A0A087WQR4_MOUSE Loading...

Phosphoinositide-3-kinase regulatory subunit 4

AlphaFold DB , UniProt , Accession A0A087WQR4, Species MOUSE (Mus musculus, Mouse), Gene Pik3r4, Length 208 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
1M64.6Low79.9Confident140 Ų14093.9 Ų93.969%0.6949%0.491SS*.  0-690-60-55.1-87.400111.5Q3 L4 L6 L7M1-Q3 PolarHBondContact O-N 3.14Å; M1-L4 PolarHBondContact O-N 3.23Å; M1-L4 VanDerWaalsContact O-N 3.15Å; M1-L6 HydrophobicContact CE-CB 4.42Å; M1-L6 HydrophobicContact CE-CD1 4.43Å; M1-L6 PolarHBondContact O-N 3.42Å; M1-L6 HydrophobicContact SD-CD1 3.97Å; M1-L7 HydrophobicContact CB-CD1 4.28Å; M1-L7 HydrophobicContact CB-CD2 4.46Å; M1-L7 HydrophobicContact CB-CG 4.24Å
2C74.5Confident80.7Confident16 Ų1686.8 Ų86.811%0.10846%0.455CS..G310 helixtrans-57.8-47.1-179.7-56.90000113.8L4 G5 L7 F37 V40 Q44C2-L4 PolarHBondContact O-N 3.23Å; C2-L4 VanDerWaalsContact O-N 3.13Å; C2-G5 PolarHBondContact O-N 3.3Å; C2-L7 WeakPolarHBondContact SG-CD1 3.49Å; C2-F37 WeakPolarHBondContact SG-CE2 3.45Å; C2-V40 HydrophobicContact CB-CG1 3.78Å; C2-Q44 WeakPolarHBondContact O-CG 3.29Å
3Q79.1Confident81.4Confident148 Ų14882.8 Ų82.869%0.69243%0.43SS*.G310 helixtrans-61.7-24.2-179.4-171.4175.8-3.200113.5M1 G5 V40 Q44M1-Q3 PolarHBondContact O-N 3.14Å; Q3-G5 VanDerWaalsContact C-N 3.32Å; Q3-V40 HydrophobicContact CB-CG1 3.82Å; Q3-Q44 PolarHBondContact O-NE2 3.01Å
4L79.9Confident82.1Confident126 Ų12684.9 Ų84.966%0.6644%0.437SS*.G310 helixtrans-902.1179.6-61.4175000112.2M1 C2 L6M1-L4 PolarHBondContact O-N 3.23Å; M1-L4 VanDerWaalsContact O-N 3.15Å; C2-L4 PolarHBondContact O-N 3.23Å; C2-L4 VanDerWaalsContact O-N 3.13Å; L4-L6 HydrophobicContact CB-CD1 3.79Å; L4-L6 HydrophobicContact CB-CG 3.68Å; L4-L6 HydrophobicContact CD1-CD1 3.84Å; L4-L6 HydrophobicContact CG-CD1 4.49Å; L4-L6 PolarHBondContact O-N 3.45Å
5G79.1Confident82.8Confident44 Ų4485.1 Ų85.145%0.45443%0.434SS..THydrogen-bonded Turntrans65.416.2-177.300000114.3C2 Q3 L7C2-G5 PolarHBondContact O-N 3.3Å; Q3-G5 VanDerWaalsContact C-N 3.32Å; G5-L7 VanDerWaalsContact C-N 3.25Å; G5-L7 PolarHBondContact O-N 3.17Å
6L81.6Confident83.5Confident109 Ų10979.9 Ų79.957%0.57141%0.407SS*.  trans-79.3-5.8-172.9-63.2175.7000113.8M1 L4M1-L6 HydrophobicContact CE-CB 4.42Å; M1-L6 HydrophobicContact CE-CD1 4.43Å; M1-L6 PolarHBondContact O-N 3.42Å; M1-L6 HydrophobicContact SD-CD1 3.97Å; L4-L6 HydrophobicContact CB-CD1 3.79Å; L4-L6 HydrophobicContact CB-CG 3.68Å; L4-L6 HydrophobicContact CD1-CD1 3.84Å; L4-L6 HydrophobicContact CG-CD1 4.49Å; L4-L6 PolarHBondContact O-N 3.45Å
7L81.4Confident84.2Confident46 Ų4677.9 Ų77.924%0.24140%0.402CS..SBendtrans-104.6136.4-179.3-62.5179.4000110.2M1 C2 G5 V12 F15M1-L7 HydrophobicContact CB-CD1 4.28Å; M1-L7 HydrophobicContact CB-CD2 4.46Å; M1-L7 HydrophobicContact CB-CG 4.24Å; C2-L7 WeakPolarHBondContact SG-CD1 3.49Å; G5-L7 VanDerWaalsContact C-N 3.25Å; G5-L7 PolarHBondContact O-N 3.17Å; L7-V12 HydrophobicContact CB-CG2 3.85Å; L7-F15 HydrophobicContact CD1-CD2 3.95Å; L7-F15 HydrophobicContact CD1-CE2 3.87Å
8Q83.6Confident84.8Confident137 Ų13779.6 Ų79.664%0.6441%0.412SS*.  trans-66.8147.3171.9-60.1-179.9-9.600110.5P10 H11 V12Q8-P10 VanDerWaalsContact C-CD 3.42Å; Q8-H11 PolarHBondContact O-N 3.13Å; Q8-H11 VanDerWaalsContact O-N 3.14Å; Q8-V12 PolarHBondContact O-N 2.77Å
9K81.1Confident85.5Confident110 Ų11077.9 Ų77.948%0.47840%0.403SS..Hα-helixtrans-50.2-41.4-176.8-67.3-171174-168.80115.1H11 V12 Y13 D49K9-H11 PolarHBondContact O-N 3.33Å; K9-V12 WeakPolarHBondContact O-CB 3.49Å; K9-V12 PolarHBondContact O-N 3.45Å; K9-Y13 HydrophobicContact CB-CE2 4.26Å; K9-Y13 WeakPolarHBondContact O-CD2 3.38Å; K9-Y13 PolarHBondContact O-N 3.15Å; K9-D49 IonicContact NZ-OD2 3.43Å; K9-D49 PolarHBondContact NZ-OD2 3.42Å
10P85.9Confident86.1Confident77 Ų7774.1 Ų74.150%0.538%0.384SS..Hα-helixtrans-58.9-47.4178.5-25.435.9000113Q8 V12 Y13 E14Q8-P10 VanDerWaalsContact C-CD 3.42Å; P10-V12 VanDerWaalsContact C-N 3.25Å; P10-V12 PolarHBondContact O-N 3.23Å; P10-Y13 PolarHBondContact O-N 2.99Å; P10-Y13 VanDerWaalsContact O-N 3.11Å; P10-E14 PolarHBondContact O-N 3.19Å; P10-E14 VanDerWaalsContact O-N 3.08Å
11H87.6Confident86.6Confident80 Ų8071.4 Ų71.437%0.3737%0.371SS..Hα-helixtrans-63.2-33.3178.1-58.9109.2000112.1Q8 K9 Y13 E14 F15Q8-H11 PolarHBondContact O-N 3.13Å; Q8-H11 VanDerWaalsContact O-N 3.14Å; K9-H11 PolarHBondContact O-N 3.33Å; H11-Y13 VanDerWaalsContact C-N 3.31Å; H11-Y13 PolarHBondContact O-N 2.95Å; H11-E14 IonicContact CD2-OE2 3.82Å; H11-E14 PolarHBondContact O-N 2.82Å; H11-F15 HydrophobicContact CB-CD2 4.42Å; H11-F15 HydrophobicContact CB-CE2 4.14Å; H11-F15 WeakPolarHBondContact O-CD2 3.41Å; H11-F15 WeakPolarHBondContact O-CG 3.36Å; H11-F15 PolarHBondContact O-N 3.07Å
12V89.4Confident88.2Confident9 Ų966.8 Ų66.86%0.05535%0.347CS..Hα-helixtrans-60.8-41.9175.5172.60000111.1L7 Q8 K9 P10 A16 V41 I45L7-V12 HydrophobicContact CB-CG2 3.85Å; Q8-V12 PolarHBondContact O-N 2.77Å; K9-V12 WeakPolarHBondContact O-CB 3.49Å; K9-V12 PolarHBondContact O-N 3.45Å; P10-V12 VanDerWaalsContact C-N 3.25Å; P10-V12 PolarHBondContact O-N 3.23Å; V12-A16 WeakPolarHBondContact O-CB 3.49Å; V12-A16 PolarHBondContact O-N 3.2Å; V12-V41 HydrophobicContact CG1-CB 4.11Å; V12-V41 HydrophobicContact CG1-CG1 3.31Å; V12-V41 HydrophobicContact CG1-CG2 3.86Å; V12-I45 HydrophobicContact CG1-CG2 4.31Å
