02Å; C161-A163 PolarHBondContact O-N 2.94Å; A163-Q167 PolarHBondContact O-NE2 3.43Å; A163-L177 HydrophobicContact CB-CD1 4.13Å; A163-L177 HydrophobicContact CB-CD2 4.03Å; A163-Y197 HydrophobicContact CB-CD2 3.81Å; A163-Y197 HydrophobicContact CB-CE2 3.68Å
164F98.3Very high97.3Very high0 Ų046.5 Ų46.50%026%0.264CS..Hα-helixtrans-72.2-40.2171.1-90.7-130.7000111.6L160 C161 A162 D166 Q167 F172 P174 L177 L318 L478 F482 F484 A512L160-F164 HydrophobicContact CD1-CD2 3.8Å; L160-F164 HydrophobicContact CD1-CE2 3.51Å; L160-F164 HydrophobicContact CG-CD2 4.26Å; L160-F164 HydrophobicContact CG-CE2 4.18Å; L160-F164 WeakPolarHBondContact O-CD2 3.35Å; L160-F164 PolarHBondContact O-N 3.39Å; C161-F164 PolarHBondContact O-N 3.3Å; A162-F164 VanDerWaalsContact C-N 3.26Å; A162-F164 PolarHBondContact O-N 3.29Å; F164-D166 VanDerWaalsContact C-N 3.3Å; F164-D166 PolarHBondContact O-N 3.38Å; F164-Q167 WeakPolarHBondContact O-CB 3.41Å; F164-Q167 PolarHBondContact O-N 3.04Å; F164-F172 AromaticContact CD1-CZ 3.77Å; F164-F172 HydrophobicContact CD1-CZ 3.77Å; F164-F172 HydrophobicContact CD2-CE2 4.38Å; F164-F172 HydrophobicContact CD2-CZ 4.23Å; F164-F172 HydrophobicContact CE1-CE2 4.34Å; F164-F172 AromaticContact CE1-CZ 3.79Å; F164-F172 HydrophobicContact CE1-CZ 3.79Å; F164-F172 HydrophobicContact CE2-CE2 4.14Å; F164-F172 HydrophobicContact CE2-CZ 4.24Å; F164-F172 AromaticContact CG-CZ 3.99Å; F164-F172 HydrophobicContact CG-CZ 3.99Å; F164-F172 HydrophobicContact CZ-CE2 4.11Å; F164-F172 HydrophobicContact CZ-CZ 4.03Å; F164-P174 HydrophobicContact CZ-CB 3.88Å; F164-L177 HydrophobicContact CD2-CB 4.37Å; F164-L177 HydrophobicContact CD2-CD1 3.6Å; F164-L177 HydrophobicContact CE2-CB 3.78Å; F164-L177 HydrophobicContact CE2-CD1 3.71Å; F164-L177 HydrophobicContact CE2-CG 4.4Å; F164-L318 HydrophobicContact CE1-CD1 3.96Å; F164-L318 HydrophobicContact CZ-CD1 3.98Å; F164-L478 HydrophobicContact CD1-CD2 3.82Å; F164-L478 HydrophobicContact CD2-CD2 4.47Å; F164-L478 HydrophobicContact CE1-CD2 3.9Å; F164-L478 HydrophobicContact CG-CD2 4.14Å; F164-L478 HydrophobicContact CZ-CD2 4.27Å; F164-F482 HydrophobicContact CB-CD2 4.4Å; F164-F482 HydrophobicContact CB-CE1 4.32Å; F164-F482 HydrophobicContact CB-CE2 3.8Å; F164-F482 HydrophobicContact CB-CZ 3.75Å; F164-F484 AromaticContact CD1-CE1 3.69Å; F164-F484 HydrophobicContact CD1-CE1 3.69Å; F164-F484 HydrophobicContact CD1-CZ 4.02Å; F164-F484 AromaticContact CE1-CE1 3.59Å; F164-F484 HydrophobicContact CE1-CE1 3.59Å; F164-F484 AromaticContact CE1-CZ 3.94Å; F164-F484 HydrophobicContact CE1-CZ 3.94Å; F164-A512 HydrophobicContact CD1-CB 4.08Å
165A97.9Very high97.3Very high46 Ų4648.1 Ų48.138%0.3827%0.272SS..Hα-helixtrans-62-37.6176.200000112C161 A162 Q167 A168 F482C161-A165 PolarHBondContact O-N 2.64Å; A162-A165 WeakPolarHBondContact O-CB 3.46Å; A162-A165 PolarHBondContact O-N 2.89Å; A165-Q167 PolarHBondContact O-N 3.13Å; A165-Q167 VanDerWaalsContact O-N 3.13Å; A165-A168 WeakPolarHBondContact O-CA 3.31Å; A165-A168 PolarHBondContact O-N 3.24Å; A165-F482 HydrophobicContact CB-CE1 4.22Å; A165-F482 HydrophobicContact CB-CZ 4Å
166D97.4Very high97.3Very high121 Ų12145.8 Ų45.865%0.64727%0.271SS*.THydrogen-bonded Turntrans-61.9-19.3177.7-69.5-21.1000113.8A162 F164 A168A162-D166 PolarHBondContact O-N 3.12Å; F164-D166 VanDerWaalsContact C-N 3.3Å; F164-D166 PolarHBondContact O-N 3.38Å; D166-A168 PolarHBondContact O-N 2.88Å
167Q96.7Very high97.3Very high55 Ų5546.6 Ų46.626%0.25728%0.275SS..THydrogen-bonded Turntrans-68.9-16.9172.6-53.8-55.8-41.900111.9A163 F164 A165 G169 R170 F172A163-Q167 PolarHBondContact O-NE2 3.43Å; F164-Q167 WeakPolarHBondContact O-CB 3.41Å; F164-Q167 PolarHBondContact O-N 3.04Å; A165-Q167 PolarHBondContact O-N 3.13Å; A165-Q167 VanDerWaalsContact O-N 3.13Å; Q167-G169 VanDerWaalsContact C-N 3.29Å; Q167-G169 PolarHBondContact O-N 3.3Å; Q167-R170 VanDerWaalsContact O-CB 3.24Å; Q167-R170 WeakPolarHBondContact O-CB 3.44Å; Q167-R170 WeakPolarHBondContact O-CG 3.5Å; Q167-R170 PolarHBondContact O-N 3.06Å; Q167-R170 PolarHBondContact O-NE 3.39Å; Q167-R170 VanDerWaalsContact O-NE 3.14Å; Q167-F172 HydrophobicContact CB-CD1 3.72Å; Q167-F172 HydrophobicContact CB-CE1 3.86Å; Q167-F172 HydrophobicContact CB-CG 4.28Å; Q167-F172 HydrophobicContact CG-CB 4.49Å; Q167-F172 HydrophobicContact CG-CD1 3.62Å; Q167-F172 HydrophobicContact CG-CD2 3.98Å; Q167-F172 HydrophobicContact CG-CE1 3.69Å; Q167-F172 HydrophobicContact CG-CE2 4.05Å; Q167-F172 HydrophobicContact CG-CG 3.77Å; Q167-F172 HydrophobicContact CG-CZ 3.91Å
168A95.4Very high97.3Very high75 Ų7546.5 Ų46.562%0.6227%0.274SS*.THydrogen-bonded Turntrans54.141.2174.500000113.3A165 D166 R170A165-A168 WeakPolarHBondContact O-CA 3.31Å; A165-A168 PolarHBondContact O-N 3.24Å; D166-A168 PolarHBondContact O-N 2.88Å; A168-R170 PolarHBondContact O-N 3.08Å; A168-R170 VanDerWaalsContact O-N 3.15Å
169G93.5Very high97.2Very high25 Ų2545.8 Ų45.826%0.25827%0.266SS..THydrogen-bonded Turntrans71.9-1.5-178.300000115.3Q167 C511 A512Q167-G169 VanDerWaalsContact C-N 3.29Å; Q167-G169 PolarHBondContact O-N 3.3Å; G169-C511 PolarHBondContact O-SG 2.64Å; G169-A512 WeakPolarHBondContact CA-O 3.28Å
170R96.2Very high97.2Very high158 Ų15845.6 Ų45.660%0.59626%0.26SS*.  trans-67.2146.6175.9-65.1178.3-77.7-164.3-3.4110.4Q167 A168 F172Q167-R170 VanDerWaalsContact O-CB 3.24Å; Q167-R170 WeakPolarHBondContact O-CB 3.44Å; Q167-R170 WeakPolarHBondContact O-CG 3.5Å; Q167-R170 PolarHBondContact O-N 3.06Å; Q167-R170 PolarHBondContact O-NE 3.39Å; Q167-R170 VanDerWaalsContact O-NE 3.14Å; A168-R170 PolarHBondContact O-N 3.08Å; A168-R170 VanDerWaalsContact O-N 3.15Å; R170-F172 WeakPolarHBondContact O-CD1 3.43Å; R170-F172 PolarHBondContact O-N 3.39Å
171P97.2Very high97.2Very high61 Ų6145.6 Ų45.640%0.39626%0.26SS..  trans-58.9132.7172-23.134000111.3A487 E509 L510P171-A487 HydrophobicContact CB-CB 3.79Å; P171-A487 HydrophobicContact CG-CB 3.54Å; P171-E509 HydrophobicContact CB-CB 4.3Å; P171-L510 WeakPolarHBondContact CA-O 3.49Å
172F97.8Very high97.2Very high17 Ų1745 Ų458%0.07526%0.256CS..BIsolated β-bridgetrans-150.5163174.272.7-76.2000111.2F164 Q167 R170 P174 L177 E509 L510 A512F164-F172 AromaticContact CD1-CZ 3.77Å; F164-F172 HydrophobicContact CD1-CZ 3.77Å; F164-F172 HydrophobicContact CD2-CE2 4.38Å; F164-F172 HydrophobicContact CD2-CZ 4.23Å; F164-F172 HydrophobicContact CE1-CE2 4.34Å; F164-F172 AromaticContact CE1-CZ 3.79Å; F164-F172 HydrophobicContact CE1-CZ 3.79Å; F164-F172 HydrophobicContact CE2-CE2 4.14Å; F164-F172 HydrophobicContact CE2-CZ 4.24Å; F164-F172 AromaticContact CG-CZ 3.99Å; F164-F172 HydrophobicContact CG-CZ 3.99Å; F164-F172 HydrophobicContact CZ-CE2 4.11Å; F164-F172 HydrophobicContact CZ-CZ 4.03Å; Q167-F172 HydrophobicContact CB-CD1 3.72Å; Q167-F172 HydrophobicContact CB-CE1 3.86Å; Q167-F172 HydrophobicContact CB-CG 4.28Å; Q167-F172 HydrophobicContact CG-CB 4.49Å; Q167-F172 HydrophobicContact CG-CD1 3.62Å; Q167-F172 HydrophobicContact CG-CD2 3.98Å; Q167-F172 HydrophobicContact CG-CE1 3.69Å; Q167-F172 HydrophobicContact CG-CE2 4.05Å; Q167-F172 HydrophobicContact CG-CG 3.77Å; Q167-F172 HydrophobicContact CG-CZ 3.91Å; R170-F172 WeakPolarHBondContact O-CD1 3.43Å; R170-F172 PolarHBondContact O-N 3.39Å; F172-P174 HydrophobicContact CE2-CB 4.16Å; F172-L177 HydrophobicContact CD2-CD1 4.47Å; F172-L177 HydrophobicContact CE2-CD1 3.94Å; F172-E509 VanDerWaalsContact O-CA 3.29Å; F172-E509 WeakPolarHBondContact O-CA 3.48Å; F172-L510 HydrophobicContact CD1-CD1 4.19Å; F172-L510 HydrophobicContact CE1-CD1 3.53Å; F172-L510 HydrophobicContact CE2-CD1 4.49Å; F172-L510 HydrophobicContact CZ-CD1 3.71Å; F172-L510 PolarHBondContact N-O 2.89Å; F172-L510 VanDerWaalsContact N-O 3.11Å; F172-L510 PolarHBondContact O-N 2.61Å; F172-A512 HydrophobicContact CE1-CB 4.01Å; F172-A512 HydrophobicContact CZ-CB 4.41Å
173R97.1Very high97.2Very high158 Ų15842.5 Ų42.560%0.59624%0.235SC*.  trans-88.5120.6172.5-61.8-171179.3141.82.6110.2N175 E509R173-N175 VanDerWaalsContact C-N 3.35Å; R173-N175 PolarHBondContact O-N 3.03Å; R173-E509 HydrophobicContact CG-CG 3.75Å
174P97.6Very high97.1Very high0 Ų042 Ų420%023%0.231CC..SBendtrans-76.3-19.9-173.630.4-35.9000113.9F164 F172 G176 L177 L178 L318 Y508 L510F164-P174 HydrophobicContact CZ-CB 3.88Å; F172-P174 HydrophobicContact CE2-CB 4.16Å; P174-G176 PolarHBondContact O-N 3.35Å; P174-L177 PolarHBondContact O-N 3.26Å; P174-L178 HydrophobicContact CB-CD1 4.19Å; P174-L178 HydrophobicContact CB-CG 4.43Å; P174-L178 WeakPolarHBondContact O-CG 3.49Å; P174-L178 PolarHBondContact O-N 3.15Å; P174-L318 HydrophobicContact CB-CD1 3.9Å; P174-L318 HydrophobicContact CG-CD1 4.25Å; P174-Y508 HydrophobicContact CG-CE2 3.98Å; P174-L510 HydrophobicContact CB-CD2 4.49Å; P174-L510 HydrophobicContact CG-CD2 4.07Å; P174-L510 HydrophobicContact CG-CG 4.28Å
175N95.5Very high97.1Very high51 Ų5142 Ų4227%0.27323%0.231SC..Hα-helixtrans-49.5-49.9-171.2-61.566.1000113.4R173 L177 L178 D179R173-N175 VanDerWaalsContact C-N 3.35Å; R173-N175 PolarHBondContact O-N 3.03Å; N175-L177 VanDerWaalsContact C-N 3.3Å; N175-L177 PolarHBondContact O-N 3.43Å; N175-L178 PolarHBondContact O-N 2.86Å; N175-D179 WeakPolarHBondContact O-CB 3.42Å; N175-D179 PolarHBondContact O-N 2.88Å
176G95.6Very high96.9Very high36 Ų3640 Ų4037%0.37121%0.214SC..Hα-helixtrans-65-31.2-17700000113.8P174 K180P174-G176 PolarHBondContact O-N 3.35Å; G176-K180 WeakPolarHBondContact O-CD 3.39Å; G176-K180 WeakPolarHBondContact O-CG 3.4Å; G176-K180 PolarHBondContact O-N 3.46Å
177L98.3Very high96.8Very high21 Ų2134.2 Ų34.211%0.1118%0.183CC..Hα-helixtrans-77-38.9174.8-67.9-177.7000111.4L160 A163 F164 F172 P174 N175 K180 A181 Y197L160-L177 HydrophobicContact CD1-CB 3.87Å; A163-L177 HydrophobicContact CB-CD1 4.13Å; A163-L177 HydrophobicContact CB-CD2 4.03Å; F164-L177 HydrophobicContact CD2-CB 4.37Å; F164-L177 HydrophobicContact CD2-CD1 3.6Å; F164-L177 HydrophobicContact CE2-CB 3.78Å; F164-L177 HydrophobicContact CE2-CD1 3.71Å; F164-L177 HydrophobicContact CE2-CG 4.4Å; F172-L177 HydrophobicContact CD2-CD1 4.47Å; F172-L177 HydrophobicContact CE2-CD1 3.94Å; P174-L177 PolarHBondContact O-N 3.26Å; N175-L177 VanDerWaalsContact C-N 3.3Å; N175-L177 PolarHBondContact O-N 3.43Å; L177-K180 HydrophobicContact CD2-CD 4.5Å; L177-K180 PolarHBondContact O-N 2.82Å; L177-A181 PolarHBondContact O-N 2.96Å; L177-Y197 HydrophobicContact CD2-CD2 4.37Å
178L98.4Very high96.7Very high0 Ų032.2 Ų32.20%018%0.175CC..Hα-helixtrans-62.6-43.8174.8-64.8174.8000111.5L160 P174 N175 K180 A181 V182 L314 A315 L318 L478L160-L178 HydrophobicContact CD2-CD2 4.09Å; P174-L178 HydrophobicContact CB-CD1 4.19Å; P174-L178 HydrophobicContact CB-CG 4.43Å; P174-L178 WeakPolarHBondContact O-CG 3.49Å; P174-L178 PolarHBondContact O-N 3.15Å; N175-L178 PolarHBondContact O-N 2.86Å; L178-K180 VanDerWaalsContact C-N 3.34Å; L178-K180 PolarHBondContact O-N 2.92Å; L178-A181 PolarHBondContact O-N 2.89Å; L178-V182 WeakPolarHBondContact O-CB 3.37Å; L178-V182 VanDerWaalsContact O-CG2 3.32Å; L178-V182 WeakPolarHBondContact O-CG2 3.36Å; L178-V182 PolarHBondContact O-N 3.43Å; L178-L314 HydrophobicContact CD1-CB 4Å; L178-L314 HydrophobicContact CD2-CB 3.97Å; L178-L314 HydrophobicContact CD2-CD1 4.19Å; L178-L314 HydrophobicContact CG-CB 4.49Å; L178-A315 HydrophobicContact CD1-CB 3.9Å; L178-L318 HydrophobicContact CD1-CD1 4.15Å; L178-L318 HydrophobicContact CD2-CD1 4.38Å; L178-L478 HydrophobicContact CD2-CD1 4.31Å
179D97.2Very high96.6Very high16 Ų1628.7 Ų28.79%0.08615%0.146CC..Hα-helixtrans-59.4-44.6176.9-71-30.6000111.2N175 S183 Q210 S311N175-D179 WeakPolarHBondContact O-CB 3.42Å; N175-D179 PolarHBondContact O-N 2.88Å; D179-S183 WeakPolarHBondContact O-CB 3.4Å; D179-S183 PolarHBondContact O-N 3.45Å; D179-S183 PolarHBondContact O-OG 3.06Å; D179-Q210 PolarHBondContact OD2-NE2 3.04Å; D179-S311 WeakPolarHBondContact OD1-CB 3.41Å; D179-S311 PolarHBondContact OD1-OG 3.35Å
180K98.3Very high96.6Very high41 Ų4127.5 Ų27.518%0.17813%0.134CC..Hα-helixtrans-63.6-49178-70.4168.9-169.4-166.30112.2G176 L177 L178 S183 N184 Y197 F202 L206G176-K180 WeakPolarHBondContact O-CD 3.39Å; G176-K180 WeakPolarHBondContact O-CG 3.4Å; G176-K180 PolarHBondContact O-N 3.46Å; L177-K180 HydrophobicContact CD2-CD 4.5Å; L177-K180 PolarHBondContact O-N 2.82Å; L178-K180 VanDerWaalsContact C-N 3.34Å; L178-K180 PolarHBondContact O-N 2.92Å; K180-S183 PolarHBondContact O-N 2.87Å; K180-N184 PolarHBondContact O-N 3.43Å; K180-Y197 HydrophobicContact CB-CD1 3.56Å; K180-Y197 HydrophobicContact CB-CE1 3.63Å; K180-Y197 HydrophobicContact CB-CG 4.27Å; K180-Y197 HydrophobicContact CD-CD1 4.05Å; K180-Y197 HydrophobicContact CD-CG 3.97Å; K180-Y197 WeakPolarHBondContact CE-O 3.48Å; K180-Y197 HydrophobicContact CG-CD1 4.29Å; K180-Y197 PolarHBondContact NZ-O 2.87Å; K180-F202 HydrophobicContact CB-CE1 3.92Å; K180-F202 HydrophobicContact CB-CZ 4.48Å; K180-F202 HydrophobicContact CG-CE1 4.01Å; K180-F202 WeakPolarHBondContact O-CZ 3.5Å; K180-L206 HydrophobicContact CB-CD1 4.45Å; K180-L206 HydrophobicContact CG-CD1 3.6Å
181A98.5Very high96.4Very high1 Ų120.6 Ų20.61%0.00811%0.109CC..Hα-helixtrans-61.5-50.7-178.600000111.8E156 L160 L177 L178 S183 N184 V185 Y197 F474E156-A181 HydrophobicContact CG-CB 4.2Å; E156-A181 WeakPolarHBondContact CG-O 3.21Å; L160-A181 HydrophobicContact CB-CB 4.04Å; L160-A181 HydrophobicContact CD1-CB 4.01Å; L160-A181 HydrophobicContact CD2-CB 3.93Å; L160-A181 HydrophobicContact CG-CB 4.21Å; L177-A181 PolarHBondContact O-N 2.96Å; L178-A181 PolarHBondContact O-N 2.89Å; A181-S183 VanDerWaalsContact C-N 3.3Å; A181-S183 PolarHBondContact O-N 3.47Å; A181-N184 WeakPolarHBondContact O-CB 3.21Å; A181-N184 PolarHBondContact O-N 3.34Å; A181-N184 VanDerWaalsContact O-N 3.16Å; A181-V185 PolarHBondContact O-N 3.41Å; A181-Y197 WeakPolarHBondContact CB-OH 3.35Å; A181-F474 HydrophobicContact CB-CE1 3.96Å; A181-F474 HydrophobicContact CB-CZ 4.07Å
182V97.8Very high96.1Very high0 Ų019.3 Ų19.30%011%0.107CC..Hα-helixtrans-61.6-41.4178.2171.40000110.7L178 N184 V185 I186 G306 M307 T310 L314 E470 F474L178-V182 WeakPolarHBondContact O-CB 3.37Å; L178-V182 VanDerWaalsContact O-CG2 3.32Å; L178-V182 WeakPolarHBondContact O-CG2 3.36Å; L178-V182 PolarHBondContact O-N 3.43Å; V182-N184 VanDerWaalsContact C-N 3.28Å; V182-N184 PolarHBondContact O-N 2.81Å; V182-V185 WeakPolarHBondContact O-CB 3.39Å; V182-V185 PolarHBondContact O-N 3.45Å; V182-V185 VanDerWaalsContact O-N 3.13Å; V182-I186 PolarHBondContact O-N 3.19Å; V182-G306 VanDerWaalsContact CG1-O 3.25Å; V182-G306 WeakPolarHBondContact CG1-O 3.48Å; V182-M307 WeakPolarHBondContact CG1-O 3.33Å; V182-T310 HydrophobicContact CG1-CG2 4.34Å; V182-T310 HydrophobicContact CG2-CG2 4.02Å; V182-L314 HydrophobicContact CG2-CD1 3.91Å; V182-E470 WeakPolarHBondContact CG1-OE2 3.21Å; V182-F474 HydrophobicContact CG2-CE2 4.19Å
183S97.6Very high95.9Very high0 Ų023.3 Ų23.30%012%0.122CC..Hα-helixtrans-64.6-32.6177.9-62.90000113.1D179 K180 A181 V185 I186 A187 L206 M307D179-S183 WeakPolarHBondContact O-CB 3.4Å; D179-S183 PolarHBondContact O-N 3.45Å; D179-S183 PolarHBondContact O-OG 3.06Å; K180-S183 PolarHBondContact O-N 2.87Å; A181-S183 VanDerWaalsContact C-N 3.3Å; A181-S183 PolarHBondContact O-N 3.47Å; S183-V185 VanDerWaalsContact C-N 3.34Å; S183-I186 PolarHBondContact O-N 3.31Å; S183-A187 WeakPolarHBondContact O-CB 3.34Å; S183-A187 PolarHBondContact O-N 2.88Å; S183-L206 WeakPolarHBondContact OG-CD2 3.26Å; S183-M307 WeakPolarHBondContact OG-CG 3.36Å; S183-M307 PolarHBondContact OG-SD 3.29Å
184N97.9Very high95.8Very high0 Ų019.1 Ų19.10%011%0.106CC..Hα-helixtrans-68.7-31.6174.2-90-21.6000112.8E156 K180 A181 V182 I186 A187 S188 R194 F195E156-N184 HydrophobicContact CG-CB 3.81Å; E156-N184 WeakPolarHBondContact OE1-CB 3.24Å; E156-N184 PolarHBondContact OE1-ND2 3.49Å; E156-N184 WeakPolarHBondContact OE2-CB 3.46Å; K180-N184 PolarHBondContact O-N 3.43Å; A181-N184 WeakPolarHBondContact O-CB 3.21Å; A181-N184 PolarHBondContact O-N 3.34Å; A181-N184 VanDerWaalsContact O-N 3.16Å; V182-N184 VanDerWaalsContact C-N 3.28Å; V182-N184 PolarHBondContact O-N 2.81Å; N184-I186 VanDerWaalsContact C-N 3.34Å; N184-A187 PolarHBondContact O-N 3.29Å; N184-S188 WeakPolarHBondContact O-CB 3.3Å; N184-S188 PolarHBondContact O-N 2.83Å; N184-S188 PolarHBondContact O-OG 2.83Å; N184-R194 HydrophobicContact CB-CB 4.23Å; N184-R194 PolarHBondContact ND2-NH2 2.71Å; N184-F195 PolarHBondContact ND2-O 2.9Å; N184-F195 PolarHBondContact OD1-N 3.48Å; N184-F195 PolarHBondContact OD1-O 3.21Å
185V96.4Very high95.8Very high1 Ų119.4 Ų19.41%0.00611%0.107CC..Hα-helixtrans-62.3-45.6170.41770000110.1V153 E156 A181 V182 S183 S188 L189 L466 E470 F474V153-V185 HydrophobicContact CG2-CG1 3.71Å; V153-V185 HydrophobicContact CG2-CG2 4Å; E156-V185 HydrophobicContact CB-CG2 4.37Å; A181-V185 PolarHBondContact O-N 3.41Å; V182-V185 WeakPolarHBondContact O-CB 3.39Å; V182-V185 PolarHBondContact O-N 3.45Å; V182-V185 VanDerWaalsContact O-N 3.13Å; S183-V185 VanDerWaalsContact C-N 3.34Å; V185-S188 PolarHBondContact O-N 2.84Å; V185-L189 WeakPolarHBondContact O-CB 3.39Å; V185-L189 PolarHBondContact O-N 3.23Å; V185-L466 HydrophobicContact CG1-CD1 3.89Å; V185-E470 HydrophobicContact CG1-CG 4.06Å; V185-F474 HydrophobicContact CG2-CE2 3.92Å; V185-F474 HydrophobicContact CG2-CZ 3.71Å
186I95.4Very high95.9Very high3 Ų322.4 Ų22.42%0.01512%0.12CC..Hα-helixtrans-69.2-39.4177.9-50.2-56.7000111.8V182 S183 N184 S188 L189 T190 F303 L466V182-I186 PolarHBondContact O-N 3.19Å; S183-I186 PolarHBondContact O-N 3.31Å; N184-I186 VanDerWaalsContact C-N 3.34Å; I186-S188 VanDerWaalsContact C-N 3.3Å; I186-S188 PolarHBondContact O-N 2.96Å; I186-L189 WeakPolarHBondContact O-CB 3.27Å; I186-L189 PolarHBondContact O-N 3.43Å; I186-T190 HydrophobicContact CG2-CG2 3.98Å; I186-T190 WeakPolarHBondContact O-CG2 3.41Å; I186-T190 PolarHBondContact O-N 3.12Å; I186-T190 PolarHBondContact O-OG1 3.15Å; I186-F303 HydrophobicContact CB-CD2 4.46Å; I186-F303 HydrophobicContact CG2-CB 4.31Å; I186-F303 HydrophobicContact CG2-CD2 4.2Å; I186-L466 HydrophobicContact CD1-CD2 3.7Å
187A95.2Very high96Very high0 Ų022.1 Ų22.10%011%0.108CC..Hα-helixtrans-61.4-38.417500000111.9S183 N184 C191 G192 R193 F195 F303S183-A187 WeakPolarHBondContact O-CB 3.34Å; S183-A187 PolarHBondContact O-N 2.88Å; N184-A187 PolarHBondContact O-N 3.29Å; A187-C191 CarbonylContact O-C 3.47Å; A187-C191 VanDerWaalsContact O-CA 3.25Å; A187-C191 WeakPolarHBondContact O-CA 3.42Å; A187-C191 VanDerWaalsContact O-CB 3.27Å; A187-C191 WeakPolarHBondContact O-CB 3.37Å; A187-C191 PolarHBondContact O-N 3.1Å; A187-G192 PolarHBondContact O-N 3.12Å; A187-R193 CarbonylContact C-O 3.6Å; A187-R193 VanDerWaalsContact CB-O 3.29Å; A187-R193 WeakPolarHBondContact CB-O 3.16Å; A187-F195 HydrophobicContact CB-CD2 4.04Å; A187-F195 HydrophobicContact CB-CE2 3.77Å; A187-F303 HydrophobicContact CB-CE2 4.31Å
188S94Very high96Very high12 Ų1227 Ų278%0.08413%0.134CC..Hα-helixtrans-66.5-43.7175-59.80000110.8N184 V185 I186 G192 R193N184-S188 WeakPolarHBondContact O-CB 3.3Å; N184-S188 PolarHBondContact O-N 2.83Å; N184-S188 PolarHBondContact O-OG 2.83Å; V185-S188 PolarHBondContact O-N 2.84Å; I186-S188 VanDerWaalsContact C-N 3.3Å; I186-S188 PolarHBondContact O-N 2.96Å; S188-G192 VanDerWaalsContact O-CA 3.24Å; S188-G192 WeakPolarHBondContact O-CA 3.48Å; S188-G192 PolarHBondContact O-N 3.44Å; S188-R193 PolarHBondContact N-O 2.85Å; S188-R193 VanDerWaalsContact N-O 3.15Å
189L93.2Very high95.9Very high2 Ų228.5 Ų28.51%0.0114%0.142CC..Hα-helixtrans-62.7-42.7176.1172.468.6000113.2L139 L142 L149 V185 I186 D270 L271 L466L139-L189 HydrophobicContact CD2-CD1 3.76Å; L139-L189 HydrophobicContact CD2-CD2 3.39Å; L139-L189 HydrophobicContact CD2-CG 4.21Å; L139-L189 HydrophobicContact CG-CD2 4.48Å; L142-L189 HydrophobicContact CB-CD1 4.45Å; L142-L189 HydrophobicContact CD1-CD1 3.72Å; L149-L189 HydrophobicContact CD1-CD1 4.14Å; V185-L189 WeakPolarHBondContact O-CB 3.39Å; V185-L189 PolarHBondContact O-N 3.23Å; I186-L189 WeakPolarHBondContact O-CB 3.27Å; I186-L189 PolarHBondContact O-N 3.43Å; L189-D270 WeakPolarHBondContact O-CB 3.35Å; L189-L271 WeakPolarHBondContact O-CB 3.34Å; L189-L271 PolarHBondContact O-N 3.01Å; L189-L466 HydrophobicContact CD2-CD2 4.05Å
190T93.4Very high95.9Very high0 Ų032.7 Ų32.70%017%0.17CC..Hα-helixtrans-92.5-36.1-172.760.20000113.2I186 T272 V299 L302I186-T190 HydrophobicContact CG2-CG2 3.98Å; I186-T190 WeakPolarHBondContact O-CG2 3.41Å; I186-T190 PolarHBondContact O-N 3.12Å; I186-T190 PolarHBondContact O-OG1 3.15Å; T190-T272 WeakPolarHBondContact O-CB 3.48Å; T190-T272 PolarHBondContact O-N 2.85Å; T190-T272 PolarHBondContact O-OG1 3.44Å; T190-V299 HydrophobicContact CG2-CG1 4.45Å; T190-L302 HydrophobicContact CG2-CB 4.21Å; T190-L302 HydrophobicContact CG2-CD1 4.28Å
191C91.9Very high95.8Very high13 Ų1334.7 Ų34.79%0.08818%0.176CC..Hα-helixtrans-120.81.8-169.6-56.80000113.4A187 R193 H258A187-C191 CarbonylContact O-C 3.47Å; A187-C191 VanDerWaalsContact O-CA 3.25Å; A187-C191 WeakPolarHBondContact O-CA 3.42Å; A187-C191 VanDerWaalsContact O-CB 3.27Å; A187-C191 WeakPolarHBondContact O-CB 3.37Å; A187-C191 PolarHBondContact O-N 3.1Å; C191-R193 HydrophobicContact CB-CG 4.11Å; C191-R193 PolarHBondContact O-N 3.27Å; C191-R193 VanDerWaalsContact O-N 3.15Å; C191-H258 WeakPolarHBondContact CA-CE1 3.49Å; C191-H258 WeakPolarHBondContact CA-ND1 3.48Å; C191-H258 PolarHBondContact O-CE1 3.25Å; C191-H258 VanDerWaalsContact O-CE1 3.28Å
192G91.1Very high95.7Very high34 Ų3434.7 Ų34.735%0.35118%0.176SC..SBendtrans64.719178.100000114.2A187 S188A187-G192 PolarHBondContact O-N 3.12Å; S188-G192 VanDerWaalsContact O-CA 3.24Å; S188-G192 WeakPolarHBondContact O-CA 3.48Å; S188-G192 PolarHBondContact O-N 3.44Å
193R92.8Very high95.6Very high101 Ų10137.9 Ų37.938%0.38119%0.193SC..  trans-149.1154.7-176.268.6-173.4-67.31801.6112.3A187 S188 C191 E257A187-R193 CarbonylContact C-O 3.6Å; A187-R193 VanDerWaalsContact CB-O 3.29Å; A187-R193 WeakPolarHBondContact CB-O 3.16Å; S188-R193 PolarHBondContact N-O 2.85Å; S188-R193 VanDerWaalsContact N-O 3.15Å; C191-R193 HydrophobicContact CB-CG 4.11Å; C191-R193 PolarHBondContact O-N 3.27Å; C191-R193 VanDerWaalsContact O-N 3.15Å; R193-E257 IonicContact NH1-OE2 3.24Å; R193-E257 PolarHBondContact NH1-OE2 3.38Å; R193-E257 VanDerWaalsContact NH1-OE2 3.11Å
194R95.8Very high95.6Very high70 Ų7043.7 Ų43.726%0.26422%0.215SC..  trans-102.2167.1164.668.9177.3-59.3-78-2.3111.4E156 N184 E196E156-R194 IonicContact OE1-CZ 2.7Å; E156-R194 IonicContact OE1-NE 2.75Å; E156-R194 IonicContact OE1-NH2 3.5Å; E156-R194 PolarHBondContact OE1-NH2 2.98Å; E156-R194 VanDerWaalsContact OE1-NH2 3.14Å; E156-R194 IonicContact OE2-CZ 2.89Å; E156-R194 IonicContact OE2-NE 3.92Å; E156-R194 PolarHBondContact OE2-NE 2.84Å; E156-R194 IonicContact OE2-NH2 3.96Å; E156-R194 PolarHBondContact OE2-NH2 3.26Å; N184-R194 HydrophobicContact CB-CB 4.23Å; N184-R194 PolarHBondContact ND2-NH2 2.71Å; R194-E196 VanDerWaalsContact NH1-CD 3.26Å; R194-E196 IonicContact NH1-OE1 3.54Å; R194-E196 PolarHBondContact NH1-OE1 2.83Å; R194-E196 IonicContact NH1-OE2 3.07Å; R194-E196 PolarHBondContact NH1-OE2 2.9Å; R194-E196 VanDerWaalsContact NH1-OE2 3.08Å
195F97.5Very high95.5Very high6 Ų643.8 Ų43.83%0.02622%0.215CC..  trans-115.6150.4171.6-60.8-89.2000110.1N184 A187 D199 F202 L254N184-F195 PolarHBondContact ND2-O 2.9Å; N184-F195 PolarHBondContact OD1-N 3.48Å; N184-F195 PolarHBondContact OD1-O 3.21Å; A187-F195 HydrophobicContact CB-CD2 4.04Å; A187-F195 HydrophobicContact CB-CE2 3.77Å; F195-D199 HydrophobicContact CB-CB 4.38Å; F195-F202 HydrophobicContact CB-CB 3.64Å; F195-F202 HydrophobicContact CB-CD1 3.65Å; F195-F202 HydrophobicContact CB-CD2 3.94Å; F195-F202 HydrophobicContact CB-CE1 4.17Å; F195-F202 HydrophobicContact CB-CE2 4.44Å; F195-F202 HydrophobicContact CB-CG 3.49Å; F195-F202 VanDerWaalsContact CB-CG 3.49Å; F195-F202 HydrophobicContact CD1-CB 4.09Å; F195-F202 HydrophobicContact CD2-CB 4.46Å; F195-F202 AromaticContact CD2-CD2 3.61Å; F195-F202 HydrophobicContact CD2-CD2 3.61Å; F195-F202 AromaticContact CD2-CE2 3.91Å; F195-F202 HydrophobicContact CD2-CE2 3.91Å; F195-F202 HydrophobicContact CD2-CG 4.08Å; F195-F202 HydrophobicContact CE2-CD2 4.3Å; F195-F202 HydrophobicContact CG-CB 3.82Å; F195-F202 HydrophobicContact CG-CD1 4.43Å; F195-F202 AromaticContact CG-CD2 3.83Å; F195-F202 HydrophobicContact CG-CD2 3.83Å; F195-F202 HydrophobicContact CG-CE2 4.44Å; F195-F202 AromaticContact CG-CG 3.81Å; F195-F202 HydrophobicContact CG-CG 3.81Å; F195-L254 HydrophobicContact CE1-CD2 3.95Å; F195-L254 HydrophobicContact CZ-CD1 3.79Å; F195-L254 HydrophobicContact CZ-CD2 3.85Å; F195-L254 HydrophobicContact CZ-CG 4.47Å
196E98.1Very high95.5Very high114 Ų11444.2 Ų44.253%0.53322%0.217SC..  trans-67.2148.8167.2-63.5-52.1147.900110.8R194 D198 D199R194-E196 VanDerWaalsContact NH1-CD 3.26Å; R194-E196 IonicContact NH1-OE1 3.54Å; R194-E196 PolarHBondContact NH1-OE1 2.83Å; R194-E196 IonicContact NH1-OE2 3.07Å; R194-E196 PolarHBondContact NH1-OE2 2.9Å; R194-E196 VanDerWaalsContact NH1-OE2 3.08Å; E196-D198 WeakPolarHBondContact CB-OD1 3.48Å; E196-D198 PolarHBondContact O-N 3.49Å; E196-D198 VanDerWaalsContact O-N 3.11Å; E196-D199 WeakPolarHBondContact O-CB 3.37Å; E196-D199 PolarHBondContact O-N 3.49Å
197Y98.1Very high95.5Very high30 Ų3048.2 Ų48.212%0.11824%0.239CC..THydrogen-bonded Turntrans-65.8-14.7-175.7-75.4-11.6000113.9E156 L160 A163 L177 K180 A181E156-Y197 WeakPolarHBondContact OE1-CE1 3.3Å; E156-Y197 PolarHBondContact OE1-OH 2.85Å; E156-Y197 VanDerWaalsContact OE1-OH 3.11Å; L160-Y197 PolarHBondContact N-OH 2.91Å; A163-Y197 HydrophobicContact CB-CD2 3.81Å; A163-Y197 HydrophobicContact CB-CE2 3.68Å; L177-Y197 HydrophobicContact CD2-CD2 4.37Å; K180-Y197 HydrophobicContact CB-CD1 3.56Å; K180-Y197 HydrophobicContact CB-CE1 3.63Å; K180-Y197 HydrophobicContact CB-CG 4.27Å; K180-Y197 HydrophobicContact CD-CD1 4.05Å; K180-Y197 HydrophobicContact CD-CG 3.97Å; K180-Y197 WeakPolarHBondContact CE-O 3.48Å; K180-Y197 HydrophobicContact CG-CD1 4.29Å; K180-Y197 PolarHBondContact NZ-O 2.87Å; A181-Y197 WeakPolarHBondContact CB-OH 3.35Å
198D97.1Very high95.5Very high123 Ų12348.7 Ų48.766%0.65824%0.241SC*.THydrogen-bonded Turntrans-108.33.6175.765.1-19.8000113.5E196 P200E196-D198 WeakPolarHBondContact CB-OD1 3.48Å; E196-D198 PolarHBondContact O-N 3.49Å; E196-D198 VanDerWaalsContact O-N 3.11Å; D198-P200 VanDerWaalsContact O-CD 3.22Å; D198-P200 WeakPolarHBondContact O-CD 3.49Å; D198-P200 VanDerWaalsContact O-N 3.14Å
199D97.4Very high95.5Very high32 Ų3248.2 Ų48.217%0.17124%0.238CC..  trans-59.4116.6176.8-177.6-36.8000109.7F195 E196 R201 F202 L203F195-D199 HydrophobicContact CB-CB 4.38Å; E196-D199 WeakPolarHBondContact O-CB 3.37Å; E196-D199 PolarHBondContact O-N 3.49Å; D199-R201 PolarHBondContact O-N 3.06Å; D199-R201 WeakPolarHBondContact OD1-CA 3.32Å; D199-R201 VanDerWaalsContact OD1-CB 3.3Å; D199-R201 WeakPolarHBondContact OD1-CB 3.42Å; D199-R201 PolarHBondContact OD1-N 3.23Å; D199-R201 IonicContact OD1-NE 2.65Å; D199-F202 HydrophobicContact CB-CB 3.91Å; D199-F202 WeakPolarHBondContact O-CB 3.33Å; D199-F202 PolarHBondContact O-N 3.13Å; D199-F202 PolarHBondContact OD1-N 3.46Å; D199-L203 WeakPolarHBondContact O-CG 3.07Å; D199-L203 PolarHBondContact O-N 3.44Å
200P97.2Very high95.4Very high104 Ų10451.8 Ų51.868%0.67526%0.255SS*.Hα-helixtrans-59.1-32.1-176.6-26.235.3000113.9D198 R204D198-P200 VanDerWaalsContact O-CD 3.22Å; D198-P200 WeakPolarHBondContact O-CD 3.49Å; D198-P200 VanDerWaalsContact O-N 3.14Å; P200-R204 WeakPolarHBondContact O-CB 3.45Å; P200-R204 PolarHBondContact O-N 3.04Å
201R95.5Very high95.3Very high82 Ų8254.1 Ų54.131%0.30927%0.266SS..Hα-helixtrans-70.7-40.3177.8-60.3-175.8-63.3168.6-0.1110.3D199 R204 L205 Q250 E257D199-R201 PolarHBondContact O-N 3.06Å; D199-R201 WeakPolarHBondContact OD1-CA 3.32Å; D199-R201 VanDerWaalsContact OD1-CB 3.3Å; D199-R201 WeakPolarHBondContact OD1-CB 3.42Å; D199-R201 PolarHBondContact OD1-N 3.23Å; D199-R201 IonicContact OD1-NE 2.65Å; R201-R204 PolarHBondContact O-N 2.77Å; R201-L205 WeakPolarHBondContact O-CB 3.44Å; R201-L205 PolarHBondContact O-N 3.07Å; R201-Q250 PolarHBondContact O-NE2 2.86Å; R201-E257 IonicContact CZ-OE1 2.61Å; R201-E257 IonicContact NH1-OE1 2.98Å; R201-E257 PolarHBondContact NH1-OE1 3.24Å; R201-E257 IonicContact NH1-OE2 3.62Å; R201-E257 PolarHBondContact NH1-OE2 2.73Å
202F96.3Very high95.3Very high1 Ų153.6 Ų53.60%0.00426%0.262CS..Hα-helixtrans-65.3-47.8176.5-174.3-136.9000111.2K180 F195 D199 R204 L205 L206 F303K180-F202 HydrophobicContact CB-CE1 3.92Å; K180-F202 HydrophobicContact CB-CZ 4.48Å; K180-F202 HydrophobicContact CG-CE1 4.01Å; K180-F202 WeakPolarHBondContact O-CZ 3.5Å; F195-F202 HydrophobicContact CB-CB 3.64Å; F195-F202 HydrophobicContact CB-CD1 3.65Å; F195-F202 HydrophobicContact CB-CD2 3.94Å; F195-F202 HydrophobicContact CB-CE1 4.17Å; F195-F202 HydrophobicContact CB-CE2 4.44Å; F195-F202 HydrophobicContact CB-CG 3.49Å; F195-F202 VanDerWaalsContact CB-CG 3.49Å; F195-F202 HydrophobicContact CD1-CB 4.09Å; F195-F202 HydrophobicContact CD2-CB 4.46Å; F195-F202 AromaticContact CD2-CD2 3.61Å; F195-F202 HydrophobicContact CD2-CD2 3.61Å; F195-F202 AromaticContact CD2-CE2 3.91Å; F195-F202 HydrophobicContact CD2-CE2 3.91Å; F195-F202 HydrophobicContact CD2-CG 4.08Å; F195-F202 HydrophobicContact CE2-CD2 4.3Å; F195-F202 HydrophobicContact CG-CB 3.82Å; F195-F202 HydrophobicContact CG-CD1 4.43Å; F195-F202 AromaticContact CG-CD2 3.83Å; F195-F202 HydrophobicContact CG-CD2 3.83Å; F195-F202 HydrophobicContact CG-CE2 4.44Å; F195-F202 AromaticContact CG-CG 3.81Å; F195-F202 HydrophobicContact CG-CG 3.81Å; D199-F202 HydrophobicContact CB-CB 3.91Å; D199-F202 WeakPolarHBondContact O-CB 3.33Å; D199-F202 PolarHBondContact O-N 3.13Å; D199-F202 PolarHBondContact OD1-N 3.46Å; F202-R204 VanDerWaalsContact C-N 3.29Å; F202-R204 PolarHBondContact O-N 3.17Å; F202-L205 WeakPolarHBondContact O-CB 3.31Å; F202-L205 PolarHBondContact O-N 3.14Å; F202-L206 HydrophobicContact CD1-CD1 4.26Å; F202-L206 HydrophobicContact CD2-CD2 4.5Å; F202-L206 HydrophobicContact CD2-CG 4.3Å; F202-L206 HydrophobicContact CE1-CD1 4.06Å; F202-L206 HydrophobicContact CE2-CD1 4.33Å; F202-L206 HydrophobicContact CE2-CD2 3.97Å; F202-L206 HydrophobicContact CE2-CG 4.2Å; F202-L206 HydrophobicContact CZ-CD1 4.11Å; F202-L206 HydrophobicContact CZ-CD2 4.26Å; F202-L206 HydrophobicContact CZ-CG 4.46Å; F202-L206 WeakPolarHBondContact O-CG 3.43Å; F202-L206 PolarHBondContact O-N 3.42Å; F202-F303 HydrophobicContact CE2-CZ 4.25Å