13Y90.7Very high89.3Confident34 Ų3466 Ų6613%0.13334%0.342CS..Hα-helixtrans-71.3-39.5177.6-57.7-49.1000112.6K9 P10 H11 A16 S17 I45 D49 K53K9-Y13 HydrophobicContact CB-CE2 4.26Å; K9-Y13 WeakPolarHBondContact O-CD2 3.38Å; K9-Y13 PolarHBondContact O-N 3.15Å; P10-Y13 PolarHBondContact O-N 2.99Å; P10-Y13 VanDerWaalsContact O-N 3.11Å; H11-Y13 VanDerWaalsContact C-N 3.31Å; H11-Y13 PolarHBondContact O-N 2.95Å; Y13-A16 PolarHBondContact O-N 2.96Å; Y13-S17 PolarHBondContact O-N 3.44Å; Y13-I45 HydrophobicContact CE1-CD1 3.92Å; Y13-I45 HydrophobicContact CE1-CG2 4.26Å; Y13-D49 VanDerWaalsContact OH-CB 3.3Å; Y13-D49 WeakPolarHBondContact OH-CB 3.41Å; Y13-D49 VanDerWaalsContact OH-CG 3.23Å; Y13-K53 HydrophobicContact CD1-CB 4.12Å; Y13-K53 HydrophobicContact CE1-CB 3.75Å; Y13-K53 HydrophobicContact CE1-CG 4.45Å
14E91.5Very high90.2Very high113 Ų11359.2 Ų59.253%0.52831%0.311SS..Hα-helixtrans-58.3-50.1173.9-70.6177.4177.300110.9P10 H11 A16 S17 D18P10-E14 PolarHBondContact O-N 3.19Å; P10-E14 VanDerWaalsContact O-N 3.08Å; H11-E14 IonicContact CD2-OE2 3.82Å; H11-E14 PolarHBondContact O-N 2.82Å; E14-A16 VanDerWaalsContact C-N 3.31Å; E14-A16 PolarHBondContact O-N 3.41Å; E14-S17 WeakPolarHBondContact O-CB 3.46Å; E14-S17 PolarHBondContact O-N 3.43Å; E14-D18 PolarHBondContact O-N 3.21Å
15F92.5Very high91.1Very high88 Ų8853.5 Ų53.539%0.38628%0.281SS..Hα-helixtrans-63.6-36.5176.2-68.1-51.2000112.6L7 H11 S17 D18 I19 F37L7-F15 HydrophobicContact CD1-CD2 3.95Å; L7-F15 HydrophobicContact CD1-CE2 3.87Å; H11-F15 HydrophobicContact CB-CD2 4.42Å; H11-F15 HydrophobicContact CB-CE2 4.14Å; H11-F15 WeakPolarHBondContact O-CD2 3.41Å; H11-F15 WeakPolarHBondContact O-CG 3.36Å; H11-F15 PolarHBondContact O-N 3.07Å; F15-S17 VanDerWaalsContact C-N 3.35Å; F15-D18 PolarHBondContact O-N 3.01Å; F15-I19 VanDerWaalsContact O-CB 3.29Å; F15-I19 WeakPolarHBondContact O-CB 3.13Å; F15-I19 WeakPolarHBondContact O-CG1 3.26Å; F15-I19 PolarHBondContact O-N 3.24Å; F15-F37 HydrophobicContact CB-CE1 4.07Å; F15-F37 HydrophobicContact CB-CE2 4.47Å; F15-F37 HydrophobicContact CB-CZ 3.51Å; F15-F37 HydrophobicContact CG-CZ 4.46Å
16A93.9Very high92Very high1 Ų152.5 Ų52.51%0.00827%0.266CS..Hα-helixtrans-62.3-43.4175.300000111.7V12 Y13 E14 I19 A20 I38 L54V12-A16 WeakPolarHBondContact O-CB 3.49Å; V12-A16 PolarHBondContact O-N 3.2Å; Y13-A16 PolarHBondContact O-N 2.96Å; E14-A16 VanDerWaalsContact C-N 3.31Å; E14-A16 PolarHBondContact O-N 3.41Å; A16-I19 PolarHBondContact O-N 2.96Å; A16-A20 WeakPolarHBondContact O-CB 3.32Å; A16-A20 PolarHBondContact O-N 3.44Å; A16-I38 HydrophobicContact CB-CD1 4.15Å; A16-L54 HydrophobicContact CB-CD1 3.59Å
17S94.9Very high92.7Very high47 Ų4750 Ų5033%0.32925%0.253SS..Hα-helixtrans-61.8-42175-177.20000111.8Y13 E14 F15 I19 P21Y13-S17 PolarHBondContact O-N 3.44Å; E14-S17 WeakPolarHBondContact O-CB 3.46Å; E14-S17 PolarHBondContact O-N 3.43Å; F15-S17 VanDerWaalsContact C-N 3.35Å; S17-I19 VanDerWaalsContact C-N 3.34Å; S17-P21 VanDerWaalsContact O-CD 3.23Å; S17-P21 WeakPolarHBondContact O-CD 3.46Å
18D95.4Very high93.4Very high107 Ų10751.8 Ų51.857%0.57226%0.263SS*.Hα-helixtrans-68.9-32.5178.4-74.1-12.4000112.8E14 F15E14-D18 PolarHBondContact O-N 3.21Å; F15-D18 PolarHBondContact O-N 3.01Å
19I97.2Very high94.1Very high48 Ų4854.6 Ų54.625%0.24627%0.268CS..Hα-helixtrans-87.7-28.8-176.7-65-66.8000112.5F15 A16 S17 P21 F22 A34 F37F15-I19 VanDerWaalsContact O-CB 3.29Å; F15-I19 WeakPolarHBondContact O-CB 3.13Å; F15-I19 WeakPolarHBondContact O-CG1 3.26Å; F15-I19 PolarHBondContact O-N 3.24Å; A16-I19 PolarHBondContact O-N 2.96Å; S17-I19 VanDerWaalsContact C-N 3.34Å; I19-P21 VanDerWaalsContact C-CD 3.44Å; I19-F22 HydrophobicContact CD1-CD2 4.4Å; I19-F22 WeakPolarHBondContact O-CB 3.47Å; I19-F22 WeakPolarHBondContact O-CD2 3.29Å; I19-F22 PolarHBondContact O-N 3.5Å; I19-A34 HydrophobicContact CG2-CB 3.83Å; I19-F37 HydrophobicContact CB-CD1 3.88Å; I19-F37 HydrophobicContact CB-CE1 4.19Å; I19-F37 HydrophobicContact CG1-CD1 3.91Å; I19-F37 HydrophobicContact CG1-CE1 4Å; I19-F37 HydrophobicContact CG1-CG 4.37Å; I19-F37 HydrophobicContact CG2-CB 4.22Å; I19-F37 HydrophobicContact CG2-CD1 3.76Å; I19-F37 HydrophobicContact CG2-CG 4.21Å
20A97.3Very high94.9Very high2 Ų252.4 Ų52.42%0.01726%0.261CS..G310 helixtrans-54-40.2-17600000114.4A16 F22 L23 L58 Y61A16-A20 WeakPolarHBondContact O-CB 3.32Å; A16-A20 PolarHBondContact O-N 3.44Å; A20-F22 PolarHBondContact O-N 3.24Å; A20-F22 VanDerWaalsContact O-N 3.09Å; A20-L23 VanDerWaalsContact O-CB 3.23Å; A20-L23 WeakPolarHBondContact O-CB 3.38Å; A20-L23 WeakPolarHBondContact O-CD1 3.41Å; A20-L23 WeakPolarHBondContact O-CG 3.4Å; A20-L23 PolarHBondContact O-N 3.34Å; A20-L58 HydrophobicContact CB-CD2 4.15Å; A20-Y61 HydrophobicContact CB-CD2 4.2Å; A20-Y61 HydrophobicContact CB-CE2 3.79Å
21P98Very high95.5Very high18 Ų1850.2 Ų50.212%0.11724%0.242CC..G310 helixtrans-54.1-30.7174.8-29.336.5000114.7S17 I19 L23 C24 A148 L149S17-P21 VanDerWaalsContact O-CD 3.23Å; S17-P21 WeakPolarHBondContact O-CD 3.46Å; I19-P21 VanDerWaalsContact C-CD 3.44Å; P21-L23 PolarHBondContact O-N 2.92Å; P21-L23 VanDerWaalsContact O-N 3.13Å; P21-C24 PolarHBondContact O-N 3.03Å; P21-C24 PolarHBondContact O-SG 3.06Å; P21-A148 HydrophobicContact CB-CB 4.08Å; P21-A148 WeakPolarHBondContact CB-O 3.38Å; P21-A148 HydrophobicContact CG-CB 4.47Å; P21-L149 HydrophobicContact CB-CD2 4.06Å; P21-L149 WeakPolarHBondContact O-CD2 3.41Å
22F98.3Very high96Very high42 Ų4251.3 Ų51.318%0.18424%0.244CC..G310 helixtrans-69.9-9.1-179.5-65.2-77.7000113.6I19 A20 C24 H25 I30 A34 L149 F152I19-F22 HydrophobicContact CD1-CD2 4.4Å; I19-F22 WeakPolarHBondContact O-CB 3.47Å; I19-F22 WeakPolarHBondContact O-CD2 3.29Å; I19-F22 PolarHBondContact O-N 3.5Å; A20-F22 PolarHBondContact O-N 3.24Å; A20-F22 VanDerWaalsContact O-N 3.09Å; F22-C24 PolarHBondContact O-N 3.26Å; F22-H25 VanDerWaalsContact O-CB 3.28Å; F22-H25 WeakPolarHBondContact O-CB 3.37Å; F22-H25 PolarHBondContact O-N 3.41Å; F22-I30 HydrophobicContact CB-CG2 3.98Å; F22-I30 HydrophobicContact CD1-CG2 3.7Å; F22-I30 HydrophobicContact CG-CG2 4.18Å; F22-A34 HydrophobicContact CB-CB 3.84Å; F22-L149 HydrophobicContact CD1-CD2 4.11Å; F22-L149 HydrophobicContact CE1-CD2 4.4Å; F22-F152 HydrophobicContact CE1-CB 4.1Å; F22-F152 HydrophobicContact CE1-CD1 4.09Å; F22-F152 AromaticContact CE1-CD2 3.86Å; F22-F152 HydrophobicContact CE1-CD2 3.86Å; F22-F152 HydrophobicContact CE1-CE2 4.31Å; F22-F152 AromaticContact CE1-CG 3.74Å; F22-F152 HydrophobicContact CE1-CG 3.74Å; F22-F152 HydrophobicContact CZ-CB 3.96Å; F22-F152 AromaticContact CZ-CD2 3.95Å; F22-F152 HydrophobicContact CZ-CD2 3.95Å; F22-F152 AromaticContact CZ-CG 3.97Å; F22-F152 HydrophobicContact CZ-CG 3.97Å
23L97.9Very high96.3Very high1 Ų153.1 Ų53.11%0.00526%0.264CS..G310 helixtrans-65-24.3172.8-64172.1000112.8A20 P21 R31 A34 V35 L58 Y61 L79A20-L23 VanDerWaalsContact O-CB 3.23Å; A20-L23 WeakPolarHBondContact O-CB 3.38Å; A20-L23 WeakPolarHBondContact O-CD1 3.41Å; A20-L23 WeakPolarHBondContact O-CG 3.4Å; A20-L23 PolarHBondContact O-N 3.34Å; P21-L23 PolarHBondContact O-N 2.92Å; P21-L23 VanDerWaalsContact O-N 3.13Å; L23-R31 PolarHBondContact O-NE 3.22Å; L23-R31 PolarHBondContact O-NH2 2.95Å; L23-A34 HydrophobicContact CD2-CB 3.93Å; L23-A34 HydrophobicContact CG-CB 4.41Å; L23-V35 HydrophobicContact CD2-CG2 3.58Å; L23-L58 HydrophobicContact CD1-CD2 3.57Å; L23-Y61 HydrophobicContact CB-CG 4.17Å; L23-Y61 HydrophobicContact CD1-CD2 4.24Å; L23-Y61 HydrophobicContact CD1-CG 4.36Å; L23-L79 HydrophobicContact CB-CD2 4.35Å; L23-L79 HydrophobicContact CD2-CD1 4.38Å; L23-L79 HydrophobicContact CD2-CD2 4.14Å
24C97.8Very high96.7Very high5 Ų551.7 Ų51.73%0.03426%0.26CS..G310 helixtrans-102.39.3174.5710000114P21 F22 Y61 P82 V83 K145P21-C24 PolarHBondContact O-N 3.03Å; P21-C24 PolarHBondContact O-SG 3.06Å; F22-C24 PolarHBondContact O-N 3.26Å; C24-Y61 HydrophobicContact CB-CD1 4.09Å; C24-P82 CarbonylContact O-C 3.55Å; C24-P82 WeakPolarHBondContact O-CA 3.15Å; C24-P82 WeakPolarHBondContact O-CB 3.46Å; C24-V83 WeakPolarHBondContact O-CG1 3.47Å; C24-V83 PolarHBondContact O-N 3.11Å; C24-K145 HydrophobicContact CB-CB 4.42Å; C24-K145 HydrophobicContact CB-CD 4.16Å; C24-K145 HydrophobicContact CB-CG 3.97Å
25H98.2Very high97Very high6 Ų646.5 Ų46.53%0.02824%0.235CC..  trans-66.8143.1-177.9-172-87.1000112.4F22 N27 I30 R31 P82 F88 F152F22-H25 VanDerWaalsContact O-CB 3.28Å; F22-H25 WeakPolarHBondContact O-CB 3.37Å; F22-H25 PolarHBondContact O-N 3.41Å; H25-N27 VanDerWaalsContact C-N 3.26Å; H25-N27 VanDerWaalsContact CE1-CB 3.46Å; H25-N27 WeakPolarHBondContact CE1-CB 3.21Å; H25-N27 VanDerWaalsContact ND1-CB 3.35Å; H25-N27 WeakPolarHBondContact ND1-CB 3.46Å; H25-N27 PolarHBondContact ND1-N 3.35Å; H25-N27 PolarHBondContact O-N 3.23Å; H25-I30 HydrophobicContact CB-CG2 3.9Å; H25-I30 WeakPolarHBondContact CE1-CD1 3.47Å; H25-R31 HydrophobicContact CB-CG 4.41Å; H25-R31 WeakPolarHBondContact O-CD 3.37Å; H25-R31 WeakPolarHBondContact O-CG 3.4Å; H25-P82 WeakPolarHBondContact O-CB 3.46Å; H25-F88 AromaticContact NE2-CZ 3.75Å; H25-F152 AromaticContact NE2-CE1 3.87Å
26P97.7Very high97.1Very high23 Ų2343 Ų4315%0.14923%0.225CC..SBendtrans-70.6-16.6-175.727.8-35.5000114.4V83 R85 F88P26-V83 HydrophobicContact CB-CG1 4.42Å; P26-V83 WeakPolarHBondContact CB-O 3.43Å; P26-V83 HydrophobicContact CG-CG1 4.21Å; P26-R85 HydrophobicContact CB-CB 4.08Å; P26-F88 HydrophobicContact CG-CB 4Å; P26-F88 HydrophobicContact CG-CD1 3.82Å; P26-F88 HydrophobicContact CG-CD2 4.16Å; P26-F88 HydrophobicContact CG-CE1 4.36Å; P26-F88 HydrophobicContact CG-CG 3.72Å