203L96.9Very high95.1Very high68 Ų6853.4 Ų53.436%0.35625%0.253SS..Hα-helixtrans-56.3-43.7175.7-64.7178.7000112.1D199 L206 D207D199-L203 WeakPolarHBondContact O-CG 3.07Å; D199-L203 PolarHBondContact O-N 3.44Å; L203-L206 PolarHBondContact O-N 3.11Å; L203-D207 WeakPolarHBondContact O-CB 3.5Å; L203-D207 PolarHBondContact O-N 3.36Å
204R97.1Very high94.8Very high122 Ų12254.4 Ų54.446%0.4626%0.26SS..Hα-helixtrans-64.4-39.8175.5-171.7-177.1-177.8-92.35.3112.4P200 R201 F202 L206 D207 L208 Q250P200-R204 WeakPolarHBondContact O-CB 3.45Å; P200-R204 PolarHBondContact O-N 3.04Å; R201-R204 PolarHBondContact O-N 2.77Å; F202-R204 VanDerWaalsContact C-N 3.29Å; F202-R204 PolarHBondContact O-N 3.17Å; R204-L206 VanDerWaalsContact C-N 3.35Å; R204-D207 PolarHBondContact O-N 3.48Å; R204-L208 HydrophobicContact CG-CD1 4.11Å; R204-L208 HydrophobicContact CG-CG 4.42Å; R204-L208 WeakPolarHBondContact O-CB 3.38Å; R204-L208 VanDerWaalsContact O-CG 3.24Å; R204-L208 WeakPolarHBondContact O-CG 3.13Å; R204-L208 PolarHBondContact O-N 3.04Å; R204-Q250 VanDerWaalsContact CG-OE1 3.24Å; R204-Q250 VanDerWaalsContact NH1-CD 3.33Å
205L95.7Very high94.3Very high1 Ų152.2 Ų52.21%0.00525%0.253CS..Hα-helixtrans-62.5-43177.5-173.870.6000111.3R201 F202 A209 F247 Q250 L251 L254 F303R201-L205 WeakPolarHBondContact O-CB 3.44Å; R201-L205 PolarHBondContact O-N 3.07Å; F202-L205 WeakPolarHBondContact O-CB 3.31Å; F202-L205 PolarHBondContact O-N 3.14Å; L205-A209 WeakPolarHBondContact O-CB 3.46Å; L205-A209 PolarHBondContact O-N 3.46Å; L205-F247 HydrophobicContact CD1-CD2 3.59Å; L205-F247 HydrophobicContact CD1-CE2 3.48Å; L205-F247 VanDerWaalsContact CD1-CE2 3.48Å; L205-F247 HydrophobicContact CD1-CZ 4.48Å; L205-F247 HydrophobicContact CG-CD2 4.29Å; L205-F247 HydrophobicContact CG-CE2 3.91Å; L205-Q250 HydrophobicContact CD1-CB 4.22Å; L205-Q250 HydrophobicContact CD1-CG 4.25Å; L205-L251 HydrophobicContact CD1-CD2 3.94Å; L205-L251 HydrophobicContact CD1-CG 4.01Å; L205-L251 HydrophobicContact CD2-CD2 4.26Å; L205-L254 HydrophobicContact CD2-CD1 3.96Å; L205-F303 HydrophobicContact CD2-CE1 3.93Å; L205-F303 HydrophobicContact CD2-CE2 3.9Å; L205-F303 HydrophobicContact CD2-CZ 3.5Å; L205-F303 HydrophobicContact CG-CE1 4.2Å; L205-F303 HydrophobicContact CG-CZ 4.24Å
206L95.7Very high93.6Very high11 Ų1153.3 Ų53.36%0.05826%0.258CS..Hα-helixtrans-64.7-46.5176.8-62177.7000111.9K180 S183 F202 L203 R204 A209 Q210 F303 M307K180-L206 HydrophobicContact CB-CD1 4.45Å; K180-L206 HydrophobicContact CG-CD1 3.6Å; S183-L206 WeakPolarHBondContact OG-CD2 3.26Å; F202-L206 HydrophobicContact CD1-CD1 4.26Å; F202-L206 HydrophobicContact CD2-CD2 4.5Å; F202-L206 HydrophobicContact CD2-CG 4.3Å; F202-L206 HydrophobicContact CE1-CD1 4.06Å; F202-L206 HydrophobicContact CE2-CD1 4.33Å; F202-L206 HydrophobicContact CE2-CD2 3.97Å; F202-L206 HydrophobicContact CE2-CG 4.2Å; F202-L206 HydrophobicContact CZ-CD1 4.11Å; F202-L206 HydrophobicContact CZ-CD2 4.26Å; F202-L206 HydrophobicContact CZ-CG 4.46Å; F202-L206 WeakPolarHBondContact O-CG 3.43Å; F202-L206 PolarHBondContact O-N 3.42Å; L203-L206 PolarHBondContact O-N 3.11Å; R204-L206 VanDerWaalsContact C-N 3.35Å; L206-A209 PolarHBondContact O-N 3.42Å; L206-Q210 WeakPolarHBondContact O-CG 3.46Å; L206-Q210 PolarHBondContact O-N 3.25Å; L206-F303 HydrophobicContact CD2-CE1 4.32Å; L206-F303 HydrophobicContact CD2-CZ 4.46Å; L206-M307 HydrophobicContact CD2-SD 3.33Å; L206-M307 WeakPolarHBondContact CD2-SD 3.34Å
207D95.7Very high92.5Very high86 Ų8651.9 Ų51.946%0.4626%0.261SS..Hα-helixtrans-59-48.7177.9-177.872.5000111.4L203 R204 A209 Q210 E211L203-D207 WeakPolarHBondContact O-CB 3.5Å; L203-D207 PolarHBondContact O-N 3.36Å; R204-D207 PolarHBondContact O-N 3.48Å; D207-A209 VanDerWaalsContact C-N 3.31Å; D207-A209 PolarHBondContact O-N 2.77Å; D207-Q210 PolarHBondContact O-N 2.56Å; D207-E211 WeakPolarHBondContact O-CG 3.3Å; D207-E211 PolarHBondContact O-N 2.84Å
208L96Very high91.2Very high11 Ų1151.8 Ų51.86%0.05827%0.269CS..Hα-helixtrans-62.5-36.1177-70.5175.4000113R204 G212 F243 A246 F247R204-L208 HydrophobicContact CG-CD1 4.11Å; R204-L208 HydrophobicContact CG-CG 4.42Å; R204-L208 WeakPolarHBondContact O-CB 3.38Å; R204-L208 VanDerWaalsContact O-CG 3.24Å; R204-L208 WeakPolarHBondContact O-CG 3.13Å; R204-L208 PolarHBondContact O-N 3.04Å; L208-G212 PolarHBondContact O-N 3.2Å; L208-F243 HydrophobicContact CD2-CD1 4Å; L208-A246 HydrophobicContact CD1-CB 4.06Å; L208-A246 HydrophobicContact CD2-CB 3.83Å; L208-F247 HydrophobicContact CB-CB 4.01Å; L208-F247 HydrophobicContact CB-CD2 4.42Å
209A93.1Very high90.2Very high2 Ų253.6 Ų53.62%0.01727%0.272CS..Hα-helixtrans-67.6-41.317600000111.9L205 L206 D207 G212 L213 F247 L304 M307L205-A209 WeakPolarHBondContact O-CB 3.46Å; L205-A209 PolarHBondContact O-N 3.46Å; L206-A209 PolarHBondContact O-N 3.42Å; D207-A209 VanDerWaalsContact C-N 3.31Å; D207-A209 PolarHBondContact O-N 2.77Å; A209-G212 PolarHBondContact O-N 2.84Å; A209-L213 PolarHBondContact O-N 2.66Å; A209-F247 HydrophobicContact CB-CD2 3.88Å; A209-F247 HydrophobicContact CB-CE2 3.72Å; A209-F247 HydrophobicContact CB-CZ 4.43Å; A209-L304 HydrophobicContact CB-CD1 3.96Å; A209-L304 WeakPolarHBondContact O-CD1 3.37Å; A209-M307 HydrophobicContact CB-CE 3.46Å; A209-M307 VanDerWaalsContact CB-CE 3.46Å; A209-M307 HydrophobicContact CB-SD 4.42Å
210Q91.5Very high89.2Confident77 Ų7755.8 Ų55.836%0.3628%0.283SS..Hα-helixtrans-66.9-43.9175.5-70.5-174.53.500112.2D179 L206 D207 L213 K214 M307D179-Q210 PolarHBondContact OD2-NE2 3.04Å; L206-Q210 WeakPolarHBondContact O-CG 3.46Å; L206-Q210 PolarHBondContact O-N 3.25Å; D207-Q210 PolarHBondContact O-N 2.56Å; Q210-L213 WeakPolarHBondContact O-CB 3.47Å; Q210-L213 PolarHBondContact O-N 3.03Å; Q210-K214 PolarHBondContact O-N 3.21Å; Q210-M307 HydrophobicContact CG-CE 4.4Å
211E91.7Very high88.3Confident48 Ų4852.5 Ų52.522%0.22426%0.257CS..Hα-helixtrans-65.1-39.7174.9-70.7-58.9138.600111.7D207 L213 K214 E215 F243D207-E211 WeakPolarHBondContact O-CG 3.3Å; D207-E211 PolarHBondContact O-N 2.84Å; E211-L213 VanDerWaalsContact C-N 3.27Å; E211-L213 PolarHBondContact O-N 3.32Å; E211-K214 WeakPolarHBondContact O-CB 3.24Å; E211-K214 PolarHBondContact O-N 3.05Å; E211-K214 VanDerWaalsContact O-N 3.08Å; E211-K214 IonicContact OE1-NZ 3.36Å; E211-K214 PolarHBondContact OE1-NZ 3.38Å; E211-K214 IonicContact OE2-NZ 3.24Å; E211-E215 PolarHBondContact O-N 3.31Å; E211-F243 HydrophobicContact CB-CB 3.92Å; E211-F243 HydrophobicContact CB-CD1 3.72Å; E211-F243 HydrophobicContact CB-CD2 3.74Å; E211-F243 HydrophobicContact CB-CE1 4.05Å; E211-F243 HydrophobicContact CB-CE2 4.05Å; E211-F243 HydrophobicContact CB-CG 3.54Å; E211-F243 HydrophobicContact CB-CZ 4.21Å; E211-F243 HydrophobicContact CG-CD1 4.32Å; E211-F243 HydrophobicContact CG-CE1 4.21Å; E211-F243 HydrophobicContact CG-CZ 4.3Å
212G90.3Very high87.4Confident2 Ų253.6 Ų53.62%0.02127%0.265CS..Hα-helixtrans-62.9-30.1174.800000113.6L208 A209 E215 Q244L208-G212 PolarHBondContact O-N 3.2Å; A209-G212 PolarHBondContact O-N 2.84Å; G212-E215 WeakPolarHBondContact O-CB 3.38Å; G212-E215 PolarHBondContact O-N 3.46Å; G212-Q244 PolarHBondContact O-NE2 3.25Å; G212-Q244 VanDerWaalsContact O-NE2 3.08Å
213L87.9Confident86.5Confident30 Ų3055.9 Ų55.916%0.15728%0.279CS..Hα-helixtrans-68.9-35.4172.6-174.567.5000111.8A209 Q210 E211 E215 E216 V308 F501 L502A209-L213 PolarHBondContact O-N 2.66Å; Q210-L213 WeakPolarHBondContact O-CB 3.47Å; Q210-L213 PolarHBondContact O-N 3.03Å; E211-L213 VanDerWaalsContact C-N 3.27Å; E211-L213 PolarHBondContact O-N 3.32Å; L213-E215 VanDerWaalsContact C-N 3.28Å; L213-E215 PolarHBondContact O-N 3.01Å; L213-E216 WeakPolarHBondContact O-CB 3.31Å; L213-E216 PolarHBondContact O-N 3.49Å; L213-V308 HydrophobicContact CD2-CB 4.4Å; L213-V308 HydrophobicContact CD2-CG1 4.23Å; L213-V308 HydrophobicContact CD2-CG2 4.35Å; L213-F501 HydrophobicContact CD1-CD1 3.98Å; L213-F501 HydrophobicContact CD1-CE1 4.48Å; L213-L502 HydrophobicContact CD2-CD1 3.78Å; L213-L502 HydrophobicContact CD2-CG 4.37Å
214K85.2Confident85.6Confident123 Ų12352.7 Ų52.754%0.53526%0.263SS..Hα-helixtrans-64.8-34.9176.3-62.8173.4-172.2169.10111.5Q210 E211 E216 S217Q210-K214 PolarHBondContact O-N 3.21Å; E211-K214 WeakPolarHBondContact O-CB 3.24Å; E211-K214 PolarHBondContact O-N 3.05Å; E211-K214 VanDerWaalsContact O-N 3.08Å; E211-K214 IonicContact OE1-NZ 3.36Å; E211-K214 PolarHBondContact OE1-NZ 3.38Å; E211-K214 IonicContact OE2-NZ 3.24Å; K214-E216 PolarHBondContact O-N 3.41Å; K214-E216 VanDerWaalsContact O-N 3.15Å; K214-S217 PolarHBondContact O-N 3.33Å; K214-S217 VanDerWaalsContact O-N 3.09Å; K214-S217 PolarHBondContact O-OG 3.36Å
215E87.2Confident84.7Confident23 Ų2348.4 Ų48.411%0.10725%0.249CC..G310 helixtrans-58.8-23.1175.7-63.4-177.2143.700113E211 G212 L213 S217 L241 R242 F243 Q244E211-E215 PolarHBondContact O-N 3.31Å; G212-E215 WeakPolarHBondContact O-CB 3.38Å; G212-E215 PolarHBondContact O-N 3.46Å; L213-E215 VanDerWaalsContact C-N 3.28Å; L213-E215 PolarHBondContact O-N 3.01Å; E215-S217 VanDerWaalsContact C-N 3.29Å; E215-S217 PolarHBondContact O-N 2.97Å; E215-L241 HydrophobicContact CB-CD2 4.38Å; E215-L241 WeakPolarHBondContact OE2-CA 3.48Å; E215-R242 WeakPolarHBondContact OE1-CG 3.24Å; E215-R242 PolarHBondContact OE1-N 3.49Å; E215-F243 HydrophobicContact CG-CB 4.49Å; E215-F243 HydrophobicContact CG-CD2 4.01Å; E215-F243 VanDerWaalsContact OE1-CD2 3.24Å; E215-F243 WeakPolarHBondContact OE1-CD2 3.35Å; E215-F243 PolarHBondContact OE1-N 3.14Å; E215-F243 PolarHBondContact OE2-N 2.65Å; E215-Q244 PolarHBondContact OE2-N 2.91Å
216E81.8Confident83.6Confident30 Ų3049.9 Ų49.914%0.1426%0.261CS..G310 helixtrans-68.8-24176.7-67-70.8133.600113.1Y107 L213 K214 R221 Q244Y107-E216 VanDerWaalsContact OH-CD 3.24Å; Y107-E216 PolarHBondContact OH-OE1 3.08Å; Y107-E216 PolarHBondContact OH-OE2 3.4Å; L213-E216 WeakPolarHBondContact O-CB 3.31Å; L213-E216 PolarHBondContact O-N 3.49Å; K214-E216 PolarHBondContact O-N 3.41Å; K214-E216 VanDerWaalsContact O-N 3.15Å; E216-R221 WeakPolarHBondContact O-CD 3.4Å; E216-R221 PolarHBondContact O-NH1 3.4Å; E216-R221 IonicContact OE2-CZ 2.97Å; E216-R221 IonicContact OE2-NH1 3.04Å; E216-R221 PolarHBondContact OE2-NH1 3.4Å; E216-R221 IonicContact OE2-NH2 2.74Å; E216-R221 PolarHBondContact OE2-NH2 3.29Å; E216-Q244 PolarHBondContact OE1-NE2 3.3Å
217S74.4Confident82.6Confident83 Ų8351.8 Ų51.858%0.5827%0.273SS*.G310 helixtrans-99.86.1-174.461.40000115K214 E215K214-S217 PolarHBondContact O-N 3.33Å; K214-S217 VanDerWaalsContact O-N 3.09Å; K214-S217 PolarHBondContact O-OG 3.36Å; E215-S217 VanDerWaalsContact C-N 3.29Å; E215-S217 PolarHBondContact O-N 2.97Å
218G72.2Confident81.4Confident29 Ų2951.5 Ų51.530%0.29928%0.276SS..  trans-80135.1-170.800000115.2L220 R221G218-L220 PolarHBondContact O-N 3.11Å; G218-R221 VanDerWaalsContact O-CB 3.23Å; G218-R221 WeakPolarHBondContact O-CB 3.24Å; G218-R221 PolarHBondContact O-N 3.39Å
219F75Confident80.5Confident161 Ų16156 Ų5671%0.70630%0.304SS*.Hα-helixtrans-54.5-36.6173.2-179.8-106000113.2R221 E222 V223F219-R221 VanDerWaalsContact C-N 3.26Å; F219-R221 PolarHBondContact O-N 2.85Å; F219-E222 PolarHBondContact O-N 3.42Å; F219-V223 HydrophobicContact CD1-CG2 4.09Å; F219-V223 HydrophobicContact CE1-CG2 3.64Å; F219-V223 HydrophobicContact CE2-CG2 4.35Å; F219-V223 HydrophobicContact CZ-CG2 3.79Å; F219-V223 WeakPolarHBondContact O-CG2 3.27Å; F219-V223 PolarHBondContact O-N 2.89Å; F219-V223 VanDerWaalsContact O-N 3.12Å
220L76.6Confident79.9Confident77 Ų7758.1 Ų58.140%0.40332%0.315SS..Hα-helixtrans-59-37.2176.6-17863000112G218 V223 L224 V240G218-L220 PolarHBondContact O-N 3.11Å; L220-V223 PolarHBondContact O-N 2.86Å; L220-L224 HydrophobicContact CD1-CD1 4.39Å; L220-L224 HydrophobicContact CD1-CG 4.28Å; L220-L224 HydrophobicContact CG-CD1 4.14Å; L220-L224 HydrophobicContact CG-CG 4.4Å; L220-L224 WeakPolarHBondContact O-CB 3.48Å; L220-L224 VanDerWaalsContact O-CG 3.26Å; L220-L224 WeakPolarHBondContact O-CG 3.14Å; L220-L224 PolarHBondContact O-N 3.11Å; L220-V240 HydrophobicContact CD2-CB 4.45Å; L220-V240 HydrophobicContact CG-CG2 4.48Å
221R79.6Confident79.1Confident35 Ų3555.4 Ų55.413%0.13230%0.304CS..Hα-helixtrans-61.8-47.1177178.5-164.1175.7-174.78.8110.8I106 Y107 E216 G218 F219 V223 L224 N225 V240I106-R221 HydrophobicContact CD1-CB 4.44Å; I106-R221 HydrophobicContact CD1-CG 4.07Å; Y107-R221 PolarHBondContact OH-NH2 2.92Å; E216-R221 WeakPolarHBondContact O-CD 3.4Å; E216-R221 PolarHBondContact O-NH1 3.4Å; E216-R221 IonicContact OE2-CZ 2.97Å; E216-R221 IonicContact OE2-NH1 3.04Å; E216-R221 PolarHBondContact OE2-NH1 3.4Å; E216-R221 IonicContact OE2-NH2 2.74Å; E216-R221 PolarHBondContact OE2-NH2 3.29Å; G218-R221 VanDerWaalsContact O-CB 3.23Å; G218-R221 WeakPolarHBondContact O-CB 3.24Å; G218-R221 PolarHBondContact O-N 3.39Å; F219-R221 VanDerWaalsContact C-N 3.26Å; F219-R221 PolarHBondContact O-N 2.85Å; R221-V223 VanDerWaalsContact C-N 3.33Å; R221-V223 PolarHBondContact O-N 2.89Å; R221-L224 PolarHBondContact O-N 3.22Å; R221-N225 WeakPolarHBondContact O-CB 3.47Å; R221-N225 PolarHBondContact O-N 3.26Å; R221-N225 PolarHBondContact O-ND2 2.98Å; R221-V240 HydrophobicContact CB-CG2 4.35Å
222E75.4Confident78.4Confident105 Ų10559.9 Ų59.949%0.49132%0.324SS..Hα-helixtrans-60.6-44.1179.2-68.2-56130.900111.3F219 L224 N225 A226F219-E222 PolarHBondContact O-N 3.42Å; E222-L224 PolarHBondContact O-N 3.47Å; E222-N225 PolarHBondContact O-N 3.05Å; E222-A226 WeakPolarHBondContact O-CB 3.48Å; E222-A226 PolarHBondContact O-N 2.8Å
223V76.8Confident78.1Confident49 Ų4963.4 Ų63.430%0.29734%0.342SS..Hα-helixtrans-60.8-45176174.50000111.7F219 L220 R221 A226 V227 L230F219-V223 HydrophobicContact CD1-CG2 4.09Å; F219-V223 HydrophobicContact CE1-CG2 3.64Å; F219-V223 HydrophobicContact CE2-CG2 4.35Å; F219-V223 HydrophobicContact CZ-CG2 3.79Å; F219-V223 WeakPolarHBondContact O-CG2 3.27Å; F219-V223 PolarHBondContact O-N 2.89Å; F219-V223 VanDerWaalsContact O-N 3.12Å; L220-V223 PolarHBondContact O-N 2.86Å; R221-V223 VanDerWaalsContact C-N 3.33Å; R221-V223 PolarHBondContact O-N 2.89Å; V223-A226 PolarHBondContact O-N 2.66Å; V223-V227 PolarHBondContact O-N 3.1Å; V223-L230 HydrophobicContact CG1-CD1 3.75Å
224L78.8Confident77.7Confident1 Ų167.1 Ų67.11%0.00537%0.368CS..Hα-helixtrans-69.3-31.1-179.7-69-177.3000113.2I106 L220 R221 E222 L230 P231 L236 V240I106-L224 HydrophobicContact CD1-CB 4.04Å; I106-L224 HydrophobicContact CD1-CD1 4.08Å; L220-L224 HydrophobicContact CD1-CD1 4.39Å; L220-L224 HydrophobicContact CD1-CG 4.28Å; L220-L224 HydrophobicContact CG-CD1 4.14Å; L220-L224 HydrophobicContact CG-CG 4.4Å; L220-L224 WeakPolarHBondContact O-CB 3.48Å; L220-L224 VanDerWaalsContact O-CG 3.26Å; L220-L224 WeakPolarHBondContact O-CG 3.14Å; L220-L224 PolarHBondContact O-N 3.11Å; R221-L224 PolarHBondContact O-N 3.22Å; E222-L224 PolarHBondContact O-N 3.47Å; L224-L230 HydrophobicContact CD2-CB 3.3Å; L224-L230 HydrophobicContact CD2-CD1 4.06Å; L224-L230 HydrophobicContact CD2-CG 4.32Å; L224-P231 HydrophobicContact CB-CG 4.31Å; L224-P231 WeakPolarHBondContact O-CD 3.42Å; L224-P231 WeakPolarHBondContact O-CG 3.22Å; L224-L236 HydrophobicContact CD1-CB 4.39Å; L224-L236 HydrophobicContact CD2-CB 4.18Å; L224-L236 HydrophobicContact CD2-CD1 4.03Å; L224-V240 HydrophobicContact CD1-CB 3.76Å; L224-V240 HydrophobicContact CD1-CG1 3.77Å; L224-V240 HydrophobicContact CD1-CG2 3.92Å
225N77.5Confident77.7Confident33 Ų3364.4 Ų64.418%0.17637%0.368CS..Hα-helixtrans-77-35.1173.7-78.7-34.5000112.3I106 R221 E222I106-N225 WeakPolarHBondContact CB-OD1 3.33Å; I106-N225 WeakPolarHBondContact CG2-OD1 3.41Å; R221-N225 WeakPolarHBondContact O-CB 3.47Å; R221-N225 PolarHBondContact O-N 3.26Å; R221-N225 PolarHBondContact O-ND2 2.98Å; E222-N225 PolarHBondContact O-N 3.05Å
226A73Confident77.4Confident32 Ų3265.9 Ų65.926%0.26438%0.377SS..Hα-helixtrans-71.6-29.917900000112.9W75 E222 V223 P228W75-A226 HydrophobicContact CE3-CB 3.94Å; W75-A226 HydrophobicContact CZ3-CB 4.02Å; E222-A226 WeakPolarHBondContact O-CB 3.48Å; E222-A226 PolarHBondContact O-N 2.8Å; V223-A226 PolarHBondContact O-N 2.66Å; A226-P228 WeakPolarHBondContact O-CD 3.31Å
227V75.6Confident77.1Confident51 Ų5165.1 Ų65.131%0.30938%0.376SS..SBendtrans-119.191.2-180-171.20000109.9W75 V223 V229 L230 P231W75-V227 HydrophobicContact CZ3-CG2 4.12Å; V223-V227 PolarHBondContact O-N 3.1Å; V227-V229 PolarHBondContact O-N 3.44Å; V227-L230 HydrophobicContact CB-CD1 3.75Å; V227-L230 HydrophobicContact CB-CG 3.87Å; V227-L230 HydrophobicContact CG1-CD1 4.1Å; V227-L230 HydrophobicContact CG1-CG 3.77Å; V227-L230 HydrophobicContact CG2-CD1 4.27Å; V227-L230 PolarHBondContact O-N 3.1Å; V227-P231 WeakPolarHBondContact O-CD 3.39Å
228P69.1Low77.2Confident79 Ų7963.6 Ų63.651%0.51337%0.373SS..THydrogen-bonded Turntrans-59.1-16.4-171.2-26.434.4000115.9A226 P231 H232A226-P228 WeakPolarHBondContact O-CD 3.31Å; P228-P231 WeakPolarHBondContact O-CD 3.33Å; P228-H232 PolarHBondContact O-CE1 3.14Å; P228-H232 PolarHBondContact O-ND1 3.01Å
229V77.6Confident77.7Confident107 Ų10769.2 Ų69.265%0.64839%0.389SS*.THydrogen-bonded Turntrans-77.9-31.6178.4-175.10000111.5V227 H232V227-V229 PolarHBondContact O-N 3.44Å; V229-H232 WeakPolarHBondContact O-CB 3.42Å; V229-H232 PolarHBondContact O-N 3.02Å; V229-H232 VanDerWaalsContact O-N 3.11Å; V229-H232 PolarHBondContact O-ND1 3.42Å
230L80.1Confident78.1Confident46 Ų4662 Ų6224%0.24136%0.358CS..G310 helixtrans-64.6-35.6-174.5-62.2179000114.9V223 L224 V227 H232 I233 L236V223-L230 HydrophobicContact CG1-CD1 3.75Å; L224-L230 HydrophobicContact CD2-CB 3.3Å; L224-L230 HydrophobicContact CD2-CD1 4.06Å; L224-L230 HydrophobicContact CD2-CG 4.32Å; V227-L230 HydrophobicContact CB-CD1 3.75Å; V227-L230 HydrophobicContact CB-CG 3.87Å; V227-L230 HydrophobicContact CG1-CD1 4.1Å; V227-L230 HydrophobicContact CG1-CG 3.77Å; V227-L230 HydrophobicContact CG2-CD1 4.27Å; V227-L230 PolarHBondContact O-N 3.1Å; L230-H232 PolarHBondContact O-N 3.35Å; L230-H232 VanDerWaalsContact O-N 3.09Å; L230-I233 HydrophobicContact CD2-CD1 3.97Å; L230-I233 WeakPolarHBondContact O-CB 3.16Å; L230-I233 PolarHBondContact O-N 2.74Å; L230-L236 HydrophobicContact CB-CD1 4.39Å
231P74.9Confident78.7Confident20 Ų2058.5 Ų58.513%0.1334%0.34CS..G310 helixtrans-58.4-16.6172.6-27.335.1000115L224 V227 P228 I233 A237L224-P231 HydrophobicContact CB-CG 4.31Å; L224-P231 WeakPolarHBondContact O-CD 3.42Å; L224-P231 WeakPolarHBondContact O-CG 3.22Å; V227-P231 WeakPolarHBondContact O-CD 3.39Å; P228-P231 WeakPolarHBondContact O-CD 3.33Å; P231-I233 PolarHBondContact O-N 2.81Å; P231-A237 WeakPolarHBondContact O-CB 3.5Å
232H77.6Confident79.3Confident142 Ų14263.8 Ų63.866%0.65736%0.36SS*.G310 helixtrans-76.5-9.1175.3-60.480000112.7P228 V229 L230 P234P228-H232 PolarHBondContact O-CE1 3.14Å; P228-H232 PolarHBondContact O-ND1 3.01Å; V229-H232 WeakPolarHBondContact O-CB 3.42Å; V229-H232 PolarHBondContact O-N 3.02Å; V229-H232 VanDerWaalsContact O-N 3.11Å; V229-H232 PolarHBondContact O-ND1 3.42Å; L230-H232 PolarHBondContact O-N 3.35Å; L230-H232 VanDerWaalsContact O-N 3.09Å; H232-P234 VanDerWaalsContact O-CD 3.28Å; H232-P234 WeakPolarHBondContact O-CD 3.22Å
233I84.7Confident80.1Confident75 Ų7561 Ų6139%0.38535%0.346SS..SBendtrans-85.6109.7177.6-57.4173.7000108.5L230 P231 A235 L236 A237L230-I233 HydrophobicContact CD2-CD1 3.97Å; L230-I233 WeakPolarHBondContact O-CB 3.16Å; L230-I233 PolarHBondContact O-N 2.74Å; P231-I233 PolarHBondContact O-N 2.81Å; I233-A235 PolarHBondContact O-N 3.01Å; I233-A235 VanDerWaalsContact O-N 3.11Å; I233-L236 HydrophobicContact CB-CB 4.4Å; I233-L236 HydrophobicContact CB-CD1 4.14Å; I233-L236 HydrophobicContact CB-CG 4.28Å; I233-L236 HydrophobicContact CD1-CD1 3.95Å; I233-L236 HydrophobicContact CG2-CD1 4.29Å; I233-L236 HydrophobicContact CG2-CG 4.12Å; I233-L236 PolarHBondContact O-N 2.94Å; I233-A237 PolarHBondContact O-N 3.37Å
234P79.5Confident80.9Confident108 Ų10859.7 Ų59.770%0.70134%0.337SS*.Hα-helixtrans-58.4-33.9-170.8-26.936.2000114.1H232 L236 G238H232-P234 VanDerWaalsContact O-CD 3.28Å; H232-P234 WeakPolarHBondContact O-CD 3.22Å; P234-L236 VanDerWaalsContact C-N 3.32Å; P234-L236 PolarHBondContact O-N 3.24Å; P234-G238 PolarHBondContact O-N 3.49Å
235A83.6Confident81.7Confident66 Ų6665.4 Ų65.455%0.54536%0.361SS..Hα-helixtrans-66.3-31.2178.700000113.4I233 K239I233-A235 PolarHBondContact O-N 3.01Å; I233-A235 VanDerWaalsContact O-N 3.11Å; A235-K239 WeakPolarHBondContact O-CD 3.39Å; A235-K239 WeakPolarHBondContact O-CG 3.42Å
236L82Confident82.5Confident54 Ų5465 Ų6528%0.28336%0.363SS..Hα-helixtrans-83.7-47.1175.9-63.5178.8000110.3L224 L230 I233 P234 G238 K239 V240L224-L236 HydrophobicContact CD1-CB 4.39Å; L224-L236 HydrophobicContact CD2-CB 4.18Å; L224-L236 HydrophobicContact CD2-CD1 4.03Å; L230-L236 HydrophobicContact CB-CD1 4.39Å; I233-L236 HydrophobicContact CB-CB 4.4Å; I233-L236 HydrophobicContact CB-CD1 4.14Å; I233-L236 HydrophobicContact CB-CG 4.28Å; I233-L236 HydrophobicContact CD1-CD1 3.95Å; I233-L236 HydrophobicContact CG2-CD1 4.29Å; I233-L236 HydrophobicContact CG2-CG 4.12Å; I233-L236 PolarHBondContact O-N 2.94Å; P234-L236 VanDerWaalsContact C-N 3.32Å; P234-L236 PolarHBondContact O-N 3.24Å; L236-G238 VanDerWaalsContact C-N 3.33Å; L236-G238 PolarHBondContact O-N 2.86Å; L236-K239 PolarHBondContact O-N 3.13Å; L236-K239 VanDerWaalsContact O-N 3.17Å; L236-V240 PolarHBondContact O-N 3.22Å
237A75.6Confident83.6Confident15 Ų1564.1 Ų64.112%0.12435%0.353CS..Hα-helixtrans-59.2-41.9179.500000112.8V109 P231 I233 K239V109-A237 HydrophobicContact CG1-CB 4.08Å; P231-A237 WeakPolarHBondContact O-CB 3.5Å; I233-A237 PolarHBondContact O-N 3.37Å; A237-K239 VanDerWaalsContact C-N 3.28Å; A237-K239 PolarHBondContact O-N 3.41Å
238G75.3Confident84.6Confident50 Ų5062.2 Ų62.252%0.51534%0.341SS..Hα-helixtrans-71.7-19.2179.800000114.3P234 L236P234-G238 PolarHBondContact O-N 3.49Å; L236-G238 VanDerWaalsContact C-N 3.33Å; L236-G238 PolarHBondContact O-N 2.86Å
239K82.7Confident85.9Confident148 Ų14861.7 Ų61.764%0.64334%0.337SS*.Hα-helixtrans-95.2-29.9-178.3-75.1-176.8-178.7-1780113.7A235 L236 A237A235-K239 WeakPolarHBondContact O-CD 3.39Å; A235-K239 WeakPolarHBondContact O-CG 3.42Å; L236-K239 PolarHBondContact O-N 3.13Å; L236-K239 VanDerWaalsContact O-N 3.17Å; A237-K239 VanDerWaalsContact C-N 3.28Å; A237-K239 PolarHBondContact O-N 3.41Å
240V84.5Confident86.7Confident10 Ų1056.9 Ų56.96%0.06131%0.307CS..Hα-helixtrans-74.9-32.4-166.463.70000114.5I106 L220 R221 L224 L236I106-V240 HydrophobicContact CD1-CB 4Å; I106-V240 HydrophobicContact CD1-CG1 3.5Å; I106-V240 HydrophobicContact CD1-CG2 3.36Å; I106-V240 HydrophobicContact CG1-CG1 3.67Å; I106-V240 HydrophobicContact CG1-CG2 4.44Å; L220-V240 HydrophobicContact CD2-CB 4.45Å; L220-V240 HydrophobicContact CG-CG2 4.48Å; R221-V240 HydrophobicContact CB-CG2 4.35Å; L224-V240 HydrophobicContact CD1-CB 3.76Å; L224-V240 HydrophobicContact CD1-CG1 3.77Å; L224-V240 HydrophobicContact CD1-CG2 3.92Å; L236-V240 PolarHBondContact O-N 3.22Å
241L88.1Confident87.4Confident3 Ų354.8 Ų54.82%0.01630%0.296CS..THydrogen-bonded Turntrans-126.740.4179.4-63.7177000110.9I106 Y107 V109 L110 E215 Q244 K245I106-L241 HydrophobicContact CG1-CD1 4.02Å; I106-L241 HydrophobicContact CG1-CG 4.39Å; I106-L241 HydrophobicContact CG2-CD1 4.21Å; Y107-L241 HydrophobicContact CD1-CD1 3.72Å; Y107-L241 HydrophobicContact CE1-CD1 3.99Å; Y107-L241 HydrophobicContact CE1-CD2 4.47Å; V109-L241 HydrophobicContact CG2-CB 4.22Å; V109-L241 HydrophobicContact CG2-CD1 3.91Å; L110-L241 HydrophobicContact CD1-CD1 4.13Å; L110-L241 HydrophobicContact CD2-CB 4.23Å; L110-L241 HydrophobicContact CG-CD1 4.14Å; E215-L241 HydrophobicContact CB-CD2 4.38Å; E215-L241 WeakPolarHBondContact OE2-CA 3.48Å; L241-Q244 HydrophobicContact CB-CB 4.35Å; L241-K245 VanDerWaalsContact O-CB 3.28Å; L241-K245 WeakPolarHBondContact O-CB 3.33Å; L241-K245 PolarHBondContact O-N 3.03Å
242R92Very high88.4Confident145 Ų14556.1 Ų56.155%0.54730%0.302SS..Hα-helixtrans-67.7-38.6-173.161.1176.1-177179.1-0.3111.5E215 A246E215-R242 WeakPolarHBondContact OE1-CG 3.24Å; E215-R242 PolarHBondContact OE1-N 3.49Å; R242-A246 WeakPolarHBondContact O-CB 3.5Å; R242-A246 PolarHBondContact O-N 2.82Å
243F94.1Very high89.3Confident46 Ų4654.1 Ų54.120%0.20229%0.293CS..Hα-helixtrans-76.2-40.9179.7-65.4-67.5000110.6L208 E211 E215 K245 A246 F247L208-F243 HydrophobicContact CD2-CD1 4Å; E211-F243 HydrophobicContact CB-CB 3.92Å; E211-F243 HydrophobicContact CB-CD1 3.72Å; E211-F243 HydrophobicContact CB-CD2 3.74Å; E211-F243 HydrophobicContact CB-CE1 4.05Å; E211-F243 HydrophobicContact CB-CE2 4.05Å; E211-F243 HydrophobicContact CB-CG 3.54Å; E211-F243 HydrophobicContact CB-CZ 4.21Å; E211-F243 HydrophobicContact CG-CD1 4.32Å; E211-F243 HydrophobicContact CG-CE1 4.21Å; E211-F243 HydrophobicContact CG-CZ 4.3Å; E215-F243 HydrophobicContact CG-CB 4.49Å; E215-F243 HydrophobicContact CG-CD2 4.01Å; E215-F243 VanDerWaalsContact OE1-CD2 3.24Å; E215-F243 WeakPolarHBondContact OE1-CD2 3.35Å; E215-F243 PolarHBondContact OE1-N 3.14Å; E215-F243 PolarHBondContact OE2-N 2.65Å; F243-K245 VanDerWaalsContact C-N 3.31Å; F243-K245 PolarHBondContact O-N 2.74Å; F243-A246 PolarHBondContact O-N 2.86Å; F243-F247 VanDerWaalsContact O-CB 3.3Å; F243-F247 WeakPolarHBondContact O-CB 3.46Å; F243-F247 PolarHBondContact O-N 2.83Å
244Q93.5Very high89.8Confident22 Ų2251.1 Ų51.110%0.10328%0.278CS..Hα-helixtrans-60.5-39.8171.7-69.1-171.627.600112.5L110 G212 E215 E216 L241 F247 L248L110-Q244 HydrophobicContact CD1-CB 4.01Å; L110-Q244 HydrophobicContact CD2-CB 4.32Å; G212-Q244 PolarHBondContact O-NE2 3.25Å; G212-Q244 VanDerWaalsContact O-NE2 3.08Å; E215-Q244 PolarHBondContact OE2-N 2.91Å; E216-Q244 PolarHBondContact OE1-NE2 3.3Å; L241-Q244 HydrophobicContact CB-CB 4.35Å; Q244-F247 PolarHBondContact O-N 2.89Å; Q244-L248 WeakPolarHBondContact O-CG 3.34Å; Q244-L248 PolarHBondContact O-N 2.67Å
245K93.9Very high90.6Very high121 Ų12146.2 Ų46.253%0.52625%0.246SC..Hα-helixtrans-63.1-47.5174-174.4175.3-179.6176.80111.5L110 L241 F243 F247 L248 T249L110-K245 HydrophobicContact CD2-CB 3.98Å; L241-K245 VanDerWaalsContact O-CB 3.28Å; L241-K245 WeakPolarHBondContact O-CB 3.33Å; L241-K245 PolarHBondContact O-N 3.03Å; F243-K245 VanDerWaalsContact C-N 3.31Å; F243-K245 PolarHBondContact O-N 2.74Å; K245-F247 VanDerWaalsContact C-N 3.33Å; K245-F247 PolarHBondContact O-N 3.01Å; K245-L248 PolarHBondContact O-N 2.97Å; K245-T249 PolarHBondContact O-N 3.38Å; K245-T249 PolarHBondContact O-OG1 3.48Å; K245-T249 VanDerWaalsContact O-OG1 3.11Å
246A95.9Very high91.2Very high26 Ų2646.8 Ų46.822%0.21524%0.243CC..Hα-helixtrans-62.7-38.8177.600000112.6L208 R242 F243 T249 Q250L208-A246 HydrophobicContact CD1-CB 4.06Å; L208-A246 HydrophobicContact CD2-CB 3.83Å; R242-A246 WeakPolarHBondContact O-CB 3.5Å; R242-A246 PolarHBondContact O-N 2.82Å; F243-A246 PolarHBondContact O-N 2.86Å; A246-T249 PolarHBondContact O-N 2.97Å; A246-Q250 PolarHBondContact O-N 2.79Å
247F96Very high91.8Very high12 Ų1247.6 Ų47.65%0.05325%0.245CC..Hα-helixtrans-59.7-50.6173.5171.5-105.2000110.9L205 L208 A209 F243 Q244 K245 T249 Q250 L251 F303L205-F247 HydrophobicContact CD1-CD2 3.59Å; L205-F247 HydrophobicContact CD1-CE2 3.48Å; L205-F247 VanDerWaalsContact CD1-CE2 3.48Å; L205-F247 HydrophobicContact CD1-CZ 4.48Å; L205-F247 HydrophobicContact CG-CD2 4.29Å; L205-F247 HydrophobicContact CG-CE2 3.91Å; L208-F247 HydrophobicContact CB-CB 4.01Å; L208-F247 HydrophobicContact CB-CD2 4.42Å; A209-F247 HydrophobicContact CB-CD2 3.88Å; A209-F247 HydrophobicContact CB-CE2 3.72Å; A209-F247 HydrophobicContact CB-CZ 4.43Å; F243-F247 VanDerWaalsContact O-CB 3.3Å; F243-F247 WeakPolarHBondContact O-CB 3.46Å; F243-F247 PolarHBondContact O-N 2.83Å; Q244-F247 PolarHBondContact O-N 2.89Å; K245-F247 VanDerWaalsContact C-N 3.33Å; K245-F247 PolarHBondContact O-N 3.01Å; F247-T249 VanDerWaalsContact C-N 3.29Å; F247-T249 PolarHBondContact O-N 3.33Å; F247-Q250 PolarHBondContact O-N 3.35Å; F247-L251 HydrophobicContact CD1-CD1 3.97Å; F247-L251 HydrophobicContact CE1-CD1 3.35Å; F247-L251 HydrophobicContact CE1-CG 4.25Å; F247-L251 HydrophobicContact CE2-CD1 4.24Å; F247-L251 HydrophobicContact CE2-CG 4.37Å; F247-L251 HydrophobicContact CZ-CD1 3.51Å; F247-L251 HydrophobicContact CZ-CG 4.1Å; F247-L251 PolarHBondContact O-N 3.16Å; F247-F303 HydrophobicContact CE2-CD1 4.02Å; F247-F303 HydrophobicContact CE2-CE1 4.44Å; F247-F303 HydrophobicContact CZ-CB 4.23Å; F247-F303 AromaticContact CZ-CD1 3.89Å; F247-F303 HydrophobicContact CZ-CD1 3.89Å; F247-F303 HydrophobicContact CZ-CG 4.3Å
248L95.5Very high92.7Very high12 Ų1247.3 Ų47.36%0.06324%0.241CC..Hα-helixtrans-64-33.5177.3-71.3177.2000112.3L110 Q244 K245 L251 D252 R296L110-L248 HydrophobicContact CB-CD1 3.86Å; L110-L248 HydrophobicContact CD1-CD1 4.13Å; L110-L248 HydrophobicContact CD2-CD1 4.18Å; L110-L248 HydrophobicContact CG-CD1 4.28Å; Q244-L248 WeakPolarHBondContact O-CG 3.34Å; Q244-L248 PolarHBondContact O-N 2.67Å; K245-L248 PolarHBondContact O-N 2.97Å; L248-L251 HydrophobicContact CD2-CD1 4.26Å; L248-L251 PolarHBondContact O-N 2.62Å; L248-D252 VanDerWaalsContact O-CG 3.23Å; L248-D252 PolarHBondContact O-N 3.14Å; L248-R296 VanDerWaalsContact CB-NH2 3.26Å; L248-R296 PolarHBondContact O-NH2 3.1Å
249T96.2Very high93.6Very high67 Ų6748.8 Ų48.841%0.41123%0.231SC..Hα-helixtrans-65.3-41.8174-64.20000111.4K245 A246 F247 L251 D252 E253K245-T249 PolarHBondContact O-N 3.38Å; K245-T249 PolarHBondContact O-OG1 3.48Å; K245-T249 VanDerWaalsContact O-OG1 3.11Å; A246-T249 PolarHBondContact O-N 2.97Å; F247-T249 VanDerWaalsContact C-N 3.29Å; F247-T249 PolarHBondContact O-N 3.33Å; T249-L251 VanDerWaalsContact C-N 3.34Å; T249-D252 WeakPolarHBondContact O-CB 3.39Å; T249-D252 PolarHBondContact O-N 2.98Å; T249-E253 PolarHBondContact O-N 3.15Å
250Q94.7Very high94.2Very high6 Ų648.9 Ų48.93%0.02824%0.235CC..Hα-helixtrans-69-33.8176.3-167.7162.59.300112.4R201 R204 L205 A246 F247 D252 E253 L254R201-Q250 PolarHBondContact O-NE2 2.86Å; R204-Q250 VanDerWaalsContact CG-OE1 3.24Å; R204-Q250 VanDerWaalsContact NH1-CD 3.33Å; L205-Q250 HydrophobicContact CD1-CB 4.22Å; L205-Q250 HydrophobicContact CD1-CG 4.25Å; A246-Q250 PolarHBondContact O-N 2.79Å; F247-Q250 PolarHBondContact O-N 3.35Å; Q250-D252 VanDerWaalsContact C-N 3.32Å; Q250-E253 WeakPolarHBondContact O-CB 3.38Å; Q250-E253 PolarHBondContact O-N 3.06Å; Q250-L254 PolarHBondContact O-N 2.82Å
251L95.4Very high94.7Very high2 Ų252.8 Ų52.81%0.0126%0.26CS..Hα-helixtrans-63.3-36.5169.9-76.3177.9000112.4L205 F247 L248 T249 E253 L254 L255 V299 G300L205-L251 HydrophobicContact CD1-CD2 3.94Å; L205-L251 HydrophobicContact CD1-CG 4.01Å; L205-L251 HydrophobicContact CD2-CD2 4.26Å; F247-L251 HydrophobicContact CD1-CD1 3.97Å; F247-L251 HydrophobicContact CE1-CD1 3.35Å; F247-L251 HydrophobicContact CE1-CG 4.25Å; F247-L251 HydrophobicContact CE2-CD1 4.24Å; F247-L251 HydrophobicContact CE2-CG 4.37Å; F247-L251 HydrophobicContact CZ-CD1 3.51Å; F247-L251 HydrophobicContact CZ-CG 4.1Å; F247-L251 PolarHBondContact O-N 3.16Å; L248-L251 HydrophobicContact CD2-CD1 4.26Å; L248-L251 PolarHBondContact O-N 2.62Å; T249-L251 VanDerWaalsContact C-N 3.34Å; L251-E253 VanDerWaalsContact C-N 3.26Å; L251-E253 PolarHBondContact O-N 3.36Å; L251-L254 HydrophobicContact CD2-CD1 4.39Å; L251-L254 PolarHBondContact O-N 3.02Å; L251-L255 WeakPolarHBondContact O-CB 3.36Å; L251-L255 VanDerWaalsContact O-CG 3.27Å; L251-L255 WeakPolarHBondContact O-CG 3.06Å; L251-L255 PolarHBondContact O-N 3.36Å; L251-V299 HydrophobicContact CD2-CG1 4.5Å; L251-G300 VanDerWaalsContact CD1-CA 3.45Å
252D96.5Very high95Very high48 Ų4855.1 Ų55.126%0.25727%0.268SS..Hα-helixtrans-60.4-36.8176.8-66.1-25.1000111.8L248 T249 Q250 L255 T256 R296L248-D252 VanDerWaalsContact O-CG 3.23Å; L248-D252 PolarHBondContact O-N 3.14Å; T249-D252 WeakPolarHBondContact O-CB 3.39Å; T249-D252 PolarHBondContact O-N 2.98Å; Q250-D252 VanDerWaalsContact C-N 3.32Å; D252-L255 PolarHBondContact O-N 3.32Å; D252-T256 VanDerWaalsContact O-CB 3.32Å; D252-T256 WeakPolarHBondContact O-CB 3.49Å; D252-T256 PolarHBondContact O-N 2.76Å; D252-T256 PolarHBondContact O-OG1 2.98Å; D252-R296 VanDerWaalsContact CG-CZ 3.43Å; D252-R296 IonicContact OD1-CZ 3.26Å; D252-R296 IonicContact OD1-NE 2.86Å; D252-R296 PolarHBondContact OD1-NE 2.77Å; D252-R296 IonicContact OD1-NH1 2.89Å; D252-R296 IonicContact OD1-NH2 2.61Å; D252-R296 PolarHBondContact OD1-NH2 3.08Å; D252-R296 IonicContact OD2-CZ 2.89Å; D252-R296 IonicContact OD2-NE 3.9Å; D252-R296 IonicContact OD2-NH1 3.49Å; D252-R296 PolarHBondContact OD2-NH1 3.02Å; D252-R296 IonicContact OD2-NH2 3.61Å; D252-R296 PolarHBondContact OD2-NH2 3.05Å
253E95.6Very high95.1Very high100 Ų10051.9 Ų51.947%0.46726%0.262SS..Hα-helixtrans-61.2-48.4175.4-64.5174.5178.600110.7T249 Q250 L251 L255 T256 E257T249-E253 PolarHBondContact O-N 3.15Å; Q250-E253 WeakPolarHBondContact O-CB 3.38Å; Q250-E253 PolarHBondContact O-N 3.06Å; L251-E253 VanDerWaalsContact C-N 3.26Å; L251-E253 PolarHBondContact O-N 3.36Å; E253-L255 PolarHBondContact O-N 2.84Å; E253-T256 WeakPolarHBondContact O-CB 3.5Å; E253-T256 PolarHBondContact O-N 3.35Å; E253-E257 PolarHBondContact O-N 3.19Å
254L94.8Very high95.1Very high13 Ų1354.1 Ų54.17%0.06828%0.281CS..Hα-helixtrans-63.9-41.2177.7-63.1178.8000112.3F195 L205 Q250 L251 T256 E257 H258F195-L254 HydrophobicContact CE1-CD2 3.95Å; F195-L254 HydrophobicContact CZ-CD1 3.79Å; F195-L254 HydrophobicContact CZ-CD2 3.85Å; F195-L254 HydrophobicContact CZ-CG 4.47Å; L205-L254 HydrophobicContact CD2-CD1 3.96Å; Q250-L254 PolarHBondContact O-N 2.82Å; L251-L254 HydrophobicContact CD2-CD1 4.39Å; L251-L254 PolarHBondContact O-N 3.02Å; L254-T256 VanDerWaalsContact C-N 3.29Å; L254-T256 PolarHBondContact O-N 2.84Å; L254-E257 PolarHBondContact O-N 3.19Å; L254-H258 WeakPolarHBondContact O-CB 3.05Å; L254-H258 PolarHBondContact O-N 3.32Å
255L96.3Very high95.1Very high5 Ų557 Ų573%0.02631%0.308CS..Hα-helixtrans-66.5-33.2176.3-70172.8000111.8L251 D252 E253 R259 T272 L295 R296 V299L251-L255 WeakPolarHBondContact O-CB 3.36Å; L251-L255 VanDerWaalsContact O-CG 3.27Å; L251-L255 WeakPolarHBondContact O-CG 3.06Å; L251-L255 PolarHBondContact O-N 3.36Å; D252-L255 PolarHBondContact O-N 3.32Å; E253-L255 PolarHBondContact O-N 2.84Å; L255-R259 VanDerWaalsContact O-CG 3.25Å; L255-R259 WeakPolarHBondContact O-CG 3.14Å; L255-R259 PolarHBondContact O-N 3.11Å; L255-T272 HydrophobicContact CD2-CG2 3.82Å; L255-L295 HydrophobicContact CD1-CD2 4.48Å; L255-L295 HydrophobicContact CD1-CG 4.31Å; L255-L295 HydrophobicContact CD2-CD2 4.42Å; L255-L295 HydrophobicContact CD2-CG 4.46Å; L255-R296 HydrophobicContact CD1-CB 4Å; L255-V299 HydrophobicContact CD2-CG1 4.38Å; L255-V299 HydrophobicContact CD2-CG2 4.15Å
256T96.6Very high95.1Very high78 Ų7856.9 Ų56.948%0.47931%0.31SS..Hα-helixtrans-67.9-46.9175.7-600000110.6D252 E253 L254 H258 R259 M260D252-T256 VanDerWaalsContact O-CB 3.32Å; D252-T256 WeakPolarHBondContact O-CB 3.49Å; D252-T256 PolarHBondContact O-N 2.76Å; D252-T256 PolarHBondContact O-OG1 2.98Å; E253-T256 WeakPolarHBondContact O-CB 3.5Å; E253-T256 PolarHBondContact O-N 3.35Å; L254-T256 VanDerWaalsContact C-N 3.29Å; L254-T256 PolarHBondContact O-N 2.84Å; T256-H258 VanDerWaalsContact C-N 3.3Å; T256-H258 PolarHBondContact O-N 2.87Å; T256-R259 PolarHBondContact O-N 2.66Å; T256-M260 WeakPolarHBondContact O-CG 3.13Å; T256-M260 PolarHBondContact O-N 2.89Å
257E94.9Very high94.8Very high70 Ų7060.3 Ų60.333%0.32733%0.33SS..Hα-helixtrans-56.8-45.7173.3-72.3179.6-166.700111.5R193 R201 E253 L254 R259 M260 T261R193-E257 IonicContact NH1-OE2 3.24Å; R193-E257 PolarHBondContact NH1-OE2 3.38Å; R193-E257 VanDerWaalsContact NH1-OE2 3.11Å; R201-E257 IonicContact CZ-OE1 2.61Å; R201-E257 IonicContact NH1-OE1 2.98Å; R201-E257 PolarHBondContact NH1-OE1 3.24Å; R201-E257 IonicContact NH1-OE2 3.62Å; R201-E257 PolarHBondContact NH1-OE2 2.73Å; E253-E257 PolarHBondContact O-N 3.19Å; L254-E257 PolarHBondContact O-N 3.19Å; E257-R259 VanDerWaalsContact C-N 3.35Å; E257-R259 PolarHBondContact O-N 2.66Å; E257-M260 WeakPolarHBondContact O-CB 3.25Å; E257-M260 PolarHBondContact O-N 3.14Å; E257-T261 PolarHBondContact O-N 2.92Å
258H94.6Very high94.7Very high9 Ų962.4 Ų62.44%0.04235%0.345CS..Hα-helixtrans-65.6-36.7-178.5-165.1174.2000112.7C191 L254 T256 M260 T261 W262 D270 E273C191-H258 WeakPolarHBondContact CA-CE1 3.49Å; C191-H258 WeakPolarHBondContact CA-ND1 3.48Å; C191-H258 PolarHBondContact O-CE1 3.25Å; C191-H258 VanDerWaalsContact O-CE1 3.28Å; L254-H258 WeakPolarHBondContact O-CB 3.05Å; L254-H258 PolarHBondContact O-N 3.32Å; T256-H258 VanDerWaalsContact C-N 3.3Å; T256-H258 PolarHBondContact O-N 2.87Å; H258-M260 PolarHBondContact O-N 2.96Å; H258-T261 PolarHBondContact O-N 3.45Å; H258-T261 VanDerWaalsContact O-N 3.13Å; H258-T261 PolarHBondContact O-OG1 3.47Å; H258-W262 PolarHBondContact O-N 3.37Å; H258-D270 IonicContact CE1-OD1 3.14Å; H258-D270 PolarHBondContact CE1-OD1 3.42Å; H258-D270 IonicContact CE1-OD2 3.12Å; H258-D270 PolarHBondContact CE1-OD2 2.91Å; H258-D270 IonicContact NE2-OD1 2.66Å; H258-D270 IonicContact NE2-OD2 3.6Å; H258-D270 PolarHBondContact NE2-OD2 3.31Å; H258-E273 IonicContact NE2-OE1 2.95Å
259R94.7Very high94.4Very high82 Ų8268.1 Ų68.131%0.30937%0.365SS..Hα-helixtrans-59.1-30.9172-75.4168.8-171.2-152.8-3.3112.8L255 T256 E257 L276 D292L255-R259 VanDerWaalsContact O-CG 3.25Å; L255-R259 WeakPolarHBondContact O-CG 3.14Å; L255-R259 PolarHBondContact O-N 3.11Å; T256-R259 PolarHBondContact O-N 2.66Å; E257-R259 VanDerWaalsContact C-N 3.35Å; E257-R259 PolarHBondContact O-N 2.66Å; R259-L276 HydrophobicContact CG-CD1 4.04Å; R259-L276 HydrophobicContact CG-CD2 4.46Å; R259-D292 IonicContact CZ-OD1 3.88Å; R259-D292 IonicContact NH1-OD1 3.36Å; R259-D292 PolarHBondContact NH1-OD1 2.91Å; R259-D292 IonicContact NH2-OD1 2.82Å; R259-D292 PolarHBondContact NH2-OD1 3.26Å
260M95Very high94.3Very high149 Ų14965 Ų6573%0.73435%0.346SS*.Hα-helixtrans-77.4-25179-59.3-61.399.400112.6T256 E257 H258T256-M260 WeakPolarHBondContact O-CG 3.13Å; T256-M260 PolarHBondContact O-N 2.89Å; E257-M260 WeakPolarHBondContact O-CB 3.25Å; E257-M260 PolarHBondContact O-N 3.14Å; H258-M260 PolarHBondContact O-N 2.96Å
261T94.2Very high94.3Very high93 Ų9364.7 Ų64.757%0.57135%0.345SS*.Hα-helixtrans-99.3-4.8180630000113.5E257 H258 D263E257-T261 PolarHBondContact O-N 2.92Å; H258-T261 PolarHBondContact O-N 3.45Å; H258-T261 VanDerWaalsContact O-N 3.13Å; H258-T261 PolarHBondContact O-OG1 3.47Å; T261-D263 PolarHBondContact O-N 3.35Å
262W94.9Very high94.4Very high52 Ų5264.6 Ų64.620%0.19734%0.344CS..  trans-70122.7178.4173.537.8000111.3H258 P264 E273 L276 A277 E280H258-W262 PolarHBondContact O-N 3.37Å; W262-P264 HydrophobicContact CH2-CB 4.2Å; W262-P264 HydrophobicContact CZ2-CB 3.76Å; W262-P264 WeakPolarHBondContact O-CD 3.16Å; W262-E273 HydrophobicContact CB-CG 4.5Å; W262-E273 VanDerWaalsContact CD1-CG 3.49Å; W262-E273 HydrophobicContact CG-CG 4.12Å; W262-L276 HydrophobicContact CD2-CB 4.34Å; W262-L276 HydrophobicContact CD2-CD1 3.98Å; W262-L276 HydrophobicContact CE3-CB 4.1Å; W262-L276 HydrophobicContact CE3-CD1 3.72Å; W262-L276 HydrophobicContact CE3-CG 4.49Å; W262-L276 HydrophobicContact CG-CD1 4.41Å; W262-L276 HydrophobicContact CH2-CB 3.68Å; W262-L276 HydrophobicContact CZ2-CB 3.94Å; W262-L276 HydrophobicContact CZ3-CB 3.77Å; W262-L276 HydrophobicContact CZ3-CD1 4.17Å; W262-L276 HydrophobicContact CZ3-CG 4.47Å; W262-A277 HydrophobicContact CZ2-CB 4.48Å; W262-E280 HydrophobicContact CH2-CG 4.01Å
263D94.2Very high94.4Very high76 Ų7662.3 Ų62.341%0.40633%0.332SS..  trans-98.4103.1169.2-176.9-1.7000110.3T261 A265 Q266T261-D263 PolarHBondContact O-N 3.35Å; D263-A265 PolarHBondContact O-N 3.04Å; D263-A265 VanDerWaalsContact OD1-CB 3.25Å; D263-A265 WeakPolarHBondContact OD1-CB 3.42Å; D263-A265 PolarHBondContact OD1-N 2.79Å; D263-Q266 HydrophobicContact CB-CG 4.41Å; D263-Q266 PolarHBondContact O-N 3.11Å; D263-Q266 WeakPolarHBondContact OD2-CG 3.42Å
264P93.3Very high94.4Very high94 Ų9458.3 Ų58.361%0.6132%0.316SS*.THydrogen-bonded Turntrans-68.9-10.7179.529.2-35.6000113.9W262 Q266W262-P264 HydrophobicContact CH2-CB 4.2Å; W262-P264 HydrophobicContact CZ2-CB 3.76Å; W262-P264 WeakPolarHBondContact O-CD 3.16Å; P264-Q266 VanDerWaalsContact C-N 3.34Å
265A94.3Very high94.5Very high82 Ų8257.7 Ų57.768%0.67831%0.312SS*.THydrogen-bonded Turntrans-78.8-18.9176.200000112.9D263D263-A265 PolarHBondContact O-N 3.04Å; D263-A265 VanDerWaalsContact OD1-CB 3.25Å; D263-A265 WeakPolarHBondContact OD1-CB 3.42Å; D263-A265 PolarHBondContact OD1-N 2.79Å
266Q92.7Very high94.6Very high118 Ų11857.8 Ų57.855%0.55131%0.313SS*.SBendtrans-98.6157-179.6-63.8-60.7-33.500112.2D263 P264D263-Q266 HydrophobicContact CB-CG 4.41Å; D263-Q266 PolarHBondContact O-N 3.11Å; D263-Q266 WeakPolarHBondContact OD2-CG 3.42Å; P264-Q266 VanDerWaalsContact C-N 3.34Å
267P91.3Very high94.5Very high98 Ų9855.5 Ų55.564%0.63630%0.302SS*.PPolyproline II helixtrans-57.3138.8168.7-22.533.9000111.1R269P267-R269 PolarHBondContact O-N 2.94Å
268P92.3Very high94.6Very high56 Ų5657 Ų5736%0.36431%0.307SS..PPolyproline II helixtrans-55.1128.1179.1-28.435.5000113.2E273 A274 A277P268-E273 WeakPolarHBondContact CA-OE2 3.4Å; P268-E273 HydrophobicContact CB-CB 3.88Å; P268-A274 HydrophobicContact CB-CB 3.85Å; P268-A274 HydrophobicContact CG-CB 4.28Å; P268-A277 HydrophobicContact CG-CB 4.5Å
269R91Very high94.7Very high133 Ų13358.5 Ų58.550%0.50231%0.314SS..  trans-85.8-23-178.9-59.4178.4-63.4162-0.3113.1L142 P267 E273L142-R269 WeakPolarHBondContact CD2-O 3.49Å; P267-R269 PolarHBondContact O-N 2.94Å; R269-E273 IonicContact CZ-OE1 3.22Å; R269-E273 VanDerWaalsContact CZ-OE1 3.26Å; R269-E273 PolarHBondContact N-OE2 3.07Å; R269-E273 IonicContact NE-OE1 2.95Å; R269-E273 PolarHBondContact NE-OE1 3.31Å; R269-E273 IonicContact NE-OE2 3.38Å; R269-E273 IonicContact NH2-OE1 3.84Å; R269-E273 PolarHBondContact NH2-OE1 3.14Å
270D93.5Very high94.6Very high0 Ų058.5 Ų58.50%032%0.317CS..SBendtrans-147.6178.3-17558.464.2000111.2L189 H258 T272 E273 A274L189-D270 WeakPolarHBondContact O-CB 3.35Å; H258-D270 IonicContact CE1-OD1 3.14Å; H258-D270 PolarHBondContact CE1-OD1 3.42Å; H258-D270 IonicContact CE1-OD2 3.12Å; H258-D270 PolarHBondContact CE1-OD2 2.91Å; H258-D270 IonicContact NE2-OD1 2.66Å; H258-D270 IonicContact NE2-OD2 3.6Å; H258-D270 PolarHBondContact NE2-OD2 3.31Å; D270-T272 WeakPolarHBondContact OD1-CA 3.16Å; D270-T272 PolarHBondContact OD1-N 2.6Å; D270-E273 PolarHBondContact OD1-N 2.91Å; D270-A274 WeakPolarHBondContact O-CB 3.34Å; D270-A274 PolarHBondContact O-N 3.07Å
271L94.8Very high94.6Very high0 Ų059.8 Ų59.80%032%0.319CS..Hα-helixtrans-69.1-32.6-176.8-175144.8000113.3F134 T138 L189 A274 F275 V298 V299 L302F134-L271 HydrophobicContact CE1-CD1 4.28Å; F134-L271 HydrophobicContact CE1-CD2 3.95Å; F134-L271 HydrophobicContact CE1-CG 3.84Å; F134-L271 HydrophobicContact CZ-CD2 4.48Å; F134-L271 HydrophobicContact CZ-CG 4.13Å; T138-L271 HydrophobicContact CG2-CB 3.97Å; T138-L271 HydrophobicContact CG2-CD1 4.1Å; T138-L271 HydrophobicContact CG2-CG 4.03Å; L189-L271 WeakPolarHBondContact O-CB 3.34Å; L189-L271 PolarHBondContact O-N 3.01Å; L271-A274 PolarHBondContact O-N 2.73Å; L271-F275 WeakPolarHBondContact O-CB 3.44Å; L271-F275 PolarHBondContact O-N 2.79Å; L271-V298 HydrophobicContact CD2-CG1 4.24Å; L271-V299 HydrophobicContact CD2-CG2 4.41Å; L271-L302 HydrophobicContact CD1-CD1 3.37Å; L271-L302 HydrophobicContact CD2-CD1 3.95Å; L271-L302 HydrophobicContact CG-CD1 4.29Å
272T96.8Very high94.5Very high0 Ų056.1 Ų56.10%030%0.298CS..Hα-helixtrans-68.3-46.4179.2-67.30000110.5T190 L255 D270 A274 F275 L276 L295T190-T272 WeakPolarHBondContact O-CB 3.48Å; T190-T272 PolarHBondContact O-N 2.85Å; T190-T272 PolarHBondContact O-OG1 3.44Å; L255-T272 HydrophobicContact CD2-CG2 3.82Å; D270-T272 WeakPolarHBondContact OD1-CA 3.16Å; D270-T272 PolarHBondContact OD1-N 2.6Å; T272-A274 VanDerWaalsContact C-N 3.3Å; T272-A274 PolarHBondContact O-N 2.92Å; T272-F275 WeakPolarHBondContact O-CB 3.47Å; T272-F275 PolarHBondContact O-N 3.2Å; T272-F275 VanDerWaalsContact O-N 3.12Å; T272-L276 HydrophobicContact CG2-CD1 4.02Å; T272-L276 HydrophobicContact CG2-CG 4.34Å; T272-L276 VanDerWaalsContact O-CG 3.3Å; T272-L276 WeakPolarHBondContact O-CG 3.42Å; T272-L276 PolarHBondContact O-N 2.83Å; T272-L295 HydrophobicContact CG2-CD1 4.3Å
273E96.3Very high94.3Very high1 Ų160.4 Ų60.41%0.00532%0.318CS..Hα-helixtrans-60.3-41.2175.3-66.4-176.1178.600111.4H258 W262 P268 R269 D270 F275 L276 A277H258-E273 IonicContact NE2-OE1 2.95Å; W262-E273 HydrophobicContact CB-CG 4.5Å; W262-E273 VanDerWaalsContact CD1-CG 3.49Å; W262-E273 HydrophobicContact CG-CG 4.12Å; P268-E273 WeakPolarHBondContact CA-OE2 3.4Å; P268-E273 HydrophobicContact CB-CB 3.88Å; R269-E273 IonicContact CZ-OE1 3.22Å; R269-E273 VanDerWaalsContact CZ-OE1 3.26Å; R269-E273 PolarHBondContact N-OE2 3.07Å; R269-E273 IonicContact NE-OE1 2.95Å; R269-E273 PolarHBondContact NE-OE1 3.31Å; R269-E273 IonicContact NE-OE2 3.38Å; R269-E273 IonicContact NH2-OE1 3.84Å; R269-E273 PolarHBondContact NH2-OE1 3.14Å; D270-E273 PolarHBondContact OD1-N 2.91Å; E273-F275 VanDerWaalsContact C-N 3.29Å; E273-F275 PolarHBondContact O-N 3Å; E273-L276 PolarHBondContact O-N 3.49Å; E273-A277 WeakPolarHBondContact O-CB 3.46Å; E273-A277 PolarHBondContact O-N 3.17Å
274A96Very high94.1Very high15 Ų1560.7 Ų60.712%0.12434%0.338CS..Hα-helixtrans-64.6-3617700000111.9F134 T138 P268 D270 L271 T272 K278F134-A274 HydrophobicContact CE2-CB 3.95Å; F134-A274 HydrophobicContact CZ-CB 3.99Å; T138-A274 HydrophobicContact CG2-CB 4.12Å; P268-A274 HydrophobicContact CB-CB 3.85Å; P268-A274 HydrophobicContact CG-CB 4.28Å; D270-A274 WeakPolarHBondContact O-CB 3.34Å; D270-A274 PolarHBondContact O-N 3.07Å; L271-A274 PolarHBondContact O-N 2.73Å; T272-A274 VanDerWaalsContact C-N 3.3Å; T272-A274 PolarHBondContact O-N 2.92Å; A274-K278 WeakPolarHBondContact O-CG 3.33Å; A274-K278 PolarHBondContact O-N 3.44Å
275F97.5Very high94Very high0 Ų059.4 Ų59.40%033%0.332CS..Hα-helixtrans-69.5-45.5175.8-167-70.6000110.9F134 L271 T272 E273 A277 K278 K279 F290 N291 N294 L295 V298F134-F275 HydrophobicContact CD1-CD2 4.32Å; F134-F275 HydrophobicContact CE1-CB 4.14Å; F134-F275 AromaticContact CE1-CD2 3.73Å; F134-F275 HydrophobicContact CE1-CD2 3.73Å; F134-F275 HydrophobicContact CE1-CG 4.41Å; F134-F275 HydrophobicContact CZ-CB 3.77Å; F134-F275 HydrophobicContact CZ-CD2 4.17Å; F134-F275 HydrophobicContact CZ-CG 4.41Å; L271-F275 WeakPolarHBondContact O-CB 3.44Å; L271-F275 PolarHBondContact O-N 2.79Å; T272-F275 WeakPolarHBondContact O-CB 3.47Å; T272-F275 PolarHBondContact O-N 3.2Å; T272-F275 VanDerWaalsContact O-N 3.12Å; E273-F275 VanDerWaalsContact C-N 3.29Å; E273-F275 PolarHBondContact O-N 3Å; F275-A277 VanDerWaalsContact C-N 3.35Å; F275-A277 PolarHBondContact O-N 3.01Å; F275-K278 WeakPolarHBondContact O-CB 3.45Å; F275-K278 PolarHBondContact O-N 2.63Å; F275-K278 VanDerWaalsContact O-N 3.11Å; F275-K279 PolarHBondContact O-N 3.42Å; F275-F290 HydrophobicContact CD1-CD1 4.09Å; F275-F290 AromaticContact CD2-CD1 3.89Å; F275-F290 HydrophobicContact CD2-CD1 3.89Å; F275-F290 HydrophobicContact CD2-CE1 4.11Å; F275-F290 HydrophobicContact CE1-CB 4.19Å; F275-F290 AromaticContact CE1-CD1 3.98Å; F275-F290 HydrophobicContact CE1-CD1 3.98Å; F275-F290 AromaticContact CE2-CD1 3.78Å; F275-F290 HydrophobicContact CE2-CD1 3.78Å; F275-F290 HydrophobicContact CE2-CE1 4.2Å; F275-F290 HydrophobicContact CG-CD1 4.04Å; F275-F290 HydrophobicContact CZ-CB 4.38Å; F275-F290 AromaticContact CZ-CD1 3.83Å; F275-F290 HydrophobicContact CZ-CD1 3.83Å; F275-N291 WeakPolarHBondContact CE1-O 3.25Å; F275-N294 HydrophobicContact CZ-CB 4.32Å; F275-L295 HydrophobicContact CB-CD1 3.81Å; F275-L295 HydrophobicContact CD1-CB 3.95Å; F275-L295 HydrophobicContact CD1-CD1 3.61Å; F275-L295 HydrophobicContact CD1-CG 4.26Å; F275-L295 HydrophobicContact CD2-CD1 4.12Å; F275-L295 HydrophobicContact CE1-CB 3.66Å; F275-L295 HydrophobicContact CE1-CD1 4.19Å; F275-L295 HydrophobicContact CE1-CG 4.47Å; F275-L295 HydrophobicContact CG-CD1 3.58Å; F275-L295 HydrophobicContact CZ-CB 4.06Å; F275-V298 HydrophobicContact CE2-CB 4.33Å; F275-V298 HydrophobicContact CE2-CG2 4.13Å
276L97Very high93.7Very high8 Ų861.1 Ų61.14%0.04234%0.336CS..Hα-helixtrans-60.6-43.5177.7-69172.7000111.2R259 W262 T272 E273 K278 K279 E280 L295R259-L276 HydrophobicContact CG-CD1 4.04Å; R259-L276 HydrophobicContact CG-CD2 4.46Å; W262-L276 HydrophobicContact CD2-CB 4.34Å; W262-L276 HydrophobicContact CD2-CD1 3.98Å; W262-L276 HydrophobicContact CE3-CB 4.1Å; W262-L276 HydrophobicContact CE3-CD1 3.72Å; W262-L276 HydrophobicContact CE3-CG 4.49Å; W262-L276 HydrophobicContact CG-CD1 4.41Å; W262-L276 HydrophobicContact CH2-CB 3.68Å; W262-L276 HydrophobicContact CZ2-CB 3.94Å; W262-L276 HydrophobicContact CZ3-CB 3.77Å; W262-L276 HydrophobicContact CZ3-CD1 4.17Å; W262-L276 HydrophobicContact CZ3-CG 4.47Å; T272-L276 HydrophobicContact CG2-CD1 4.02Å; T272-L276 HydrophobicContact CG2-CG 4.34Å; T272-L276 VanDerWaalsContact O-CG 3.3Å; T272-L276 WeakPolarHBondContact O-CG 3.42Å; T272-L276 PolarHBondContact O-N 2.83Å; E273-L276 PolarHBondContact O-N 3.49Å; L276-K278 VanDerWaalsContact C-N 3.28Å; L276-K278 PolarHBondContact O-N 3.01Å; L276-K279 WeakPolarHBondContact O-CB 3.32Å; L276-K279 PolarHBondContact O-N 3.04Å; L276-E280 WeakPolarHBondContact O-CG 3.27Å; L276-E280 PolarHBondContact O-N 3.1Å; L276-L295 HydrophobicContact CD2-CD2 4.04Å
277A96Very high93.7Very high29 Ų2962.2 Ų62.224%0.2434%0.341CS..Hα-helixtrans-61.3-34.3174.400000113W262 P268 E273 F275 K281W262-A277 HydrophobicContact CZ2-CB 4.48Å; P268-A277 HydrophobicContact CG-CB 4.5Å; E273-A277 WeakPolarHBondContact O-CB 3.46Å; E273-A277 PolarHBondContact O-N 3.17Å; F275-A277 VanDerWaalsContact C-N 3.35Å; F275-A277 PolarHBondContact O-N 3.01Å; A277-K281 WeakPolarHBondContact O-CG 3.26Å; A277-K281 PolarHBondContact O-N 3.47Å
278K96.1Very high93.8Very high102 Ų10258.3 Ų58.344%0.44332%0.316SS..Hα-helixtrans-72.8-40.4173.7-76.3-74.2-175.7175.40112.3F134 A274 F275 L276 E280 K281 A282 F290F134-K278 HydrophobicContact CD2-CG 4.36Å; F134-K278 HydrophobicContact CE2-CG 4.26Å; A274-K278 WeakPolarHBondContact O-CG 3.33Å; A274-K278 PolarHBondContact O-N 3.44Å; F275-K278 WeakPolarHBondContact O-CB 3.45Å; F275-K278 PolarHBondContact O-N 2.63Å; F275-K278 VanDerWaalsContact O-N 3.11Å; L276-K278 VanDerWaalsContact C-N 3.28Å; L276-K278 PolarHBondContact O-N 3.01Å; K278-E280 VanDerWaalsContact C-N 3.35Å; K278-K281 PolarHBondContact O-N 3.06Å; K278-A282 WeakPolarHBondContact O-CB 3.32Å; K278-A282 PolarHBondContact O-N 3Å; K278-F290 HydrophobicContact CB-CB 4.43Å; K278-F290 HydrophobicContact CB-CD1 3.52Å; K278-F290 HydrophobicContact CB-CD2 4.06Å; K278-F290 HydrophobicContact CB-CE1 3.63Å; K278-F290 HydrophobicContact CB-CE2 4.15Å; K278-F290 HydrophobicContact CB-CG 3.75Å; K278-F290 HydrophobicContact CB-CZ 3.95Å; K278-F290 HydrophobicContact CD-CE2 4.38Å; K278-F290 HydrophobicContact CD-CZ 4.29Å; K278-F290 HydrophobicContact CG-CD1 4.37Å; K278-F290 HydrophobicContact CG-CE1 3.97Å; K278-F290 HydrophobicContact CG-CE2 4.43Å; K278-F290 HydrophobicContact CG-CZ 4Å
279K95.7Very high94Very high41 Ų4155.6 Ų55.618%0.17830%0.299CS..Hα-helixtrans-58.7-46174.6-179.9-169.5175.1-160.50111.1F275 L276 K281 A282 K283 F290 D292F275-K279 PolarHBondContact O-N 3.42Å; L276-K279 WeakPolarHBondContact O-CB 3.32Å; L276-K279 PolarHBondContact O-N 3.04Å; K279-K281 VanDerWaalsContact C-N 3.34Å; K279-K281 PolarHBondContact O-N 3.02Å; K279-A282 CarbonylContact O-C 3.53Å; K279-A282 PolarHBondContact O-N 2.94Å; K279-K283 PolarHBondContact O-N 2.99Å; K279-F290 HydrophobicContact CB-CB 4.24Å; K279-F290 WeakPolarHBondContact CG-O 3.33Å; K279-D292 WeakPolarHBondContact CE-OD1 3.33Å; K279-D292 IonicContact NZ-OD1 3.89Å; K279-D292 PolarHBondContact NZ-OD1 2.85Å; K279-D292 IonicContact NZ-OD2 2.82Å; K279-D292 PolarHBondContact NZ-OD2 2.99Å
280E94.4Very high94.3Very high81 Ų8150.1 Ų50.138%0.37928%0.278SS..Hα-helixtrans-58.3-44.6176.6-76-59.5125.500112.2W262 L276 K278 A282 K283W262-E280 HydrophobicContact CH2-CG 4.01Å; L276-E280 WeakPolarHBondContact O-CG 3.27Å; L276-E280 PolarHBondContact O-N 3.1Å; K278-E280 VanDerWaalsContact C-N 3.35Å; E280-A282 PolarHBondContact O-N 2.9Å; E280-K283 VanDerWaalsContact CD-CE 3.41Å; E280-K283 WeakPolarHBondContact O-CB 3.36Å; E280-K283 WeakPolarHBondContact O-CG 3.49Å; E280-K283 PolarHBondContact O-N 2.82Å; E280-K283 WeakPolarHBondContact OE1-CE 3.34Å; E280-K283 IonicContact OE1-NZ 2.64Å; E280-K283 PolarHBondContact OE1-NZ 3.41Å; E280-K283 WeakPolarHBondContact OE2-CE 3.45Å; E280-K283 IonicContact OE2-NZ 2.68Å; E280-K283 PolarHBondContact OE2-NZ 2.72Å
281K94Very high94.4Very high177 Ų17751.6 Ų51.677%0.7729%0.286SS*.Hα-helixtrans-67.6-21.5175.5-69.7175.4-177.6-179.50113.7A277 K278 K279A277-K281 WeakPolarHBondContact O-CG 3.26Å; A277-K281 PolarHBondContact O-N 3.47Å; K278-K281 PolarHBondContact O-N 3.06Å; K279-K281 VanDerWaalsContact C-N 3.34Å; K279-K281 PolarHBondContact O-N 3.02Å
282A93.2Very high94.4Very high16 Ų1654.4 Ų54.413%0.13230%0.301CS..THydrogen-bonded Turntrans-95.44.2-179.300000113.6K278 K279 E280 G284 S285 S288 F290K278-A282 WeakPolarHBondContact O-CB 3.32Å; K278-A282 PolarHBondContact O-N 3Å; K279-A282 CarbonylContact O-C 3.53Å; K279-A282 PolarHBondContact O-N 2.94Å; E280-A282 PolarHBondContact O-N 2.9Å; A282-G284 PolarHBondContact O-N 2.78Å; A282-S285 WeakPolarHBondContact O-CB 3.35Å; A282-S285 PolarHBondContact O-N 3.45Å; A282-S288 VanDerWaalsContact CB-OG 3.24Å; A282-S288 WeakPolarHBondContact CB-OG 3.24Å; A282-F290 HydrophobicContact CB-CB 4.46Å
283K89.9Confident94.3Very high142 Ų14259.1 Ų59.162%0.61732%0.323SS*.THydrogen-bonded Turntrans-53.7126.4175.2-78.8179.1168.51720110.3K279 E280K279-K283 PolarHBondContact O-N 2.99Å; E280-K283 VanDerWaalsContact CD-CE 3.41Å; E280-K283 WeakPolarHBondContact O-CB 3.36Å; E280-K283 WeakPolarHBondContact O-CG 3.49Å; E280-K283 PolarHBondContact O-N 2.82Å; E280-K283 WeakPolarHBondContact OE1-CE 3.34Å; E280-K283 IonicContact OE1-NZ 2.64Å; E280-K283 PolarHBondContact OE1-NZ 3.41Å; E280-K283 WeakPolarHBondContact OE2-CE 3.45Å; E280-K283 IonicContact OE2-NZ 2.68Å; E280-K283 PolarHBondContact OE2-NZ 2.72Å
284G89.2Confident94.3Very high81 Ų8159.1 Ų59.184%0.83532%0.324SS*.THydrogen-bonded Turntrans87.7-3.3-176.500000115.6A282 P286A282-G284 PolarHBondContact O-N 2.78Å; G284-P286 WeakPolarHBondContact O-CD 3.41Å
285S91.4Very high94.4Very high68 Ų6858.5 Ų58.548%0.47632%0.318SS..  trans-100.594.2177.1-63.30000111.5A282 E287 S288A282-S285 WeakPolarHBondContact O-CB 3.35Å; A282-S285 PolarHBondContact O-N 3.45Å; S285-E287 PolarHBondContact O-N 3.41Å; S285-E287 VanDerWaalsContact O-N 3.07Å; S285-S288 VanDerWaalsContact O-CB 3.3Å; S285-S288 WeakPolarHBondContact O-CB 3.47Å; S285-S288 PolarHBondContact O-N 3.38Å
286P89.2Confident94.3Very high118 Ų11861.3 Ų61.377%0.76633%0.329SS*.THydrogen-bonded Turntrans-64.3-15.1-17927.3-36.1000113.5G284 S288G284-P286 WeakPolarHBondContact O-CD 3.41Å; P286-S288 VanDerWaalsContact C-N 3.35Å
287E91.2Very high94.3Very high141 Ų14161 Ų6166%0.65933%0.327SS*.THydrogen-bonded Turntrans-82-13176.5-59.2-168179.200114R115 S285R115-E287 WeakPolarHBondContact CD-O 3.46Å; R115-E287 PolarHBondContact NE-O 3.29Å; R115-E287 PolarHBondContact NH1-O 3.2Å; S285-E287 PolarHBondContact O-N 3.41Å; S285-E287 VanDerWaalsContact O-N 3.07Å
288S93.8Very high94.4Very high15 Ų1559.7 Ų59.711%0.10532%0.316CS..  trans-69.3136.2-177.7179.90000111.6A282 S285 P286 F290 N291A282-S288 VanDerWaalsContact CB-OG 3.24Å; A282-S288 WeakPolarHBondContact CB-OG 3.24Å; S285-S288 VanDerWaalsContact O-CB 3.3Å; S285-S288 WeakPolarHBondContact O-CB 3.47Å; S285-S288 PolarHBondContact O-N 3.38Å; P286-S288 VanDerWaalsContact C-N 3.35Å; S288-F290 VanDerWaalsContact C-N 3.28Å; S288-F290 WeakPolarHBondContact OG-CB 3.47Å; S288-F290 PolarHBondContact OG-N 3.15Å; S288-N291 PolarHBondContact O-ND2 3.27Å
289S96.4Very high94.4Very high0 Ų054.9 Ų54.90%030%0.295CS..SBendtrans-85.51.3168.266.40000113.2R115 E130 Q131 N291 N294R115-S289 WeakPolarHBondContact O-CA 3.47Å; E130-S289 WeakPolarHBondContact OE2-CB 3.48Å; E130-S289 PolarHBondContact OE2-N 3.11Å; E130-S289 PolarHBondContact OE2-OG 2.78Å; Q131-S289 WeakPolarHBondContact CG-OG 3.45Å; Q131-S289 PolarHBondContact NE2-O 3.04Å; Q131-S289 PolarHBondContact NE2-OG 3.02Å; S289-N291 PolarHBondContact O-N 2.82Å; S289-N294 VanDerWaalsContact O-CB 3.27Å; S289-N294 WeakPolarHBondContact O-CB 3.36Å; S289-N294 PolarHBondContact O-ND2 3.45Å
290F97.2Very high94.4Very high17 Ų1753.1 Ų53.18%0.07529%0.289CS..  trans-87.884.2173-62.6-79.9000110.8E130 F134 F275 K278 K279 A282 S288E130-F290 VanDerWaalsContact CD-CE2 3.47Å; E130-F290 HydrophobicContact CG-CD2 4.3Å; E130-F290 HydrophobicContact CG-CE2 3.51Å; E130-F290 HydrophobicContact CG-CZ 4.06Å; F134-F290 HydrophobicContact CB-CE1 4.22Å; F134-F290 HydrophobicContact CB-CZ 3.93Å; F134-F290 HydrophobicContact CD1-CE1 4.12Å; F134-F290 AromaticContact CD2-CE1 3.76Å; F134-F290 HydrophobicContact CD2-CE1 3.76Å; F134-F290 AromaticContact CD2-CZ 3.94Å; F134-F290 HydrophobicContact CD2-CZ 3.94Å; F134-F290 HydrophobicContact CE1-CE1 4.49Å; F134-F290 HydrophobicContact CE2-CE1 4.14Å; F134-F290 AromaticContact CG-CE1 3.75Å; F134-F290 HydrophobicContact CG-CE1 3.75Å; F134-F290 AromaticContact CG-CZ 3.92Å; F134-F290 HydrophobicContact CG-CZ 3.92Å; F275-F290 HydrophobicContact CD1-CD1 4.09Å; F275-F290 AromaticContact CD2-CD1 3.89Å; F275-F290 HydrophobicContact CD2-CD1 3.89Å; F275-F290 HydrophobicContact CD2-CE1 4.11Å; F275-F290 HydrophobicContact CE1-CB 4.19Å; F275-F290 AromaticContact CE1-CD1 3.98Å; F275-F290 HydrophobicContact CE1-CD1 3.98Å; F275-F290 AromaticContact CE2-CD1 3.78Å; F275-F290 HydrophobicContact CE2-CD1 3.78Å; F275-F290 HydrophobicContact CE2-CE1 4.2Å; F275-F290 HydrophobicContact CG-CD1 4.04Å; F275-F290 HydrophobicContact CZ-CB 4.38Å; F275-F290 AromaticContact CZ-CD1 3.83Å; F275-F290 HydrophobicContact CZ-CD1 3.83Å; K278-F290 HydrophobicContact CB-CB 4.43Å; K278-F290 HydrophobicContact CB-CD1 3.52Å; K278-F290 HydrophobicContact CB-CD2 4.06Å; K278-F290 HydrophobicContact CB-CE1 3.63Å; K278-F290 HydrophobicContact CB-CE2 4.15Å; K278-F290 HydrophobicContact CB-CG 3.75Å; K278-F290 HydrophobicContact CB-CZ 3.95Å; K278-F290 HydrophobicContact CD-CE2 4.38Å; K278-F290 HydrophobicContact CD-CZ 4.29Å; K278-F290 HydrophobicContact CG-CD1 4.37Å; K278-F290 HydrophobicContact CG-CE1 3.97Å; K278-F290 HydrophobicContact CG-CE2 4.43Å; K278-F290 HydrophobicContact CG-CZ 4Å; K279-F290 HydrophobicContact CB-CB 4.24Å; K279-F290 WeakPolarHBondContact CG-O 3.33Å; A282-F290 HydrophobicContact CB-CB 4.46Å; S288-F290 VanDerWaalsContact C-N 3.28Å; S288-F290 WeakPolarHBondContact OG-CB 3.47Å; S288-F290 PolarHBondContact OG-N 3.15Å