27N97.6Very high97.2Very high56 Ų5645.3 Ų45.330%0.29924%0.235SC..SBendtrans-88.9118.3175-176.5-56.1000110.4H25 W29 I30 R31H25-N27 VanDerWaalsContact C-N 3.26Å; H25-N27 VanDerWaalsContact CE1-CB 3.46Å; H25-N27 WeakPolarHBondContact CE1-CB 3.21Å; H25-N27 VanDerWaalsContact ND1-CB 3.35Å; H25-N27 WeakPolarHBondContact ND1-CB 3.46Å; H25-N27 PolarHBondContact ND1-N 3.35Å; H25-N27 PolarHBondContact O-N 3.23Å; N27-W29 VanDerWaalsContact C-N 3.34Å; N27-W29 PolarHBondContact O-N 3.2Å; N27-W29 WeakPolarHBondContact OD1-CB 3.4Å; N27-W29 PolarHBondContact OD1-N 3.12Å; N27-I30 HydrophobicContact CB-CB 4.26Å; N27-I30 HydrophobicContact CB-CD1 3.97Å; N27-I30 HydrophobicContact CB-CG1 4.16Å; N27-I30 PolarHBondContact O-N 3.3Å; N27-I30 PolarHBondContact OD1-N 2.94Å; N27-R31 PolarHBondContact O-N 2.92Å
28L96.1Very high97.2Very high84 Ų8443.1 Ų43.144%0.4422%0.219SC..Hα-helixtrans-57.9-40.3-177.1-174.561.7000113.7I30 R31 Y32L28-I30 VanDerWaalsContact C-N 3.33Å; L28-I30 PolarHBondContact O-N 3.28Å; L28-R31 WeakPolarHBondContact O-CB 3.32Å; L28-R31 PolarHBondContact O-N 3.2Å; L28-Y32 HydrophobicContact CD1-CD1 4.18Å; L28-Y32 HydrophobicContact CD1-CE1 3.54Å; L28-Y32 HydrophobicContact CD1-CE2 4.22Å; L28-Y32 HydrophobicContact CD2-CE2 3.99Å; L28-Y32 HydrophobicContact CG-CD1 4.49Å; L28-Y32 HydrophobicContact CG-CD2 4.27Å; L28-Y32 HydrophobicContact CG-CE1 4.01Å; L28-Y32 HydrophobicContact CG-CE2 3.75Å; L28-Y32 PolarHBondContact O-N 3.45Å
29W97.8Very high97.2Very high196 Ų19638.1 Ų38.174%0.74219%0.192SC*.Hα-helixtrans-66.9-35.7179.9-65.6107.5000112.4N27 R31 Y32 G33N27-W29 VanDerWaalsContact C-N 3.34Å; N27-W29 PolarHBondContact O-N 3.2Å; N27-W29 WeakPolarHBondContact OD1-CB 3.4Å; N27-W29 PolarHBondContact OD1-N 3.12Å; W29-R31 VanDerWaalsContact C-N 3.34Å; W29-Y32 HydrophobicContact CE3-CD2 4.06Å; W29-Y32 HydrophobicContact CZ3-CD2 4.27Å; W29-Y32 PolarHBondContact O-N 3.18Å; W29-G33 PolarHBondContact O-N 3.43Å
30I97.9Very high97.1Very high64 Ų6437.3 Ų37.333%0.32819%0.19SC..Hα-helixtrans-64.4-42.1174-69.5175.8000110.1F22 H25 N27 L28 G33 A34F22-I30 HydrophobicContact CB-CG2 3.98Å; F22-I30 HydrophobicContact CD1-CG2 3.7Å; F22-I30 HydrophobicContact CG-CG2 4.18Å; H25-I30 HydrophobicContact CB-CG2 3.9Å; H25-I30 WeakPolarHBondContact CE1-CD1 3.47Å; N27-I30 HydrophobicContact CB-CB 4.26Å; N27-I30 HydrophobicContact CB-CD1 3.97Å; N27-I30 HydrophobicContact CB-CG1 4.16Å; N27-I30 PolarHBondContact O-N 3.3Å; N27-I30 PolarHBondContact OD1-N 2.94Å; L28-I30 VanDerWaalsContact C-N 3.33Å; L28-I30 PolarHBondContact O-N 3.28Å; I30-G33 PolarHBondContact O-N 2.91Å; I30-A34 PolarHBondContact O-N 3.36Å
31R97.9Very high96.9Very high30 Ų3037.2 Ų37.211%0.11319%0.189CC..Hα-helixtrans-62.1-44.8175-57.9177.975.6-170.14.9111.8L23 H25 N27 L28 W29 G33 A34 V35 L79 K80L23-R31 PolarHBondContact O-NE 3.22Å; L23-R31 PolarHBondContact O-NH2 2.95Å; H25-R31 HydrophobicContact CB-CG 4.41Å; H25-R31 WeakPolarHBondContact O-CD 3.37Å; H25-R31 WeakPolarHBondContact O-CG 3.4Å; N27-R31 PolarHBondContact O-N 2.92Å; L28-R31 WeakPolarHBondContact O-CB 3.32Å; L28-R31 PolarHBondContact O-N 3.2Å; W29-R31 VanDerWaalsContact C-N 3.34Å; R31-G33 VanDerWaalsContact C-N 3.31Å; R31-G33 PolarHBondContact O-N 3.34Å; R31-A34 PolarHBondContact O-N 3.43Å; R31-V35 WeakPolarHBondContact O-CG2 3.28Å; R31-V35 PolarHBondContact O-N 2.89Å; R31-L79 VanDerWaalsContact NH2-CB 3.3Å; R31-K80 PolarHBondContact NH2-O 3.29Å
32Y97.6Very high96.6Very high104 Ų10436.7 Ų36.741%0.40819%0.186SC..Hα-helixtrans-62.2-38.5176.9-70.4-10.5000112.3L28 W29 G36 L76L28-Y32 HydrophobicContact CD1-CD1 4.18Å; L28-Y32 HydrophobicContact CD1-CE1 3.54Å; L28-Y32 HydrophobicContact CD1-CE2 4.22Å; L28-Y32 HydrophobicContact CD2-CE2 3.99Å; L28-Y32 HydrophobicContact CG-CD1 4.49Å; L28-Y32 HydrophobicContact CG-CD2 4.27Å; L28-Y32 HydrophobicContact CG-CE1 4.01Å; L28-Y32 HydrophobicContact CG-CE2 3.75Å; L28-Y32 PolarHBondContact O-N 3.45Å; W29-Y32 HydrophobicContact CE3-CD2 4.06Å; W29-Y32 HydrophobicContact CZ3-CD2 4.27Å; W29-Y32 PolarHBondContact O-N 3.18Å; Y32-G36 PolarHBondContact O-N 2.91Å; Y32-L76 HydrophobicContact CD1-CD1 4.44Å; Y32-L76 HydrophobicContact CD1-CD2 3.62Å; Y32-L76 HydrophobicContact CE1-CD1 4.27Å; Y32-L76 HydrophobicContact CE1-CD2 3.66Å
33G97.2Very high96.3Very high47 Ų4740.6 Ų40.649%0.48520%0.204SC..Hα-helixtrans-60.9-47.7171.600000112.3W29 I30 R31 G36 F37W29-G33 PolarHBondContact O-N 3.43Å; I30-G33 PolarHBondContact O-N 2.91Å; R31-G33 VanDerWaalsContact C-N 3.31Å; R31-G33 PolarHBondContact O-N 3.34Å; G33-G36 PolarHBondContact O-N 2.89Å; G33-F37 PolarHBondContact O-N 3.2Å
34A97.7Very high95.9Very high4 Ų444.4 Ų44.43%0.03322%0.222CC..Hα-helixtrans-60.8-47.4177.700000111.9I19 F22 L23 I30 R31 G36 F37 I38I19-A34 HydrophobicContact CG2-CB 3.83Å; F22-A34 HydrophobicContact CB-CB 3.84Å; L23-A34 HydrophobicContact CD2-CB 3.93Å; L23-A34 HydrophobicContact CG-CB 4.41Å; I30-A34 PolarHBondContact O-N 3.36Å; R31-A34 PolarHBondContact O-N 3.43Å; A34-G36 VanDerWaalsContact C-N 3.33Å; A34-G36 PolarHBondContact O-N 2.89Å; A34-F37 WeakPolarHBondContact O-CB 3.38Å; A34-F37 PolarHBondContact O-N 2.9Å; A34-I38 VanDerWaalsContact O-CG1 3.32Å; A34-I38 WeakPolarHBondContact O-CG1 3.48Å; A34-I38 PolarHBondContact O-N 2.87Å