291N95.5Very high94.5Very high31 Ų3150.4 Ų50.417%0.16628%0.277CS..SBendtrans-135.7172177.453.862.3000110.6R115 F275 S288 S289 E293 N294 L295R115-N291 PolarHBondContact O-ND2 2.88Å; F275-N291 WeakPolarHBondContact CE1-O 3.25Å; S288-N291 PolarHBondContact O-ND2 3.27Å; S289-N291 PolarHBondContact O-N 2.82Å; N291-E293 PolarHBondContact OD1-N 3.1Å; N291-E293 PolarHBondContact OD1-OE2 3.32Å; N291-N294 PolarHBondContact O-N 2.96Å; N291-N294 WeakPolarHBondContact OD1-CB 3.36Å; N291-N294 PolarHBondContact OD1-N 2.89Å; N291-L295 PolarHBondContact O-N 2.98Å
292D94.5Very high94.5Very high59 Ų5942.9 Ų42.932%0.31625%0.245SC..Hα-helixtrans-65.7-40.5-175.4-77.3-42.6000112.5R259 K279 N294 L295R259-D292 IonicContact CZ-OD1 3.88Å; R259-D292 IonicContact NH1-OD1 3.36Å; R259-D292 PolarHBondContact NH1-OD1 2.91Å; R259-D292 IonicContact NH2-OD1 2.82Å; R259-D292 PolarHBondContact NH2-OD1 3.26Å; K279-D292 WeakPolarHBondContact CE-OD1 3.33Å; K279-D292 IonicContact NZ-OD1 3.89Å; K279-D292 PolarHBondContact NZ-OD1 2.85Å; K279-D292 IonicContact NZ-OD2 2.82Å; K279-D292 PolarHBondContact NZ-OD2 2.99Å; D292-N294 VanDerWaalsContact C-N 3.3Å; D292-N294 PolarHBondContact O-N 2.78Å; D292-L295 PolarHBondContact O-N 2.65Å
293E94.9Very high94.5Very high100 Ų10042.3 Ų42.347%0.46724%0.239SC..Hα-helixtrans-61.9-41.2178.4-62.775.4-166.600110.8N291 R296 I297N291-E293 PolarHBondContact OD1-N 3.1Å; N291-E293 PolarHBondContact OD1-OE2 3.32Å; E293-R296 WeakPolarHBondContact O-CG 3.14Å; E293-I297 WeakPolarHBondContact O-CD1 3.29Å; E293-I297 VanDerWaalsContact O-CG1 3.27Å; E293-I297 WeakPolarHBondContact O-CG1 3.47Å
294N97.1Very high94.7Very high1 Ų137.3 Ų37.31%0.00522%0.219CC..Hα-helixtrans-78.4-29.3-179.8-156.339.9000112.7S116 Q117 G118 Q131 F275 S289 N291 D292 R296 I297 V298S116-N294 WeakPolarHBondContact CA-OD1 3.33Å; Q117-N294 PolarHBondContact N-OD1 2.82Å; G118-N294 WeakPolarHBondContact CA-OD1 3.36Å; G118-N294 PolarHBondContact N-OD1 2.86Å; Q131-N294 VanDerWaalsContact CD-ND2 3.29Å; Q131-N294 WeakPolarHBondContact CG-ND2 3.34Å; Q131-N294 PolarHBondContact NE2-ND2 2.99Å; F275-N294 HydrophobicContact CZ-CB 4.32Å; S289-N294 VanDerWaalsContact O-CB 3.27Å; S289-N294 WeakPolarHBondContact O-CB 3.36Å; S289-N294 PolarHBondContact O-ND2 3.45Å; N291-N294 PolarHBondContact O-N 2.96Å; N291-N294 WeakPolarHBondContact OD1-CB 3.36Å; N291-N294 PolarHBondContact OD1-N 2.89Å; D292-N294 VanDerWaalsContact C-N 3.3Å; D292-N294 PolarHBondContact O-N 2.78Å; N294-R296 PolarHBondContact O-N 3.48Å; N294-I297 PolarHBondContact O-N 3.03Å; N294-V298 WeakPolarHBondContact O-CB 3.35Å; N294-V298 VanDerWaalsContact O-CG2 3.25Å; N294-V298 WeakPolarHBondContact O-CG2 3.45Å; N294-V298 PolarHBondContact O-N 2.94Å
295L97.3Very high94.9Very high1 Ų135.3 Ų35.31%0.00520%0.195CC..Hα-helixtrans-55.9-54.5177.1172.764000110.9L255 T272 F275 L276 N291 D292 I297 V298 V299L255-L295 HydrophobicContact CD1-CD2 4.48Å; L255-L295 HydrophobicContact CD1-CG 4.31Å; L255-L295 HydrophobicContact CD2-CD2 4.42Å; L255-L295 HydrophobicContact CD2-CG 4.46Å; T272-L295 HydrophobicContact CG2-CD1 4.3Å; F275-L295 HydrophobicContact CB-CD1 3.81Å; F275-L295 HydrophobicContact CD1-CB 3.95Å; F275-L295 HydrophobicContact CD1-CD1 3.61Å; F275-L295 HydrophobicContact CD1-CG 4.26Å; F275-L295 HydrophobicContact CD2-CD1 4.12Å; F275-L295 HydrophobicContact CE1-CB 3.66Å; F275-L295 HydrophobicContact CE1-CD1 4.19Å; F275-L295 HydrophobicContact CE1-CG 4.47Å; F275-L295 HydrophobicContact CG-CD1 3.58Å; F275-L295 HydrophobicContact CZ-CB 4.06Å; L276-L295 HydrophobicContact CD2-CD2 4.04Å; N291-L295 PolarHBondContact O-N 2.98Å; D292-L295 PolarHBondContact O-N 2.65Å; L295-I297 VanDerWaalsContact C-N 3.28Å; L295-I297 PolarHBondContact O-N 2.73Å; L295-V298 PolarHBondContact O-N 3.32Å; L295-V299 HydrophobicContact CD1-CG2 3.96Å; L295-V299 WeakPolarHBondContact O-CG2 3.27Å; L295-V299 PolarHBondContact O-N 3.04Å
296R96.6Very high95Very high60 Ų6032.7 Ų32.723%0.22618%0.179CC..Hα-helixtrans-60.5-37.1179.762.6-179.3-62.1165.816.2112.3L248 D252 L255 E293 N294 G300L248-R296 VanDerWaalsContact CB-NH2 3.26Å; L248-R296 PolarHBondContact O-NH2 3.1Å; D252-R296 VanDerWaalsContact CG-CZ 3.43Å; D252-R296 IonicContact OD1-CZ 3.26Å; D252-R296 IonicContact OD1-NE 2.86Å; D252-R296 PolarHBondContact OD1-NE 2.77Å; D252-R296 IonicContact OD1-NH1 2.89Å; D252-R296 IonicContact OD1-NH2 2.61Å; D252-R296 PolarHBondContact OD1-NH2 3.08Å; D252-R296 IonicContact OD2-CZ 2.89Å; D252-R296 IonicContact OD2-NE 3.9Å; D252-R296 IonicContact OD2-NH1 3.49Å; D252-R296 PolarHBondContact OD2-NH1 3.02Å; D252-R296 IonicContact OD2-NH2 3.61Å; D252-R296 PolarHBondContact OD2-NH2 3.05Å; L255-R296 HydrophobicContact CD1-CB 4Å; E293-R296 WeakPolarHBondContact O-CG 3.14Å; N294-R296 PolarHBondContact O-N 3.48Å; R296-G300 PolarHBondContact O-N 3.47Å
297I96.8Very high95.2Very high2 Ų227.1 Ų27.11%0.0114%0.142CC..Hα-helixtrans-69.9-43.1178.5-61.3166.7000110.2F112 E293 N294 L295 G300 N301F112-I297 HydrophobicContact CD2-CD1 3.67Å; F112-I297 HydrophobicContact CD2-CG1 4.36Å; F112-I297 HydrophobicContact CE2-CD1 3.79Å; F112-I297 HydrophobicContact CE2-CG1 4.05Å; F112-I297 HydrophobicContact CE2-CG2 3.65Å; F112-I297 HydrophobicContact CG-CD1 4.42Å; F112-I297 HydrophobicContact CZ-CG2 3.72Å; E293-I297 WeakPolarHBondContact O-CD1 3.29Å; E293-I297 VanDerWaalsContact O-CG1 3.27Å; E293-I297 WeakPolarHBondContact O-CG1 3.47Å; N294-I297 PolarHBondContact O-N 3.03Å; L295-I297 VanDerWaalsContact C-N 3.28Å; L295-I297 PolarHBondContact O-N 2.73Å; I297-G300 PolarHBondContact O-N 3.48Å; I297-N301 VanDerWaalsContact O-CB 3.23Å; I297-N301 WeakPolarHBondContact O-CB 3.35Å; I297-N301 PolarHBondContact O-N 3.4Å; I297-N301 PolarHBondContact O-ND2 2.96Å; I297-N301 VanDerWaalsContact O-ND2 3.08Å
298V97.4Very high95.3Very high1 Ų120.9 Ų20.91%0.00611%0.114CC..Hα-helixtrans-64.5-48178.9170.30000110.9Q131 L271 F275 N294 L295 N301 L302Q131-V298 HydrophobicContact CG-CG2 4.35Å; L271-V298 HydrophobicContact CD2-CG1 4.24Å; F275-V298 HydrophobicContact CE2-CB 4.33Å; F275-V298 HydrophobicContact CE2-CG2 4.13Å; N294-V298 WeakPolarHBondContact O-CB 3.35Å; N294-V298 VanDerWaalsContact O-CG2 3.25Å; N294-V298 WeakPolarHBondContact O-CG2 3.45Å; N294-V298 PolarHBondContact O-N 2.94Å; L295-V298 PolarHBondContact O-N 3.32Å; V298-N301 WeakPolarHBondContact O-CB 3.48Å; V298-N301 PolarHBondContact O-N 3.05Å; V298-L302 HydrophobicContact CG1-CD1 4.37Å; V298-L302 WeakPolarHBondContact O-CG 3.19Å; V298-L302 PolarHBondContact O-N 3.39Å
299V96.7Very high95.5Very high0 Ų022.1 Ų22.10%012%0.121CC..Hα-helixtrans-62.4-46.1177.3172.40000110.5T190 L251 L255 L271 L295 N301 L302 F303T190-V299 HydrophobicContact CG2-CG1 4.45Å; L251-V299 HydrophobicContact CD2-CG1 4.5Å; L255-V299 HydrophobicContact CD2-CG1 4.38Å; L255-V299 HydrophobicContact CD2-CG2 4.15Å; L271-V299 HydrophobicContact CD2-CG2 4.41Å; L295-V299 HydrophobicContact CD1-CG2 3.96Å; L295-V299 WeakPolarHBondContact O-CG2 3.27Å; L295-V299 PolarHBondContact O-N 3.04Å; V299-N301 PolarHBondContact O-N 3.17Å; V299-L302 PolarHBondContact O-N 3.09Å; V299-F303 WeakPolarHBondContact O-CB 3.47Å; V299-F303 PolarHBondContact O-N 3.04Å
300G96.2Very high95.5Very high5 Ų522.4 Ų22.45%0.05212%0.123CC..Hα-helixtrans-62.5-37.6176.100000114L251 R296 I297 L304L251-G300 VanDerWaalsContact CD1-CA 3.45Å; R296-G300 PolarHBondContact O-N 3.47Å; I297-G300 PolarHBondContact O-N 3.48Å; G300-L304 WeakPolarHBondContact O-CB 3.36Å; G300-L304 PolarHBondContact O-N 3.15Å
301N95.3Very high95.6Very high24 Ų2421.7 Ų21.713%0.12812%0.12CC..Hα-helixtrans-60.8-47.4174.1-85.9-157.7000111.4V119 I120 I297 V298 V299 A305V119-N301 PolarHBondContact N-OD1 3.46Å; V119-N301 VanDerWaalsContact N-OD1 3.08Å; I120-N301 HydrophobicContact CD1-CB 3.75Å; I120-N301 WeakPolarHBondContact CD1-O 3.45Å; I120-N301 HydrophobicContact CG1-CB 4.07Å; I120-N301 PolarHBondContact N-OD1 3.18Å; I120-N301 VanDerWaalsContact N-OD1 3.08Å; I297-N301 VanDerWaalsContact O-CB 3.23Å; I297-N301 WeakPolarHBondContact O-CB 3.35Å; I297-N301 PolarHBondContact O-N 3.4Å; I297-N301 PolarHBondContact O-ND2 2.96Å; I297-N301 VanDerWaalsContact O-ND2 3.08Å; V298-N301 WeakPolarHBondContact O-CB 3.48Å; V298-N301 PolarHBondContact O-N 3.05Å; V299-N301 PolarHBondContact O-N 3.17Å; N301-A305 WeakPolarHBondContact O-CB 3.33Å; N301-A305 PolarHBondContact O-N 3.19Å
302L95.2Very high95.7Very high18 Ų1820.9 Ų20.99%0.09412%0.116CC..Hα-helixtrans-67.7-43.3-179.4-66176.7000111.5T190 L271 V298 V299 G306 L462T190-L302 HydrophobicContact CG2-CB 4.21Å; T190-L302 HydrophobicContact CG2-CD1 4.28Å; L271-L302 HydrophobicContact CD1-CD1 3.37Å; L271-L302 HydrophobicContact CD2-CD1 3.95Å; L271-L302 HydrophobicContact CG-CD1 4.29Å; V298-L302 HydrophobicContact CG1-CD1 4.37Å; V298-L302 WeakPolarHBondContact O-CG 3.19Å; V298-L302 PolarHBondContact O-N 3.39Å; V299-L302 PolarHBondContact O-N 3.09Å; L302-G306 PolarHBondContact O-N 2.98Å; L302-L462 HydrophobicContact CD2-CD1 3.75Å
303F93.7Very high95.9Very high4 Ų418.3 Ų18.32%0.01810%0.103CC..Hα-helixtrans-58.7-55.4177.7-160.9-80.2000111.5I186 A187 F202 L205 L206 F247 V299 M307I186-F303 HydrophobicContact CB-CD2 4.46Å; I186-F303 HydrophobicContact CG2-CB 4.31Å; I186-F303 HydrophobicContact CG2-CD2 4.2Å; A187-F303 HydrophobicContact CB-CE2 4.31Å; F202-F303 HydrophobicContact CE2-CZ 4.25Å; L205-F303 HydrophobicContact CD2-CE1 3.93Å; L205-F303 HydrophobicContact CD2-CE2 3.9Å; L205-F303 HydrophobicContact CD2-CZ 3.5Å; L205-F303 HydrophobicContact CG-CE1 4.2Å; L205-F303 HydrophobicContact CG-CZ 4.24Å; L206-F303 HydrophobicContact CD2-CE1 4.32Å; L206-F303 HydrophobicContact CD2-CZ 4.46Å; F247-F303 HydrophobicContact CE2-CD1 4.02Å; F247-F303 HydrophobicContact CE2-CE1 4.44Å; F247-F303 HydrophobicContact CZ-CB 4.23Å; F247-F303 AromaticContact CZ-CD1 3.89Å; F247-F303 HydrophobicContact CZ-CD1 3.89Å; F247-F303 HydrophobicContact CZ-CG 4.3Å; V299-F303 WeakPolarHBondContact O-CB 3.47Å; V299-F303 PolarHBondContact O-N 3.04Å; F303-M307 HydrophobicContact CE1-SD 4Å; F303-M307 WeakPolarHBondContact O-CB 3.46Å; F303-M307 PolarHBondContact O-N 3.45Å
304L92.6Very high96Very high37 Ų3713.8 Ų13.819%0.1948%0.082CC..Hα-helixtrans-61.8-51.1-179.3-173.569.2000111.1A209 G300 G306 M307 V308A209-L304 HydrophobicContact CB-CD1 3.96Å; A209-L304 WeakPolarHBondContact O-CD1 3.37Å; G300-L304 WeakPolarHBondContact O-CB 3.36Å; G300-L304 PolarHBondContact O-N 3.15Å; L304-G306 PolarHBondContact O-N 3.43Å; L304-M307 PolarHBondContact O-N 3.3Å; L304-V308 HydrophobicContact CD1-CG1 4.38Å; L304-V308 WeakPolarHBondContact O-CG2 3.39Å; L304-V308 PolarHBondContact O-N 3.35Å
305A94.5Very high96.1Very high39 Ų3913.7 Ų13.732%0.3228%0.081SC..Hα-helixtrans-66.5-38.7-175.100000113.4I120 N301 T309I120-A305 HydrophobicContact CD1-CB 3.8Å; N301-A305 WeakPolarHBondContact O-CB 3.33Å; N301-A305 PolarHBondContact O-N 3.19Å; A305-T309 WeakPolarHBondContact O-CG2 3.4Å; A305-T309 PolarHBondContact O-OG1 2.84Å
306G93.3Very high96.2Very high14 Ų1413.7 Ų13.714%0.1448%0.081CC..Hα-helixtrans-72.6-38.2178.800000112.9V182 L302 L304 T310V182-G306 VanDerWaalsContact CG1-O 3.25Å; V182-G306 WeakPolarHBondContact CG1-O 3.48Å; L302-G306 PolarHBondContact O-N 2.98Å; L304-G306 PolarHBondContact O-N 3.43Å; G306-T310 PolarHBondContact O-OG1 3.21Å
307M93.7Very high96.2Very high0 Ų010.9 Ų10.90%07%0.071CC..Hα-helixtrans-63.5-68.9179.4175.9-179.889.700112.4V182 S183 L206 A209 Q210 F303 L304 T309 S311V182-M307 WeakPolarHBondContact CG1-O 3.33Å; S183-M307 WeakPolarHBondContact OG-CG 3.36Å; S183-M307 PolarHBondContact OG-SD 3.29Å; L206-M307 HydrophobicContact CD2-SD 3.33Å; L206-M307 WeakPolarHBondContact CD2-SD 3.34Å; A209-M307 HydrophobicContact CB-CE 3.46Å; A209-M307 VanDerWaalsContact CB-CE 3.46Å; A209-M307 HydrophobicContact CB-SD 4.42Å; Q210-M307 HydrophobicContact CG-CE 4.4Å; F303-M307 HydrophobicContact CE1-SD 4Å; F303-M307 WeakPolarHBondContact O-CB 3.46Å; F303-M307 PolarHBondContact O-N 3.45Å; L304-M307 PolarHBondContact O-N 3.3Å; M307-T309 VanDerWaalsContact C-N 3.29Å; M307-T309 PolarHBondContact O-N 3.29Å; M307-S311 WeakPolarHBondContact O-CB 3.4Å; M307-S311 PolarHBondContact O-N 2.97Å; M307-S311 VanDerWaalsContact O-N 3.14Å; M307-S311 PolarHBondContact O-OG 3.08Å
308V93.1Very high96.3Very high11 Ų1110.9 Ų10.97%0.0677%0.071CC..Hα-helixtrans-69.7-27.8-163.8-61.40000112.9L213 L304 T312 L502L213-V308 HydrophobicContact CD2-CB 4.4Å; L213-V308 HydrophobicContact CD2-CG1 4.23Å; L213-V308 HydrophobicContact CD2-CG2 4.35Å; L304-V308 HydrophobicContact CD1-CG1 4.38Å; L304-V308 WeakPolarHBondContact O-CG2 3.39Å; L304-V308 PolarHBondContact O-N 3.35Å; V308-T312 WeakPolarHBondContact O-CB 3.37Å; V308-T312 PolarHBondContact O-N 3.34Å; V308-T312 PolarHBondContact O-OG1 3.45Å; V308-L502 HydrophobicContact CB-CD1 3.76Å; V308-L502 HydrophobicContact CG2-CD1 3.25Å
309T96.9Very high96.3Very high41 Ų4110.8 Ų10.825%0.2527%0.07SC..Hα-helixtrans-78.3-48.3-175.660.50000111.5A305 M307 T313 I387 L502A305-T309 WeakPolarHBondContact O-CG2 3.4Å; A305-T309 PolarHBondContact O-OG1 2.84Å; M307-T309 VanDerWaalsContact C-N 3.29Å; M307-T309 PolarHBondContact O-N 3.29Å; T309-T313 WeakPolarHBondContact O-CB 3.2Å; T309-T313 PolarHBondContact O-N 2.82Å; T309-T313 VanDerWaalsContact O-N 3.07Å; T309-T313 PolarHBondContact O-OG1 2.82Å; T309-I387 HydrophobicContact CG2-CD1 4.31Å; T309-I387 WeakPolarHBondContact O-CD1 3.48Å; T309-L502 HydrophobicContact CG2-CD2 4.43Å
310T98Very high96.3Very high5 Ų510.9 Ų10.93%0.0317%0.071CC..Hα-helixtrans-70-43.3179.8-51.20000111V182 G306 T312 T313 L314 E470 L471V182-T310 HydrophobicContact CG1-CG2 4.34Å; V182-T310 HydrophobicContact CG2-CG2 4.02Å; G306-T310 PolarHBondContact O-OG1 3.21Å; T310-T312 PolarHBondContact O-N 2.9Å; T310-T313 PolarHBondContact O-N 3.45Å; T310-T313 VanDerWaalsContact O-N 3.17Å; T310-L314 HydrophobicContact CG2-CD1 4.32Å; T310-L314 WeakPolarHBondContact O-CG 3.49Å; T310-L314 PolarHBondContact O-N 3.05Å; T310-E470 HydrophobicContact CG2-CB 3.76Å; T310-E470 WeakPolarHBondContact CG2-OE2 3.43Å; T310-L471 HydrophobicContact CG2-CD2 3.95Å; T310-L471 HydrophobicContact CG2-CG 4.3Å
311S97.8Very high96.4Very high2 Ų210.6 Ų10.61%0.0147%0.068CC..Hα-helixtrans-63.3-41.6179.271.60000112.2D179 M307 T313 L314 A315D179-S311 WeakPolarHBondContact OD1-CB 3.41Å; D179-S311 PolarHBondContact OD1-OG 3.35Å; M307-S311 WeakPolarHBondContact O-CB 3.4Å; M307-S311 PolarHBondContact O-N 2.97Å; M307-S311 VanDerWaalsContact O-N 3.14Å; M307-S311 PolarHBondContact O-OG 3.08Å; S311-T313 VanDerWaalsContact C-N 3.33Å; S311-T313 PolarHBondContact O-N 2.87Å; S311-L314 PolarHBondContact O-N 2.93Å; S311-A315 WeakPolarHBondContact O-CB 3.4Å; S311-A315 PolarHBondContact O-N 3.48Å
312T97.5Very high96.4Very high14 Ų149.8 Ų9.89%0.0866%0.064CC..Hα-helixtrans-63.9-39174.9-62.20000111.6V308 T310 A315 W316 I387 V503 T504V308-T312 WeakPolarHBondContact O-CB 3.37Å; V308-T312 PolarHBondContact O-N 3.34Å; V308-T312 PolarHBondContact O-OG1 3.45Å; T310-T312 PolarHBondContact O-N 2.9Å; T312-A315 WeakPolarHBondContact O-CB 3.44Å; T312-A315 PolarHBondContact O-N 3.24Å; T312-W316 PolarHBondContact O-N 3Å; T312-I387 HydrophobicContact CG2-CB 4.42Å; T312-I387 HydrophobicContact CG2-CG2 3.81Å; T312-V503 WeakPolarHBondContact CG2-O 3.13Å; T312-T504 HydrophobicContact CG2-CG2 3.83Å
313T98.6Very high96.4Very high6 Ų69.7 Ų9.74%0.0376%0.063CC..Hα-helixtrans-66.4-42.5177.2-57.20000111.4T309 T310 S311 A315 W316 G317 V381 Q382 I387 L471T309-T313 WeakPolarHBondContact O-CB 3.2Å; T309-T313 PolarHBondContact O-N 2.82Å; T309-T313 VanDerWaalsContact O-N 3.07Å; T309-T313 PolarHBondContact O-OG1 2.82Å; T310-T313 PolarHBondContact O-N 3.45Å; T310-T313 VanDerWaalsContact O-N 3.17Å; S311-T313 VanDerWaalsContact C-N 3.33Å; S311-T313 PolarHBondContact O-N 2.87Å; T313-A315 VanDerWaalsContact C-N 3.31Å; T313-A315 PolarHBondContact O-N 3.46Å; T313-W316 WeakPolarHBondContact O-CB 3.35Å; T313-W316 PolarHBondContact O-N 2.84Å; T313-G317 PolarHBondContact O-N 2.99Å; T313-V381 HydrophobicContact CG2-CG1 4.11Å; T313-V381 WeakPolarHBondContact O-CG1 3.37Å; T313-Q382 HydrophobicContact CG2-CG 3.74Å; T313-I387 WeakPolarHBondContact OG1-CD1 3.5Å; T313-L471 HydrophobicContact CG2-CD1 3.89Å; T313-L471 HydrophobicContact CG2-CD2 3.49Å; T313-L471 VanDerWaalsContact CG2-CD2 3.49Å; T313-L471 HydrophobicContact CG2-CG 4.36Å
314L98.7Very high96.4Very high4 Ų411.8 Ų11.82%0.0217%0.073CC..Hα-helixtrans-63-38.3173.1-70.7170.9000111.6L178 V182 T310 S311 W316 G317 L318 L471 F474 F475L178-L314 HydrophobicContact CD1-CB 4Å; L178-L314 HydrophobicContact CD2-CB 3.97Å; L178-L314 HydrophobicContact CD2-CD1 4.19Å; L178-L314 HydrophobicContact CG-CB 4.49Å; V182-L314 HydrophobicContact CG2-CD1 3.91Å; T310-L314 HydrophobicContact CG2-CD1 4.32Å; T310-L314 WeakPolarHBondContact O-CG 3.49Å; T310-L314 PolarHBondContact O-N 3.05Å; S311-L314 PolarHBondContact O-N 2.93Å; L314-W316 VanDerWaalsContact C-N 3.35Å; L314-W316 PolarHBondContact O-N 3.43Å; L314-G317 WeakPolarHBondContact O-CA 3.5Å; L314-G317 PolarHBondContact O-N 2.84Å; L314-G317 VanDerWaalsContact O-N 3.08Å; L314-L318 PolarHBondContact O-N 2.8Å; L314-L471 HydrophobicContact CD2-CD2 3.96Å; L314-L471 HydrophobicContact CG-CD2 3.97Å; L314-F474 HydrophobicContact CD1-CB 3.88Å; L314-F474 HydrophobicContact CD1-CD2 3.91Å; L314-F474 HydrophobicContact CD1-CG 4.11Å; L314-F474 HydrophobicContact CD2-CB 3.97Å; L314-F475 HydrophobicContact CD2-CB 4.37Å
315A98.3Very high96.4Very high0 Ų013.5 Ų13.50%08%0.082CC..Hα-helixtrans-64-38.7175.100000111.9L178 S311 T312 T313 L319 P505 Y508L178-A315 HydrophobicContact CD1-CB 3.9Å; S311-A315 WeakPolarHBondContact O-CB 3.4Å; S311-A315 PolarHBondContact O-N 3.48Å; T312-A315 WeakPolarHBondContact O-CB 3.44Å; T312-A315 PolarHBondContact O-N 3.24Å; T313-A315 VanDerWaalsContact C-N 3.31Å; T313-A315 PolarHBondContact O-N 3.46Å; A315-L319 WeakPolarHBondContact O-CB 3.22Å; A315-L319 PolarHBondContact O-N 2.63Å; A315-L319 VanDerWaalsContact O-N 3.12Å; A315-P505 HydrophobicContact CB-CG 4.07Å; A315-Y508 PolarHBondContact O-OH 3.03Å
316W98.5Very high96.2Very high0 Ų014.6 Ų14.60%08%0.082CC..Hα-helixtrans-62.5-42.9168.2-85.3109.5000111.5T312 T313 L314 L319 L320 V381 F384 R497 V503 P505T312-W316 PolarHBondContact O-N 3Å; T313-W316 WeakPolarHBondContact O-CB 3.35Å; T313-W316 PolarHBondContact O-N 2.84Å; L314-W316 VanDerWaalsContact C-N 3.35Å; L314-W316 PolarHBondContact O-N 3.43Å; W316-L319 HydrophobicContact CE3-CD2 4.07Å; W316-L319 HydrophobicContact CZ3-CD2 3.99Å; W316-L319 PolarHBondContact O-N 2.77Å; W316-L320 WeakPolarHBondContact O-CB 3.43Å; W316-L320 WeakPolarHBondContact O-CD1 3.35Å; W316-L320 WeakPolarHBondContact O-CG 3.25Å; W316-L320 PolarHBondContact O-N 2.83Å; W316-V381 HydrophobicContact CB-CG1 4.04Å; W316-F384 HydrophobicContact CE3-CD1 4.39Å; W316-F384 HydrophobicContact CE3-CE1 4.47Å; W316-F384 HydrophobicContact CZ3-CD1 4.28Å; W316-F384 AromaticContact CZ3-CE1 3.96Å; W316-F384 HydrophobicContact CZ3-CE1 3.96Å; W316-R497 HydrophobicContact CH2-CG 3.89Å; W316-R497 HydrophobicContact CZ2-CG 3.94Å; W316-V503 HydrophobicContact CZ2-CG1 4.05Å; W316-V503 PolarHBondContact NE1-O 2.86Å; W316-V503 VanDerWaalsContact NE1-O 3.16Å; W316-P505 HydrophobicContact CD2-CB 4.06Å; W316-P505 HydrophobicContact CD2-CG 4.44Å; W316-P505 HydrophobicContact CE3-CB 4.23Å; W316-P505 HydrophobicContact CG-CG 4.48Å; W316-P505 HydrophobicContact CH2-CB 4.32Å; W316-P505 HydrophobicContact CZ2-CB 4.16Å; W316-P505 HydrophobicContact CZ3-CB 4.36Å
317G98.2Very high96.3Very high1 Ų114.1 Ų14.11%0.018%0.077CC..Hα-helixtrans-56.5-52.517800000112.6T313 L314 L319 L320 M321T313-G317 PolarHBondContact O-N 2.99Å; L314-G317 WeakPolarHBondContact O-CA 3.5Å; L314-G317 PolarHBondContact O-N 2.84Å; L314-G317 VanDerWaalsContact O-N 3.08Å; G317-L319 PolarHBondContact O-N 3.3Å; G317-L320 PolarHBondContact O-N 2.9Å; G317-M321 VanDerWaalsContact O-CG 3.3Å; G317-M321 WeakPolarHBondContact O-CG 3.44Å; G317-M321 PolarHBondContact O-N 3.17Å
318L98.2Very high96.4Very high2 Ų214.1 Ų14.11%0.018%0.077CC..Hα-helixtrans-64.2-39.8178.7-64.5-174.1000112.4F164 P174 L178 L314 L320 M321 I322 L478 F484 Y508 L510F164-L318 HydrophobicContact CE1-CD1 3.96Å; F164-L318 HydrophobicContact CZ-CD1 3.98Å; P174-L318 HydrophobicContact CB-CD1 3.9Å; P174-L318 HydrophobicContact CG-CD1 4.25Å; L178-L318 HydrophobicContact CD1-CD1 4.15Å; L178-L318 HydrophobicContact CD2-CD1 4.38Å; L314-L318 PolarHBondContact O-N 2.8Å; L318-L320 VanDerWaalsContact C-N 3.34Å; L318-L320 PolarHBondContact O-N 3.44Å; L318-M321 PolarHBondContact O-N 2.81Å; L318-I322 PolarHBondContact O-N 2.94Å; L318-I322 VanDerWaalsContact O-N 3.08Å; L318-L478 HydrophobicContact CD1-CD1 4.39Å; L318-L478 HydrophobicContact CD2-CD1 4.2Å; L318-F484 HydrophobicContact CD2-CD2 4.02Å; L318-F484 HydrophobicContact CD2-CE1 4.39Å; L318-F484 HydrophobicContact CD2-CE2 3.7Å; L318-F484 HydrophobicContact CD2-CG 4.49Å; L318-F484 HydrophobicContact CD2-CZ 3.91Å; L318-Y508 WeakPolarHBondContact CB-OH 3.46Å; L318-L510 HydrophobicContact CB-CD2 3.84Å; L318-L510 HydrophobicContact CD1-CD2 4.09Å
319L97.9Very high95.9Very high0 Ų018.3 Ų18.30%09%0.091CC..Hα-helixtrans-58-47.3173.5175.459.9000111.1A315 W316 G317 M321 I322 L323 P493 P505 Y508A315-L319 WeakPolarHBondContact O-CB 3.22Å; A315-L319 PolarHBondContact O-N 2.63Å; A315-L319 VanDerWaalsContact O-N 3.12Å; W316-L319 HydrophobicContact CE3-CD2 4.07Å; W316-L319 HydrophobicContact CZ3-CD2 3.99Å; W316-L319 PolarHBondContact O-N 2.77Å; G317-L319 PolarHBondContact O-N 3.3Å; L319-M321 VanDerWaalsContact C-N 3.31Å; L319-M321 PolarHBondContact O-N 3.1Å; L319-I322 HydrophobicContact CD1-CD1 4.17Å; L319-I322 HydrophobicContact CD1-CG1 4.32Å; L319-I322 WeakPolarHBondContact O-CG1 3.44Å; L319-I322 PolarHBondContact O-N 2.9Å; L319-L323 HydrophobicContact CD1-CD1 3.77Å; L319-L323 HydrophobicContact CD1-CG 4.05Å; L319-L323 HydrophobicContact CG-CD1 3.88Å; L319-L323 HydrophobicContact CG-CG 4.47Å; L319-L323 WeakPolarHBondContact O-CB 3.41Å; L319-L323 VanDerWaalsContact O-CG 3.25Å; L319-L323 WeakPolarHBondContact O-CG 3.2Å; L319-L323 PolarHBondContact O-N 3.29Å; L319-P493 HydrophobicContact CD1-CB 3.75Å; L319-P493 HydrophobicContact CD1-CG 4.46Å; L319-P505 HydrophobicContact CD2-CB 3.52Å; L319-Y508 HydrophobicContact CB-CD1 4.22Å; L319-Y508 HydrophobicContact CB-CE1 3.69Å; L319-Y508 HydrophobicContact CB-CE2 4.26Å; L319-Y508 HydrophobicContact CD1-CD1 3.98Å; L319-Y508 HydrophobicContact CD1-CD2 4.19Å; L319-Y508 HydrophobicContact CD1-CE1 4.31Å; L319-Y508 HydrophobicContact CD1-CG 3.92Å; L319-Y508 HydrophobicContact CD2-CD1 4.37Å; L319-Y508 HydrophobicContact CD2-CE1 4.44Å; L319-Y508 HydrophobicContact CG-CD1 4.42Å; L319-Y508 HydrophobicContact CG-CE1 4.36Å; L319-Y508 PolarHBondContact N-OH 2.92Å
320L97.2Very high94.4Very high1 Ų117.1 Ų17.11%0.0059%0.088CC..Hα-helixtrans-67.2-35.2-178.6-68.4164.2000111.2W316 G317 L318 I322 L323 H324 V381 F384 F433W316-L320 WeakPolarHBondContact O-CB 3.43Å; W316-L320 WeakPolarHBondContact O-CD1 3.35Å; W316-L320 WeakPolarHBondContact O-CG 3.25Å; W316-L320 PolarHBondContact O-N 2.83Å; G317-L320 PolarHBondContact O-N 2.9Å; L318-L320 VanDerWaalsContact C-N 3.34Å; L318-L320 PolarHBondContact O-N 3.44Å; L320-I322 PolarHBondContact O-N 2.97Å; L320-L323 PolarHBondContact O-N 2.83Å; L320-H324 WeakPolarHBondContact O-CB 3.21Å; L320-H324 PolarHBondContact O-CD2 3.12Å; L320-H324 PolarHBondContact O-N 3.14Å; L320-V381 HydrophobicContact CD1-CB 4.31Å; L320-V381 HydrophobicContact CD1-CG1 4.36Å; L320-V381 HydrophobicContact CD1-CG2 3.91Å; L320-F384 HydrophobicContact CD1-CD1 4.03Å; L320-F384 HydrophobicContact CD2-CD1 3.8Å; L320-F384 HydrophobicContact CD2-CE1 3.84Å; L320-F384 HydrophobicContact CG-CD1 4.49Å; L320-F433 HydrophobicContact CB-CD2 4.32Å; L320-F433 HydrophobicContact CB-CE1 4.32Å; L320-F433 HydrophobicContact CB-CE2 4.14Å; L320-F433 HydrophobicContact CB-CZ 4.13Å; L320-F433 HydrophobicContact CD1-CD2 3.65Å; L320-F433 HydrophobicContact CD1-CE2 3.7Å; L320-F433 HydrophobicContact CD1-CG 4.43Å; L320-F433 HydrophobicContact CD1-CZ 4.49Å; L320-F433 HydrophobicContact CD2-CB 3.95Å; L320-F433 HydrophobicContact CD2-CD1 4.42Å; L320-F433 HydrophobicContact CD2-CD2 3.87Å; L320-F433 HydrophobicContact CD2-CG 3.83Å; L320-F433 HydrophobicContact CG-CD2 4.14Å; L320-F433 HydrophobicContact CG-CE2 4.32Å; L320-F433 HydrophobicContact CG-CG 4.47Å
321M97.1Very high92.3Very high0 Ų022.2 Ų22.20%011%0.106CC..Hα-helixtrans-67-33.5175.3-68.8-56.298.300113.6G317 L318 L319 H324 V327 Q328 V377 F433 F475 L479G317-M321 VanDerWaalsContact O-CG 3.3Å; G317-M321 WeakPolarHBondContact O-CG 3.44Å; G317-M321 PolarHBondContact O-N 3.17Å; L318-M321 PolarHBondContact O-N 2.81Å; L319-M321 VanDerWaalsContact C-N 3.31Å; L319-M321 PolarHBondContact O-N 3.1Å; M321-H324 CarbonylContact O-C 3.52Å; M321-V327 HydrophobicContact CE-CB 4.39Å; M321-V327 HydrophobicContact CE-CG1 3.87Å; M321-V327 HydrophobicContact SD-CG1 4.43Å; M321-Q328 HydrophobicContact CB-CB 4.38Å; M321-Q328 HydrophobicContact CB-CG 4.22Å; M321-Q328 PolarHBondContact O-NE2 3.38Å; M321-Q328 HydrophobicContact SD-CB 4.05Å; M321-Q328 HydrophobicContact SD-CG 4.36Å; M321-V377 HydrophobicContact CE-CG1 3.69Å; M321-V377 HydrophobicContact SD-CG1 4.44Å; M321-F433 HydrophobicContact CE-CE1 4Å; M321-F433 HydrophobicContact CE-CZ 3.83Å; M321-F475 HydrophobicContact CE-CZ 4.17Å; M321-F475 HydrophobicContact CG-CE2 3.84Å; M321-F475 HydrophobicContact CG-CZ 3.67Å; M321-F475 HydrophobicContact SD-CZ 3.78Å; M321-L479 HydrophobicContact CG-CD1 4.07Å; M321-L479 HydrophobicContact CG-CD2 4.31Å; M321-L479 HydrophobicContact SD-CD1 4.08Å
322I95.8Very high89.8Confident6 Ų633.8 Ų33.83%0.03115%0.149CC..Hα-helixtrans-78.2-25.3173.765174000112.8L318 L319 L320 F484 V486 P493 Y508 L510L318-I322 PolarHBondContact O-N 2.94Å; L318-I322 VanDerWaalsContact O-N 3.08Å; L319-I322 HydrophobicContact CD1-CD1 4.17Å; L319-I322 HydrophobicContact CD1-CG1 4.32Å; L319-I322 WeakPolarHBondContact O-CG1 3.44Å; L319-I322 PolarHBondContact O-N 2.9Å; L320-I322 PolarHBondContact O-N 2.97Å; I322-F484 HydrophobicContact CG2-CB 3.57Å; I322-V486 HydrophobicContact CB-CG2 4.23Å; I322-V486 HydrophobicContact CD1-CG2 4.22Å; I322-V486 HydrophobicContact CG1-CG2 4.33Å; I322-P493 HydrophobicContact CD1-CG 4.1Å; I322-Y508 HydrophobicContact CD1-CD2 3.72Å; I322-Y508 HydrophobicContact CD1-CE2 4Å; I322-L510 HydrophobicContact CD1-CB 4.22Å; I322-L510 HydrophobicContact CG2-CB 4.04Å; I322-L510 HydrophobicContact CG2-CD2 4.38Å
323L94.6Very high87Confident16 Ų1638 Ų388%0.08418%0.175CC..Hα-helixtrans-83.8-20.7176.8-67.5178.1000113.4L319 L320 R492 P493 H495L319-L323 HydrophobicContact CD1-CD1 3.77Å; L319-L323 HydrophobicContact CD1-CG 4.05Å; L319-L323 HydrophobicContact CG-CD1 3.88Å; L319-L323 HydrophobicContact CG-CG 4.47Å; L319-L323 WeakPolarHBondContact O-CB 3.41Å; L319-L323 VanDerWaalsContact O-CG 3.25Å; L319-L323 WeakPolarHBondContact O-CG 3.2Å; L319-L323 PolarHBondContact O-N 3.29Å; L320-L323 PolarHBondContact O-N 2.83Å; L323-R492 HydrophobicContact CD2-CG 3.53Å; L323-R492 PolarHBondContact O-NH2 2.84Å; L323-P493 HydrophobicContact CD2-CB 4.48Å; L323-P493 WeakPolarHBondContact CD2-O 3.3Å; L323-H495 HydrophobicContact CD1-CB 4.32Å
324H94.3Very high83.8Confident49 Ų4941.9 Ų41.923%0.22720%0.203CC..  trans-132.166.9-177.2-61.8-86.2000110.9L320 M321 D326 V327 Q328 F433L320-H324 WeakPolarHBondContact O-CB 3.21Å; L320-H324 PolarHBondContact O-CD2 3.12Å; L320-H324 PolarHBondContact O-N 3.14Å; M321-H324 CarbonylContact O-C 3.52Å; H324-D326 PolarHBondContact O-N 3.05Å; H324-D326 VanDerWaalsContact O-N 3.17Å; H324-V327 HydrophobicContact CB-CB 4.19Å; H324-V327 HydrophobicContact CB-CG2 3.99Å; H324-V327 WeakPolarHBondContact O-CB 3.39Å; H324-V327 PolarHBondContact O-N 2.68Å; H324-Q328 PolarHBondContact O-N 2.73Å; H324-Q328 VanDerWaalsContact O-N 3.15Å; H324-F433 HydrophobicContact CB-CD1 4.29Å; H324-F433 HydrophobicContact CB-CE1 4.34Å; H324-F433 AromaticContact CD2-CD1 3.49Å; H324-F433 VanDerWaalsContact CD2-CD1 3.49Å; H324-F433 WeakPolarHBondContact CD2-CD1 3.41Å; H324-F433 AromaticContact CG-CD1 3.75Å; H324-F433 AromaticContact NE2-CD1 3.86Å
325L93.2Very high80.5Confident73 Ų7348.1 Ų48.138%0.38224%0.243SC..Hα-helixtrans-59.4-26.2-178.8-64.8178.5000113.4Q328 R329 F484L325-Q328 PolarHBondContact O-N 3.42Å; L325-R329 PolarHBondContact O-N 3.08Å; L325-F484 WeakPolarHBondContact CD2-O 3.41Å
326D90.2Very high77.7Confident62 Ų6251.6 Ų51.633%0.33228%0.279SS..Hα-helixtrans-64-38.2173.155.5-51.6000112.4H324 G330 R331H324-D326 PolarHBondContact O-N 3.05Å; H324-D326 VanDerWaalsContact O-N 3.17Å; D326-G330 WeakPolarHBondContact O-CA 3.29Å; D326-G330 PolarHBondContact O-N 2.89Å; D326-R331 HydrophobicContact CB-CG 4.45Å
327V94.4Very high74.7Confident4 Ų454.9 Ų54.92%0.02430%0.301CS..Hα-helixtrans-72.8-37.9173.5-179.90000111M321 H324 V347 V349 V377 F433 P435M321-V327 HydrophobicContact CE-CB 4.39Å; M321-V327 HydrophobicContact CE-CG1 3.87Å; M321-V327 HydrophobicContact SD-CG1 4.43Å; H324-V327 HydrophobicContact CB-CB 4.19Å; H324-V327 HydrophobicContact CB-CG2 3.99Å; H324-V327 WeakPolarHBondContact O-CB 3.39Å; H324-V327 PolarHBondContact O-N 2.68Å; V327-V347 HydrophobicContact CG1-CG1 4.06Å; V327-V349 HydrophobicContact CG1-CG2 4.43Å; V327-V349 PolarHBondContact O-N 2.87Å; V327-V377 HydrophobicContact CG1-CG1 4.45Å; V327-V377 HydrophobicContact CG1-CG2 3.56Å; V327-F433 HydrophobicContact CG1-CE1 4.26Å; V327-F433 HydrophobicContact CG2-CE1 4.28Å; V327-P435 HydrophobicContact CG1-CG 4.18Å; V327-P435 HydrophobicContact CG2-CG 4.37Å