35V97.3Very high95.5Very high3 Ų345 Ų452%0.01823%0.225CC..Hα-helixtrans-59.6-43.9174.1168.30000111.6L23 R31 F37 I38 T39 K72 L75 L76 L79L23-V35 HydrophobicContact CD2-CG2 3.58Å; R31-V35 WeakPolarHBondContact O-CG2 3.28Å; R31-V35 PolarHBondContact O-N 2.89Å; V35-F37 VanDerWaalsContact C-N 3.28Å; V35-F37 PolarHBondContact O-N 3.38Å; V35-I38 PolarHBondContact O-N 3.46Å; V35-T39 HydrophobicContact CG1-CG2 4.07Å; V35-T39 WeakPolarHBondContact O-CB 3.36Å; V35-T39 WeakPolarHBondContact O-CG2 2.98Å; V35-T39 PolarHBondContact O-N 3.41Å; V35-T39 PolarHBondContact O-OG1 3.26Å; V35-K72 HydrophobicContact CG1-CB 4.46Å; V35-L75 HydrophobicContact CB-CD2 4.43Å; V35-L75 HydrophobicContact CG1-CB 4.28Å; V35-L75 HydrophobicContact CG1-CD2 4.04Å; V35-L75 HydrophobicContact CG1-CG 4.22Å; V35-L75 HydrophobicContact CG2-CD2 4.21Å; V35-L75 HydrophobicContact CG2-CG 4.19Å; V35-L76 HydrophobicContact CB-CD2 4.29Å; V35-L76 HydrophobicContact CG1-CD2 4.26Å; V35-L76 HydrophobicContact CG1-CG 4.06Å; V35-L76 HydrophobicContact CG2-CD2 3.83Å; V35-L76 HydrophobicContact CG2-CG 4.43Å; V35-L79 HydrophobicContact CG2-CD1 3.81Å
36G95.8Very high95.2Very high16 Ų1647.2 Ų47.217%0.16524%0.241CC..Hα-helixtrans-57.8-41.8176.200000112.2Y32 G33 A34 T39 V40Y32-G36 PolarHBondContact O-N 2.91Å; G33-G36 PolarHBondContact O-N 2.89Å; A34-G36 VanDerWaalsContact C-N 3.33Å; A34-G36 PolarHBondContact O-N 2.89Å; G36-T39 PolarHBondContact O-OG1 2.99Å; G36-V40 VanDerWaalsContact O-CG2 3.29Å; G36-V40 WeakPolarHBondContact O-CG2 3.46Å; G36-V40 PolarHBondContact O-N 3.35Å
37F95.8Very high95Very high49 Ų4951.1 Ų51.122%0.21527%0.265CS..Hα-helixtrans-65.8-52.2175178.8-92.6000112.2C2 F15 I19 G33 A34 V35 T39 V40 V41C2-F37 WeakPolarHBondContact SG-CE2 3.45Å; F15-F37 HydrophobicContact CB-CE1 4.07Å; F15-F37 HydrophobicContact CB-CE2 4.47Å; F15-F37 HydrophobicContact CB-CZ 3.51Å; F15-F37 HydrophobicContact CG-CZ 4.46Å; I19-F37 HydrophobicContact CB-CD1 3.88Å; I19-F37 HydrophobicContact CB-CE1 4.19Å; I19-F37 HydrophobicContact CG1-CD1 3.91Å; I19-F37 HydrophobicContact CG1-CE1 4Å; I19-F37 HydrophobicContact CG1-CG 4.37Å; I19-F37 HydrophobicContact CG2-CB 4.22Å; I19-F37 HydrophobicContact CG2-CD1 3.76Å; I19-F37 HydrophobicContact CG2-CG 4.21Å; G33-F37 PolarHBondContact O-N 3.2Å; A34-F37 WeakPolarHBondContact O-CB 3.38Å; A34-F37 PolarHBondContact O-N 2.9Å; V35-F37 VanDerWaalsContact C-N 3.28Å; V35-F37 PolarHBondContact O-N 3.38Å; F37-T39 VanDerWaalsContact C-N 3.31Å; F37-T39 PolarHBondContact O-N 3.18Å; F37-V40 WeakPolarHBondContact O-CB 3.39Å; F37-V40 PolarHBondContact O-N 3.24Å; F37-V40 VanDerWaalsContact O-N 3.12Å; F37-V41 HydrophobicContact CD1-CG2 4.09Å; F37-V41 HydrophobicContact CE1-CG2 3.55Å; F37-V41 HydrophobicContact CE2-CG2 4.35Å; F37-V41 HydrophobicContact CZ-CG2 3.68Å; F37-V41 PolarHBondContact O-N 3.42Å
38I95.8Very high94.8Very high0 Ų051.5 Ų51.50%028%0.275CS..Hα-helixtrans-59.3-42.4-178.2-66.7-60.8000111.5A16 A34 V35 V40 V41 A42 L54 L58 L75A16-I38 HydrophobicContact CB-CD1 4.15Å; A34-I38 VanDerWaalsContact O-CG1 3.32Å; A34-I38 WeakPolarHBondContact O-CG1 3.48Å; A34-I38 PolarHBondContact O-N 2.87Å; V35-I38 PolarHBondContact O-N 3.46Å; I38-V40 PolarHBondContact O-N 3.23Å; I38-V41 WeakPolarHBondContact O-CB 3.35Å; I38-V41 PolarHBondContact O-N 3.25Å; I38-A42 PolarHBondContact O-N 3.35Å; I38-L54 HydrophobicContact CD1-CD1 4.31Å; I38-L54 HydrophobicContact CG2-CD2 4.3Å; I38-L58 HydrophobicContact CD1-CD2 4.07Å; I38-L58 HydrophobicContact CG1-CD2 4.19Å; I38-L58 HydrophobicContact CG2-CD1 3.65Å; I38-L58 HydrophobicContact CG2-CD2 4.03Å; I38-L75 HydrophobicContact CB-CD2 4.13Å; I38-L75 HydrophobicContact CG2-CD2 3.7Å
39T94.8Very high94.6Very high2 Ų249.1 Ų49.11%0.01226%0.263CS..Hα-helixtrans-64.8-37.5177.253.20000112.4V35 G36 F37 A42 H43 I69 E70 K72 L75V35-T39 HydrophobicContact CG1-CG2 4.07Å; V35-T39 WeakPolarHBondContact O-CB 3.36Å; V35-T39 WeakPolarHBondContact O-CG2 2.98Å; V35-T39 PolarHBondContact O-N 3.41Å; V35-T39 PolarHBondContact O-OG1 3.26Å; G36-T39 PolarHBondContact O-OG1 2.99Å; F37-T39 VanDerWaalsContact C-N 3.31Å; F37-T39 PolarHBondContact O-N 3.18Å; T39-A42 PolarHBondContact O-N 3.45Å; T39-H43 PolarHBondContact O-N 2.95Å; T39-H43 PolarHBondContact O-ND1 3.16Å; T39-I69 VanDerWaalsContact CG2-O 3.28Å; T39-I69 WeakPolarHBondContact CG2-O 3.29Å; T39-E70 WeakPolarHBondContact CB-O 3.15Å; T39-K72 HydrophobicContact CG2-CB 4.3Å; T39-K72 HydrophobicContact CG2-CG 3.75Å; T39-K72 WeakPolarHBondContact OG1-CG 3.39Å; T39-L75 HydrophobicContact CG2-CD2 4.23Å
40V94.1Very high94.4Very high32 Ų3240 Ų4019%0.19423%0.23CC..Hα-helixtrans-65.3-41.8172.8168.40000110.9C2 Q3 G36 F37 I38 H43 Q44C2-V40 HydrophobicContact CB-CG1 3.78Å; Q3-V40 HydrophobicContact CB-CG1 3.82Å; G36-V40 VanDerWaalsContact O-CG2 3.29Å; G36-V40 WeakPolarHBondContact O-CG2 3.46Å; G36-V40 PolarHBondContact O-N 3.35Å; F37-V40 WeakPolarHBondContact O-CB 3.39Å; F37-V40 PolarHBondContact O-N 3.24Å; F37-V40 VanDerWaalsContact O-N 3.12Å; I38-V40 PolarHBondContact O-N 3.23Å; V40-H43 PolarHBondContact O-N 2.91Å; V40-Q44 VanDerWaalsContact O-CG 3.29Å; V40-Q44 WeakPolarHBondContact O-CG 3.18Å; V40-Q44 PolarHBondContact O-N 3.09Å
41V93Very high94.2Very high0 Ų041.4 Ų41.40%023%0.231CC..Hα-helixtrans-60.4-46.5175.7166.40000111.1V12 F37 I38 H43 Q44 I45 L54V12-V41 HydrophobicContact CG1-CB 4.11Å; V12-V41 HydrophobicContact CG1-CG1 3.31Å; V12-V41 HydrophobicContact CG1-CG2 3.86Å; F37-V41 HydrophobicContact CD1-CG2 4.09Å; F37-V41 HydrophobicContact CE1-CG2 3.55Å; F37-V41 HydrophobicContact CE2-CG2 4.35Å; F37-V41 HydrophobicContact CZ-CG2 3.68Å; F37-V41 PolarHBondContact O-N 3.42Å; I38-V41 WeakPolarHBondContact O-CB 3.35Å; I38-V41 PolarHBondContact O-N 3.25Å; V41-H43 PolarHBondContact O-N 3.38Å; V41-Q44 PolarHBondContact O-N 3.36Å; V41-I45 HydrophobicContact CG1-CD1 4.36Å; V41-I45 PolarHBondContact O-N 2.7Å; V41-L54 HydrophobicContact CG1-CD1 4.34Å; V41-L54 HydrophobicContact CG1-CD2 4.29Å
42A93.1Very high93.9Very high6 Ų644.3 Ų44.35%0.0526%0.255CS..Hα-helixtrans-58.4-34.3178.700000113.1I38 T39 Q44 V50 L54 I69 E70I38-A42 PolarHBondContact O-N 3.35Å; T39-A42 PolarHBondContact O-N 3.45Å; A42-Q44 VanDerWaalsContact C-N 3.3Å; A42-Q44 PolarHBondContact O-N 3.44Å; A42-V50 HydrophobicContact CB-CG2 4.25Å; A42-L54 HydrophobicContact CB-CD2 4Å; A42-I69 HydrophobicContact CB-CG2 3.64Å; A42-E70 HydrophobicContact CB-CB 4.17Å
43H91.1Very high93.7Very high124 Ų12444.6 Ų44.657%0.57426%0.259SS*.Hα-helixtrans-71-20.9174.6-7797.7000114.2T39 V40 V41 E70T39-H43 PolarHBondContact O-N 2.95Å; T39-H43 PolarHBondContact O-ND1 3.16Å; V40-H43 PolarHBondContact O-N 2.91Å; V41-H43 PolarHBondContact O-N 3.38Å; H43-E70 VanDerWaalsContact CE1-CB 3.49Å; H43-E70 WeakPolarHBondContact CE1-CB 3.28Å; H43-E70 PolarHBondContact CE1-O 3.48Å
44Q89.1Confident93.5Very high82 Ų8242.4 Ų42.438%0.38324%0.235SC..Hα-helixtrans-96.9-10.5-172.5-66.6-71.3-41.500113.3C2 Q3 V40 V41 A42C2-Q44 WeakPolarHBondContact O-CG 3.29Å; Q3-Q44 PolarHBondContact O-NE2 3.01Å; V40-Q44 VanDerWaalsContact O-CG 3.29Å; V40-Q44 WeakPolarHBondContact O-CG 3.18Å; V40-Q44 PolarHBondContact O-N 3.09Å; V41-Q44 PolarHBondContact O-N 3.36Å; A42-Q44 VanDerWaalsContact C-N 3.3Å; A42-Q44 PolarHBondContact O-N 3.44Å
45I90.6Very high93.3Very high17 Ų1742.7 Ų42.79%0.08724%0.236CC..SBendtrans-115165.7-17964.7179000110.4V12 Y13 V41 D49 V50 L54V12-I45 HydrophobicContact CG1-CG2 4.31Å; Y13-I45 HydrophobicContact CE1-CD1 3.92Å; Y13-I45 HydrophobicContact CE1-CG2 4.26Å; V41-I45 HydrophobicContact CG1-CD1 4.36Å; V41-I45 PolarHBondContact O-N 2.7Å; I45-D49 HydrophobicContact CB-CB 4.01Å; I45-D49 HydrophobicContact CD1-CB 4.1Å; I45-D49 HydrophobicContact CG1-CB 4.22Å; I45-V50 HydrophobicContact CD1-CG2 3.88Å; I45-V50 HydrophobicContact CG1-CG2 3.69Å; I45-L54 HydrophobicContact CD1-CB 4.16Å; I45-L54 HydrophobicContact CD1-CD2 4.33Å
46S92.3Very high93.1Very high53 Ų5345.8 Ų45.837%0.37126%0.257SS..  trans-69.9155.2178.771.20000111.1A48 D49 V50S46-A48 PolarHBondContact O-N 3.01Å; S46-D49 WeakPolarHBondContact O-CA 3.42Å; S46-D49 WeakPolarHBondContact O-CB 3.32Å; S46-D49 PolarHBondContact O-N 3.42Å; S46-D49 WeakPolarHBondContact OG-CB 3.3Å; S46-D49 PolarHBondContact OG-N 3.24Å; S46-D49 VanDerWaalsContact OG-N 3.11Å; S46-D49 PolarHBondContact OG-OD2 3.43Å; S46-V50 PolarHBondContact O-N 3.12Å
47T91.9Very high93.1Very high104 Ų10449.4 Ų49.464%0.63827%0.266SS*.Hα-helixtrans-55-39.3174.8-49.40000112V50 Y51T47-V50 WeakPolarHBondContact O-CB 3.47Å; T47-V50 PolarHBondContact O-N 2.92Å; T47-Y51 HydrophobicContact CG2-CD2 4.03Å; T47-Y51 HydrophobicContact CG2-CE2 3.61Å; T47-Y51 WeakPolarHBondContact O-CD2 3.21Å; T47-Y51 PolarHBondContact O-N 3.22Å
48A93.1Very high93Very high64 Ų6447.1 Ų47.153%0.52926%0.256SS..Hα-helixtrans-62.6-43.8174.900000111.8S46 V50 Y51 C52S46-A48 PolarHBondContact O-N 3.01Å; A48-V50 VanDerWaalsContact C-N 3.31Å; A48-V50 PolarHBondContact O-N 3.06Å; A48-Y51 PolarHBondContact O-N 3.2Å; A48-C52 VanDerWaalsContact O-CB 3.32Å; A48-C52 WeakPolarHBondContact O-CB 3.34Å; A48-C52 PolarHBondContact O-N 3.31Å; A48-C52 PolarHBondContact O-SG 3.2Å
49D93.5Very high93Very high35 Ų3551 Ų5119%0.18728%0.276CS..Hα-helixtrans-63.6-36.1176.1-69.5-38.1000112K9 Y13 I45 S46 Y51 K53 L54K9-D49 IonicContact NZ-OD2 3.43Å; K9-D49 PolarHBondContact NZ-OD2 3.42Å; Y13-D49 VanDerWaalsContact OH-CB 3.3Å; Y13-D49 WeakPolarHBondContact OH-CB 3.41Å; Y13-D49 VanDerWaalsContact OH-CG 3.23Å; I45-D49 HydrophobicContact CB-CB 4.01Å; I45-D49 HydrophobicContact CD1-CB 4.1Å; I45-D49 HydrophobicContact CG1-CB 4.22Å; S46-D49 WeakPolarHBondContact O-CA 3.42Å; S46-D49 WeakPolarHBondContact O-CB 3.32Å; S46-D49 PolarHBondContact O-N 3.42Å; S46-D49 WeakPolarHBondContact OG-CB 3.3Å; S46-D49 PolarHBondContact OG-N 3.24Å; S46-D49 VanDerWaalsContact OG-N 3.11Å; S46-D49 PolarHBondContact OG-OD2 3.43Å; D49-Y51 PolarHBondContact O-N 3.14Å; D49-K53 WeakPolarHBondContact O-CA 3.46Å; D49-K53 WeakPolarHBondContact O-CB 3.48Å; D49-K53 PolarHBondContact O-N 2.96Å; D49-L54 PolarHBondContact O-N 3.27Å; D49-L54 VanDerWaalsContact O-N 3.15Å