328Q95.6Very high71.7Confident0 Ų061 Ų610%034%0.341CS..Hα-helixtrans-65.2-57178.9-168.3-166.8133.100112.1M321 H324 L325 Q350 L479 F484M321-Q328 HydrophobicContact CB-CB 4.38Å; M321-Q328 HydrophobicContact CB-CG 4.22Å; M321-Q328 PolarHBondContact O-NE2 3.38Å; M321-Q328 HydrophobicContact SD-CB 4.05Å; M321-Q328 HydrophobicContact SD-CG 4.36Å; H324-Q328 PolarHBondContact O-N 2.73Å; H324-Q328 VanDerWaalsContact O-N 3.15Å; L325-Q328 PolarHBondContact O-N 3.42Å; Q328-Q350 VanDerWaalsContact O-CB 3.26Å; Q328-Q350 WeakPolarHBondContact O-CB 3.48Å; Q328-Q350 VanDerWaalsContact O-CG 3.26Å; Q328-Q350 WeakPolarHBondContact O-CG 3.32Å; Q328-Q350 PolarHBondContact O-N 3.26Å; Q328-L479 HydrophobicContact CG-CD2 3.68Å; Q328-F484 PolarHBondContact NE2-O 2.98Å; Q328-F484 PolarHBondContact OE1-O 3.08Å
329R82.2Confident69Low98 Ų9867.7 Ų67.737%0.3738%0.375SS..Hα-helixtrans-111.3-23.1-167.4-39.7-164.5-176.3157.11.7114.2L325 Q350 F484L325-R329 PolarHBondContact O-N 3.08Å; R329-Q350 VanDerWaalsContact CG-OE1 3.22Å; R329-F484 PolarHBondContact NH2-O 3.06Å
330G67Low66.2Low17 Ų1771.5 Ų71.518%0.17540%0.398CS..  trans79.4141.9-160.600000112.6D326 R332D326-G330 WeakPolarHBondContact O-CA 3.29Å; D326-G330 PolarHBondContact O-N 2.89Å; G330-R332 PolarHBondContact O-N 3.26Å
331R53.4Low63.3Low111 Ų11174.2 Ų74.242%0.41943%0.427SS..  trans-73121.7168.5-87.2-174-174.4-145.5-11.3110D326 V333 V340D326-R331 HydrophobicContact CB-CG 4.45Å; R331-V333 HydrophobicContact CB-CG2 4.17Å; R331-V333 PolarHBondContact O-N 2.93Å; R331-V340 VanDerWaalsContact NH1-CG2 3.25Å
332R44.1Very low60.1Low245 Ų24580.9 Ų80.993%0.92547%0.467SS*.  trans-72.3109.5131.1-79.7-171.7-170-169.74105.7G330 S334G330-R332 PolarHBondContact O-N 3.26Å; R332-S334 PolarHBondContact O-N 3.32Å
333V38.8Very low57.8Low102 Ų10288.6 Ų88.662%0.61850%0.503SS*.  trans-63.2104.1168.5177.10000106.1R331R331-V333 HydrophobicContact CB-CG2 4.17Å; R331-V333 PolarHBondContact O-N 2.93Å
334S32.3Very low55.6Low89 Ų8993.4 Ų93.462%0.62253%0.533SS*.  trans-61.2127.5159.6-69.40000107.1R332 G336R332-S334 PolarHBondContact O-N 3.32Å; S334-G336 PolarHBondContact O-N 3.42Å
335P30Very low53.5Low135 Ų13592.2 Ų92.288%0.87753%0.53SS*.THydrogen-bonded Turntrans-59.1114.3174.6-15.728000108.2
336G39.1Very low52.1Low73 Ų7393.1 Ų93.175%0.75354%0.54SS*.THydrogen-bonded Turntrans126.52.3174.300000118S334 P338S334-G336 PolarHBondContact O-N 3.42Å; G336-P338 VanDerWaalsContact O-CD 3.26Å; G336-P338 WeakPolarHBondContact O-CD 3.28Å
337C34.9Very low50.9Low69 Ų6990.2 Ų90.247%0.46652%0.524SS..  trans-82114.1174.5-172.70000111.7I339C337-I339 VanDerWaalsContact C-N 3.31Å; C337-I339 PolarHBondContact O-N 2.74Å
338P34.6Very low50.5Low128 Ų12894.5 Ų94.583%0.83154%0.54SS*.  trans-80.65.6-170.1-11.428.5000116.1G336G336-P338 VanDerWaalsContact O-CD 3.26Å; G336-P338 WeakPolarHBondContact O-CD 3.28Å
339I43.4Very low50.5Low143 Ų14394.5 Ų94.573%0.73354%0.54SS*.  trans-118.322.5-158.8-33.4-177.2000114.7C337C337-I339 VanDerWaalsContact C-N 3.31Å; C337-I339 PolarHBondContact O-N 2.74Å
340V38.9Very low51.2Low80 Ų8090.2 Ų90.249%0.48552%0.524SS..  trans-133.5111.6174.3177.90000112.9R331 T342R331-V340 VanDerWaalsContact NH1-CG2 3.25Å; V340-T342 PolarHBondContact O-N 2.63Å
341G36Very low52.5Low59 Ų5993.1 Ų93.161%0.60853%0.533SS*.  trans-60.2116.9164.900000110.9H343G341-H343 PolarHBondContact O-N 3.15Å
342T29.8Very low54.5Low139 Ų13989 Ų8985%0.85352%0.519SS*.SBendtrans24.613142.852.80000123.6V340V340-T342 PolarHBondContact O-N 2.63Å
343H46.5Very low57Low168 Ų16877.4 Ų77.478%0.77848%0.475SS*.  trans-120.5102.4168-75.7-74.5000109.9G341 C345G341-H343 PolarHBondContact O-N 3.15Å; H343-C345 PolarHBondContact O-N 3.06Å
344V48.4Very low59.8Low118 Ų11874.7 Ų74.772%0.71546%0.457SS*.  trans-66.1112.5166.9179.50000106.8P346V344-P346 WeakPolarHBondContact O-CD 3.4Å
345C51.3Low62.8Low24 Ų2476 Ų7616%0.16246%0.457CS..  trans-62.6120.4169.4-1740000107.6H343 V347 E436H343-C345 PolarHBondContact O-N 3.06Å; C345-V347 PolarHBondContact O-N 2.92Å; C345-E436 PolarHBondContact SG-OE1 2.86Å
346P63.7Low66Low92 Ų9272 Ų7260%0.59743%0.43SS*.  trans-69.8-12.417928.4-33.2000112.2V344V344-P346 WeakPolarHBondContact O-CD 3.4Å
347V64.8Low68.8Low0 Ų069.4 Ų69.40%040%0.399CS..  trans-86.1118.7-171.3-173.30000110.6V327 C345 C373 V377 P435 L439V327-V347 HydrophobicContact CG1-CG1 4.06Å; C345-V347 PolarHBondContact O-N 2.92Å; V347-C373 HydrophobicContact CG1-CB 4.06Å; V347-C373 WeakPolarHBondContact CG1-SG 3.42Å; V347-V377 HydrophobicContact CG1-CG2 3.36Å; V347-P435 HydrophobicContact CB-CB 4.4Å; V347-P435 HydrophobicContact CG1-CB 3.97Å; V347-P435 HydrophobicContact CG1-CG 4.34Å; V347-P435 HydrophobicContact CG2-CB 4.05Å; V347-L439 HydrophobicContact CG2-CD1 3.32Å
348R85.5Confident71.7Confident95 Ų9567.1 Ų67.136%0.35839%0.387SS..  trans-141.497.8-179.3-59.2-179.6-174.2-176.73.5110.1Q351 E352 C373R348-Q351 HydrophobicContact CB-CB 3.81Å; R348-E352 WeakPolarHBondContact O-CB 3.49Å; R348-E352 PolarHBondContact O-N 3.42Å; R348-C373 PolarHBondContact N-SG 3.12Å
349V95.8Very high74.6Confident0 Ų065.2 Ų65.20%037%0.367CS..Hα-helixtrans-65-50.6-172.4177.60000112V327 Q351 E352 I353 T374 V377 F475 L479V327-V349 HydrophobicContact CG1-CG2 4.43Å; V327-V349 PolarHBondContact O-N 2.87Å; V349-Q351 VanDerWaalsContact C-N 3.35Å; V349-Q351 PolarHBondContact O-N 2.94Å; V349-E352 PolarHBondContact O-N 2.92Å; V349-I353 HydrophobicContact CG1-CD1 3.7Å; V349-I353 HydrophobicContact CG1-CG1 4.38Å; V349-I353 VanDerWaalsContact O-CG1 3.28Å; V349-I353 WeakPolarHBondContact O-CG1 3.37Å; V349-I353 PolarHBondContact O-N 3.32Å; V349-T374 HydrophobicContact CG1-CG2 4.02Å; V349-V377 HydrophobicContact CG2-CB 4.07Å; V349-V377 HydrophobicContact CG2-CG1 4.07Å; V349-V377 HydrophobicContact CG2-CG2 3.74Å; V349-F475 HydrophobicContact CG1-CE1 4.13Å; V349-F475 HydrophobicContact CG2-CE1 4.45Å; V349-L479 HydrophobicContact CB-CD1 4.09Å; V349-L479 HydrophobicContact CG1-CB 4.33Å; V349-L479 HydrophobicContact CG1-CD1 3.42Å; V349-L479 VanDerWaalsContact CG1-CD1 3.42Å
350Q96.8Very high77.1Confident7 Ų765 Ų653%0.03337%0.373CS..Hα-helixtrans-64.2-37.5-178.8-77.8177.7-12.600113.2Q328 R329 I353 D354 L479 F482 S483Q328-Q350 VanDerWaalsContact O-CB 3.26Å; Q328-Q350 WeakPolarHBondContact O-CB 3.48Å; Q328-Q350 VanDerWaalsContact O-CG 3.26Å; Q328-Q350 WeakPolarHBondContact O-CG 3.32Å; Q328-Q350 PolarHBondContact O-N 3.26Å; R329-Q350 VanDerWaalsContact CG-OE1 3.22Å; Q350-I353 PolarHBondContact O-N 2.91Å; Q350-D354 PolarHBondContact O-N 2.73Å; Q350-L479 HydrophobicContact CG-CB 4.4Å; Q350-L479 WeakPolarHBondContact CG-O 3.44Å; Q350-F482 PolarHBondContact NE2-O 3.33Å; Q350-S483 PolarHBondContact NE2-OG 2.99Å
351Q94.4Very high79.8Confident79 Ų7965.4 Ų65.437%0.36937%0.365SS..Hα-helixtrans-65.7-45.9176.3-176.165.959.300110.9R348 V349 I353 D354 D355R348-Q351 HydrophobicContact CB-CB 3.81Å; V349-Q351 VanDerWaalsContact C-N 3.35Å; V349-Q351 PolarHBondContact O-N 2.94Å; Q351-I353 VanDerWaalsContact C-N 3.31Å; Q351-I353 PolarHBondContact O-N 3.35Å; Q351-D354 PolarHBondContact O-N 3.49Å; Q351-D355 PolarHBondContact NE2-OD1 3.16Å; Q351-D355 PolarHBondContact NE2-OD2 2.99Å; Q351-D355 WeakPolarHBondContact O-CB 3.49Å; Q351-D355 PolarHBondContact O-N 2.78Å
352E95.6Very high82.7Confident25 Ų2568.7 Ų68.712%0.11736%0.359CS..Hα-helixtrans-64.1-36.8177.5-169.9-176.7-127.600111.8R348 V349 D355 V356 M371 P372 C373 T374R348-E352 WeakPolarHBondContact O-CB 3.49Å; R348-E352 PolarHBondContact O-N 3.42Å; V349-E352 PolarHBondContact O-N 2.92Å; E352-D355 PolarHBondContact O-N 3.08Å; E352-V356 HydrophobicContact CG-CG2 4.34Å; E352-V356 WeakPolarHBondContact O-CB 3.47Å; E352-V356 WeakPolarHBondContact O-CG2 3.29Å; E352-V356 PolarHBondContact O-N 2.89Å; E352-M371 VanDerWaalsContact CD-CA 3.48Å; E352-M371 HydrophobicContact CG-CB 4.3Å; E352-M371 HydrophobicContact CG-CE 4.46Å; E352-M371 HydrophobicContact CG-CG 4.24Å; E352-M371 VanDerWaalsContact OE1-C 3.23Å; E352-M371 WeakPolarHBondContact OE1-CA 3.27Å; E352-P372 WeakPolarHBondContact OE1-CD 3.41Å; E352-C373 VanDerWaalsContact OE1-CB 3.31Å; E352-C373 WeakPolarHBondContact OE1-CB 3.35Å; E352-C373 PolarHBondContact OE1-N 3.03Å; E352-T374 WeakPolarHBondContact OE2-CB 3.3Å; E352-T374 PolarHBondContact OE2-N 3.01Å; E352-T374 PolarHBondContact OE2-OG1 3.19Å
353I97.4Very high85.9Confident0 Ų062 Ų620%032%0.319CS..Hα-helixtrans-60.1-48.8171-71.4165.4000110.7V349 Q350 Q351 D355 V356 I357 G358 M371 T476 L479 Q480V349-I353 HydrophobicContact CG1-CD1 3.7Å; V349-I353 HydrophobicContact CG1-CG1 4.38Å; V349-I353 VanDerWaalsContact O-CG1 3.28Å; V349-I353 WeakPolarHBondContact O-CG1 3.37Å; V349-I353 PolarHBondContact O-N 3.32Å; Q350-I353 PolarHBondContact O-N 2.91Å; Q351-I353 VanDerWaalsContact C-N 3.31Å; Q351-I353 PolarHBondContact O-N 3.35Å; I353-D355 VanDerWaalsContact C-N 3.3Å; I353-D355 PolarHBondContact O-N 3.04Å; I353-V356 PolarHBondContact O-N 3.39Å; I353-I357 WeakPolarHBondContact O-CA 3.29Å; I353-I357 WeakPolarHBondContact O-CB 3.23Å; I353-I357 PolarHBondContact O-N 3.45Å; I353-G358 PolarHBondContact O-N 3.43Å; I353-M371 HydrophobicContact CB-CE 4.3Å; I353-M371 HydrophobicContact CG1-CE 3.46Å; I353-M371 VanDerWaalsContact CG1-CE 3.46Å; I353-T476 HydrophobicContact CD1-CG2 4.49Å; I353-L479 HydrophobicContact CD1-CB 3.83Å; I353-Q480 HydrophobicContact CG2-CB 3.8Å; I353-Q480 HydrophobicContact CG2-CG 3.83Å
354D96.7Very high88.3Confident45 Ų4557.1 Ų57.124%0.24130%0.296CS..Hα-helixtrans-62.5-39.1-179.4-63.6-21.7000111.5Q350 Q351 G358 Q359 R515Q350-D354 PolarHBondContact O-N 2.73Å; Q351-D354 PolarHBondContact O-N 3.49Å; D354-G358 WeakPolarHBondContact O-CA 3.13Å; D354-G358 PolarHBondContact O-N 2.68Å; D354-Q359 WeakPolarHBondContact OD1-CG 3.44Å; D354-Q359 PolarHBondContact OD1-NE2 2.79Å; D354-Q359 VanDerWaalsContact OD1-NE2 3.15Å; D354-R515 IonicContact OD1-CZ 2.91Å; D354-R515 IonicContact OD1-NH1 3.24Å; D354-R515 PolarHBondContact OD1-NH1 3.19Å; D354-R515 IonicContact OD1-NH2 3.64Å; D354-R515 PolarHBondContact OD1-NH2 3.22Å; D354-R515 IonicContact OD2-CZ 2.98Å; D354-R515 IonicContact OD2-NH2 2.7Å; D354-R515 PolarHBondContact OD2-NH2 3Å
355D95.5Very high90.5Very high117 Ų11753.4 Ų53.463%0.62627%0.271SS*.Hα-helixtrans-73.3-35.7-177.6-65.3-19.7000112.9Q351 E352 I353Q351-D355 PolarHBondContact NE2-OD1 3.16Å; Q351-D355 PolarHBondContact NE2-OD2 2.99Å; Q351-D355 WeakPolarHBondContact O-CB 3.49Å; Q351-D355 PolarHBondContact O-N 2.78Å; E352-D355 PolarHBondContact O-N 3.08Å; I353-D355 VanDerWaalsContact C-N 3.3Å; I353-D355 PolarHBondContact O-N 3.04Å
356V97.2Very high92.6Very high52 Ų5254.7 Ų54.732%0.31529%0.289SS..Hα-helixtrans-97.5-39.7-174.41780000112.8E352 I353 H370 M371E352-V356 HydrophobicContact CG-CG2 4.34Å; E352-V356 WeakPolarHBondContact O-CB 3.47Å; E352-V356 WeakPolarHBondContact O-CG2 3.29Å; E352-V356 PolarHBondContact O-N 2.89Å; I353-V356 PolarHBondContact O-N 3.39Å; V356-H370 HydrophobicContact CG1-CB 3.97Å; V356-M371 HydrophobicContact CB-CG 4.08Å; V356-M371 HydrophobicContact CG1-CG 3.91Å; V356-M371 HydrophobicContact CG1-SD 4.37Å; V356-M371 HydrophobicContact CG2-CG 4.08Å
357I97.7Very high94.1Very high17 Ų1751.1 Ų51.19%0.08727%0.265CS..THydrogen-bonded Turntrans-111-38.1-172.9-54.3176.2000110.9I353 R361 P363 D367 M371I353-I357 WeakPolarHBondContact O-CA 3.29Å; I353-I357 WeakPolarHBondContact O-CB 3.23Å; I353-I357 PolarHBondContact O-N 3.45Å; I357-R361 VanDerWaalsContact CG2-O 3.31Å; I357-R361 WeakPolarHBondContact CG2-O 3.47Å; I357-P363 HydrophobicContact CD1-CB 3.91Å; I357-P363 HydrophobicContact CD1-CG 4.16Å; I357-D367 HydrophobicContact CD1-CB 3.98Å; I357-D367 HydrophobicContact CG1-CB 4.07Å; I357-M371 HydrophobicContact CD1-CE 4.17Å; I357-M371 HydrophobicContact CD1-SD 3.64Å; I357-M371 HydrophobicContact CG1-SD 4.14Å
358G96.4Very high95.7Very high22 Ų2253.3 Ų53.323%0.22728%0.275CS..THydrogen-bonded Turntrans80.8-167.9-166.300000112.1I353 D354 Q480I353-G358 PolarHBondContact O-N 3.43Å; D354-G358 WeakPolarHBondContact O-CA 3.13Å; D354-G358 PolarHBondContact O-N 2.68Å; G358-Q480 PolarHBondContact O-NE2 2.93Å
359Q95.1Very high96.1Very high87 Ų8753 Ų5341%0.40729%0.293SS..THydrogen-bonded Turntrans-105.84.5-177.8-66.1-176.5-0.600114.1D354D354-Q359 WeakPolarHBondContact OD1-CG 3.44Å; D354-Q359 PolarHBondContact OD1-NE2 2.79Å; D354-Q359 VanDerWaalsContact OD1-NE2 3.15Å
360V95.6Very high96.2Very high140 Ų14059.1 Ų59.185%0.84832%0.321SS*.THydrogen-bonded Turntrans-112.1-53.3-173.8-177.40000112.2
361R96.3Very high96.2Very high88 Ų8858.8 Ų58.833%0.33232%0.319SS..SBendtrans-70.1137.5179.8-174.7-179.663.389.7-1.6109.3I357 E364 D367 Q480I357-R361 VanDerWaalsContact CG2-O 3.31Å; I357-R361 WeakPolarHBondContact CG2-O 3.47Å; R361-E364 IonicContact NH1-OE1 3.65Å; R361-E364 PolarHBondContact NH1-OE1 3.29Å; R361-D367 IonicContact CZ-OD1 2.73Å; R361-D367 IonicContact CZ-OD2 2.66Å; R361-D367 IonicContact NH1-OD1 2.77Å; R361-D367 IonicContact NH1-OD2 3.1Å; R361-D367 PolarHBondContact NH1-OD2 3.48Å; R361-D367 IonicContact NH2-OD1 3.03Å; R361-D367 PolarHBondContact NH2-OD1 3.23Å; R361-D367 IonicContact NH2-OD2 3.19Å; R361-D367 PolarHBondContact NH2-OD2 3.34Å; R361-Q480 PolarHBondContact O-NE2 3.4Å
362R97Very high96.3Very high127 Ų12756.8 Ų56.848%0.47931%0.313SS..PPolyproline II helixtrans-65.8143.2173.2-63.1-174-176.8175.6-1.6110.4T154T154-R362 HydrophobicContact CG2-CB 3.83Å; T154-R362 HydrophobicContact CG2-CG 4.33Å
363P97.1Very high96.3Very high0 Ų056.3 Ų56.30%031%0.312CS..PPolyproline II helixtrans-58.9142.1174.3-24.335.9000112I357 L473 T476I357-P363 HydrophobicContact CD1-CB 3.91Å; I357-P363 HydrophobicContact CD1-CG 4.16Å; P363-L473 HydrophobicContact CB-CD2 4.3Å; P363-L473 WeakPolarHBondContact O-CD2 3.45Å; P363-T476 VanDerWaalsContact CB-OG1 3.26Å; P363-T476 WeakPolarHBondContact CB-OG1 3.25Å; P363-T476 WeakPolarHBondContact CG-OG1 3.33Å
364E95.9Very high96.3Very high65 Ų6556.3 Ų56.330%0.30431%0.312SS..  trans-123.3155.2174.8-72.2177.6-121.900109.8K147 E150 R361 G366 D367 F472K147-E364 IonicContact NZ-OE2 3.5Å; K147-E364 PolarHBondContact NZ-OE2 2.85Å; E150-E364 WeakPolarHBondContact OE1-CA 3.14Å; R361-E364 IonicContact NH1-OE1 3.65Å; R361-E364 PolarHBondContact NH1-OE1 3.29Å; E364-G366 PolarHBondContact O-N 3.48Å; E364-G366 VanDerWaalsContact O-N 3.16Å; E364-D367 PolarHBondContact N-OD2 3.46Å; E364-D367 VanDerWaalsContact O-CB 3.23Å; E364-D367 WeakPolarHBondContact O-CB 3.39Å; E364-D367 PolarHBondContact O-N 2.97Å; E364-F472 WeakPolarHBondContact O-CE1 3.34Å
365M94.8Very high96.3Very high40 Ų4054.5 Ų54.520%0.19730%0.303CS..G310 helixtrans-62.3-26179.6-75.9-56.4-57.200113.2E150 D367 Q368 M469 F472 L473E150-M365 HydrophobicContact CG-CG 4.19Å; E150-M365 PolarHBondContact OE1-N 2.7Å; M365-D367 PolarHBondContact O-N 2.74Å; M365-Q368 VanDerWaalsContact CE-OE1 3.27Å; M365-Q368 WeakPolarHBondContact O-CB 3.48Å; M365-Q368 PolarHBondContact O-N 2.88Å; M365-M469 HydrophobicContact CE-CB 4.38Å; M365-M469 HydrophobicContact CG-CE 4.32Å; M365-M469 HydrophobicContact CG-CG 3.87Å; M365-M469 VanDerWaalsContact SD-CA 3.6Å; M365-M469 HydrophobicContact SD-CB 3.94Å; M365-M469 HydrophobicContact SD-CG 3.72Å; M365-F472 HydrophobicContact SD-CB 4.21Å; M365-F472 HydrophobicContact SD-CD1 3.83Å; M365-F472 HydrophobicContact SD-CG 4.38Å; M365-L473 HydrophobicContact CG-CD1 4.18Å; M365-L473 HydrophobicContact CG-CD2 4.35Å; M365-L473 HydrophobicContact CG-CG 4.36Å; M365-L473 HydrophobicContact SD-CD1 4.18Å; M365-L473 HydrophobicContact SD-CD2 4.13Å; M365-L473 HydrophobicContact SD-CG 3.86Å
366G94.4Very high96.4Very high51 Ų5149 Ų4953%0.52627%0.273SS..G310 helixtrans-63.1-23.5173.200000113.6E364 Q368 H370E364-G366 PolarHBondContact O-N 3.48Å; E364-G366 VanDerWaalsContact O-N 3.16Å; G366-Q368 VanDerWaalsContact C-N 3.31Å; G366-Q368 PolarHBondContact O-N 2.96Å; G366-H370 PolarHBondContact O-ND1 2.98Å
367D97.1Very high96.5Very high17 Ų1746.5 Ų46.59%0.09126%0.258CS..G310 helixtrans-71.2-29.3179.5-58.3-37.5000111.5I357 R361 E364 M365 A369 H370 M371 F472I357-D367 HydrophobicContact CD1-CB 3.98Å; I357-D367 HydrophobicContact CG1-CB 4.07Å; R361-D367 IonicContact CZ-OD1 2.73Å; R361-D367 IonicContact CZ-OD2 2.66Å; R361-D367 IonicContact NH1-OD1 2.77Å; R361-D367 IonicContact NH1-OD2 3.1Å; R361-D367 PolarHBondContact NH1-OD2 3.48Å; R361-D367 IonicContact NH2-OD1 3.03Å; R361-D367 PolarHBondContact NH2-OD1 3.23Å; R361-D367 IonicContact NH2-OD2 3.19Å; R361-D367 PolarHBondContact NH2-OD2 3.34Å; E364-D367 PolarHBondContact N-OD2 3.46Å; E364-D367 VanDerWaalsContact O-CB 3.23Å; E364-D367 WeakPolarHBondContact O-CB 3.39Å; E364-D367 PolarHBondContact O-N 2.97Å; M365-D367 PolarHBondContact O-N 2.74Å; D367-A369 PolarHBondContact O-N 2.92Å; D367-A369 VanDerWaalsContact O-N 3.12Å; D367-H370 WeakPolarHBondContact O-CA 3.41Å; D367-H370 PolarHBondContact O-N 3.25Å; D367-M371 HydrophobicContact CB-SD 4.06Å; D367-M371 WeakPolarHBondContact O-CG 3.46Å; D367-M371 PolarHBondContact O-N 3.23Å; D367-F472 HydrophobicContact CB-CE1 4.39Å; D367-F472 HydrophobicContact CB-CZ 4.24Å
368Q96.5Very high96.5Very high45 Ų4546.2 Ų46.221%0.2126%0.257CS..G310 helixtrans-55.1-36.7-177.3-173.3174.832.900113M365 G366 H370 M371 T375 F472M365-Q368 VanDerWaalsContact CE-OE1 3.27Å; M365-Q368 WeakPolarHBondContact O-CB 3.48Å; M365-Q368 PolarHBondContact O-N 2.88Å; G366-Q368 VanDerWaalsContact C-N 3.31Å; G366-Q368 PolarHBondContact O-N 2.96Å; Q368-H370 PolarHBondContact O-N 3.46Å; Q368-M371 PolarHBondContact O-N 2.8Å; Q368-T375 WeakPolarHBondContact CG-OG1 3.23Å; Q368-T375 PolarHBondContact O-OG1 3.21Å; Q368-F472 HydrophobicContact CB-CD1 4.22Å; Q368-F472 HydrophobicContact CB-CD2 3.95Å; Q368-F472 HydrophobicContact CB-CE1 3.94Å; Q368-F472 HydrophobicContact CB-CE2 3.64Å; Q368-F472 HydrophobicContact CB-CG 4.23Å; Q368-F472 HydrophobicContact CB-CZ 3.64Å; Q368-F472 HydrophobicContact CG-CD2 3.76Å; Q368-F472 HydrophobicContact CG-CE2 3.76Å; Q368-F472 HydrophobicContact CG-CG 4.29Å; Q368-F472 HydrophobicContact CG-CZ 4.29Å
369A95.6Very high96.6Very high89 Ų8945.6 Ų45.674%0.73625%0.248SC*.G310 helixtrans-63.9-20.7178.900000113.3D367D367-A369 PolarHBondContact O-N 2.92Å; D367-A369 VanDerWaalsContact O-N 3.12Å
370H96.9Very high96.8Very high129 Ų12941.4 Ų41.460%0.59723%0.229SC*.G310 helixtrans-108.15.1-178.4-49.799.3000112.5V356 G366 D367 Q368 P372V356-H370 HydrophobicContact CG1-CB 3.97Å; G366-H370 PolarHBondContact O-ND1 2.98Å; D367-H370 WeakPolarHBondContact O-CA 3.41Å; D367-H370 PolarHBondContact O-N 3.25Å; Q368-H370 PolarHBondContact O-N 3.46Å; H370-P372 VanDerWaalsContact C-CD 3.4Å; H370-P372 WeakPolarHBondContact O-CD 3.46Å
371M97.4Very high96.9Very high0 Ų035 Ų350%019%0.19CC..  trans-123.164.8-177.1-63.4178.774.500111.6E352 I353 V356 I357 D367 Q368 C373 T374 T375 F472 T476E352-M371 VanDerWaalsContact CD-CA 3.48Å; E352-M371 HydrophobicContact CG-CB 4.3Å; E352-M371 HydrophobicContact CG-CE 4.46Å; E352-M371 HydrophobicContact CG-CG 4.24Å; E352-M371 VanDerWaalsContact OE1-C 3.23Å; E352-M371 WeakPolarHBondContact OE1-CA 3.27Å; I353-M371 HydrophobicContact CB-CE 4.3Å; I353-M371 HydrophobicContact CG1-CE 3.46Å; I353-M371 VanDerWaalsContact CG1-CE 3.46Å; V356-M371 HydrophobicContact CB-CG 4.08Å; V356-M371 HydrophobicContact CG1-CG 3.91Å; V356-M371 HydrophobicContact CG1-SD 4.37Å; V356-M371 HydrophobicContact CG2-CG 4.08Å; I357-M371 HydrophobicContact CD1-CE 4.17Å; I357-M371 HydrophobicContact CD1-SD 3.64Å; I357-M371 HydrophobicContact CG1-SD 4.14Å; D367-M371 HydrophobicContact CB-SD 4.06Å; D367-M371 WeakPolarHBondContact O-CG 3.46Å; D367-M371 PolarHBondContact O-N 3.23Å; Q368-M371 PolarHBondContact O-N 2.8Å; M371-C373 VanDerWaalsContact C-N 3.3Å; M371-C373 PolarHBondContact O-N 3.24Å; M371-T374 HydrophobicContact CE-CG2 4.21Å; M371-T374 WeakPolarHBondContact CE-OG1 3.3Å; M371-T375 VanDerWaalsContact O-CB 3.31Å; M371-T375 WeakPolarHBondContact O-CB 3.25Å; M371-T375 PolarHBondContact O-N 3.4Å; M371-T375 PolarHBondContact O-OG1 2.99Å; M371-F472 HydrophobicContact SD-CE2 4.18Å; M371-F472 HydrophobicContact SD-CZ 3.73Å; M371-T476 HydrophobicContact CE-CG2 4.08Å
372P96.1Very high97.1Very high37 Ų3731.4 Ų31.424%0.2418%0.177CC..Hα-helixtrans-61.1-35.8-177.425.4-35.3000113.1E352 H370 A376 L439 F445E352-P372 WeakPolarHBondContact OE1-CD 3.41Å; H370-P372 VanDerWaalsContact C-CD 3.4Å; H370-P372 WeakPolarHBondContact O-CD 3.46Å; P372-A376 VanDerWaalsContact O-CB 3.3Å; P372-A376 WeakPolarHBondContact O-CB 3.47Å; P372-A376 PolarHBondContact O-N 3.04Å; P372-L439 HydrophobicContact CB-CD2 4.46Å; P372-F445 HydrophobicContact CB-CB 3.96Å
373C94.9Very high97.1Very high14 Ų1425.4 Ų25.410%0.09515%0.154CC..Hα-helixtrans-70.8-45.5-177.4134.80000111.1V347 R348 E352 M371 T375 A376 V377V347-C373 HydrophobicContact CG1-CB 4.06Å; V347-C373 WeakPolarHBondContact CG1-SG 3.42Å; R348-C373 PolarHBondContact N-SG 3.12Å; E352-C373 VanDerWaalsContact OE1-CB 3.31Å; E352-C373 WeakPolarHBondContact OE1-CB 3.35Å; E352-C373 PolarHBondContact OE1-N 3.03Å; M371-C373 VanDerWaalsContact C-N 3.3Å; M371-C373 PolarHBondContact O-N 3.24Å; C373-T375 VanDerWaalsContact C-N 3.32Å; C373-T375 PolarHBondContact O-N 2.94Å; C373-A376 WeakPolarHBondContact O-CB 3.25Å; C373-A376 PolarHBondContact O-N 3.48Å; C373-V377 WeakPolarHBondContact O-CG2 3.31Å; C373-V377 PolarHBondContact O-N 3.41Å
374T97.5Very high97.2Very high0 Ų025.8 Ų25.80%016%0.156CC..Hα-helixtrans-65.5-39.4176.3-59.60000110.8V349 E352 M371 A376 V377 I378 F472 F475 T476V349-T374 HydrophobicContact CG1-CG2 4.02Å; E352-T374 WeakPolarHBondContact OE2-CB 3.3Å; E352-T374 PolarHBondContact OE2-N 3.01Å; E352-T374 PolarHBondContact OE2-OG1 3.19Å; M371-T374 HydrophobicContact CE-CG2 4.21Å; M371-T374 WeakPolarHBondContact CE-OG1 3.3Å; T374-A376 VanDerWaalsContact C-N 3.35Å; T374-A376 PolarHBondContact O-N 2.88Å; T374-V377 PolarHBondContact O-N 3.32Å; T374-I378 HydrophobicContact CG2-CD1 4.05Å; T374-I378 WeakPolarHBondContact O-CG1 3.42Å; T374-I378 PolarHBondContact O-N 2.98Å; T374-F472 HydrophobicContact CG2-CE2 4.48Å; T374-F475 HydrophobicContact CG2-CD1 4.32Å; T374-T476 HydrophobicContact CG2-CG2 3.75Å
375T97.9Very high97.2Very high8 Ų822.7 Ų22.75%0.04914%0.141CC..Hα-helixtrans-61.6-44174.1-59.50000111.2Q368 M371 C373 I378 H379 F445Q368-T375 WeakPolarHBondContact CG-OG1 3.23Å; Q368-T375 PolarHBondContact O-OG1 3.21Å; M371-T375 VanDerWaalsContact O-CB 3.31Å; M371-T375 WeakPolarHBondContact O-CB 3.25Å; M371-T375 PolarHBondContact O-N 3.4Å; M371-T375 PolarHBondContact O-OG1 2.99Å; C373-T375 VanDerWaalsContact C-N 3.32Å; C373-T375 PolarHBondContact O-N 2.94Å; T375-I378 PolarHBondContact O-N 3.31Å; T375-H379 PolarHBondContact O-N 3.26Å; T375-H379 VanDerWaalsContact O-N 3.08Å; T375-H379 PolarHBondContact O-ND1 3.12Å; T375-F445 HydrophobicContact CG2-CD1 4.07Å; T375-F445 HydrophobicContact CG2-CD2 3.68Å; T375-F445 HydrophobicContact CG2-CE1 4.07Å; T375-F445 HydrophobicContact CG2-CE2 3.69Å; T375-F445 HydrophobicContact CG2-CG 3.88Å; T375-F445 HydrophobicContact CG2-CZ 3.89Å
376A97.9Very high97.3Very high0 Ų020.9 Ų20.90%013%0.133CC..Hα-helixtrans-61.6-42.8174.700000112.4P372 C373 T374 H379 E380 F438 L439 F445P372-A376 VanDerWaalsContact O-CB 3.3Å; P372-A376 WeakPolarHBondContact O-CB 3.47Å; P372-A376 PolarHBondContact O-N 3.04Å; C373-A376 WeakPolarHBondContact O-CB 3.25Å; C373-A376 PolarHBondContact O-N 3.48Å; T374-A376 VanDerWaalsContact C-N 3.35Å; T374-A376 PolarHBondContact O-N 2.88Å; A376-H379 PolarHBondContact O-N 3.15Å; A376-E380 WeakPolarHBondContact O-CB 3.5Å; A376-E380 PolarHBondContact O-N 3.45Å; A376-F438 HydrophobicContact CB-CB 3.72Å; A376-L439 HydrophobicContact CB-CD1 4.11Å; A376-L439 HydrophobicContact CB-CD2 3.74Å; A376-L439 HydrophobicContact CB-CG 3.66Å; A376-F445 HydrophobicContact CB-CD2 4.24Å
377V98.2Very high97.4Very high0 Ų019.5 Ų19.50%011%0.113CC..Hα-helixtrans-60.5-47.6176.1167.70000111.5M321 V327 V347 V349 C373 T374 H379 E380 V381 F433 P435 F475M321-V377 HydrophobicContact CE-CG1 3.69Å; M321-V377 HydrophobicContact SD-CG1 4.44Å; V327-V377 HydrophobicContact CG1-CG1 4.45Å; V327-V377 HydrophobicContact CG1-CG2 3.56Å; V347-V377 HydrophobicContact CG1-CG2 3.36Å; V349-V377 HydrophobicContact CG2-CB 4.07Å; V349-V377 HydrophobicContact CG2-CG1 4.07Å; V349-V377 HydrophobicContact CG2-CG2 3.74Å; C373-V377 WeakPolarHBondContact O-CG2 3.31Å; C373-V377 PolarHBondContact O-N 3.41Å; T374-V377 PolarHBondContact O-N 3.32Å; V377-H379 VanDerWaalsContact C-N 3.32Å; V377-H379 PolarHBondContact O-N 3.44Å; V377-E380 CarbonylContact O-C 3.55Å; V377-E380 PolarHBondContact O-N 3.4Å; V377-V381 HydrophobicContact CG1-CG2 4.41Å; V377-V381 VanDerWaalsContact O-CG2 3.29Å; V377-V381 WeakPolarHBondContact O-CG2 3.42Å; V377-V381 PolarHBondContact O-N 3.21Å; V377-F433 HydrophobicContact CG1-CZ 4.25Å; V377-P435 HydrophobicContact CG2-CB 3.98Å; V377-P435 HydrophobicContact CG2-CG 3.93Å; V377-F475 HydrophobicContact CG1-CE1 3.8Å; V377-F475 HydrophobicContact CG1-CZ 3.73Å
378I98.6Very high97.3Very high12 Ų1220 Ų206%0.06212%0.116CC..Hα-helixtrans-62.1-41.7179.2-69163.6000111T374 T375 E380 V381 Q382 L471 F472 F475T374-I378 HydrophobicContact CG2-CD1 4.05Å; T374-I378 WeakPolarHBondContact O-CG1 3.42Å; T374-I378 PolarHBondContact O-N 2.98Å; T375-I378 PolarHBondContact O-N 3.31Å; I378-E380 VanDerWaalsContact C-N 3.35Å; I378-V381 WeakPolarHBondContact O-CB 3.23Å; I378-V381 PolarHBondContact O-N 3.38Å; I378-Q382 PolarHBondContact O-N 3.44Å; I378-Q382 VanDerWaalsContact O-N 3.14Å; I378-L471 HydrophobicContact CG2-CB 3.92Å; I378-L471 HydrophobicContact CG2-CD1 4.32Å; I378-F472 HydrophobicContact CD1-CB 4.31Å; I378-F472 HydrophobicContact CD1-CD2 3.92Å; I378-F475 HydrophobicContact CD1-CB 4.35Å; I378-F475 HydrophobicContact CD1-CD1 4.02Å; I378-F475 HydrophobicContact CD1-CG 4.49Å; I378-F475 HydrophobicContact CG1-CB 4.42Å; I378-F475 HydrophobicContact CG1-CD1 3.72Å; I378-F475 HydrophobicContact CG1-CE1 4.16Å; I378-F475 HydrophobicContact CG1-CG 4.16Å
379H98.7Very high97.3Very high8 Ų818 Ų184%0.03711%0.108CC..Hα-helixtrans-64.6-40.3176-76.171.2000111.6T375 A376 V377 V381 Q382 H383 F438 F445 F451T375-H379 PolarHBondContact O-N 3.26Å; T375-H379 VanDerWaalsContact O-N 3.08Å; T375-H379 PolarHBondContact O-ND1 3.12Å; A376-H379 PolarHBondContact O-N 3.15Å; V377-H379 VanDerWaalsContact C-N 3.32Å; V377-H379 PolarHBondContact O-N 3.44Å; H379-V381 VanDerWaalsContact C-N 3.35Å; H379-Q382 PolarHBondContact O-N 2.93Å; H379-H383 WeakPolarHBondContact O-CB 3.24Å; H379-H383 PolarHBondContact O-N 3.32Å; H379-F438 HydrophobicContact CB-CD1 3.64Å; H379-F438 HydrophobicContact CB-CD2 3.84Å; H379-F438 HydrophobicContact CB-CE1 3.68Å; H379-F438 HydrophobicContact CB-CE2 3.89Å; H379-F438 HydrophobicContact CB-CG 3.73Å; H379-F438 HydrophobicContact CB-CZ 3.81Å; H379-F445 HydrophobicContact CB-CE2 4.27Å; H379-F445 AromaticContact CD2-CZ 3.67Å; H379-F445 AromaticContact CE1-CE2 3.87Å; H379-F445 AromaticContact CE1-CZ 3.46Å; H379-F445 VanDerWaalsContact CE1-CZ 3.46Å; H379-F445 WeakPolarHBondContact CE1-CZ 3.47Å; H379-F445 AromaticContact CG-CE2 3.73Å; H379-F445 AromaticContact CG-CZ 3.83Å; H379-F445 AromaticContact ND1-CE2 3.61Å; H379-F445 AromaticContact ND1-CZ 3.69Å; H379-F445 AromaticContact NE2-CZ 3.47Å; H379-F445 WeakPolarHBondContact NE2-CZ 3.34Å; H379-F451 HydrophobicContact CB-CE2 4.17Å; H379-F451 HydrophobicContact CB-CZ 4.08Å; H379-F451 AromaticContact CD2-CD1 3.79Å; H379-F451 AromaticContact CD2-CE1 3.24Å; H379-F451 WeakPolarHBondContact CD2-CE1 3.33Å; H379-F451 AromaticContact CD2-CZ 3.41Å; H379-F451 VanDerWaalsContact CD2-CZ 3.41Å; H379-F451 WeakPolarHBondContact CD2-CZ 3.16Å; H379-F451 AromaticContact CG-CZ 3.96Å; H379-F451 AromaticContact NE2-CE1 3.85Å; H379-F451 VanDerWaalsContact O-CE2 3.31Å; H379-F451 WeakPolarHBondContact O-CE2 3.46Å
380E98.5Very high97.3Very high0 Ų015.5 Ų15.50%08%0.082CC..Hα-helixtrans-67.5-33.6175.7-176.164.6-174.100112.3A376 V377 I378 Q382 H383 F384 F433 H434 H437 F438A376-E380 WeakPolarHBondContact O-CB 3.5Å; A376-E380 PolarHBondContact O-N 3.45Å; V377-E380 CarbonylContact O-C 3.55Å; V377-E380 PolarHBondContact O-N 3.4Å; I378-E380 VanDerWaalsContact C-N 3.35Å; E380-Q382 VanDerWaalsContact C-N 3.35Å; E380-Q382 PolarHBondContact O-N 2.93Å; E380-H383 PolarHBondContact O-N 2.96Å; E380-H383 IonicContact OE2-CG 3.08Å; E380-H383 IonicContact OE2-ND1 3.72Å; E380-F384 WeakPolarHBondContact O-CB 3.42Å; E380-F384 PolarHBondContact O-N 3.29Å; E380-F433 HydrophobicContact CB-CD2 4.4Å; E380-F433 HydrophobicContact CB-CE2 3.95Å; E380-F433 HydrophobicContact CG-CD2 3.46Å; E380-F433 VanDerWaalsContact CG-CD2 3.46Å; E380-F433 HydrophobicContact CG-CE2 3.49Å; E380-F433 VanDerWaalsContact CG-CE2 3.49Å; E380-F433 HydrophobicContact CG-CG 4.3Å; E380-F433 HydrophobicContact CG-CZ 4.35Å; E380-H434 PolarHBondContact OE1-N 2.9Å; E380-H437 IonicContact OE1-CE1 2.69Å; E380-H437 IonicContact OE1-ND1 3.8Å; E380-H437 PolarHBondContact OE1-ND1 3.17Å; E380-H437 IonicContact OE2-CG 3.77Å; E380-H437 IonicContact OE2-ND1 2.97Å; E380-H437 PolarHBondContact OE2-ND1 3.39Å; E380-F438 HydrophobicContact CB-CD2 4.08Å; E380-F438 HydrophobicContact CB-CE2 4.13Å; E380-F438 WeakPolarHBondContact OE2-CE2 3.23Å
381V98.5Very high97.2Very high6 Ų69.8 Ų9.84%0.0366%0.057CC..Hα-helixtrans-60.3-46171.8168.10000110.5T313 W316 L320 V377 I378 H379 G385 F433T313-V381 HydrophobicContact CG2-CG1 4.11Å; T313-V381 WeakPolarHBondContact O-CG1 3.37Å; W316-V381 HydrophobicContact CB-CG1 4.04Å; L320-V381 HydrophobicContact CD1-CB 4.31Å; L320-V381 HydrophobicContact CD1-CG1 4.36Å; L320-V381 HydrophobicContact CD1-CG2 3.91Å; V377-V381 HydrophobicContact CG1-CG2 4.41Å; V377-V381 VanDerWaalsContact O-CG2 3.29Å; V377-V381 WeakPolarHBondContact O-CG2 3.42Å; V377-V381 PolarHBondContact O-N 3.21Å; I378-V381 WeakPolarHBondContact O-CB 3.23Å; I378-V381 PolarHBondContact O-N 3.38Å; H379-V381 VanDerWaalsContact C-N 3.35Å; V381-G385 WeakPolarHBondContact O-CA 3.48Å; V381-G385 PolarHBondContact O-N 2.77Å; V381-F433 HydrophobicContact CG2-CE2 3.98Å; V381-F433 HydrophobicContact CG2-CZ 4.36Å
382Q98.8Very high97Very high12 Ų1211.8 Ų11.86%0.0567%0.069CC..Hα-helixtrans-65.4-44.5177.2-66.5-166.9-89.200112.1T313 I378 H379 E380 D386 F451 L471T313-Q382 HydrophobicContact CG2-CG 3.74Å; I378-Q382 PolarHBondContact O-N 3.44Å; I378-Q382 VanDerWaalsContact O-N 3.14Å; H379-Q382 PolarHBondContact O-N 2.93Å; E380-Q382 VanDerWaalsContact C-N 3.35Å; E380-Q382 PolarHBondContact O-N 2.93Å; Q382-D386 PolarHBondContact O-N 3.17Å; Q382-D386 VanDerWaalsContact O-N 3.09Å; Q382-F451 HydrophobicContact CB-CE2 4.03Å; Q382-F451 HydrophobicContact CB-CZ 3.98Å; Q382-L471 HydrophobicContact CG-CD1 3.98Å
383H98.5Very high97Very high0 Ų012.7 Ų12.70%07%0.074CC..Hα-helixtrans-61.7-53.3178.8173.3-82.6000111.6H379 E380 L421 K422 W427 H437 F438 F451H379-H383 WeakPolarHBondContact O-CB 3.24Å; H379-H383 PolarHBondContact O-N 3.32Å; E380-H383 PolarHBondContact O-N 2.96Å; E380-H383 IonicContact OE2-CG 3.08Å; E380-H383 IonicContact OE2-ND1 3.72Å; H383-L421 PolarHBondContact CD2-O 3.11Å; H383-L421 VanDerWaalsContact CD2-O 3.28Å; H383-L421 PolarHBondContact CE1-O 3.39Å; H383-L421 PolarHBondContact NE2-O 3.41Å; H383-K422 WeakPolarHBondContact O-CE 3.2Å; H383-K422 PolarHBondContact O-NZ 2.99Å; H383-W427 AromaticContact CD2-CD2 3.78Å; H383-W427 AromaticContact CD2-CE2 3.53Å; H383-W427 AromaticContact CD2-CE3 3.85Å; H383-W427 AromaticContact CD2-CH2 3.47Å; H383-W427 VanDerWaalsContact CD2-CH2 3.47Å; H383-W427 WeakPolarHBondContact CD2-CH2 3.49Å; H383-W427 AromaticContact CD2-CZ2 3.37Å; H383-W427 WeakPolarHBondContact CD2-CZ2 3.45Å; H383-W427 AromaticContact CD2-CZ3 3.7Å; H383-W427 AromaticContact CE1-CD2 3.92Å; H383-W427 AromaticContact NE2-CD1 3.71Å; H383-W427 AromaticContact NE2-CD2 2.99Å; H383-W427 AromaticContact NE2-CE2 3.08Å; H383-W427 AromaticContact NE2-CE3 3.3Å; H383-W427 VanDerWaalsContact NE2-CE3 3.3Å; H383-W427 AromaticContact NE2-CG 3.43Å; H383-W427 AromaticContact NE2-CH2 3.76Å; H383-W427 AromaticContact NE2-CZ2 3.48Å; H383-W427 WeakPolarHBondContact NE2-CZ2 3.49Å; H383-W427 AromaticContact NE2-CZ3 3.67Å; H383-W427 AromaticContact NE2-NE1 3.52Å; H383-H437 AromaticContact CE1-ND1 3.93Å; H383-F438 HydrophobicContact CB-CE2 4.06Å; H383-F438 HydrophobicContact CB-CZ 4.08Å; H383-F451 HydrophobicContact CB-CD2 4.46Å; H383-F451 HydrophobicContact CB-CE2 4.31Å
384F97.6Very high97.2Very high9 Ų912.3 Ų12.34%0.0397%0.071CC..Hα-helixtrans-67.5-46.3-178.4-176.5-91.8000111.8W316 L320 E380 D386 K422 F433 H495 R497W316-F384 HydrophobicContact CE3-CD1 4.39Å; W316-F384 HydrophobicContact CE3-CE1 4.47Å; W316-F384 HydrophobicContact CZ3-CD1 4.28Å; W316-F384 AromaticContact CZ3-CE1 3.96Å; W316-F384 HydrophobicContact CZ3-CE1 3.96Å; L320-F384 HydrophobicContact CD1-CD1 4.03Å; L320-F384 HydrophobicContact CD2-CD1 3.8Å; L320-F384 HydrophobicContact CD2-CE1 3.84Å; L320-F384 HydrophobicContact CG-CD1 4.49Å; E380-F384 WeakPolarHBondContact O-CB 3.42Å; E380-F384 PolarHBondContact O-N 3.29Å; F384-D386 PolarHBondContact O-N 2.83Å; F384-K422 PolarHBondContact O-NZ 2.85Å; F384-F433 HydrophobicContact CB-CD2 4.22Å; F384-F433 HydrophobicContact CD2-CB 4.17Å; F384-F433 HydrophobicContact CE2-CB 4.41Å; F384-F433 HydrophobicContact CG-CB 4.35Å; F384-F433 HydrophobicContact CG-CD2 4.44Å; F384-H495 HydrophobicContact CE1-CB 4.32Å; F384-H495 HydrophobicContact CZ-CB 4.28Å; F384-R497 PolarHBondContact O-NH2 3.38Å; F384-R497 VanDerWaalsContact O-NH2 3.15Å
385G96.8Very high97.2Very high0 Ų013.2 Ų13.20%08%0.076CC..Hα-helixtrans-62-38.5-178.400000113.1V381 I387V381-G385 WeakPolarHBondContact O-CA 3.48Å; V381-G385 PolarHBondContact O-N 2.77Å; G385-I387 VanDerWaalsContact C-N 3.31Å; G385-I387 PolarHBondContact O-N 2.96Å
386D97.2Very high97.2Very high2 Ų213 Ų131%0.0117%0.074CC..  trans50.951.6169.3-173.519.1000112.2Q382 F384 V388 P389 S418 K422 R497Q382-D386 PolarHBondContact O-N 3.17Å; Q382-D386 VanDerWaalsContact O-N 3.09Å; F384-D386 PolarHBondContact O-N 2.83Å; D386-V388 PolarHBondContact O-N 3.2Å; D386-P389 WeakPolarHBondContact O-CD 3.35Å; D386-P389 WeakPolarHBondContact OD1-CA 3.27Å; D386-S418 WeakPolarHBondContact OD2-CB 3.44Å; D386-S418 PolarHBondContact OD2-OG 2.86Å; D386-K422 VanDerWaalsContact CB-NZ 3.33Å; D386-K422 IonicContact OD2-NZ 3.34Å; D386-R497 IonicContact OD2-CZ 2.73Å; D386-R497 IonicContact OD2-NH1 2.97Å; D386-R497 PolarHBondContact OD2-NH1 2.84Å
387I96.8Very high97.2Very high22 Ų2214.4 Ų14.411%0.1138%0.084CC..SBendtrans-68.2-20.1-165.559.7147.4000113.8T309 T312 T313 G385 L502 V503T309-I387 HydrophobicContact CG2-CD1 4.31Å; T309-I387 WeakPolarHBondContact O-CD1 3.48Å; T312-I387 HydrophobicContact CG2-CB 4.42Å; T312-I387 HydrophobicContact CG2-CG2 3.81Å; T313-I387 WeakPolarHBondContact OG1-CD1 3.5Å; G385-I387 VanDerWaalsContact C-N 3.31Å; G385-I387 PolarHBondContact O-N 2.96Å; I387-L502 CarbonylContact O-C 3.59Å; I387-L502 VanDerWaalsContact O-CA 3.3Å; I387-L502 WeakPolarHBondContact O-CA 3.41Å; I387-L502 WeakPolarHBondContact O-CD2 3.21Å; I387-V503 PolarHBondContact O-N 3.24Å
388V95.6Very high97.1Very high26 Ų2622 Ų2216%0.15811%0.113CC..SBendtrans-128.567.4178.3-161.50000109.8D386 L390 G391 L502D386-V388 PolarHBondContact O-N 3.2Å; V388-L390 VanDerWaalsContact C-N 3.26Å; V388-L390 PolarHBondContact O-N 3.12Å; V388-L390 VanDerWaalsContact O-N 3.13Å; V388-G391 PolarHBondContact O-N 2.71Å; V388-L502 HydrophobicContact CG2-CD2 3.66Å
389P95.3Very high97.1Very high5 Ų524.7 Ų24.73%0.03213%0.127CC..THydrogen-bonded Turntrans-61.5-31.7-165.425.6-36.2000113.7P55 D386 N416 L417 S418 V503P55-P389 HydrophobicContact CB-CB 4.4Å; P55-P389 HydrophobicContact CG-CB 3.88Å; P55-P389 HydrophobicContact CG-CG 3.86Å; D386-P389 WeakPolarHBondContact O-CD 3.35Å; D386-P389 WeakPolarHBondContact OD1-CA 3.27Å; P389-N416 CarbonylContact O-C 3.49Å; P389-N416 PolarHBondContact O-OD1 3.2Å; P389-L417 PolarHBondContact O-N 3.12Å; P389-S418 PolarHBondContact O-N 3.45Å; P389-V503 HydrophobicContact CG-CG2 3.66Å
390L95.2Very high97Very high36 Ų3624.9 Ų24.919%0.18813%0.128CC..THydrogen-bonded Turntrans-106.211-179-58-178000113.3T54 F58 V388 I414 T415 N416T54-L390 HydrophobicContact CG2-CD1 3.5Å; F58-L390 HydrophobicContact CD2-CD1 4.41Å; F58-L390 HydrophobicContact CD2-CD2 3.65Å; F58-L390 HydrophobicContact CE2-CD1 4.1Å; F58-L390 HydrophobicContact CE2-CD2 4Å; V388-L390 VanDerWaalsContact C-N 3.26Å; V388-L390 PolarHBondContact O-N 3.12Å; V388-L390 VanDerWaalsContact O-N 3.13Å; L390-I414 HydrophobicContact CB-CG2 3.94Å; L390-I414 HydrophobicContact CD2-CG2 4.33Å; L390-T415 CarbonylContact C-O 3.6Å; L390-T415 VanDerWaalsContact O-O 3.06Å; L390-N416 HydrophobicContact CD2-CB 4.39Å
391G94.5Very high97Very high8 Ų828.2 Ų28.28%0.08214%0.144CC..  trans57.2-150.8-176.200000113.1V388 T415V388-G391 PolarHBondContact O-N 2.71Å; G391-T415 PolarHBondContact N-O 3Å
392V94.5Very high97Very high42 Ų4227.9 Ų27.926%0.25514%0.142SC..  trans-117.7133171.6-176.10000107.7R101 H394 F501R101-V392 VanDerWaalsContact CZ-CG1 3.47Å; R101-V392 PolarHBondContact NH1-O 2.77Å; V392-H394 PolarHBondContact O-CD2 2.84Å; V392-F501 HydrophobicContact CG2-CZ 4.23Å
393T95.7Very high96.9Very high57 Ų5730.7 Ų30.735%0.3516%0.155SC..  trans-58.7140.1-172.756.80000113.7R101 T412 L413 I414R101-T393 WeakPolarHBondContact CD-O 3.43Å; R101-T393 PolarHBondContact NH1-O 2.89Å; T393-T412 HydrophobicContact CG2-CG2 4.24Å; T393-L413 WeakPolarHBondContact CA-O 3.25Å; T393-I414 HydrophobicContact CG2-CG1 4.2Å
394H98.4Very high96.8Very high6 Ų632.3 Ų32.33%0.02817%0.171CC..EExtended strand (participates in β ladder)trans-111.6170.1175.6-74.8-116.5000110.2T98 D100 R101 V392 T412 L413T98-H394 PolarHBondContact O-ND1 3.27Å; D100-H394 CarbonylContact O-C 3.52Å; D100-H394 WeakPolarHBondContact O-CA 3.26Å; R101-H394 PolarHBondContact NH1-CD2 3.28Å; R101-H394 PolarHBondContact NH1-NE2 3.06Å; V392-H394 PolarHBondContact O-CD2 2.84Å; H394-T412 CarbonylContact O-C 3.5Å; H394-T412 WeakPolarHBondContact O-CA 3.42Å; H394-L413 HydrophobicContact CB-CB 4Å; H394-L413 PolarHBondContact N-O 3.47Å; H394-L413 PolarHBondContact O-N 3.11Å
395M98Very high96.8Very high19 Ų1934.7 Ų34.79%0.09418%0.182CC..EExtended strand (participates in β ladder)trans-139.1140.8173-170.8173.266.900111D100 R101 P102 T411D100-M395 HydrophobicContact CB-CB 4.38Å; D100-M395 WeakPolarHBondContact CB-O 3.17Å; D100-M395 PolarHBondContact O-N 2.84Å; D100-M395 VanDerWaalsContact OD2-CE 3.29Å; D100-M395 WeakPolarHBondContact OD2-CE 3.33Å; R101-M395 WeakPolarHBondContact O-CE 3.34Å; P102-M395 HydrophobicContact CG-CB 4.35Å; M395-T411 WeakPolarHBondContact CA-O 3.24Å
396T98.2Very high96.8Very high2 Ų239.9 Ų39.91%0.01220%0.201CC..  trans-73.9126.2175.954.20000111.4D97 R398 I400 I407 P408 K409 G410 T411 L413D97-T396 CarbonylContact O-C 3.55Å; D97-T396 VanDerWaalsContact O-CA 3.26Å; D97-T396 WeakPolarHBondContact O-CA 3.38Å; T396-R398 WeakPolarHBondContact CB-O 3.49Å; T396-I400 HydrophobicContact CG2-CD1 3.79Å; T396-I400 HydrophobicContact CG2-CG1 4.09Å; T396-I407 HydrophobicContact CG2-CG2 3.91Å; T396-P408 PolarHBondContact OG1-O 3.36Å; T396-K409 WeakPolarHBondContact OG1-CA 3.3Å; T396-G410 PolarHBondContact O-N 3.41Å; T396-G410 PolarHBondContact OG1-N 3.08Å; T396-T411 PolarHBondContact N-O 3.23Å; T396-T411 PolarHBondContact OG1-N 2.81Å; T396-T411 PolarHBondContact OG1-O 3.49Å; T396-L413 HydrophobicContact CG2-CD1 3.81Å; T396-L413 HydrophobicContact CG2-CD2 4.12Å; T396-L413 HydrophobicContact CG2-CG 4.03Å
397S97.3Very high96.8Very high30 Ų3039.8 Ų39.821%0.2120%0.201CC..SBendtrans-84.8-21.9175.7-61.50000112.7D97 D100 K409D97-S397 PolarHBondContact O-N 3.3Å; D100-S397 WeakPolarHBondContact CB-OG 3.49Å; S397-K409 VanDerWaalsContact O-CD 3.28Å; S397-K409 WeakPolarHBondContact O-CD 3.39Å; S397-K409 VanDerWaalsContact O-CE 3.29Å; S397-K409 WeakPolarHBondContact O-CE 3.43Å; S397-K409 WeakPolarHBondContact O-CG 3.49Å
398R97Very high96.8Very high161 Ų16139.1 Ų39.161%0.60820%0.198SC*.SBendtrans-142.5164.9176-66.1-174.7177158.3-4.6109.3D97 T396 I400D97-R398 HydrophobicContact CB-CB 4.38Å; D97-R398 WeakPolarHBondContact OD1-CD 3.48Å; T396-R398 WeakPolarHBondContact CB-O 3.49Å; R398-I400 PolarHBondContact O-N 3.26Å
399D97Very high96.8Very high68 Ų6844 Ų4436%0.36422%0.217SC..  trans-63.9132.1169.1-70.242.8000109.5R406 I407 K409D399-R406 IonicContact OD2-CZ 3.61Å; D399-R406 IonicContact OD2-NE 2.83Å; D399-R406 PolarHBondContact OD2-NE 3.19Å; D399-R406 VanDerWaalsContact OD2-NE 3.1Å; D399-R406 IonicContact OD2-NH2 3.02Å; D399-R406 PolarHBondContact OD2-NH2 3.02Å; D399-I407 WeakPolarHBondContact CA-O 3.35Å; D399-K409 VanDerWaalsContact OD1-CB 3.29Å; D399-K409 WeakPolarHBondContact OD1-CB 3.36Å; D399-K409 PolarHBondContact OD1-N 3.42Å
400I97.7Very high96.8Very high12 Ų1245.1 Ų45.16%0.06223%0.23CC..EExtended strand (participates in β ladder)trans-128.6169179.464.7174.4000110.5R94 D97 T98 T396 R398 V402 R406 I407R94-I400 HydrophobicContact CB-CD1 4.37Å; R94-I400 HydrophobicContact CB-CG2 4.32Å; R94-I400 HydrophobicContact CG-CB 4.39Å; D97-I400 HydrophobicContact CB-CG2 3.66Å; T98-I400 HydrophobicContact CG2-CD1 3.53Å; T396-I400 HydrophobicContact CG2-CD1 3.79Å; T396-I400 HydrophobicContact CG2-CG1 4.09Å; R398-I400 PolarHBondContact O-N 3.26Å; I400-V402 HydrophobicContact CD1-CG2 3.9Å; I400-V402 HydrophobicContact CG1-CG2 4.35Å; I400-R406 WeakPolarHBondContact O-CA 3.42Å; I400-I407 HydrophobicContact CD1-CD1 4.38Å; I400-I407 HydrophobicContact CG1-CB 3.84Å; I400-I407 HydrophobicContact CG1-CD1 4.44Å; I400-I407 PolarHBondContact N-O 3.5Å; I400-I407 PolarHBondContact O-N 2.93Å
401E97.7Very high96.9Very high69 Ų6943.4 Ų43.432%0.32222%0.221SC..EExtended strand (participates in β ladder)trans-119.2135.4168.4-162.9174.8105.900108.9R32 F405R32-E401 IonicContact CZ-OE2 3.35Å; R32-E401 VanDerWaalsContact CZ-OE2 3.26Å; R32-E401 IonicContact NH1-OE1 3.59Å; R32-E401 IonicContact NH1-OE2 3.87Å; R32-E401 PolarHBondContact NH1-OE2 3.34Å; R32-E401 IonicContact NH2-OE2 3.12Å; R32-E401 PolarHBondContact NH2-OE2 3.41Å; E401-F405 VanDerWaalsContact CA-O 3.27Å; E401-F405 WeakPolarHBondContact CA-O 3.3Å; E401-F405 WeakPolarHBondContact CG-O 3.13Å
402V98.1Very high97Very high0 Ų043.6 Ų43.60%022%0.22CC..EExtended strand (participates in β ladder)trans-137.5125.2175.3-177.50000108.4V68 L81 A86 E89 A90 I400 G404 F405 I407V68-V402 HydrophobicContact CG2-CG1 4.04Å; L81-V402 HydrophobicContact CD2-CG1 4.13Å; A86-V402 HydrophobicContact CB-CG1 4.33Å; E89-V402 HydrophobicContact CB-CG1 4.38Å; E89-V402 HydrophobicContact CG-CG1 4.44Å; A90-V402 HydrophobicContact CB-CG2 4.02Å; I400-V402 HydrophobicContact CD1-CG2 3.9Å; I400-V402 HydrophobicContact CG1-CG2 4.35Å; V402-G404 PolarHBondContact O-N 2.87Å; V402-G404 VanDerWaalsContact O-N 3.15Å; V402-F405 PolarHBondContact N-O 2.97Å; V402-F405 PolarHBondContact O-N 3.44Å; V402-I407 HydrophobicContact CB-CD1 3.99Å; V402-I407 HydrophobicContact CG2-CD1 3.76Å
403Q97.1Very high97.1Very high71 Ų7141.6 Ų41.633%0.33221%0.208SC..THydrogen-bonded Turntrans46.240.2-174-62.7-165.9-11.500113.7V68 A86 E89 F405V68-Q403 HydrophobicContact CG2-CB 4.08Å; V68-Q403 HydrophobicContact CG2-CG 4.11Å; A86-Q403 HydrophobicContact CB-CG 4.37Å; E89-Q403 PolarHBondContact OE2-N 3.17Å; Q403-F405 VanDerWaalsContact C-N 3.25Å; Q403-F405 PolarHBondContact O-N 3.48Å
404G96.3Very high97.2Very high33 Ų3339.6 Ų39.634%0.3420%0.196SC..THydrogen-bonded Turntrans80.2-7179.800000115.7V402V402-G404 PolarHBondContact O-N 2.87Å; V402-G404 VanDerWaalsContact O-N 3.15Å
405F97.8Very high97.2Very high60 Ų6039.3 Ų39.326%0.26319%0.194SC..EExtended strand (participates in β ladder)trans-90.9135.8176.1-60.4-71000111.9R32 P34 P35 V68 E401 V402 Q403R32-F405 CarbonylContact O-C 3.51Å; R32-F405 VanDerWaalsContact O-CA 3.22Å; R32-F405 WeakPolarHBondContact O-CA 3.48Å; R32-F405 WeakPolarHBondContact O-CB 3.49Å; P34-F405 HydrophobicContact CB-CB 4.41Å; P34-F405 HydrophobicContact CB-CG 4.39Å; P34-F405 HydrophobicContact CG-CB 3.79Å; P34-F405 HydrophobicContact CG-CG 4.29Å; P35-F405 VanDerWaalsContact CD-CE1 3.48Å; P35-F405 HydrophobicContact CG-CE1 4.42Å; P35-F405 HydrophobicContact CG-CZ 4.21Å; V68-F405 HydrophobicContact CB-CD2 3.92Å; V68-F405 HydrophobicContact CB-CE2 4.32Å; V68-F405 HydrophobicContact CG1-CD2 4.13Å; E401-F405 VanDerWaalsContact CA-O 3.27Å; E401-F405 WeakPolarHBondContact CA-O 3.3Å; E401-F405 WeakPolarHBondContact CG-O 3.13Å; V402-F405 PolarHBondContact N-O 2.97Å; V402-F405 PolarHBondContact O-N 3.44Å; Q403-F405 VanDerWaalsContact C-N 3.25Å; Q403-F405 PolarHBondContact O-N 3.48Å
406R97.6Very high97.2Very high108 Ų10838.6 Ų38.641%0.40819%0.191SC..EExtended strand (participates in β ladder)trans-81.1122.5174.2-176.2-175.6176.7117.8-9.2109.9R32 P34 D399 I400R32-R406 PolarHBondContact O-N 2.88Å; P34-R406 WeakPolarHBondContact CD-O 3.36Å; D399-R406 IonicContact OD2-CZ 3.61Å; D399-R406 IonicContact OD2-NE 2.83Å; D399-R406 PolarHBondContact OD2-NE 3.19Å; D399-R406 VanDerWaalsContact OD2-NE 3.1Å; D399-R406 IonicContact OD2-NH2 3.02Å; D399-R406 PolarHBondContact OD2-NH2 3.02Å; I400-R406 WeakPolarHBondContact O-CA 3.42Å
407I97.2Very high97.2Very high0 Ų038.7 Ų38.70%019%0.191CC..EExtended strand (participates in β ladder)trans-108.1111.6173.4-53.5176.2000108.2P34 V79 T396 D399 I400 V402 T411 L413P34-I407 HydrophobicContact CG-CG1 4.24Å; V79-I407 HydrophobicContact CB-CD1 4.46Å; V79-I407 HydrophobicContact CG1-CD1 3.85Å; V79-I407 HydrophobicContact CG1-CG1 4.44Å; V79-I407 HydrophobicContact CG2-CG2 4.23Å; T396-I407 HydrophobicContact CG2-CG2 3.91Å; D399-I407 WeakPolarHBondContact CA-O 3.35Å; I400-I407 HydrophobicContact CD1-CD1 4.38Å; I400-I407 HydrophobicContact CG1-CB 3.84Å; I400-I407 HydrophobicContact CG1-CD1 4.44Å; I400-I407 PolarHBondContact N-O 3.5Å; I400-I407 PolarHBondContact O-N 2.93Å; V402-I407 HydrophobicContact CB-CD1 3.99Å; V402-I407 HydrophobicContact CG2-CD1 3.76Å; I407-T411 HydrophobicContact CG2-CG2 3.75Å; I407-L413 HydrophobicContact CD1-CD2 4.15Å; I407-L413 HydrophobicContact CG2-CD2 4.09Å
408P96.3Very high97.1Very high9 Ų938 Ų386%0.05819%0.186CC..  trans-61.2161.1179.9-23.835.2000113.5Q27 A30 Y33 T396 T411Q27-P408 HydrophobicContact CB-CG 4.4Å; A30-P408 HydrophobicContact CB-CG 4.44Å; Y33-P408 HydrophobicContact CD2-CG 4.16Å; Y33-P408 HydrophobicContact CE2-CG 4.11Å; T396-P408 PolarHBondContact OG1-O 3.36Å; P408-T411 WeakPolarHBondContact O-CB 3.48Å; P408-T411 PolarHBondContact O-OG1 3.21Å
409K96.4Very high97.2Very high127 Ų12730.6 Ų30.655%0.55216%0.159SC*.THydrogen-bonded Turntrans-57.9142.5166.9175.9178.8177.8-174.50111.6Q27 T396 S397 D399 T411Q27-K409 PolarHBondContact NE2-O 3.47Å; Q27-K409 VanDerWaalsContact NE2-O 3.14Å; T396-K409 WeakPolarHBondContact OG1-CA 3.3Å; S397-K409 VanDerWaalsContact O-CD 3.28Å; S397-K409 WeakPolarHBondContact O-CD 3.39Å; S397-K409 VanDerWaalsContact O-CE 3.29Å; S397-K409 WeakPolarHBondContact O-CE 3.43Å; S397-K409 WeakPolarHBondContact O-CG 3.49Å; D399-K409 VanDerWaalsContact OD1-CB 3.29Å; D399-K409 WeakPolarHBondContact OD1-CB 3.36Å; D399-K409 PolarHBondContact OD1-N 3.42Å; K409-T411 VanDerWaalsContact C-N 3.28Å
410G94.7Very high97.2Very high29 Ų2927.4 Ų27.430%0.29914%0.142SC..THydrogen-bonded Turntrans80.76.6177.100000113.9T396T396-G410 PolarHBondContact O-N 3.41Å; T396-G410 PolarHBondContact OG1-N 3.08Å
411T96.4Very high97.3Very high0 Ų027 Ų270%014%0.14CC..PPolyproline II helixtrans-77.4132.5174.4-58.30000110.1V79 M395 T396 I407 P408 K409V79-T411 HydrophobicContact CB-CG2 4.14Å; V79-T411 HydrophobicContact CG2-CG2 3.68Å; M395-T411 WeakPolarHBondContact CA-O 3.24Å; T396-T411 PolarHBondContact N-O 3.23Å; T396-T411 PolarHBondContact OG1-N 2.81Å; T396-T411 PolarHBondContact OG1-O 3.49Å; I407-T411 HydrophobicContact CG2-CG2 3.75Å; P408-T411 WeakPolarHBondContact O-CB 3.48Å; P408-T411 PolarHBondContact O-OG1 3.21Å; K409-T411 VanDerWaalsContact C-N 3.28Å
412T96.8Very high97.2Very high12 Ų1224.3 Ų24.37%0.07413%0.127CC..EExtended strand (participates in β ladder)trans-75.2128.3173.2-63.70000109.4T76 P77 V78 V79 P102 T393 H394T76-T412 WeakPolarHBondContact CG2-OG1 3.48Å; P77-T412 WeakPolarHBondContact O-CB 3.46Å; P77-T412 PolarHBondContact O-N 2.98Å; V78-T412 CarbonylContact C-O 3.46Å; V78-T412 VanDerWaalsContact CA-O 3.27Å; V78-T412 WeakPolarHBondContact CA-O 2.96Å; V78-T412 HydrophobicContact CG2-CG2 4.39Å; V79-T412 PolarHBondContact N-O 3.42Å; P102-T412 HydrophobicContact CG-CG2 3.92Å; T393-T412 HydrophobicContact CG2-CG2 4.24Å; H394-T412 CarbonylContact O-C 3.5Å; H394-T412 WeakPolarHBondContact O-CA 3.42Å
413L98.3Very high97.2Very high0 Ų025.4 Ų25.40%013%0.133CC..EExtended strand (participates in β ladder)trans-103.5128.9176.7-57.2178.2000109.5V79 L81 M91 T98 T393 H394 T396 I407V79-L413 HydrophobicContact CB-CD2 4.04Å; V79-L413 HydrophobicContact CG1-CD2 4.42Å; V79-L413 WeakPolarHBondContact O-CA 3.36Å; L81-L413 HydrophobicContact CD1-CB 4.46Å; M91-L413 HydrophobicContact CE-CD1 3.77Å; T98-L413 HydrophobicContact CG2-CD1 3.62Å; T393-L413 WeakPolarHBondContact CA-O 3.25Å; H394-L413 HydrophobicContact CB-CB 4Å; H394-L413 PolarHBondContact N-O 3.47Å; H394-L413 PolarHBondContact O-N 3.11Å; T396-L413 HydrophobicContact CG2-CD1 3.81Å; T396-L413 HydrophobicContact CG2-CD2 4.12Å; T396-L413 HydrophobicContact CG2-CG 4.03Å; I407-L413 HydrophobicContact CD1-CD2 4.15Å; I407-L413 HydrophobicContact CG2-CD2 4.09Å
414I97.8Very high97.1Very high16 Ų1628.1 Ų28.18%0.08215%0.146CC..EExtended strand (participates in β ladder)trans-106120.6168.4-60.7177.3000108.2F58 V78 V79 V80 L81 L390 T393 N416F58-I414 HydrophobicContact CE2-CD1 4.03Å; F58-I414 HydrophobicContact CE2-CG2 4.11Å; F58-I414 HydrophobicContact CZ-CD1 4.14Å; V78-I414 HydrophobicContact CG1-CD1 3.55Å; V78-I414 HydrophobicContact CG1-CG1 3.84Å; V79-I414 PolarHBondContact O-N 2.65Å; V80-I414 HydrophobicContact CG2-CB 4.34Å; V80-I414 HydrophobicContact CG2-CD1 4.46Å; L81-I414 PolarHBondContact N-O 2.65Å; L390-I414 HydrophobicContact CB-CG2 3.94Å; L390-I414 HydrophobicContact CD2-CG2 4.33Å; T393-I414 HydrophobicContact CG2-CG1 4.2Å; I414-N416 PolarHBondContact O-N 3.3Å
415T97.8Very high97.1Very high0 Ų031.1 Ų31.10%017%0.167CC..EExtended strand (participates in β ladder)trans-89.2102174.153.40000108.9M91 L390 G391 L417M91-T415 HydrophobicContact CE-CG2 4.11Å; M91-T415 HydrophobicContact CG-CG2 3.92Å; M91-T415 HydrophobicContact SD-CG2 3.75Å; L390-T415 CarbonylContact C-O 3.6Å; L390-T415 VanDerWaalsContact O-O 3.06Å; G391-T415 PolarHBondContact N-O 3Å; T415-L417 PolarHBondContact O-N 3.27Å
416N97.7Very high97Very high4 Ų431.8 Ų31.82%0.02118%0.176CC..EExtended strand (participates in β ladder)trans-74.280177.2-172-8.6000109.9V80 L81 N82 P389 L390 I414 S418 S419V80-N416 HydrophobicContact CG1-CB 4.16Å; L81-N416 WeakPolarHBondContact O-CB 3.28Å; L81-N416 PolarHBondContact O-N 3.3Å; N82-N416 WeakPolarHBondContact OD1-CB 3.33Å; N82-N416 PolarHBondContact OD1-ND2 2.8Å; P389-N416 CarbonylContact O-C 3.49Å; P389-N416 PolarHBondContact O-OD1 3.2Å; L390-N416 HydrophobicContact CD2-CB 4.39Å; I414-N416 PolarHBondContact O-N 3.3Å; N416-S418 PolarHBondContact O-N 3.08Å; N416-S418 WeakPolarHBondContact OD1-CB 3.42Å; N416-S418 PolarHBondContact OD1-N 3.46Å; N416-S419 WeakPolarHBondContact O-CB 3.27Å; N416-S419 PolarHBondContact O-N 2.97Å; N416-S419 VanDerWaalsContact O-N 3.13Å; N416-S419 PolarHBondContact O-OG 3.32Å; N416-S419 PolarHBondContact OD1-N 3.38Å; N416-S419 VanDerWaalsContact OD1-N 3.1Å
417L97.7Very high97.1Very high4 Ų427 Ų272%0.02116%0.158CC..Hα-helixtrans-61-33.8179.4-58.3-176.2000111.3P389 T415 S419 V420 L421P389-L417 PolarHBondContact O-N 3.12Å; T415-L417 PolarHBondContact O-N 3.27Å; L417-S419 VanDerWaalsContact C-N 3.27Å; L417-S419 PolarHBondContact O-N 2.91Å; L417-V420 WeakPolarHBondContact O-CA 3.37Å; L417-V420 WeakPolarHBondContact O-CB 3.43Å; L417-V420 PolarHBondContact O-N 2.94Å; L417-L421 WeakPolarHBondContact O-CG 3.47Å; L417-L421 PolarHBondContact O-N 3.19Å
418S96.8Very high97Very high14 Ų1435.6 Ų35.610%0.09820%0.195CC..Hα-helixtrans-56.3-42.5174.5-167.80000111.4D386 P389 N416 V420 L421 K422D386-S418 WeakPolarHBondContact OD2-CB 3.44Å; D386-S418 PolarHBondContact OD2-OG 2.86Å; P389-S418 PolarHBondContact O-N 3.45Å; N416-S418 PolarHBondContact O-N 3.08Å; N416-S418 WeakPolarHBondContact OD1-CB 3.42Å; N416-S418 PolarHBondContact OD1-N 3.46Å; S418-V420 PolarHBondContact O-N 3.45Å; S418-L421 CarbonylContact O-C 3.27Å; S418-L421 PolarHBondContact O-N 3.11Å; S418-K422 WeakPolarHBondContact O-CA 3.48Å; S418-K422 WeakPolarHBondContact O-CB 3.36Å; S418-K422 WeakPolarHBondContact O-CG 3.5Å; S418-K422 PolarHBondContact O-N 3.46Å
419S97.4Very high97Very high7 Ų739.3 Ų39.35%0.04921%0.211CC..Hα-helixtrans-64.9-21.4176.7760000114.2R62 N82 G83 N416 L417 D423R62-S419 PolarHBondContact NH1-O 3.29Å; N82-S419 WeakPolarHBondContact CA-OG 3.24Å; N82-S419 WeakPolarHBondContact CB-OG 3.4Å; G83-S419 PolarHBondContact N-OG 3.24Å; N416-S419 WeakPolarHBondContact O-CB 3.27Å; N416-S419 PolarHBondContact O-N 2.97Å; N416-S419 VanDerWaalsContact O-N 3.13Å; N416-S419 PolarHBondContact O-OG 3.32Å; N416-S419 PolarHBondContact OD1-N 3.38Å; N416-S419 VanDerWaalsContact OD1-N 3.1Å; L417-S419 VanDerWaalsContact C-N 3.27Å; L417-S419 PolarHBondContact O-N 2.91Å; S419-D423 WeakPolarHBondContact O-CB 3.43Å; S419-D423 PolarHBondContact O-N 3.35Å
420V98.4Very high97Very high1 Ų133.8 Ų33.81%0.00619%0.188CC..Hα-helixtrans-86.2-46.6174.6-168.90000110.4L84 V87 L417 S418 K422 W427 A450 L452L84-V420 HydrophobicContact CB-CG1 4.03Å; L84-V420 HydrophobicContact CD1-CG1 4.2Å; V87-V420 HydrophobicContact CG2-CG2 4.06Å; L417-V420 WeakPolarHBondContact O-CA 3.37Å; L417-V420 WeakPolarHBondContact O-CB 3.43Å; L417-V420 PolarHBondContact O-N 2.94Å; S418-V420 PolarHBondContact O-N 3.45Å; V420-K422 PolarHBondContact O-N 3.3Å; V420-W427 PolarHBondContact O-NE1 2.93Å; V420-A450 HydrophobicContact CG1-CB 4.03Å; V420-A450 WeakPolarHBondContact CG1-O 3.27Å; V420-L452 HydrophobicContact CG1-CD1 4.35Å
421L98.2Very high97.1Very high3 Ų337.8 Ų37.82%0.01620%0.197CC..Hα-helixtrans-71.2-14.5178-63.4176.5000112.4H383 L417 S418 F451 P453H383-L421 PolarHBondContact CD2-O 3.11Å; H383-L421 VanDerWaalsContact CD2-O 3.28Å; H383-L421 PolarHBondContact CE1-O 3.39Å; H383-L421 PolarHBondContact NE2-O 3.41Å; L417-L421 WeakPolarHBondContact O-CG 3.47Å; L417-L421 PolarHBondContact O-N 3.19Å; S418-L421 CarbonylContact O-C 3.27Å; S418-L421 PolarHBondContact O-N 3.11Å; L421-F451 HydrophobicContact CD2-CD2 4.38Å; L421-P453 HydrophobicContact CD1-CB 4.4Å
422K97.3Very high97Very high12 Ų1246.1 Ų46.15%0.05223%0.229CC..THydrogen-bonded Turntrans-126.120.6-178.7-55.7-69.5146.2590112.5H383 F384 D386 S418 V420 E424 P430 F431H383-K422 WeakPolarHBondContact O-CE 3.2Å; H383-K422 PolarHBondContact O-NZ 2.99Å; F384-K422 PolarHBondContact O-NZ 2.85Å; D386-K422 VanDerWaalsContact CB-NZ 3.33Å; D386-K422 IonicContact OD2-NZ 3.34Å; S418-K422 WeakPolarHBondContact O-CA 3.48Å; S418-K422 WeakPolarHBondContact O-CB 3.36Å; S418-K422 WeakPolarHBondContact O-CG 3.5Å; S418-K422 PolarHBondContact O-N 3.46Å; V420-K422 PolarHBondContact O-N 3.3Å; K422-E424 PolarHBondContact O-N 3.49Å; K422-P430 HydrophobicContact CB-CB 4.26Å; K422-P430 HydrophobicContact CD-CB 4.29Å; K422-P430 WeakPolarHBondContact CD-O 3.49Å; K422-P430 WeakPolarHBondContact CE-O 3.28Å; K422-P430 WeakPolarHBondContact O-CB 3.34Å; K422-F431 HydrophobicContact CB-CE1 3.91Å; K422-F431 HydrophobicContact CB-CZ 4.31Å; K422-F431 HydrophobicContact CD-CD1 4.32Å; K422-F431 HydrophobicContact CD-CE1 4.42Å; K422-F431 HydrophobicContact CG-CE1 4.35Å
423D96.9Very high97Very high24 Ų2446.4 Ų46.413%0.12823%0.229CC..  trans-66.4112.4178.4-156.4-43.6000111.5R62 S419 A425 V426 W427R62-D423 IonicContact NH2-OD2 3.23Å; R62-D423 PolarHBondContact NH2-OD2 2.91Å; S419-D423 WeakPolarHBondContact O-CB 3.43Å; S419-D423 PolarHBondContact O-N 3.35Å; D423-A425 PolarHBondContact O-N 3.44Å; D423-A425 WeakPolarHBondContact OD1-CB 3.37Å; D423-A425 PolarHBondContact OD1-N 3.38Å; D423-V426 HydrophobicContact CB-CB 4.34Å; D423-V426 HydrophobicContact CB-CG2 4.17Å; D423-V426 PolarHBondContact O-N 2.88Å; D423-W427 VanDerWaalsContact O-CD1 3.26Å; D423-W427 PolarHBondContact O-N 3.36Å
424E96.1Very high96.8Very high128 Ų12847.7 Ų47.760%0.59824%0.235SC*.THydrogen-bonded Turntrans-62.8-19.5178.8-65.8-178.1130.300113.1K422 P430 F431K422-E424 PolarHBondContact O-N 3.49Å; E424-P430 HydrophobicContact CB-CG 4.45Å; E424-P430 HydrophobicContact CG-CG 3.74Å; E424-F431 HydrophobicContact CG-CE2 4.03Å
425A95.8Very high96.8Very high95 Ų9547.1 Ų47.179%0.78523%0.232SC*.THydrogen-bonded Turntrans-79.3-19.3175.200000113.2D423D423-A425 PolarHBondContact O-N 3.44Å; D423-A425 WeakPolarHBondContact OD1-CB 3.37Å; D423-A425 PolarHBondContact OD1-N 3.38Å
426V96.4Very high96.7Very high74 Ų7449.4 Ų49.445%0.44824%0.243SC..THydrogen-bonded Turntrans-107.6-45-176.2-177.90000111.8D423 A450D423-V426 HydrophobicContact CB-CB 4.34Å; D423-V426 HydrophobicContact CB-CG2 4.17Å; D423-V426 PolarHBondContact O-N 2.88Å; V426-A450 HydrophobicContact CB-CB 4.37Å; V426-A450 HydrophobicContact CG1-CB 3.7Å; V426-A450 HydrophobicContact CG2-CB 4.48Å
427W97.9Very high96.6Very high7 Ų750 Ų503%0.02725%0.245CC..  trans-97.9131.7-173.9-52.998.4000109.9H383 V420 D423 K429 P430 H437 F438 P448 A450 F451H383-W427 AromaticContact CD2-CD2 3.78Å; H383-W427 AromaticContact CD2-CE2 3.53Å; H383-W427 AromaticContact CD2-CE3 3.85Å; H383-W427 AromaticContact CD2-CH2 3.47Å; H383-W427 VanDerWaalsContact CD2-CH2 3.47Å; H383-W427 WeakPolarHBondContact CD2-CH2 3.49Å; H383-W427 AromaticContact CD2-CZ2 3.37Å; H383-W427 WeakPolarHBondContact CD2-CZ2 3.45Å; H383-W427 AromaticContact CD2-CZ3 3.7Å; H383-W427 AromaticContact CE1-CD2 3.92Å; H383-W427 AromaticContact NE2-CD1 3.71Å; H383-W427 AromaticContact NE2-CD2 2.99Å; H383-W427 AromaticContact NE2-CE2 3.08Å; H383-W427 AromaticContact NE2-CE3 3.3Å; H383-W427 VanDerWaalsContact NE2-CE3 3.3Å; H383-W427 AromaticContact NE2-CG 3.43Å; H383-W427 AromaticContact NE2-CH2 3.76Å; H383-W427 AromaticContact NE2-CZ2 3.48Å; H383-W427 WeakPolarHBondContact NE2-CZ2 3.49Å; H383-W427 AromaticContact NE2-CZ3 3.67Å; H383-W427 AromaticContact NE2-NE1 3.52Å; V420-W427 PolarHBondContact O-NE1 2.93Å; D423-W427 VanDerWaalsContact O-CD1 3.26Å; D423-W427 PolarHBondContact O-N 3.36Å; W427-K429 VanDerWaalsContact C-N 3.29Å; W427-K429 PolarHBondContact O-N 3.04Å; W427-P430 HydrophobicContact CB-CB 4Å; W427-P430 WeakPolarHBondContact O-CD 3.49Å; W427-H437 HydrophobicContact CE3-CB 3.83Å; W427-H437 AromaticContact CE3-CG 3.76Å; W427-H437 HydrophobicContact CZ3-CB 3.89Å; W427-F438 HydrophobicContact CH2-CE1 4.04Å; W427-F438 HydrophobicContact CH2-CE2 4.47Å; W427-F438 AromaticContact CH2-CZ 3.68Å; W427-F438 HydrophobicContact CH2-CZ 3.68Å; W427-F438 HydrophobicContact CZ3-CE1 4.17Å; W427-F438 HydrophobicContact CZ3-CE2 4.06Å; W427-F438 AromaticContact CZ3-CZ 3.69Å; W427-F438 HydrophobicContact CZ3-CZ 3.69Å; W427-P448 HydrophobicContact CH2-CB 3.91Å; W427-P448 HydrophobicContact CH2-CG 3.96Å; W427-P448 HydrophobicContact CZ2-CB 4.48Å; W427-P448 HydrophobicContact CZ3-CB 4.21Å; W427-P448 HydrophobicContact CZ3-CG 3.8Å; W427-A450 HydrophobicContact CZ2-CB 3.65Å; W427-F451 HydrophobicContact CH2-CB 4.25Å