50V93.4Very high93Very high5 Ų554.3 Ų54.33%0.0330%0.298CS..Iπ-helixtrans-55.6-54.9174172.90000109.9A42 I45 S46 T47 A48 L54 M55 I69A42-V50 HydrophobicContact CB-CG2 4.25Å; I45-V50 HydrophobicContact CD1-CG2 3.88Å; I45-V50 HydrophobicContact CG1-CG2 3.69Å; S46-V50 PolarHBondContact O-N 3.12Å; T47-V50 WeakPolarHBondContact O-CB 3.47Å; T47-V50 PolarHBondContact O-N 2.92Å; A48-V50 VanDerWaalsContact C-N 3.31Å; A48-V50 PolarHBondContact O-N 3.06Å; V50-L54 WeakPolarHBondContact O-CA 3.16Å; V50-L54 WeakPolarHBondContact O-CB 3.2Å; V50-L54 PolarHBondContact O-N 3.34Å; V50-L54 VanDerWaalsContact O-N 3.1Å; V50-M55 HydrophobicContact CG1-CG 4.45Å; V50-M55 WeakPolarHBondContact O-CG 3.41Å; V50-M55 PolarHBondContact O-N 3.03Å; V50-I69 HydrophobicContact CG1-CG2 3.56Å
51Y92.6Very high93.1Very high92 Ų9254.3 Ų54.336%0.36130%0.295SS..Iπ-helixtrans-76.3-32.9-174.7-65-72.5000113.7T47 A48 D49 M55 I67T47-Y51 HydrophobicContact CG2-CD2 4.03Å; T47-Y51 HydrophobicContact CG2-CE2 3.61Å; T47-Y51 WeakPolarHBondContact O-CD2 3.21Å; T47-Y51 PolarHBondContact O-N 3.22Å; A48-Y51 PolarHBondContact O-N 3.2Å; D49-Y51 PolarHBondContact O-N 3.14Å; Y51-M55 HydrophobicContact CD1-CG 3.88Å; Y51-I67 WeakPolarHBondContact OH-CA 3.33Å
52C92.3Very high93.3Very high91 Ų9154.7 Ų54.762%0.61530%0.297SS*.Iπ-helixtrans-91.1-22.5-176.6-63.10000114.1A48A48-C52 VanDerWaalsContact O-CB 3.32Å; A48-C52 WeakPolarHBondContact O-CB 3.34Å; A48-C52 PolarHBondContact O-N 3.31Å; A48-C52 PolarHBondContact O-SG 3.2Å
53K92.4Very high93.4Very high111 Ų11158.5 Ų58.548%0.48332%0.319SS..Iπ-helixtrans-120.4-42.9-175-56.4-65-174.9-179.20113.1Y13 D49 Y57Y13-K53 HydrophobicContact CD1-CB 4.12Å; Y13-K53 HydrophobicContact CE1-CB 3.75Å; Y13-K53 HydrophobicContact CE1-CG 4.45Å; D49-K53 WeakPolarHBondContact O-CA 3.46Å; D49-K53 WeakPolarHBondContact O-CB 3.48Å; D49-K53 PolarHBondContact O-N 2.96Å; K53-Y57 WeakPolarHBondContact O-CD2 3.44Å; K53-Y57 WeakPolarHBondContact O-CE2 3.32Å
54L93.5Very high93.4Very high0 Ų058 Ų580%032%0.317CS..Iπ-helixtrans-83.1-48.1-176.8-178.962.9000112.5A16 I38 V41 A42 I45 D49 V50 P56 Y57 L58A16-L54 HydrophobicContact CB-CD1 3.59Å; I38-L54 HydrophobicContact CD1-CD1 4.31Å; I38-L54 HydrophobicContact CG2-CD2 4.3Å; V41-L54 HydrophobicContact CG1-CD1 4.34Å; V41-L54 HydrophobicContact CG1-CD2 4.29Å; A42-L54 HydrophobicContact CB-CD2 4Å; I45-L54 HydrophobicContact CD1-CB 4.16Å; I45-L54 HydrophobicContact CD1-CD2 4.33Å; D49-L54 PolarHBondContact O-N 3.27Å; D49-L54 VanDerWaalsContact O-N 3.15Å; V50-L54 WeakPolarHBondContact O-CA 3.16Å; V50-L54 WeakPolarHBondContact O-CB 3.2Å; V50-L54 PolarHBondContact O-N 3.34Å; V50-L54 VanDerWaalsContact O-N 3.1Å; L54-P56 VanDerWaalsContact C-CD 3.45Å; L54-Y57 WeakPolarHBondContact O-CB 3.39Å; L54-Y57 PolarHBondContact O-N 3Å; L54-L58 HydrophobicContact CD1-CD1 4.35Å; L54-L58 HydrophobicContact CD2-CD1 4.34Å; L54-L58 HydrophobicContact CG-CD1 3.89Å; L54-L58 HydrophobicContact CG-CG 4.42Å
55M93.4Very high93.2Very high11 Ų1159.5 Ų59.55%0.05434%0.335CS..Hα-helixtrans-55-40.2-176.8-73.3-61.5-60.200114.6V50 Y51 Y57 L58 D59 I62 I69V50-M55 HydrophobicContact CG1-CG 4.45Å; V50-M55 WeakPolarHBondContact O-CG 3.41Å; V50-M55 PolarHBondContact O-N 3.03Å; Y51-M55 HydrophobicContact CD1-CG 3.88Å; M55-Y57 PolarHBondContact O-N 2.98Å; M55-Y57 VanDerWaalsContact O-N 3.08Å; M55-L58 CarbonylContact O-C 3.59Å; M55-L58 WeakPolarHBondContact O-CA 3.12Å; M55-L58 PolarHBondContact O-N 3.15Å; M55-L58 HydrophobicContact SD-CD1 4.35Å; M55-D59 VanDerWaalsContact O-CG 3.22Å; M55-D59 PolarHBondContact O-N 3.13Å; M55-I62 HydrophobicContact CE-CD1 3.55Å; M55-I69 HydrophobicContact CE-CD1 4.44Å; M55-I69 HydrophobicContact SD-CD1 3.41Å; M55-I69 WeakPolarHBondContact SD-CD1 3.46Å
56P94.3Very high93Very high68 Ų6859.3 Ų59.344%0.44233%0.334SS..Hα-helixtrans-56-29.2176.6-2836.4000114.3L54L54-P56 VanDerWaalsContact C-CD 3.45Å
57Y94.4Very high92.6Very high92 Ų9263.2 Ų63.236%0.36135%0.349SS..Hα-helixtrans-78.1-23.1174.4-58.7-61.3000113K53 L54 M55 Y61K53-Y57 WeakPolarHBondContact O-CD2 3.44Å; K53-Y57 WeakPolarHBondContact O-CE2 3.32Å; L54-Y57 WeakPolarHBondContact O-CB 3.39Å; L54-Y57 PolarHBondContact O-N 3Å; M55-Y57 PolarHBondContact O-N 2.98Å; M55-Y57 VanDerWaalsContact O-N 3.08Å; Y57-Y61 VanDerWaalsContact O-CD2 3.29Å; Y57-Y61 WeakPolarHBondContact O-CD2 3.46Å; Y57-Y61 WeakPolarHBondContact O-CE2 3.44Å
58L95.3Very high92.3Very high0 Ų062 Ų620%034%0.337CS..Hα-helixtrans-95.2-28.9-175-57.6-178.3000112.9A20 L23 I38 L54 M55 P60 Y61 I62 I69A20-L58 HydrophobicContact CB-CD2 4.15Å; L23-L58 HydrophobicContact CD1-CD2 3.57Å; I38-L58 HydrophobicContact CD1-CD2 4.07Å; I38-L58 HydrophobicContact CG1-CD2 4.19Å; I38-L58 HydrophobicContact CG2-CD1 3.65Å; I38-L58 HydrophobicContact CG2-CD2 4.03Å; L54-L58 HydrophobicContact CD1-CD1 4.35Å; L54-L58 HydrophobicContact CD2-CD1 4.34Å; L54-L58 HydrophobicContact CG-CD1 3.89Å; L54-L58 HydrophobicContact CG-CG 4.42Å; M55-L58 CarbonylContact O-C 3.59Å; M55-L58 WeakPolarHBondContact O-CA 3.12Å; M55-L58 PolarHBondContact O-N 3.15Å; M55-L58 HydrophobicContact SD-CD1 4.35Å; L58-P60 VanDerWaalsContact C-N 3.28Å; L58-P60 VanDerWaalsContact O-N 3.17Å; L58-Y61 WeakPolarHBondContact O-CA 3.21Å; L58-Y61 PolarHBondContact O-N 2.84Å; L58-I62 PolarHBondContact O-N 3.49Å; L58-I69 HydrophobicContact CD1-CD1 3.35Å; L58-I69 HydrophobicContact CD1-CG1 4.4Å