428K96.5Very high96.6Very high181 Ų18149.8 Ų49.879%0.78724%0.244SC*.SBendtrans-63.4-35.5-178.5-67.9177.9-178.1170.30112.6
429K96.6Very high96.6Very high88 Ų8850.1 Ų50.138%0.38325%0.245SC..SBendtrans-141.463.9-177.2-60.4178.5-172.4152.50110.5W427 F431 R432 H434 H437W427-K429 VanDerWaalsContact C-N 3.29Å; W427-K429 PolarHBondContact O-N 3.04Å; K429-F431 PolarHBondContact O-N 2.91Å; K429-R432 HydrophobicContact CB-CB 4.13Å; K429-R432 PolarHBondContact O-N 3.38Å; K429-R432 VanDerWaalsContact O-O 3.07Å; K429-H434 HydrophobicContact CB-CB 4.4Å; K429-H434 PolarHBondContact NZ-CE1 3.26Å; K429-H434 PolarHBondContact NZ-NE2 3.44Å; K429-H437 PolarHBondContact N-NE2 3.29Å; K429-H437 VanDerWaalsContact N-NE2 3.1Å; K429-H437 PolarHBondContact O-CE1 2.87Å; K429-H437 VanDerWaalsContact O-CE1 3.3Å
430P96.2Very high96.4Very high10 Ų1052.2 Ų52.27%0.06526%0.255CS..THydrogen-bonded Turntrans-58.5-31.2-16719.8-28.3000113.7K422 E424 W427K422-P430 HydrophobicContact CB-CB 4.26Å; K422-P430 HydrophobicContact CD-CB 4.29Å; K422-P430 WeakPolarHBondContact CD-O 3.49Å; K422-P430 WeakPolarHBondContact CE-O 3.28Å; K422-P430 WeakPolarHBondContact O-CB 3.34Å; E424-P430 HydrophobicContact CB-CG 4.45Å; E424-P430 HydrophobicContact CG-CG 3.74Å; W427-P430 HydrophobicContact CB-CB 4Å; W427-P430 WeakPolarHBondContact O-CD 3.49Å
431F95.4Very high96Very high114 Ų11456.9 Ų56.950%0.529%0.294SS..THydrogen-bonded Turntrans-97.113.3-178.3-52.2-69.6000113.9K422 E424 K429K422-F431 HydrophobicContact CB-CE1 3.91Å; K422-F431 HydrophobicContact CB-CZ 4.31Å; K422-F431 HydrophobicContact CD-CD1 4.32Å; K422-F431 HydrophobicContact CD-CE1 4.42Å; K422-F431 HydrophobicContact CG-CE1 4.35Å; E424-F431 HydrophobicContact CG-CE2 4.03Å; K429-F431 PolarHBondContact O-N 2.91Å
432R95.5Very high95.7Very high175 Ų17563.4 Ų63.466%0.6632%0.324SS*.SBendtrans-124.9142.3173.5-61.8-171.5178.71802.3109.6K429 H434K429-R432 HydrophobicContact CB-CB 4.13Å; K429-R432 PolarHBondContact O-N 3.38Å; K429-R432 VanDerWaalsContact O-O 3.07Å; R432-H434 PolarHBondContact O-N 2.99Å; R432-H434 VanDerWaalsContact O-N 3.12Å
433F96Very high95.3Very high17 Ų1764.3 Ų64.38%0.07534%0.338CS..  trans-65.5110.1168.8-177.1-110.2000109.3L320 M321 H324 V327 V377 E380 V381 F384 P435L320-F433 HydrophobicContact CB-CD2 4.32Å; L320-F433 HydrophobicContact CB-CE1 4.32Å; L320-F433 HydrophobicContact CB-CE2 4.14Å; L320-F433 HydrophobicContact CB-CZ 4.13Å; L320-F433 HydrophobicContact CD1-CD2 3.65Å; L320-F433 HydrophobicContact CD1-CE2 3.7Å; L320-F433 HydrophobicContact CD1-CG 4.43Å; L320-F433 HydrophobicContact CD1-CZ 4.49Å; L320-F433 HydrophobicContact CD2-CB 3.95Å; L320-F433 HydrophobicContact CD2-CD1 4.42Å; L320-F433 HydrophobicContact CD2-CD2 3.87Å; L320-F433 HydrophobicContact CD2-CG 3.83Å; L320-F433 HydrophobicContact CG-CD2 4.14Å; L320-F433 HydrophobicContact CG-CE2 4.32Å; L320-F433 HydrophobicContact CG-CG 4.47Å; M321-F433 HydrophobicContact CE-CE1 4Å; M321-F433 HydrophobicContact CE-CZ 3.83Å; H324-F433 HydrophobicContact CB-CD1 4.29Å; H324-F433 HydrophobicContact CB-CE1 4.34Å; H324-F433 AromaticContact CD2-CD1 3.49Å; H324-F433 VanDerWaalsContact CD2-CD1 3.49Å; H324-F433 WeakPolarHBondContact CD2-CD1 3.41Å; H324-F433 AromaticContact CG-CD1 3.75Å; H324-F433 AromaticContact NE2-CD1 3.86Å; V327-F433 HydrophobicContact CG1-CE1 4.26Å; V327-F433 HydrophobicContact CG2-CE1 4.28Å; V377-F433 HydrophobicContact CG1-CZ 4.25Å; E380-F433 HydrophobicContact CB-CD2 4.4Å; E380-F433 HydrophobicContact CB-CE2 3.95Å; E380-F433 HydrophobicContact CG-CD2 3.46Å; E380-F433 VanDerWaalsContact CG-CD2 3.46Å; E380-F433 HydrophobicContact CG-CE2 3.49Å; E380-F433 VanDerWaalsContact CG-CE2 3.49Å; E380-F433 HydrophobicContact CG-CG 4.3Å; E380-F433 HydrophobicContact CG-CZ 4.35Å; V381-F433 HydrophobicContact CG2-CE2 3.98Å; V381-F433 HydrophobicContact CG2-CZ 4.36Å; F384-F433 HydrophobicContact CB-CD2 4.22Å; F384-F433 HydrophobicContact CD2-CB 4.17Å; F384-F433 HydrophobicContact CE2-CB 4.41Å; F384-F433 HydrophobicContact CG-CB 4.35Å; F384-F433 HydrophobicContact CG-CD2 4.44Å; F433-P435 HydrophobicContact CE1-CG 3.97Å; F433-P435 HydrophobicContact CZ-CG 4.05Å
434H95.6Very high95.2Very high28 Ų2868.7 Ų68.713%0.1336%0.357CS..  trans-143.484.9-171.1-17040.5000110.7E380 K429 R432 E436 H437E380-H434 PolarHBondContact OE1-N 2.9Å; K429-H434 HydrophobicContact CB-CB 4.4Å; K429-H434 PolarHBondContact NZ-CE1 3.26Å; K429-H434 PolarHBondContact NZ-NE2 3.44Å; R432-H434 PolarHBondContact O-N 2.99Å; R432-H434 VanDerWaalsContact O-N 3.12Å; H434-E436 IonicContact CE1-OE2 3.73Å; H434-E436 PolarHBondContact CE1-OE2 2.84Å; H434-E436 IonicContact CG-OE2 3.04Å; H434-E436 IonicContact ND1-OE2 3.89Å; H434-E436 PolarHBondContact ND1-OE2 2.91Å; H434-E436 PolarHBondContact O-N 3.26Å; H434-H437 AromaticContact CD2-CD2 3.84Å; H434-H437 AromaticContact CD2-NE2 3.8Å; H434-H437 WeakPolarHBondContact O-CB 3.33Å; H434-H437 VanDerWaalsContact O-CG 3.32Å; H434-H437 PolarHBondContact O-N 3.39Å; H434-H437 PolarHBondContact O-ND1 3.42Å
435P96.4Very high95.2Very high3 Ų365.7 Ų65.72%0.01934%0.342CS..G310 helixtrans-53-26.2-177.8-29.637.3000114.7V327 V347 V377 F433 H437 F438V327-P435 HydrophobicContact CG1-CG 4.18Å; V327-P435 HydrophobicContact CG2-CG 4.37Å; V347-P435 HydrophobicContact CB-CB 4.4Å; V347-P435 HydrophobicContact CG1-CB 3.97Å; V347-P435 HydrophobicContact CG1-CG 4.34Å; V347-P435 HydrophobicContact CG2-CB 4.05Å; V377-P435 HydrophobicContact CG2-CB 3.98Å; V377-P435 HydrophobicContact CG2-CG 3.93Å; F433-P435 HydrophobicContact CE1-CG 3.97Å; F433-P435 HydrophobicContact CZ-CG 4.05Å; P435-H437 PolarHBondContact O-N 3.18Å; P435-H437 VanDerWaalsContact O-N 3.08Å; P435-F438 PolarHBondContact O-N 2.86Å
436E95.1Very high95.3Very high48 Ų4864 Ų6422%0.22432%0.322CS..G310 helixtrans-64.4-6.3174.9-59.486.116400114.4C345 H434 F438 L439C345-E436 PolarHBondContact SG-OE1 2.86Å; H434-E436 IonicContact CE1-OE2 3.73Å; H434-E436 PolarHBondContact CE1-OE2 2.84Å; H434-E436 IonicContact CG-OE2 3.04Å; H434-E436 IonicContact ND1-OE2 3.89Å; H434-E436 PolarHBondContact ND1-OE2 2.91Å; H434-E436 PolarHBondContact O-N 3.26Å; E436-F438 PolarHBondContact O-N 2.89Å; E436-L439 PolarHBondContact O-N 3.49Å
437H96.7Very high95.3Very high16 Ų1665.4 Ų65.47%0.07432%0.322CS..G310 helixtrans-58-26.9163-74.7151.5000113E380 H383 W427 K429 H434 P435E380-H437 IonicContact OE1-CE1 2.69Å; E380-H437 IonicContact OE1-ND1 3.8Å; E380-H437 PolarHBondContact OE1-ND1 3.17Å; E380-H437 IonicContact OE2-CG 3.77Å; E380-H437 IonicContact OE2-ND1 2.97Å; E380-H437 PolarHBondContact OE2-ND1 3.39Å; H383-H437 AromaticContact CE1-ND1 3.93Å; W427-H437 HydrophobicContact CE3-CB 3.83Å; W427-H437 AromaticContact CE3-CG 3.76Å; W427-H437 HydrophobicContact CZ3-CB 3.89Å; K429-H437 PolarHBondContact N-NE2 3.29Å; K429-H437 VanDerWaalsContact N-NE2 3.1Å; K429-H437 PolarHBondContact O-CE1 2.87Å; K429-H437 VanDerWaalsContact O-CE1 3.3Å; H434-H437 AromaticContact CD2-CD2 3.84Å; H434-H437 AromaticContact CD2-NE2 3.8Å; H434-H437 WeakPolarHBondContact O-CB 3.33Å; H434-H437 VanDerWaalsContact O-CG 3.32Å; H434-H437 PolarHBondContact O-N 3.39Å; H434-H437 PolarHBondContact O-ND1 3.42Å; P435-H437 PolarHBondContact O-N 3.18Å; P435-H437 VanDerWaalsContact O-N 3.08Å
438F97.8Very high95.3Very high0 Ų066.9 Ų66.90%033%0.332CS..G310 helixtrans-114.617.5-177-62.6-85.5000112.7A376 H379 E380 H383 W427 P435 E436 F445 V446 F451A376-F438 HydrophobicContact CB-CB 3.72Å; H379-F438 HydrophobicContact CB-CD1 3.64Å; H379-F438 HydrophobicContact CB-CD2 3.84Å; H379-F438 HydrophobicContact CB-CE1 3.68Å; H379-F438 HydrophobicContact CB-CE2 3.89Å; H379-F438 HydrophobicContact CB-CG 3.73Å; H379-F438 HydrophobicContact CB-CZ 3.81Å; E380-F438 HydrophobicContact CB-CD2 4.08Å; E380-F438 HydrophobicContact CB-CE2 4.13Å; E380-F438 WeakPolarHBondContact OE2-CE2 3.23Å; H383-F438 HydrophobicContact CB-CE2 4.06Å; H383-F438 HydrophobicContact CB-CZ 4.08Å; W427-F438 HydrophobicContact CH2-CE1 4.04Å; W427-F438 HydrophobicContact CH2-CE2 4.47Å; W427-F438 AromaticContact CH2-CZ 3.68Å; W427-F438 HydrophobicContact CH2-CZ 3.68Å; W427-F438 HydrophobicContact CZ3-CE1 4.17Å; W427-F438 HydrophobicContact CZ3-CE2 4.06Å; W427-F438 AromaticContact CZ3-CZ 3.69Å; W427-F438 HydrophobicContact CZ3-CZ 3.69Å; P435-F438 PolarHBondContact O-N 2.86Å; E436-F438 PolarHBondContact O-N 2.89Å; F438-F445 HydrophobicContact CB-CD2 4.04Å; F438-F445 HydrophobicContact CB-CE2 3.83Å; F438-F445 HydrophobicContact CD1-CE2 4.08Å; F438-F445 HydrophobicContact CG-CE2 4.29Å; F438-F445 CarbonylContact O-C 3.43Å; F438-F445 WeakPolarHBondContact O-CA 3.3Å; F438-F445 WeakPolarHBondContact O-CD2 3.41Å; F438-V446 CarbonylContact C-O 3.59Å; F438-V446 VanDerWaalsContact CA-O 3.23Å; F438-V446 WeakPolarHBondContact CA-O 3.38Å; F438-V446 WeakPolarHBondContact CD1-O 3.39Å; F438-V446 PolarHBondContact O-N 3Å; F438-F451 HydrophobicContact CE1-CB 4.08Å; F438-F451 AromaticContact CE1-CD2 3.63Å; F438-F451 HydrophobicContact CE1-CD2 3.63Å; F438-F451 HydrophobicContact CE1-CE2 4.16Å; F438-F451 AromaticContact CE1-CG 3.86Å; F438-F451 HydrophobicContact CE1-CG 3.86Å; F438-F451 AromaticContact CZ-CD2 3.45Å; F438-F451 HydrophobicContact CZ-CD2 3.45Å; F438-F451 VanDerWaalsContact CZ-CD2 3.45Å; F438-F451 AromaticContact CZ-CE2 3.84Å; F438-F451 HydrophobicContact CZ-CE2 3.84Å; F438-F451 HydrophobicContact CZ-CG 4.15Å
439L95.9Very high95.4Very high21 Ų2164.2 Ų64.211%0.1132%0.323CS..BIsolated β-bridgetrans-127.2136.2176.6-62.8169000110.8V347 P372 A376 E436 H444V347-L439 HydrophobicContact CG2-CD1 3.32Å; P372-L439 HydrophobicContact CB-CD2 4.46Å; A376-L439 HydrophobicContact CB-CD1 4.11Å; A376-L439 HydrophobicContact CB-CD2 3.74Å; A376-L439 HydrophobicContact CB-CG 3.66Å; E436-L439 PolarHBondContact O-N 3.49Å; L439-H444 WeakPolarHBondContact CA-O 3.46Å
440D93.6Very high95.4Very high51 Ų5160.1 Ų60.127%0.27331%0.305SS..  trans-77.9179.9166.971.313.1000111.5Q442 G443 H444 V446D440-Q442 PolarHBondContact O-N 2.54Å; D440-Q442 WeakPolarHBondContact OD1-CA 3.42Å; D440-Q442 WeakPolarHBondContact OD1-CB 3.26Å; D440-Q442 PolarHBondContact OD1-N 2.9Å; D440-G443 PolarHBondContact O-N 3.21Å; D440-G443 VanDerWaalsContact O-N 3.15Å; D440-G443 PolarHBondContact OD1-N 2.92Å; D440-H444 PolarHBondContact N-O 3.27Å; D440-H444 IonicContact OD1-CG 3.66Å; D440-H444 PolarHBondContact OD1-N 3.38Å; D440-H444 IonicContact OD1-ND1 3.11Å; D440-H444 WeakPolarHBondContact OD2-CB 3.23Å; D440-H444 IonicContact OD2-CG 3.14Å; D440-H444 IonicContact OD2-ND1 3.98Å; D440-H444 PolarHBondContact OD2-ND1 2.82Å; D440-H444 VanDerWaalsContact OD2-ND1 3.11Å; D440-V446 HydrophobicContact CB-CG1 4.09Å
441A91Very high95.6Very high100 Ų10060.3 Ų60.383%0.82631%0.305SS*.THydrogen-bonded Turntrans-67.1-16179.700000113.5
442Q91.2Very high95.7Very high139 Ų13956.2 Ų56.265%0.6529%0.288SS*.THydrogen-bonded Turntrans-92.9-6.7178.1-6967.542.300112D440D440-Q442 PolarHBondContact O-N 2.54Å; D440-Q442 WeakPolarHBondContact OD1-CA 3.42Å; D440-Q442 WeakPolarHBondContact OD1-CB 3.26Å; D440-Q442 PolarHBondContact OD1-N 2.9Å
443G89.6Confident95.8Very high32 Ų3249 Ų4933%0.3326%0.264SS..SBendtrans83.812.7-177.200000113.9D440D440-G443 PolarHBondContact O-N 3.21Å; D440-G443 VanDerWaalsContact O-N 3.15Å; D440-G443 PolarHBondContact OD1-N 2.92Å
444H93.4Very high95.9Very high115 Ų11549.6 Ų49.653%0.53227%0.267SS..  trans-78.1144.3171.8-50.9126.9000110.7L439 D440 V446L439-H444 WeakPolarHBondContact CA-O 3.46Å; D440-H444 PolarHBondContact N-O 3.27Å; D440-H444 IonicContact OD1-CG 3.66Å; D440-H444 PolarHBondContact OD1-N 3.38Å; D440-H444 IonicContact OD1-ND1 3.11Å; D440-H444 WeakPolarHBondContact OD2-CB 3.23Å; D440-H444 IonicContact OD2-CG 3.14Å; D440-H444 IonicContact OD2-ND1 3.98Å; D440-H444 PolarHBondContact OD2-ND1 2.82Å; D440-H444 VanDerWaalsContact OD2-ND1 3.11Å; H444-V446 PolarHBondContact O-N 3.18Å
445F96.8Very high96Very high65 Ų6549.2 Ų49.229%0.28527%0.268SS..BIsolated β-bridgetrans-66.6125.2173.4173-101.8000111P372 T375 A376 H379 F438 K447P372-F445 HydrophobicContact CB-CB 3.96Å; T375-F445 HydrophobicContact CG2-CD1 4.07Å; T375-F445 HydrophobicContact CG2-CD2 3.68Å; T375-F445 HydrophobicContact CG2-CE1 4.07Å; T375-F445 HydrophobicContact CG2-CE2 3.69Å; T375-F445 HydrophobicContact CG2-CG 3.88Å; T375-F445 HydrophobicContact CG2-CZ 3.89Å; A376-F445 HydrophobicContact CB-CD2 4.24Å; H379-F445 HydrophobicContact CB-CE2 4.27Å; H379-F445 AromaticContact CD2-CZ 3.67Å; H379-F445 AromaticContact CE1-CE2 3.87Å; H379-F445 AromaticContact CE1-CZ 3.46Å; H379-F445 VanDerWaalsContact CE1-CZ 3.46Å; H379-F445 WeakPolarHBondContact CE1-CZ 3.47Å; H379-F445 AromaticContact CG-CE2 3.73Å; H379-F445 AromaticContact CG-CZ 3.83Å; H379-F445 AromaticContact ND1-CE2 3.61Å; H379-F445 AromaticContact ND1-CZ 3.69Å; H379-F445 AromaticContact NE2-CZ 3.47Å; H379-F445 WeakPolarHBondContact NE2-CZ 3.34Å; F438-F445 HydrophobicContact CB-CD2 4.04Å; F438-F445 HydrophobicContact CB-CE2 3.83Å; F438-F445 HydrophobicContact CD1-CE2 4.08Å; F438-F445 HydrophobicContact CG-CE2 4.29Å; F438-F445 CarbonylContact O-C 3.43Å; F438-F445 WeakPolarHBondContact O-CA 3.3Å; F438-F445 WeakPolarHBondContact O-CD2 3.41Å; F445-K447 HydrophobicContact CE1-CB 3.96Å; F445-K447 HydrophobicContact CZ-CB 3.85Å; F445-K447 HydrophobicContact CZ-CD 4.48Å; F445-K447 HydrophobicContact CZ-CG 4.28Å
446V97.4Very high96Very high59 Ų5949.8 Ų49.836%0.35827%0.273SS..  trans-123.8139.9172.3-64.90000109.3F438 D440 H444 P448F438-V446 CarbonylContact C-O 3.59Å; F438-V446 VanDerWaalsContact CA-O 3.23Å; F438-V446 WeakPolarHBondContact CA-O 3.38Å; F438-V446 WeakPolarHBondContact CD1-O 3.39Å; F438-V446 PolarHBondContact O-N 3Å; D440-V446 HydrophobicContact CB-CG1 4.09Å; H444-V446 PolarHBondContact O-N 3.18Å; V446-P448 WeakPolarHBondContact O-CD 3.25Å
447K97.7Very high96.1Very high104 Ų10449.1 Ų49.145%0.45228%0.278SS..  trans-114.5100.3179.9-167.8177.672.3179.60110.3F445 F451F445-K447 HydrophobicContact CE1-CB 3.96Å; F445-K447 HydrophobicContact CZ-CB 3.85Å; F445-K447 HydrophobicContact CZ-CD 4.48Å; F445-K447 HydrophobicContact CZ-CG 4.28Å; K447-F451 HydrophobicContact CD-CD1 3.93Å; K447-F451 HydrophobicContact CG-CB 4.19Å; K447-F451 HydrophobicContact CG-CD1 4.04Å; K447-F451 HydrophobicContact CG-CG 4.38Å
448P97.6Very high96.1Very high38 Ų3853.1 Ų53.125%0.24729%0.293CS..  trans-57.1145.9175.8-26.435.9000112.5W427 V446 A450 F451W427-P448 HydrophobicContact CH2-CB 3.91Å; W427-P448 HydrophobicContact CH2-CG 3.96Å; W427-P448 HydrophobicContact CZ2-CB 4.48Å; W427-P448 HydrophobicContact CZ3-CB 4.21Å; W427-P448 HydrophobicContact CZ3-CG 3.8Å; V446-P448 WeakPolarHBondContact O-CD 3.25Å; P448-A450 PolarHBondContact O-N 3.33Å; P448-A450 VanDerWaalsContact O-N 3.16Å; P448-F451 VanDerWaalsContact O-CB 3.28Å; P448-F451 WeakPolarHBondContact O-CB 3.34Å; P448-F451 PolarHBondContact O-N 2.83Å
449E97.7Very high96.1Very high126 Ų12653.8 Ų53.859%0.58930%0.295SS*.THydrogen-bonded Turntrans-61.2-24.8177.8-66-164.2140.200113.1L84 R88 F451L84-E449 HydrophobicContact CD2-CB 3.83Å; R88-E449 IonicContact CZ-OE1 3.18Å; R88-E449 IonicContact NH1-OE1 2.63Å; R88-E449 PolarHBondContact NH1-OE1 3.29Å; R88-E449 IonicContact NH1-OE2 2.66Å; R88-E449 PolarHBondContact NH1-OE2 3.02Å; R88-E449 IonicContact NH2-OE1 2.84Å; E449-F451 PolarHBondContact O-N 3.11Å
450A97.9Very high96.2Very high2 Ų253.6 Ų53.62%0.01730%0.297CS..THydrogen-bonded Turntrans-71.1-4.3175.400000113.4L84 V420 V426 W427 P448 L452L84-A450 HydrophobicContact CD2-CB 4.47Å; V420-A450 HydrophobicContact CG1-CB 4.03Å; V420-A450 WeakPolarHBondContact CG1-O 3.27Å; V426-A450 HydrophobicContact CB-CB 4.37Å; V426-A450 HydrophobicContact CG1-CB 3.7Å; V426-A450 HydrophobicContact CG2-CB 4.48Å; W427-A450 HydrophobicContact CZ2-CB 3.65Å; P448-A450 PolarHBondContact O-N 3.33Å; P448-A450 VanDerWaalsContact O-N 3.16Å; A450-L452 VanDerWaalsContact C-N 3.35Å; A450-L452 PolarHBondContact O-N 3.36Å
451F98.5Very high96.4Very high13 Ų1353.8 Ų53.86%0.05730%0.301CS..  trans-77.283.8172.3-172.6-108000111.1H379 Q382 H383 L421 W427 F438 K447 P448 E449 P453H379-F451 HydrophobicContact CB-CE2 4.17Å; H379-F451 HydrophobicContact CB-CZ 4.08Å; H379-F451 AromaticContact CD2-CD1 3.79Å; H379-F451 AromaticContact CD2-CE1 3.24Å; H379-F451 WeakPolarHBondContact CD2-CE1 3.33Å; H379-F451 AromaticContact CD2-CZ 3.41Å; H379-F451 VanDerWaalsContact CD2-CZ 3.41Å; H379-F451 WeakPolarHBondContact CD2-CZ 3.16Å; H379-F451 AromaticContact CG-CZ 3.96Å; H379-F451 AromaticContact NE2-CE1 3.85Å; H379-F451 VanDerWaalsContact O-CE2 3.31Å; H379-F451 WeakPolarHBondContact O-CE2 3.46Å; Q382-F451 HydrophobicContact CB-CE2 4.03Å; Q382-F451 HydrophobicContact CB-CZ 3.98Å; H383-F451 HydrophobicContact CB-CD2 4.46Å; H383-F451 HydrophobicContact CB-CE2 4.31Å; L421-F451 HydrophobicContact CD2-CD2 4.38Å; W427-F451 HydrophobicContact CH2-CB 4.25Å; F438-F451 HydrophobicContact CE1-CB 4.08Å; F438-F451 AromaticContact CE1-CD2 3.63Å; F438-F451 HydrophobicContact CE1-CD2 3.63Å; F438-F451 HydrophobicContact CE1-CE2 4.16Å; F438-F451 AromaticContact CE1-CG 3.86Å; F438-F451 HydrophobicContact CE1-CG 3.86Å; F438-F451 AromaticContact CZ-CD2 3.45Å; F438-F451 HydrophobicContact CZ-CD2 3.45Å; F438-F451 VanDerWaalsContact CZ-CD2 3.45Å; F438-F451 AromaticContact CZ-CE2 3.84Å; F438-F451 HydrophobicContact CZ-CE2 3.84Å; F438-F451 HydrophobicContact CZ-CG 4.15Å; K447-F451 HydrophobicContact CD-CD1 3.93Å; K447-F451 HydrophobicContact CG-CB 4.19Å; K447-F451 HydrophobicContact CG-CD1 4.04Å; K447-F451 HydrophobicContact CG-CG 4.38Å; P448-F451 VanDerWaalsContact O-CB 3.28Å; P448-F451 WeakPolarHBondContact O-CB 3.34Å; P448-F451 PolarHBondContact O-N 2.83Å; E449-F451 PolarHBondContact O-N 3.11Å; F451-P453 HydrophobicContact CD1-CG 4.18Å; F451-P453 HydrophobicContact CD2-CG 4.27Å; F451-P453 HydrophobicContact CE1-CG 3.68Å; F451-P453 HydrophobicContact CE2-CG 3.8Å; F451-P453 HydrophobicContact CG-CG 4.49Å; F451-P453 HydrophobicContact CZ-CG 3.51Å; F451-P453 WeakPolarHBondContact O-CD 3.35Å
452L98.1Very high96.6Very high28 Ų2850.4 Ų50.415%0.14727%0.269CS..  trans-118.146.9180-67.2-178000114.5L84 V87 V420 A450 F454 S455 A456L84-L452 HydrophobicContact CD1-CD1 3.51Å; L84-L452 HydrophobicContact CD1-CG 4.34Å; V87-L452 HydrophobicContact CG1-CD1 4.47Å; V420-L452 HydrophobicContact CG1-CD1 4.35Å; A450-L452 VanDerWaalsContact C-N 3.35Å; A450-L452 PolarHBondContact O-N 3.36Å; L452-F454 PolarHBondContact O-N 2.92Å; L452-F454 VanDerWaalsContact O-N 3.15Å; L452-S455 PolarHBondContact O-N 3.44Å; L452-S455 VanDerWaalsContact O-N 3.12Å; L452-A456 HydrophobicContact CD1-CB 4.45Å; L452-A456 HydrophobicContact CD2-CB 4.37Å
453P98.1Very high96.8Very high24 Ų2444.5 Ų44.516%0.15625%0.246CC..THydrogen-bonded Turntrans-64.9-19.9177.330.4-36.2000112.9L421 F451L421-P453 HydrophobicContact CD1-CB 4.4Å; F451-P453 HydrophobicContact CD1-CG 4.18Å; F451-P453 HydrophobicContact CD2-CG 4.27Å; F451-P453 HydrophobicContact CE1-CG 3.68Å; F451-P453 HydrophobicContact CE2-CG 3.8Å; F451-P453 HydrophobicContact CG-CG 4.49Å; F451-P453 HydrophobicContact CZ-CG 3.51Å; F451-P453 WeakPolarHBondContact O-CD 3.35Å
454F98.2Very high97.1Very high29 Ų2945.3 Ų45.313%0.12724%0.241CC..THydrogen-bonded Turntrans-99.313.5178.8-60.5-70.6000113.5L452 A460 C461 E464 A467L452-F454 PolarHBondContact O-N 2.92Å; L452-F454 VanDerWaalsContact O-N 3.15Å; F454-A460 WeakPolarHBondContact O-CA 3.44Å; F454-C461 HydrophobicContact CB-CB 3.83Å; F454-C461 HydrophobicContact CD1-CB 3.64Å; F454-C461 HydrophobicContact CG-CB 4.16Å; F454-C461 PolarHBondContact O-N 3.46Å; F454-E464 HydrophobicContact CB-CB 4.4Å; F454-E464 HydrophobicContact CD1-CB 4.07Å; F454-E464 HydrophobicContact CD1-CG 4.46Å; F454-E464 HydrophobicContact CD2-CB 4.16Å; F454-E464 HydrophobicContact CD2-CG 3.68Å; F454-E464 HydrophobicContact CE1-CB 4.35Å; F454-E464 HydrophobicContact CE2-CB 4.46Å; F454-E464 HydrophobicContact CE2-CG 3.87Å; F454-E464 HydrophobicContact CG-CB 3.95Å; F454-E464 HydrophobicContact CG-CG 3.99Å; F454-E464 HydrophobicContact CZ-CG 4.32Å; F454-A467 HydrophobicContact CE1-CB 3.97Å; F454-A467 HydrophobicContact CZ-CB 4.03Å
455S97.7Very high97.2Very high21 Ų2142.5 Ų42.515%0.14723%0.233CC..  trans57.8-162-170.3-166.60000112.3L452L452-S455 PolarHBondContact O-N 3.44Å; L452-S455 VanDerWaalsContact O-N 3.12Å
456A96.8Very high97.1Very high15 Ų1540 Ų4012%0.12422%0.222CC..  trans-140.4170.4-178.300000112.1M91 V92 L452M91-A456 HydrophobicContact CB-CB 4.31Å; V92-A456 HydrophobicContact CG2-CB 4.01Å; L452-A456 HydrophobicContact CD1-CB 4.45Å; L452-A456 HydrophobicContact CD2-CB 4.37Å
457G97.1Very high97.1Very high33 Ų3337.6 Ų37.634%0.3421%0.209SC..G310 helixtrans76.1-162.5174.600000114.6M91 R459 A460M91-G457 VanDerWaalsContact O-CA 3.31Å; M91-G457 WeakPolarHBondContact O-CA 3.24Å; G457-R459 PolarHBondContact O-N 3.47Å; G457-R459 VanDerWaalsContact O-N 3.1Å; G457-A460 WeakPolarHBondContact O-CB 3.43Å; G457-A460 PolarHBondContact O-N 2.98Å; G457-A460 VanDerWaalsContact O-N 3.1Å
458R96.8Very high97Very high100 Ų10035.7 Ų35.738%0.37720%0.199SC..G310 helixtrans-62.5-22.4-171.1-63.4-175.6174.6-176.8-4.5114.3E96 A99 Y124 W128E96-R458 IonicContact OE1-CZ 3.57Å; E96-R458 IonicContact OE1-NH1 2.96Å; E96-R458 PolarHBondContact OE1-NH1 3.46Å; E96-R458 IonicContact OE1-NH2 3.1Å; E96-R458 PolarHBondContact OE1-NH2 3.28Å; A99-R458 HydrophobicContact CB-CB 4.19Å; Y124-R458 PolarHBondContact OH-NH1 3.05Å; W128-R458 HydrophobicContact CH2-CB 4.01Å; W128-R458 WeakPolarHBondContact CH2-O 3.48Å; W128-R458 WeakPolarHBondContact CZ2-O 3.37Å
459R97.8Very high96.9Very high15 Ų1534.5 Ų34.56%0.05719%0.19CC..G310 helixtrans-106.34.9-178-73.1-78.3-172.9154.28.1113.4A99 V119 I120 S122 W128 G457A99-R459 HydrophobicContact CB-CG 4.35Å; A99-R459 VanDerWaalsContact O-CZ 3.3Å; A99-R459 PolarHBondContact O-NE 2.99Å; A99-R459 PolarHBondContact O-NH2 3.5Å; V119-R459 PolarHBondContact O-NH1 3Å; I120-R459 PolarHBondContact O-NH1 3.08Å; S122-R459 PolarHBondContact O-NH1 3.06Å; S122-R459 PolarHBondContact O-NH2 3.17Å; W128-R459 VanDerWaalsContact CE2-NE 3.34Å; W128-R459 HydrophobicContact CZ2-CG 4.16Å; W128-R459 VanDerWaalsContact NE1-CZ 3.33Å; W128-R459 VanDerWaalsContact NE1-NH1 3.19Å; G457-R459 PolarHBondContact O-N 3.47Å; G457-R459 VanDerWaalsContact O-N 3.1Å
460A97.3Very high96.9Very high17 Ų1728.5 Ų28.514%0.1416%0.162CC..SBendtrans-49.4152.4170.800000110.7R132 F454 G457 L462R132-A460 PolarHBondContact NH1-O 2.95Å; R132-A460 PolarHBondContact NH2-O 3.03Å; F454-A460 WeakPolarHBondContact O-CA 3.44Å; G457-A460 WeakPolarHBondContact O-CB 3.43Å; G457-A460 PolarHBondContact O-N 2.98Å; G457-A460 VanDerWaalsContact O-N 3.1Å; A460-L462 PolarHBondContact O-N 3.32Å; A460-L462 VanDerWaalsContact O-N 3.14Å
461C97.9Very high96.9Very high55 Ų5528.8 Ų28.837%0.37216%0.163SC..  trans-51.8123.2-173.5-172.50000111.9F454 G463 E464F454-C461 HydrophobicContact CB-CB 3.83Å; F454-C461 HydrophobicContact CD1-CB 3.64Å; F454-C461 HydrophobicContact CG-CB 4.16Å; F454-C461 PolarHBondContact O-N 3.46Å; C461-G463 PolarHBondContact O-N 3.01Å; C461-G463 PolarHBondContact SG-N 2.82Å; C461-E464 HydrophobicContact CB-CB 4.47Å
462L95.9Very high96.9Very high28 Ų2828.2 Ų28.215%0.14716%0.161CC..THydrogen-bonded Turntrans-68.8-26173.657.196.2000112.4V119 V136 L139 L302 A460 E464V119-L462 HydrophobicContact CB-CD2 4.39Å; V119-L462 HydrophobicContact CG1-CD2 3.52Å; V136-L462 HydrophobicContact CG2-CB 3.96Å; L139-L462 HydrophobicContact CD1-CD1 3.64Å; L302-L462 HydrophobicContact CD2-CD1 3.75Å; A460-L462 PolarHBondContact O-N 3.32Å; A460-L462 VanDerWaalsContact O-N 3.14Å; L462-E464 VanDerWaalsContact C-N 3.33Å
463G95.6Very high96.9Very high16 Ų1626.9 Ų26.917%0.16515%0.154CC..THydrogen-bonded Turntrans-85.90.6-177.200000113.7C461 P465 L466 A467C461-G463 PolarHBondContact O-N 3.01Å; C461-G463 PolarHBondContact SG-N 2.82Å; G463-P465 VanDerWaalsContact C-CD 3.46Å; G463-P465 VanDerWaalsContact C-N 3.31Å; G463-L466 PolarHBondContact O-N 3.39Å; G463-A467 WeakPolarHBondContact O-CB 3.47Å; G463-A467 PolarHBondContact O-N 2.66Å
464E96Very high96.9Very high49 Ų4925.8 Ų25.823%0.22915%0.146CC..Hα-helixtrans-49.4-44.6-179.9171-178.217600113.2F454 C461 L462 L466 A467 R468F454-E464 HydrophobicContact CB-CB 4.4Å; F454-E464 HydrophobicContact CD1-CB 4.07Å; F454-E464 HydrophobicContact CD1-CG 4.46Å; F454-E464 HydrophobicContact CD2-CB 4.16Å; F454-E464 HydrophobicContact CD2-CG 3.68Å; F454-E464 HydrophobicContact CE1-CB 4.35Å; F454-E464 HydrophobicContact CE2-CB 4.46Å; F454-E464 HydrophobicContact CE2-CG 3.87Å; F454-E464 HydrophobicContact CG-CB 3.95Å; F454-E464 HydrophobicContact CG-CG 3.99Å; F454-E464 HydrophobicContact CZ-CG 4.32Å; C461-E464 HydrophobicContact CB-CB 4.47Å; L462-E464 VanDerWaalsContact C-N 3.33Å; E464-L466 PolarHBondContact O-N 3.42Å; E464-A467 PolarHBondContact O-N 3.5Å; E464-R468 WeakPolarHBondContact O-CG 3.27Å; E464-R468 PolarHBondContact O-N 3.42Å; E464-R468 IonicContact OE1-CZ 2.78Å; E464-R468 IonicContact OE1-NE 2.95Å; E464-R468 IonicContact OE1-NH1 2.98Å; E464-R468 PolarHBondContact OE1-NH1 3.24Å; E464-R468 IonicContact OE1-NH2 3.4Å; E464-R468 PolarHBondContact OE1-NH2 3.05Å
465P94.1Very high96.9Very high56 Ų5624.7 Ų24.736%0.36414%0.142SC..Hα-helixtrans-63.5-39.6177.8-23.936000113.6L144 G463 M469L144-P465 HydrophobicContact CD1-CB 3.59Å; L144-P465 HydrophobicContact CD1-CG 3.98Å; L144-P465 HydrophobicContact CD2-CB 3.5Å; L144-P465 VanDerWaalsContact CD2-CB 3.5Å; L144-P465 HydrophobicContact CG-CB 4.2Å; G463-P465 VanDerWaalsContact C-CD 3.46Å; G463-P465 VanDerWaalsContact C-N 3.31Å; P465-M469 PolarHBondContact O-N 3.37Å
466L94.9Very high97Very high11 Ų1123.7 Ų23.76%0.05814%0.135CC..Hα-helixtrans-69.4-46.4177.117063.4000110.6L139 L149 V185 I186 L189 G463 E464 R468 M469 E470L139-L466 HydrophobicContact CD2-CD2 4.28Å; L149-L466 HydrophobicContact CD1-CD1 4.17Å; L149-L466 HydrophobicContact CD2-CD1 3.69Å; L149-L466 HydrophobicContact CG-CD1 4.08Å; V185-L466 HydrophobicContact CG1-CD1 3.89Å; I186-L466 HydrophobicContact CD1-CD2 3.7Å; L189-L466 HydrophobicContact CD2-CD2 4.05Å; G463-L466 PolarHBondContact O-N 3.39Å; E464-L466 PolarHBondContact O-N 3.42Å; L466-R468 VanDerWaalsContact C-N 3.31Å; L466-R468 PolarHBondContact O-N 2.99Å; L466-M469 WeakPolarHBondContact O-CB 3.46Å; L466-M469 PolarHBondContact O-N 3.44Å; L466-E470 HydrophobicContact CD1-CG 3.91Å; L466-E470 VanDerWaalsContact CD1-OE1 3.31Å; L466-E470 WeakPolarHBondContact CD1-OE1 3.43Å; L466-E470 HydrophobicContact CG-CG 4.35Å; L466-E470 WeakPolarHBondContact CG-OE1 3.33Å; L466-E470 PolarHBondContact O-N 3.32Å
467A96.8Very high97.1Very high9 Ų923.3 Ų23.37%0.07413%0.131CC..Hα-helixtrans-58.5-41.8177.600000111.8F454 G463 E464 M469 E470 L471F454-A467 HydrophobicContact CE1-CB 3.97Å; F454-A467 HydrophobicContact CZ-CB 4.03Å; G463-A467 WeakPolarHBondContact O-CB 3.47Å; G463-A467 PolarHBondContact O-N 2.66Å; E464-A467 PolarHBondContact O-N 3.5Å; A467-M469 VanDerWaalsContact C-N 3.32Å; A467-M469 PolarHBondContact O-N 3.31Å; A467-E470 PolarHBondContact O-N 3.44Å; A467-L471 VanDerWaalsContact O-CB 3.29Å; A467-L471 WeakPolarHBondContact O-CB 3.18Å; A467-L471 WeakPolarHBondContact O-CG 3.32Å; A467-L471 PolarHBondContact O-N 3.35Å
468R95.8Very high97.1Very high64 Ų6421.8 Ų21.824%0.24212%0.115CC..Hα-helixtrans-60.4-41.5174.6-80.2-169.8170.5129.514.8112.6E464 L466 F472E464-R468 WeakPolarHBondContact O-CG 3.27Å; E464-R468 PolarHBondContact O-N 3.42Å; E464-R468 IonicContact OE1-CZ 2.78Å; E464-R468 IonicContact OE1-NE 2.95Å; E464-R468 IonicContact OE1-NH1 2.98Å; E464-R468 PolarHBondContact OE1-NH1 3.24Å; E464-R468 IonicContact OE1-NH2 3.4Å; E464-R468 PolarHBondContact OE1-NH2 3.05Å; L466-R468 VanDerWaalsContact C-N 3.31Å; L466-R468 PolarHBondContact O-N 2.99Å; R468-F472 WeakPolarHBondContact O-CB 3.27Å; R468-F472 PolarHBondContact O-N 3.22Å; R468-F472 VanDerWaalsContact O-N 3.09Å
469M95.4Very high97.2Very high13 Ų1317 Ų176%0.06410%0.097CC..Hα-helixtrans-65.6-51177.8177.7-175.9-60.600111.4L149 E150 V153 M365 P465 L466 A467 L471 F472 L473L149-M469 HydrophobicContact CB-SD 4.38Å; L149-M469 HydrophobicContact CD2-CE 3.95Å; L149-M469 HydrophobicContact CD2-SD 3.75Å; L149-M469 HydrophobicContact CG-SD 4.06Å; E150-M469 HydrophobicContact CB-CE 4.37Å; E150-M469 HydrophobicContact CB-SD 4.07Å; V153-M469 HydrophobicContact CG2-CG 4.43Å; V153-M469 HydrophobicContact CG2-SD 4.18Å; M365-M469 HydrophobicContact CE-CB 4.38Å; M365-M469 HydrophobicContact CG-CE 4.32Å; M365-M469 HydrophobicContact CG-CG 3.87Å; M365-M469 VanDerWaalsContact SD-CA 3.6Å; M365-M469 HydrophobicContact SD-CB 3.94Å; M365-M469 HydrophobicContact SD-CG 3.72Å; P465-M469 PolarHBondContact O-N 3.37Å; L466-M469 WeakPolarHBondContact O-CB 3.46Å; L466-M469 PolarHBondContact O-N 3.44Å; A467-M469 VanDerWaalsContact C-N 3.32Å; A467-M469 PolarHBondContact O-N 3.31Å; M469-L471 PolarHBondContact O-N 3.13Å; M469-F472 PolarHBondContact O-N 3.24Å; M469-L473 HydrophobicContact CG-CD1 3.63Å; M469-L473 HydrophobicContact CG-CG 4.39Å; M469-L473 WeakPolarHBondContact O-CB 3.14Å; M469-L473 WeakPolarHBondContact O-CG 3.25Å; M469-L473 PolarHBondContact O-N 3.21Å
470E97.6Very high97.2Very high1 Ų116.4 Ų16.41%0.00510%0.095CC..Hα-helixtrans-58.5-49.3177.7-71.8-174.7-131.400111.9V153 V182 V185 T310 L466 A467 F472 L473 F474V153-E470 HydrophobicContact CG1-CG 4.36Å; V153-E470 HydrophobicContact CG2-CG 4.09Å; V182-E470 WeakPolarHBondContact CG1-OE2 3.21Å; V185-E470 HydrophobicContact CG1-CG 4.06Å; T310-E470 HydrophobicContact CG2-CB 3.76Å; T310-E470 WeakPolarHBondContact CG2-OE2 3.43Å; L466-E470 HydrophobicContact CD1-CG 3.91Å; L466-E470 VanDerWaalsContact CD1-OE1 3.31Å; L466-E470 WeakPolarHBondContact CD1-OE1 3.43Å; L466-E470 HydrophobicContact CG-CG 4.35Å; L466-E470 WeakPolarHBondContact CG-OE1 3.33Å; L466-E470 PolarHBondContact O-N 3.32Å; A467-E470 PolarHBondContact O-N 3.44Å; E470-F472 VanDerWaalsContact C-N 3.33Å; E470-F472 PolarHBondContact O-N 2.71Å; E470-L473 PolarHBondContact O-N 3.38Å; E470-F474 HydrophobicContact CB-CD2 3.95Å; E470-F474 HydrophobicContact CB-CE2 4.08Å; E470-F474 HydrophobicContact CG-CE2 4.15Å; E470-F474 VanDerWaalsContact O-CB 3.27Å; E470-F474 WeakPolarHBondContact O-CB 3.39Å; E470-F474 WeakPolarHBondContact O-CD2 3.44Å; E470-F474 PolarHBondContact O-N 3.34Å
471L98.6Very high97.2Very high7 Ų719 Ų194%0.03710%0.104CC..Hα-helixtrans-59.8-43.7179.6-69.7176.1000111.7T310 T313 L314 I378 Q382 A467 M469 F475T310-L471 HydrophobicContact CG2-CD2 3.95Å; T310-L471 HydrophobicContact CG2-CG 4.3Å; T313-L471 HydrophobicContact CG2-CD1 3.89Å; T313-L471 HydrophobicContact CG2-CD2 3.49Å; T313-L471 VanDerWaalsContact CG2-CD2 3.49Å; T313-L471 HydrophobicContact CG2-CG 4.36Å; L314-L471 HydrophobicContact CD2-CD2 3.96Å; L314-L471 HydrophobicContact CG-CD2 3.97Å; I378-L471 HydrophobicContact CG2-CB 3.92Å; I378-L471 HydrophobicContact CG2-CD1 4.32Å; Q382-L471 HydrophobicContact CG-CD1 3.98Å; A467-L471 VanDerWaalsContact O-CB 3.29Å; A467-L471 WeakPolarHBondContact O-CB 3.18Å; A467-L471 WeakPolarHBondContact O-CG 3.32Å; A467-L471 PolarHBondContact O-N 3.35Å; M469-L471 PolarHBondContact O-N 3.13Å; L471-F475 WeakPolarHBondContact O-CB 3.32Å; L471-F475 PolarHBondContact O-N 3Å; L471-F475 VanDerWaalsContact O-N 3.17Å
472F98.4Very high97.2Very high1 Ų116.8 Ų16.80%0.0049%0.088CC..Hα-helixtrans-66.7-52.1179.1-177.7-98.1000112.2E364 M365 D367 Q368 M371 T374 I378 R468 M469 E470 T476E364-F472 WeakPolarHBondContact O-CE1 3.34Å; M365-F472 HydrophobicContact SD-CB 4.21Å; M365-F472 HydrophobicContact SD-CD1 3.83Å; M365-F472 HydrophobicContact SD-CG 4.38Å; D367-F472 HydrophobicContact CB-CE1 4.39Å; D367-F472 HydrophobicContact CB-CZ 4.24Å; Q368-F472 HydrophobicContact CB-CD1 4.22Å; Q368-F472 HydrophobicContact CB-CD2 3.95Å; Q368-F472 HydrophobicContact CB-CE1 3.94Å; Q368-F472 HydrophobicContact CB-CE2 3.64Å; Q368-F472 HydrophobicContact CB-CG 4.23Å; Q368-F472 HydrophobicContact CB-CZ 3.64Å; Q368-F472 HydrophobicContact CG-CD2 3.76Å; Q368-F472 HydrophobicContact CG-CE2 3.76Å; Q368-F472 HydrophobicContact CG-CG 4.29Å; Q368-F472 HydrophobicContact CG-CZ 4.29Å; M371-F472 HydrophobicContact SD-CE2 4.18Å; M371-F472 HydrophobicContact SD-CZ 3.73Å; T374-F472 HydrophobicContact CG2-CE2 4.48Å; I378-F472 HydrophobicContact CD1-CB 4.31Å; I378-F472 HydrophobicContact CD1-CD2 3.92Å; R468-F472 WeakPolarHBondContact O-CB 3.27Å; R468-F472 PolarHBondContact O-N 3.22Å; R468-F472 VanDerWaalsContact O-N 3.09Å; M469-F472 PolarHBondContact O-N 3.24Å; E470-F472 VanDerWaalsContact C-N 3.33Å; E470-F472 PolarHBondContact O-N 2.71Å; F472-T476 HydrophobicContact CD2-CG2 4.2Å; F472-T476 HydrophobicContact CE1-CG2 4.36Å; F472-T476 HydrophobicContact CE2-CG2 3.86Å; F472-T476 HydrophobicContact CZ-CG2 3.95Å; F472-T476 WeakPolarHBondContact O-CB 3.4Å; F472-T476 WeakPolarHBondContact O-CG2 3.48Å; F472-T476 PolarHBondContact O-N 2.85Å; F472-T476 PolarHBondContact O-OG1 3.02Å
473L98.2Very high97.3Very high0 Ų016.4 Ų16.40%09%0.088CC..Hα-helixtrans-70.4-44.1-173.9-64.7176.2000112.4E150 V153 P363 M365 M469 E470 T476 S477E150-L473 HydrophobicContact CG-CD1 4.09Å; V153-L473 HydrophobicContact CB-CD1 3.88Å; V153-L473 HydrophobicContact CG1-CB 3.76Å; V153-L473 HydrophobicContact CG1-CD1 3.64Å; V153-L473 HydrophobicContact CG1-CG 4.32Å; P363-L473 HydrophobicContact CB-CD2 4.3Å; P363-L473 WeakPolarHBondContact O-CD2 3.45Å; M365-L473 HydrophobicContact CG-CD1 4.18Å; M365-L473 HydrophobicContact CG-CD2 4.35Å; M365-L473 HydrophobicContact CG-CG 4.36Å; M365-L473 HydrophobicContact SD-CD1 4.18Å; M365-L473 HydrophobicContact SD-CD2 4.13Å; M365-L473 HydrophobicContact SD-CG 3.86Å; M469-L473 HydrophobicContact CG-CD1 3.63Å; M469-L473 HydrophobicContact CG-CG 4.39Å; M469-L473 WeakPolarHBondContact O-CB 3.14Å; M469-L473 WeakPolarHBondContact O-CG 3.25Å; M469-L473 PolarHBondContact O-N 3.21Å; E470-L473 PolarHBondContact O-N 3.38Å; L473-T476 PolarHBondContact O-OG1 3.17Å; L473-S477 WeakPolarHBondContact O-CB 3.49Å; L473-S477 PolarHBondContact O-N 2.9Å; L473-S477 PolarHBondContact O-OG 2.98Å
474F98.7Very high97.4Very high1 Ų115.6 Ų15.60%0.0048%0.08CC..Hα-helixtrans-66.2-44.8176.9-74.8-58.8000111.5V153 E156 A157 L160 A181 V182 V185 L314 E470 L478V153-F474 HydrophobicContact CG1-CD2 4.41Å; V153-F474 HydrophobicContact CG1-CE2 4.15Å; V153-F474 HydrophobicContact CG1-CZ 4.37Å; E156-F474 HydrophobicContact CB-CE1 4.36Å; E156-F474 HydrophobicContact CB-CZ 4.31Å; E156-F474 HydrophobicContact CG-CE1 4.5Å; E156-F474 HydrophobicContact CG-CZ 4.36Å; A157-F474 HydrophobicContact CB-CD1 3.71Å; A157-F474 HydrophobicContact CB-CE1 3.94Å; L160-F474 HydrophobicContact CD2-CD1 3.73Å; L160-F474 HydrophobicContact CD2-CE1 4.12Å; L160-F474 HydrophobicContact CD2-CG 4.49Å; A181-F474 HydrophobicContact CB-CE1 3.96Å; A181-F474 HydrophobicContact CB-CZ 4.07Å; V182-F474 HydrophobicContact CG2-CE2 4.19Å; V185-F474 HydrophobicContact CG2-CE2 3.92Å; V185-F474 HydrophobicContact CG2-CZ 3.71Å; L314-F474 HydrophobicContact CD1-CB 3.88Å; L314-F474 HydrophobicContact CD1-CD2 3.91Å; L314-F474 HydrophobicContact CD1-CG 4.11Å; L314-F474 HydrophobicContact CD2-CB 3.97Å; E470-F474 HydrophobicContact CB-CD2 3.95Å; E470-F474 HydrophobicContact CB-CE2 4.08Å; E470-F474 HydrophobicContact CG-CE2 4.15Å; E470-F474 VanDerWaalsContact O-CB 3.27Å; E470-F474 WeakPolarHBondContact O-CB 3.39Å; E470-F474 WeakPolarHBondContact O-CD2 3.44Å; E470-F474 PolarHBondContact O-N 3.34Å; F474-L478 VanDerWaalsContact O-CB 3.31Å; F474-L478 WeakPolarHBondContact O-CB 3.47Å; F474-L478 WeakPolarHBondContact O-CG 3.36Å; F474-L478 PolarHBondContact O-N 2.92Å
475F98.7Very high97.4Very high6 Ų614.8 Ų14.83%0.0268%0.08CC..Hα-helixtrans-66.6-44.7-176.9-171.1-103.2000112.1L314 M321 V349 T374 V377 I378 L471 L479L314-F475 HydrophobicContact CD2-CB 4.37Å; M321-F475 HydrophobicContact CE-CZ 4.17Å; M321-F475 HydrophobicContact CG-CE2 3.84Å; M321-F475 HydrophobicContact CG-CZ 3.67Å; M321-F475 HydrophobicContact SD-CZ 3.78Å; V349-F475 HydrophobicContact CG1-CE1 4.13Å; V349-F475 HydrophobicContact CG2-CE1 4.45Å; T374-F475 HydrophobicContact CG2-CD1 4.32Å; V377-F475 HydrophobicContact CG1-CE1 3.8Å; V377-F475 HydrophobicContact CG1-CZ 3.73Å; I378-F475 HydrophobicContact CD1-CB 4.35Å; I378-F475 HydrophobicContact CD1-CD1 4.02Å; I378-F475 HydrophobicContact CD1-CG 4.49Å; I378-F475 HydrophobicContact CG1-CB 4.42Å; I378-F475 HydrophobicContact CG1-CD1 3.72Å; I378-F475 HydrophobicContact CG1-CE1 4.16Å; I378-F475 HydrophobicContact CG1-CG 4.16Å; L471-F475 WeakPolarHBondContact O-CB 3.32Å; L471-F475 PolarHBondContact O-N 3Å; L471-F475 VanDerWaalsContact O-N 3.17Å; F475-L479 HydrophobicContact CD1-CD1 3.89Å; F475-L479 HydrophobicContact CD2-CD1 4.45Å; F475-L479 HydrophobicContact CE1-CD1 3.38Å; F475-L479 HydrophobicContact CE2-CD1 4Å; F475-L479 HydrophobicContact CG-CD1 4.41Å; F475-L479 HydrophobicContact CZ-CD1 3.45Å; F475-L479 VanDerWaalsContact CZ-CD1 3.45Å; F475-L479 PolarHBondContact O-N 3.05Å
476T98.5Very high97.4Very high0 Ų014.1 Ų14.10%07%0.074CC..Hα-helixtrans-66.5-44.2176.551.60000111.5I353 P363 M371 T374 F472 L473 L478 L479 Q480I353-T476 HydrophobicContact CD1-CG2 4.49Å; P363-T476 VanDerWaalsContact CB-OG1 3.26Å; P363-T476 WeakPolarHBondContact CB-OG1 3.25Å; P363-T476 WeakPolarHBondContact CG-OG1 3.33Å; M371-T476 HydrophobicContact CE-CG2 4.08Å; T374-T476 HydrophobicContact CG2-CG2 3.75Å; F472-T476 HydrophobicContact CD2-CG2 4.2Å; F472-T476 HydrophobicContact CE1-CG2 4.36Å; F472-T476 HydrophobicContact CE2-CG2 3.86Å; F472-T476 HydrophobicContact CZ-CG2 3.95Å; F472-T476 WeakPolarHBondContact O-CB 3.4Å; F472-T476 WeakPolarHBondContact O-CG2 3.48Å; F472-T476 PolarHBondContact O-N 2.85Å; F472-T476 PolarHBondContact O-OG1 3.02Å; L473-T476 PolarHBondContact O-OG1 3.17Å; T476-L478 VanDerWaalsContact C-N 3.35Å; T476-L478 PolarHBondContact O-N 3.09Å; T476-L479 PolarHBondContact O-N 3.32Å; T476-Q480 WeakPolarHBondContact O-CB 3.34Å; T476-Q480 PolarHBondContact O-N 3.22Å
477S98.6Very high97.3Very high7 Ų713.7 Ų13.75%0.0497%0.073CC..Hα-helixtrans-60.9-43.7178.4-58.80000111.8L473 Q480 H481L473-S477 WeakPolarHBondContact O-CB 3.49Å; L473-S477 PolarHBondContact O-N 2.9Å; L473-S477 PolarHBondContact O-OG 2.98Å; S477-Q480 PolarHBondContact O-N 3Å; S477-H481 PolarHBondContact O-CD2 2.61Å; S477-H481 VanDerWaalsContact O-CD2 3.27Å; S477-H481 PolarHBondContact O-N 3.17Å
478L98.6Very high97Very high2 Ų218.5 Ų18.51%0.0111%0.112CC..Hα-helixtrans-62.8-46.4177.2-75.3172.7000111.9L160 F164 L178 L318 F474 T476 H481 F482 F484L160-L478 HydrophobicContact CD2-CD1 4.07Å; L160-L478 HydrophobicContact CD2-CD2 4.19Å; L160-L478 HydrophobicContact CD2-CG 4.32Å; L160-L478 HydrophobicContact CG-CD2 4.18Å; F164-L478 HydrophobicContact CD1-CD2 3.82Å; F164-L478 HydrophobicContact CD2-CD2 4.47Å; F164-L478 HydrophobicContact CE1-CD2 3.9Å; F164-L478 HydrophobicContact CG-CD2 4.14Å; F164-L478 HydrophobicContact CZ-CD2 4.27Å; L178-L478 HydrophobicContact CD2-CD1 4.31Å; L318-L478 HydrophobicContact CD1-CD1 4.39Å; L318-L478 HydrophobicContact CD2-CD1 4.2Å; F474-L478 VanDerWaalsContact O-CB 3.31Å; F474-L478 WeakPolarHBondContact O-CB 3.47Å; F474-L478 WeakPolarHBondContact O-CG 3.36Å; F474-L478 PolarHBondContact O-N 2.92Å; T476-L478 VanDerWaalsContact C-N 3.35Å; T476-L478 PolarHBondContact O-N 3.09Å; L478-H481 PolarHBondContact O-N 3.39Å; L478-F482 WeakPolarHBondContact O-CB 3.26Å; L478-F482 WeakPolarHBondContact O-CD2 3.3Å; L478-F482 PolarHBondContact O-N 3.11Å; L478-F484 HydrophobicContact CB-CE2 4.09Å; L478-F484 HydrophobicContact CB-CZ 4.01Å; L478-F484 HydrophobicContact CD2-CZ 4.31Å
479L98.2Very high96.7Very high0 Ų019.8 Ų19.80%015%0.145CC..Hα-helixtrans-77-23.1-179.6-71.7177.1000113.9M321 Q328 V349 Q350 I353 F475 T476 F484 R515M321-L479 HydrophobicContact CG-CD1 4.07Å; M321-L479 HydrophobicContact CG-CD2 4.31Å; M321-L479 HydrophobicContact SD-CD1 4.08Å; Q328-L479 HydrophobicContact CG-CD2 3.68Å; V349-L479 HydrophobicContact CB-CD1 4.09Å; V349-L479 HydrophobicContact CG1-CB 4.33Å; V349-L479 HydrophobicContact CG1-CD1 3.42Å; V349-L479 VanDerWaalsContact CG1-CD1 3.42Å; Q350-L479 HydrophobicContact CG-CB 4.4Å; Q350-L479 WeakPolarHBondContact CG-O 3.44Å; I353-L479 HydrophobicContact CD1-CB 3.83Å; F475-L479 HydrophobicContact CD1-CD1 3.89Å; F475-L479 HydrophobicContact CD2-CD1 4.45Å; F475-L479 HydrophobicContact CE1-CD1 3.38Å; F475-L479 HydrophobicContact CE2-CD1 4Å; F475-L479 HydrophobicContact CG-CD1 4.41Å; F475-L479 HydrophobicContact CZ-CD1 3.45Å; F475-L479 VanDerWaalsContact CZ-CD1 3.45Å; F475-L479 PolarHBondContact O-N 3.05Å; T476-L479 PolarHBondContact O-N 3.32Å; L479-F484 HydrophobicContact CD2-CD2 3.56Å; L479-F484 HydrophobicContact CD2-CE2 3.75Å; L479-F484 HydrophobicContact CG-CE2 4.41Å; L479-R515 VanDerWaalsContact O-CD 3.26Å; L479-R515 WeakPolarHBondContact O-CD 3.37Å; L479-R515 PolarHBondContact O-NH1 2.95Å
480Q97.9Very high96.5Very high1 Ų122.5 Ų22.51%0.00516%0.158CC..Hα-helixtrans-63.1-44171.6-176.4-177.342.100110.6I353 G358 R361 T476 S477 R515I353-Q480 HydrophobicContact CG2-CB 3.8Å; I353-Q480 HydrophobicContact CG2-CG 3.83Å; G358-Q480 PolarHBondContact O-NE2 2.93Å; R361-Q480 PolarHBondContact O-NE2 3.4Å; T476-Q480 WeakPolarHBondContact O-CB 3.34Å; T476-Q480 PolarHBondContact O-N 3.22Å; S477-Q480 PolarHBondContact O-N 3Å; Q480-R515 WeakPolarHBondContact O-CD 3.26Å; Q480-R515 PolarHBondContact O-NH1 3.37Å; Q480-R515 VanDerWaalsContact O-NH1 3.07Å
481H97.5Very high96.3Very high73 Ų7327.7 Ų27.734%0.33819%0.192SC..Hα-helixtrans-96.8-23.9-173.8-68.6-60.8000114.8S477 L478 P514 R515S477-H481 PolarHBondContact O-CD2 2.61Å; S477-H481 VanDerWaalsContact O-CD2 3.27Å; S477-H481 PolarHBondContact O-N 3.17Å; L478-H481 PolarHBondContact O-N 3.39Å; H481-P514 CarbonylContact O-C 3.05Å; H481-P514 WeakPolarHBondContact O-CA 3.16Å; H481-R515 PolarHBondContact O-N 3.36Å
482F97.9Very high96Very high7 Ų735.7 Ų35.73%0.03122%0.221CC..EExtended strand (participates in β ladder)trans-126.7145-174.5-58.9-80.2000113.4C161 F164 A165 Q350 L478 F484 A512 V513 P514C161-F482 HydrophobicContact CB-CE2 3.96Å; C161-F482 VanDerWaalsContact O-CZ 3.24Å; C161-F482 WeakPolarHBondContact O-CZ 3.32Å; F164-F482 HydrophobicContact CB-CD2 4.4Å; F164-F482 HydrophobicContact CB-CE1 4.32Å; F164-F482 HydrophobicContact CB-CE2 3.8Å; F164-F482 HydrophobicContact CB-CZ 3.75Å; A165-F482 HydrophobicContact CB-CE1 4.22Å; A165-F482 HydrophobicContact CB-CZ 4Å; Q350-F482 PolarHBondContact NE2-O 3.33Å; L478-F482 WeakPolarHBondContact O-CB 3.26Å; L478-F482 WeakPolarHBondContact O-CD2 3.3Å; L478-F482 PolarHBondContact O-N 3.11Å; F482-F484 HydrophobicContact CB-CE1 4.02Å; F482-F484 HydrophobicContact CB-CE2 3.99Å; F482-F484 HydrophobicContact CB-CZ 3.68Å; F482-F484 HydrophobicContact CD2-CZ 4.4Å; F482-F484 HydrophobicContact CG-CZ 4.33Å; F482-A512 HydrophobicContact CB-CB 4.37Å; F482-A512 HydrophobicContact CD1-CB 3.95Å; F482-A512 HydrophobicContact CG-CB 4.23Å; F482-V513 CarbonylContact C-O 3.51Å; F482-V513 WeakPolarHBondContact CA-O 3.36Å; F482-P514 HydrophobicContact CD1-CG 4.47Å; F482-P514 HydrophobicContact CE1-CG 4.21Å
483S97.1Very high95.7Very high20 Ų2036.6 Ų36.614%0.1423%0.227CC..EExtended strand (participates in β ladder)trans-99.2114.1161.9-83.10000109.2Q350 V513Q350-S483 PolarHBondContact NE2-OG 2.99Å; S483-V513 PolarHBondContact N-O 2.84Å; S483-V513 PolarHBondContact O-N 3Å; S483-V513 VanDerWaalsContact O-N 3.08Å
484F97.6Very high95.3Very high0 Ų039.3 Ų39.30%025%0.247CC..EExtended strand (participates in β ladder)trans-90143.6178.8-59.4-74.7000111.3F164 L318 I322 L325 Q328 R329 L478 L479 F482 L510 C511 A512F164-F484 AromaticContact CD1-CE1 3.69Å; F164-F484 HydrophobicContact CD1-CE1 3.69Å; F164-F484 HydrophobicContact CD1-CZ 4.02Å; F164-F484 AromaticContact CE1-CE1 3.59Å; F164-F484 HydrophobicContact CE1-CE1 3.59Å; F164-F484 AromaticContact CE1-CZ 3.94Å; F164-F484 HydrophobicContact CE1-CZ 3.94Å; L318-F484 HydrophobicContact CD2-CD2 4.02Å; L318-F484 HydrophobicContact CD2-CE1 4.39Å; L318-F484 HydrophobicContact CD2-CE2 3.7Å; L318-F484 HydrophobicContact CD2-CG 4.49Å; L318-F484 HydrophobicContact CD2-CZ 3.91Å; I322-F484 HydrophobicContact CG2-CB 3.57Å; L325-F484 WeakPolarHBondContact CD2-O 3.41Å; Q328-F484 PolarHBondContact NE2-O 2.98Å; Q328-F484 PolarHBondContact OE1-O 3.08Å; R329-F484 PolarHBondContact NH2-O 3.06Å; L478-F484 HydrophobicContact CB-CE2 4.09Å; L478-F484 HydrophobicContact CB-CZ 4.01Å; L478-F484 HydrophobicContact CD2-CZ 4.31Å; L479-F484 HydrophobicContact CD2-CD2 3.56Å; L479-F484 HydrophobicContact CD2-CE2 3.75Å; L479-F484 HydrophobicContact CG-CE2 4.41Å; F482-F484 HydrophobicContact CB-CE1 4.02Å; F482-F484 HydrophobicContact CB-CE2 3.99Å; F482-F484 HydrophobicContact CB-CZ 3.68Å; F482-F484 HydrophobicContact CD2-CZ 4.4Å; F482-F484 HydrophobicContact CG-CZ 4.33Å; F484-L510 HydrophobicContact CD1-CD1 3.85Å; F484-L510 HydrophobicContact CD1-CD2 3.87Å; F484-L510 HydrophobicContact CD1-CG 4.45Å; F484-L510 HydrophobicContact CE1-CD1 4.24Å; F484-L510 HydrophobicContact CE1-CD2 4.46Å; F484-L510 HydrophobicContact CG-CD2 4.45Å; F484-C511 VanDerWaalsContact CA-O 3.3Å; F484-C511 WeakPolarHBondContact CA-O 3.35Å; F484-A512 HydrophobicContact CD1-CB 3.88Å; F484-A512 HydrophobicContact CE1-CB 3.61Å
485S96.3Very high94.6Very high32 Ų3244.7 Ų44.722%0.22427%0.271CS..EExtended strand (participates in β ladder)trans-151.1162.2171.958.90000112.2C511S485-C511 PolarHBondContact N-O 2.68Å; S485-C511 VanDerWaalsContact N-O 3.12Å; S485-C511 PolarHBondContact O-N 3.44Å
486V95.3Very high93.9Very high41 Ų4147 Ų4725%0.24829%0.288CS..PPolyproline II helixtrans-61.7137.4165.3-176.80000108.7I322 Q490 P493I322-V486 HydrophobicContact CB-CG2 4.23Å; I322-V486 HydrophobicContact CD1-CG2 4.22Å; I322-V486 HydrophobicContact CG1-CG2 4.33Å; V486-Q490 HydrophobicContact CG1-CB 4.49Å; V486-P493 HydrophobicContact CG2-CG 4.37Å
487A91.9Very high93.3Very high3 Ų350.5 Ų50.53%0.02530%0.301CS..PPolyproline II helixtrans-61.1135.3176.300000111.2P171 G489 Q490P171-A487 HydrophobicContact CB-CB 3.79Å; P171-A487 HydrophobicContact CG-CB 3.54Å; A487-G489 PolarHBondContact O-N 3.5Å; A487-Q490 HydrophobicContact CB-CB 4.35Å; A487-Q490 HydrophobicContact CB-CG 3.93Å; A487-Q490 PolarHBondContact O-N 3.11Å; A487-Q490 VanDerWaalsContact O-N 3.1Å
488A89.4Confident92.6Very high109 Ų10953.3 Ų53.390%0.90132%0.318SS*.THydrogen-bonded Turntrans-58131.4179.700000110.9Q490A488-Q490 VanDerWaalsContact C-N 3.31Å; A488-Q490 PolarHBondContact O-N 2.86Å
489G90.5Very high91.8Very high91 Ų9155.4 Ų55.494%0.93833%0.331SS*.THydrogen-bonded Turntrans83.7-7.1-178.700000115.5A487A487-G489 PolarHBondContact O-N 3.5Å
490Q91Very high90.9Very high70 Ų7058.3 Ų58.333%0.32735%0.351SS..SBendtrans-86.2148.6172.4-67.2-166.7300111.7V486 A487 A488 E509V486-Q490 HydrophobicContact CG1-CB 4.49Å; A487-Q490 HydrophobicContact CB-CB 4.35Å; A487-Q490 HydrophobicContact CB-CG 3.93Å; A487-Q490 PolarHBondContact O-N 3.11Å; A487-Q490 VanDerWaalsContact O-N 3.1Å; A488-Q490 VanDerWaalsContact C-N 3.31Å; A488-Q490 PolarHBondContact O-N 2.86Å; Q490-E509 PolarHBondContact NE2-OE2 3.42Å
491P93Very high90.1Very high110 Ų11062 Ų6271%0.71437%0.367SS*.PPolyproline II helixtrans-62150.3172.528-34.9000110.4P493P491-P493 VanDerWaalsContact O-CD 3.31Å; P491-P493 WeakPolarHBondContact O-CD 3.04Å; P491-P493 VanDerWaalsContact O-N 3.16Å
492R93.1Very high89.8Confident175 Ų17558.9 Ų58.966%0.6635%0.353SS*.PPolyproline II helixtrans-55.1122.3171.9-175.3178.1-173.2178.22.5108.8L323L323-R492 HydrophobicContact CD2-CG 3.53Å; L323-R492 PolarHBondContact O-NH2 2.84Å
493P92.9Very high89.5Confident20 Ų2058.6 Ų58.613%0.1335%0.352CS..PPolyproline II helixtrans-56.6145.9179-28.136.3000112L319 I322 L323 V486 P491L319-P493 HydrophobicContact CD1-CB 3.75Å; L319-P493 HydrophobicContact CD1-CG 4.46Å; I322-P493 HydrophobicContact CD1-CG 4.1Å; L323-P493 HydrophobicContact CD2-CB 4.48Å; L323-P493 WeakPolarHBondContact CD2-O 3.3Å; V486-P493 HydrophobicContact CG2-CG 4.37Å; P491-P493 VanDerWaalsContact O-CD 3.31Å; P491-P493 WeakPolarHBondContact O-CD 3.04Å; P491-P493 VanDerWaalsContact O-N 3.16Å
494S89.7Confident89.3Confident58 Ų5859.8 Ų59.841%0.40636%0.358SS..PPolyproline II helixtrans-74.1143.3175.2-174.80000110.6S496S494-S496 VanDerWaalsContact CB-OG 3.28Å; S494-S496 WeakPolarHBondContact CB-OG 3.37Å; S494-S496 PolarHBondContact O-N 3.46Å; S494-S496 WeakPolarHBondContact OG-CB 3.3Å; S494-S496 PolarHBondContact OG-N 2.94Å; S494-S496 PolarHBondContact OG-OG 3.35Å
495H83.2Confident89.2Confident114 Ų11460 Ų6053%0.52836%0.36SS..  trans-87.815.7165.458.9-84.2000111.7L323 F384L323-H495 HydrophobicContact CD1-CB 4.32Å; F384-H495 HydrophobicContact CE1-CB 4.32Å; F384-H495 HydrophobicContact CZ-CB 4.28Å
496S84.5Confident89.1Confident54 Ų5459.6 Ų59.638%0.37836%0.357SS..  trans-64.9137.5175.349.70000111.3S494 S506S494-S496 VanDerWaalsContact CB-OG 3.28Å; S494-S496 WeakPolarHBondContact CB-OG 3.37Å; S494-S496 PolarHBondContact O-N 3.46Å; S494-S496 WeakPolarHBondContact OG-CB 3.3Å; S494-S496 PolarHBondContact OG-N 2.94Å; S494-S496 PolarHBondContact OG-OG 3.35Å; S496-S506 PolarHBondContact O-N 3.29Å; S496-S506 PolarHBondContact O-OG 2.91Å; S496-S506 PolarHBondContact OG-OG 2.97Å
497R85.3Confident89Confident74 Ų7462.6 Ų62.628%0.27938%0.377SS..EExtended strand (participates in β ladder)trans-84.9124.6178.4-68178.1-170.8173.814.3109.5W316 F384 D386 V499 V503W316-R497 HydrophobicContact CH2-CG 3.89Å; W316-R497 HydrophobicContact CZ2-CG 3.94Å; F384-R497 PolarHBondContact O-NH2 3.38Å; F384-R497 VanDerWaalsContact O-NH2 3.15Å; D386-R497 IonicContact OD2-CZ 2.73Å; D386-R497 IonicContact OD2-NH1 2.97Å; D386-R497 PolarHBondContact OD2-NH1 2.84Å; R497-V499 HydrophobicContact CB-CG2 4.43Å; R497-V499 PolarHBondContact O-N 3.27Å; R497-V503 HydrophobicContact CB-CG1 3.53Å; R497-V503 HydrophobicContact CG-CG1 3.64Å
498V85Confident89.2Confident65 Ų6562.9 Ų62.939%0.39438%0.378SS..EExtended strand (participates in β ladder)trans-83.3104166.6-179.10000106.8S500 V503 T504V498-S500 PolarHBondContact O-N 3.04Å; V498-V503 WeakPolarHBondContact O-CA 3.48Å; V498-T504 PolarHBondContact N-O 3.42Å; V498-T504 PolarHBondContact O-N 2.9Å
499V79.8Confident89.6Confident47 Ų4760.3 Ų60.329%0.28535%0.347SS..  trans-80.1117.5-174-178.30000109.7P55 R497P55-V499 HydrophobicContact CG-CG1 4.29Å; R497-V499 HydrophobicContact CB-CG2 4.43Å; R497-V499 PolarHBondContact O-N 3.27Å
500S79.6Confident89.9Confident60 Ų6056 Ų5642%0.4230%0.302SS..SBendtrans-139.2-158.216582.10000108.4V498 L502V498-S500 PolarHBondContact O-N 3.04Å; S500-L502 PolarHBondContact O-N 3.07Å; S500-L502 PolarHBondContact OG-N 3.33Å; S500-L502 PolarHBondContact OG-O 3.23Å
501F82.1Confident90.2Very high80 Ų8053.4 Ų53.435%0.35129%0.292SS..SBendtrans-55.7-39.1167176.6-100.3000111.6L213 V392L213-F501 HydrophobicContact CD1-CD1 3.98Å; L213-F501 HydrophobicContact CD1-CE1 4.48Å; V392-F501 HydrophobicContact CG2-CZ 4.23Å
502L89.9Confident90.4Very high6 Ų648.2 Ų48.23%0.03126%0.258CS..SBendtrans-109.4135.3167.1-69.8179.7000110.7L213 V308 T309 I387 V388 S500 T504L213-L502 HydrophobicContact CD2-CD1 3.78Å; L213-L502 HydrophobicContact CD2-CG 4.37Å; V308-L502 HydrophobicContact CB-CD1 3.76Å; V308-L502 HydrophobicContact CG2-CD1 3.25Å; T309-L502 HydrophobicContact CG2-CD2 4.43Å; I387-L502 CarbonylContact O-C 3.59Å; I387-L502 VanDerWaalsContact O-CA 3.3Å; I387-L502 WeakPolarHBondContact O-CA 3.41Å; I387-L502 WeakPolarHBondContact O-CD2 3.21Å; V388-L502 HydrophobicContact CG2-CD2 3.66Å; S500-L502 PolarHBondContact O-N 3.07Å; S500-L502 PolarHBondContact OG-N 3.33Å; S500-L502 PolarHBondContact OG-O 3.23Å; L502-T504 PolarHBondContact O-N 2.95Å
503V92.7Very high90.6Very high2 Ų243.3 Ų43.31%0.01225%0.247CC..  trans-87.3110174.8171.30000109.5T312 W316 I387 P389 R497 V498T312-V503 WeakPolarHBondContact CG2-O 3.13Å; W316-V503 HydrophobicContact CZ2-CG1 4.05Å; W316-V503 PolarHBondContact NE1-O 2.86Å; W316-V503 VanDerWaalsContact NE1-O 3.16Å; I387-V503 PolarHBondContact O-N 3.24Å; P389-V503 HydrophobicContact CG-CG2 3.66Å; R497-V503 HydrophobicContact CB-CG1 3.53Å; R497-V503 HydrophobicContact CG-CG1 3.64Å; V498-V503 WeakPolarHBondContact O-CA 3.48Å
504T93.5Very high90.7Very high45 Ų4546.4 Ų46.428%0.27627%0.267SS..EExtended strand (participates in β ladder)trans-99.6154.8175.458.50000110.7T312 V498 L502T312-T504 HydrophobicContact CG2-CG2 3.83Å; V498-T504 PolarHBondContact N-O 3.42Å; V498-T504 PolarHBondContact O-N 2.9Å; L502-T504 PolarHBondContact O-N 2.95Å
505P94.8Very high91Very high5 Ų548.5 Ų48.53%0.03227%0.267CS..EExtended strand (participates in β ladder)trans-64149.6167.727.5-32.3000110A315 W316 L319 Y508A315-P505 HydrophobicContact CB-CG 4.07Å; W316-P505 HydrophobicContact CD2-CB 4.06Å; W316-P505 HydrophobicContact CD2-CG 4.44Å; W316-P505 HydrophobicContact CE3-CB 4.23Å; W316-P505 HydrophobicContact CG-CG 4.48Å; W316-P505 HydrophobicContact CH2-CB 4.32Å; W316-P505 HydrophobicContact CZ2-CB 4.16Å; W316-P505 HydrophobicContact CZ3-CB 4.36Å; L319-P505 HydrophobicContact CD2-CB 3.52Å; P505-Y508 HydrophobicContact CB-CD1 4.43Å; P505-Y508 HydrophobicContact CB-CE1 4.26Å; P505-Y508 HydrophobicContact CG-CE1 4.06Å
506S93.7Very high91.3Very high22 Ų2245.3 Ų45.315%0.15425%0.254CS..PPolyproline II helixtrans-56.8143.7169.3-59.30000110S496 Y508S496-S506 PolarHBondContact O-N 3.29Å; S496-S506 PolarHBondContact O-OG 2.91Å; S496-S506 PolarHBondContact OG-OG 2.97Å; S506-Y508 WeakPolarHBondContact O-CD1 3.04Å; S506-Y508 PolarHBondContact O-N 3.32Å
507P94.1Very high91.7Very high105 Ų10544.8 Ų44.868%0.68225%0.247SC*.PPolyproline II helixtrans-53.2129.8-177.9-27.534.6000112.1
508Y95.9Very high92.1Very high9 Ų943.2 Ų43.24%0.03525%0.245CC..  trans-143.2156.6-179.572.3-86.9000110.7P174 A315 L318 L319 I322 P505 S506 L510P174-Y508 HydrophobicContact CG-CE2 3.98Å; A315-Y508 PolarHBondContact O-OH 3.03Å; L318-Y508 WeakPolarHBondContact CB-OH 3.46Å; L319-Y508 HydrophobicContact CB-CD1 4.22Å; L319-Y508 HydrophobicContact CB-CE1 3.69Å; L319-Y508 HydrophobicContact CB-CE2 4.26Å; L319-Y508 HydrophobicContact CD1-CD1 3.98Å; L319-Y508 HydrophobicContact CD1-CD2 4.19Å; L319-Y508 HydrophobicContact CD1-CE1 4.31Å; L319-Y508 HydrophobicContact CD1-CG 3.92Å; L319-Y508 HydrophobicContact CD2-CD1 4.37Å; L319-Y508 HydrophobicContact CD2-CE1 4.44Å; L319-Y508 HydrophobicContact CG-CD1 4.42Å; L319-Y508 HydrophobicContact CG-CE1 4.36Å; L319-Y508 PolarHBondContact N-OH 2.92Å; I322-Y508 HydrophobicContact CD1-CD2 3.72Å; I322-Y508 HydrophobicContact CD1-CE2 4Å; P505-Y508 HydrophobicContact CB-CD1 4.43Å; P505-Y508 HydrophobicContact CB-CE1 4.26Å; P505-Y508 HydrophobicContact CG-CE1 4.06Å; S506-Y508 WeakPolarHBondContact O-CD1 3.04Å; S506-Y508 PolarHBondContact O-N 3.32Å; Y508-L510 HydrophobicContact CE2-CB 4.45Å; Y508-L510 HydrophobicContact CE2-CD2 3.97Å; Y508-L510 HydrophobicContact CE2-CG 4.29Å
509E96.8Very high92.5Very high55 Ų5541.9 Ų41.926%0.25724%0.237SC..  trans-111.9151.5170.6-65-178.1143.300109.7P171 F172 R173 Q490P171-E509 HydrophobicContact CB-CB 4.3Å; F172-E509 VanDerWaalsContact O-CA 3.29Å; F172-E509 WeakPolarHBondContact O-CA 3.48Å; R173-E509 HydrophobicContact CG-CG 3.75Å; Q490-E509 PolarHBondContact NE2-OE2 3.42Å
510L97.3Very high93.3Very high0 Ų041.6 Ų41.60%023%0.234CC..BIsolated β-bridgetrans-134158.1172.757.367.9000110.8P171 F172 P174 L318 I322 F484 Y508 A512P171-L510 WeakPolarHBondContact CA-O 3.49Å; F172-L510 HydrophobicContact CD1-CD1 4.19Å; F172-L510 HydrophobicContact CE1-CD1 3.53Å; F172-L510 HydrophobicContact CE2-CD1 4.49Å; F172-L510 HydrophobicContact CZ-CD1 3.71Å; F172-L510 PolarHBondContact N-O 2.89Å; F172-L510 VanDerWaalsContact N-O 3.11Å; F172-L510 PolarHBondContact O-N 2.61Å; P174-L510 HydrophobicContact CB-CD2 4.49Å; P174-L510 HydrophobicContact CG-CD2 4.07Å; P174-L510 HydrophobicContact CG-CG 4.28Å; L318-L510 HydrophobicContact CB-CD2 3.84Å; L318-L510 HydrophobicContact CD1-CD2 4.09Å; I322-L510 HydrophobicContact CD1-CB 4.22Å; I322-L510 HydrophobicContact CG2-CB 4.04Å; I322-L510 HydrophobicContact CG2-CD2 4.38Å; F484-L510 HydrophobicContact CD1-CD1 3.85Å; F484-L510 HydrophobicContact CD1-CD2 3.87Å; F484-L510 HydrophobicContact CD1-CG 4.45Å; F484-L510 HydrophobicContact CE1-CD1 4.24Å; F484-L510 HydrophobicContact CE1-CD2 4.46Å; F484-L510 HydrophobicContact CG-CD2 4.45Å; Y508-L510 HydrophobicContact CE2-CB 4.45Å; Y508-L510 HydrophobicContact CE2-CD2 3.97Å; Y508-L510 HydrophobicContact CE2-CG 4.29Å; L510-A512 HydrophobicContact CD1-CB 4.38Å
511C97.6Very high94.2Very high15 Ų1540.3 Ų40.310%0.10122%0.221CC..EExtended strand (participates in β ladder)trans-97.6132.9164-700000108.4G169 F484 S485G169-C511 PolarHBondContact O-SG 2.64Å; F484-C511 VanDerWaalsContact CA-O 3.3Å; F484-C511 WeakPolarHBondContact CA-O 3.35Å; S485-C511 PolarHBondContact N-O 2.68Å; S485-C511 VanDerWaalsContact N-O 3.12Å; S485-C511 PolarHBondContact O-N 3.44Å
512A97.6Very high95.1Very high1 Ų137.5 Ų37.51%0.00821%0.212CC..EExtended strand (participates in β ladder)trans-109.9109.1170.500000108.6F164 G169 F172 F482 F484 L510F164-A512 HydrophobicContact CD1-CB 4.08Å; G169-A512 WeakPolarHBondContact CA-O 3.28Å; F172-A512 HydrophobicContact CE1-CB 4.01Å; F172-A512 HydrophobicContact CZ-CB 4.41Å; F482-A512 HydrophobicContact CB-CB 4.37Å; F482-A512 HydrophobicContact CD1-CB 3.95Å; F482-A512 HydrophobicContact CG-CB 4.23Å; F484-A512 HydrophobicContact CD1-CB 3.88Å; F484-A512 HydrophobicContact CE1-CB 3.61Å; L510-A512 HydrophobicContact CD1-CB 4.38Å
513V96.6Very high95.5Very high72 Ų7239.9 Ų39.944%0.43623%0.226SC..EExtended strand (participates in β ladder)trans-107.8127.1179.4-176.60000108.5F482 S483F482-V513 CarbonylContact C-O 3.51Å; F482-V513 WeakPolarHBondContact CA-O 3.36Å; S483-V513 PolarHBondContact N-O 2.84Å; S483-V513 PolarHBondContact O-N 3Å; S483-V513 VanDerWaalsContact O-N 3.08Å
514P96Very high95.7Very high85 Ų8543.1 Ų43.155%0.55224%0.244SC*.EExtended strand (participates in β ladder)trans-53145.1175.7-27.235.4000112.8H481 F482H481-P514 CarbonylContact O-C 3.05Å; H481-P514 WeakPolarHBondContact O-CA 3.16Å; F482-P514 HydrophobicContact CD1-CG 4.47Å; F482-P514 HydrophobicContact CE1-CG 4.21Å
515R94.2Very high95.9Very high103 Ų10342.9 Ų42.939%0.38924%0.241SC..  trans-88.30178.1-70.5179.370.8-139.7-1.9113.3D354 L479 Q480 H481D354-R515 IonicContact OD1-CZ 2.91Å; D354-R515 IonicContact OD1-NH1 3.24Å; D354-R515 PolarHBondContact OD1-NH1 3.19Å; D354-R515 IonicContact OD1-NH2 3.64Å; D354-R515 PolarHBondContact OD1-NH2 3.22Å; D354-R515 IonicContact OD2-CZ 2.98Å; D354-R515 IonicContact OD2-NH2 2.7Å; D354-R515 PolarHBondContact OD2-NH2 3Å; L479-R515 VanDerWaalsContact O-CD 3.26Å; L479-R515 WeakPolarHBondContact O-CD 3.37Å; L479-R515 PolarHBondContact O-NH1 2.95Å; Q480-R515 WeakPolarHBondContact O-CD 3.26Å; Q480-R515 PolarHBondContact O-NH1 3.37Å; Q480-R515 VanDerWaalsContact O-NH1 3.07Å; H481-R515 PolarHBondContact O-N 3.36Å

Retrieved 515 of 515 residues in 247.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).