59D94.6Very high92.1Very high81 Ų8159 Ų5943%0.43331%0.312SS..G310 helixtrans-48.1-40.5-179.7-69.4-19.8000114M55 Y61M55-D59 VanDerWaalsContact O-CG 3.22Å; M55-D59 PolarHBondContact O-N 3.13Å; D59-Y61 PolarHBondContact O-N 2.76Å; D59-Y61 VanDerWaalsContact O-N 3.13Å
60P95.1Very high91.7Very high73 Ų7360 Ų6047%0.47432%0.315SS..G310 helixtrans-62.8-21.4176.8-23.135.3000114L58 K80L58-P60 VanDerWaalsContact C-N 3.28Å; L58-P60 VanDerWaalsContact O-N 3.17Å; P60-K80 WeakPolarHBondContact O-CD 3.47Å; P60-K80 VanDerWaalsContact O-CE 3.26Å; P60-K80 WeakPolarHBondContact O-CE 3.34Å; P60-K80 PolarHBondContact O-NZ 3.45Å
61Y96.8Very high91.6Very high32 Ų3266.7 Ų66.713%0.12534%0.34CS..G310 helixtrans-111-3.6-170.1-49.3-72000114.2A20 L23 C24 Y57 L58 D59 K80 A148A20-Y61 HydrophobicContact CB-CD2 4.2Å; A20-Y61 HydrophobicContact CB-CE2 3.79Å; L23-Y61 HydrophobicContact CB-CG 4.17Å; L23-Y61 HydrophobicContact CD1-CD2 4.24Å; L23-Y61 HydrophobicContact CD1-CG 4.36Å; C24-Y61 HydrophobicContact CB-CD1 4.09Å; Y57-Y61 VanDerWaalsContact O-CD2 3.29Å; Y57-Y61 WeakPolarHBondContact O-CD2 3.46Å; Y57-Y61 WeakPolarHBondContact O-CE2 3.44Å; L58-Y61 WeakPolarHBondContact O-CA 3.21Å; L58-Y61 PolarHBondContact O-N 2.84Å; D59-Y61 PolarHBondContact O-N 2.76Å; D59-Y61 VanDerWaalsContact O-N 3.13Å; Y61-K80 PolarHBondContact O-N 3.39Å; Y61-A148 HydrophobicContact CE1-CB 4.09Å; Y61-A148 WeakPolarHBondContact OH-CB 3.28Å
62I95.7Very high91.5Very high8 Ų868.1 Ų68.14%0.04135%0.348CS..BIsolated β-bridgetrans-112.9148178.464.2-177.8000111.7M55 L58 Q64 L75 V78 L79 K80M55-I62 HydrophobicContact CE-CD1 3.55Å; L58-I62 PolarHBondContact O-N 3.49Å; I62-Q64 WeakPolarHBondContact CD1-O 3.4Å; I62-L75 HydrophobicContact CG2-CD1 4.03Å; I62-V78 CarbonylContact C-O 3.46Å; I62-V78 WeakPolarHBondContact CA-O 3.19Å; I62-V78 HydrophobicContact CB-CG2 4.23Å; I62-V78 HydrophobicContact CG2-CG2 4.08Å; I62-L79 HydrophobicContact CG2-CD2 4.22Å; I62-K80 WeakPolarHBondContact O-CE 3.09Å
63T95.6Very high91.5Very high85 Ų8570.6 Ų70.652%0.52135%0.354SS..SBendtrans-78.7-25.6-179.753.80000112.7V78 K80T63-V78 PolarHBondContact N-O 3.23Å; T63-V78 PolarHBondContact OG1-O 2.94Å; T63-K80 HydrophobicContact CG2-CG 3.91Å
64Q91.3Very high91.5Very high113 Ų11367.2 Ų67.253%0.52834%0.343SS..SBendtrans-154.5151.4-174.761-161.572.200110.6I62 V78I62-Q64 WeakPolarHBondContact CD1-O 3.4Å; Q64-V78 HydrophobicContact CG-CB 4.08Å; Q64-V78 HydrophobicContact CG-CG1 3.69Å
65P85.8Confident91.6Very high115 Ų11567.2 Ų67.275%0.74734%0.343SS*.  trans-58.5139.9169.8-21.232.7000110.7
66V86Confident91.6Very high13 Ų1369.5 Ų69.58%0.07936%0.355CS..  trans-124.7146.2178.7-77.10000111.8I69 V74 V78V66-I69 HydrophobicContact CG2-CB 4.47Å; V66-I69 HydrophobicContact CG2-CD1 3.93Å; V66-I69 HydrophobicContact CG2-CG1 4.2Å; V66-V74 HydrophobicContact CB-CG1 4.04Å; V66-V74 HydrophobicContact CG1-CG1 4.04Å; V66-V78 HydrophobicContact CB-CG2 4.47Å; V66-V78 HydrophobicContact CG1-CB 3.91Å; V66-V78 HydrophobicContact CG1-CG1 3.38Å; V66-V78 HydrophobicContact CG1-CG2 3.51Å; V66-V78 HydrophobicContact CG2-CG2 4.16Å
67I84.3Confident91.6Very high134 Ų13470.6 Ų70.669%0.68736%0.364SS*.SBendtrans-95.9146168-45.7177.4000106.7Y51Y51-I67 WeakPolarHBondContact OH-CA 3.33Å
68Q85.3Confident91.6Very high80 Ų8066.5 Ų66.537%0.37435%0.349SS..  trans67.348.4177-54.7-176.1-26.400114.8E70 R71Q68-E70 VanDerWaalsContact CA-CD 3.46Å; Q68-E70 VanDerWaalsContact CA-OE1 3.32Å; Q68-E70 WeakPolarHBondContact CA-OE1 3.47Å; Q68-E70 WeakPolarHBondContact CA-OE2 3.3Å; Q68-E70 VanDerWaalsContact CB-OE1 3.26Å; Q68-E70 WeakPolarHBondContact CB-OE1 3.25Å; Q68-E70 PolarHBondContact O-N 3.11Å; Q68-E70 VanDerWaalsContact O-N 3.09Å; Q68-R71 HydrophobicContact CB-CG 4.39Å; Q68-R71 WeakPolarHBondContact O-CB 3.46Å; Q68-R71 PolarHBondContact O-N 2.82Å
69I88.1Confident91.7Very high0 Ų067.4 Ų67.40%035%0.354CS..THydrogen-bonded Turntrans-63.3-16.1-179-154.1156.5000113.7T39 A42 V50 M55 L58 V66 R71 L75T39-I69 VanDerWaalsContact CG2-O 3.28Å; T39-I69 WeakPolarHBondContact CG2-O 3.29Å; A42-I69 HydrophobicContact CB-CG2 3.64Å; V50-I69 HydrophobicContact CG1-CG2 3.56Å; M55-I69 HydrophobicContact CE-CD1 4.44Å; M55-I69 HydrophobicContact SD-CD1 3.41Å; M55-I69 WeakPolarHBondContact SD-CD1 3.46Å; L58-I69 HydrophobicContact CD1-CD1 3.35Å; L58-I69 HydrophobicContact CD1-CG1 4.4Å; V66-I69 HydrophobicContact CG2-CB 4.47Å; V66-I69 HydrophobicContact CG2-CD1 3.93Å; V66-I69 HydrophobicContact CG2-CG1 4.2Å; I69-R71 PolarHBondContact O-N 3.19Å; I69-L75 HydrophobicContact CD1-CD1 3.93Å; I69-L75 HydrophobicContact CG1-CB 4.17Å; I69-L75 HydrophobicContact CG1-CD1 3.97Å; I69-L75 HydrophobicContact CG1-CD2 4.05Å; I69-L75 HydrophobicContact CG1-CG 4.28Å
70E85.8Confident91.8Very high56 Ų5667.3 Ų67.326%0.26235%0.349SS..THydrogen-bonded Turntrans-60.3-23.5170.671.6-82.9179.100112.3T39 A42 H43 Q68 K72T39-E70 WeakPolarHBondContact CB-O 3.15Å; A42-E70 HydrophobicContact CB-CB 4.17Å; H43-E70 VanDerWaalsContact CE1-CB 3.49Å; H43-E70 WeakPolarHBondContact CE1-CB 3.28Å; H43-E70 PolarHBondContact CE1-O 3.48Å; Q68-E70 VanDerWaalsContact CA-CD 3.46Å; Q68-E70 VanDerWaalsContact CA-OE1 3.32Å; Q68-E70 WeakPolarHBondContact CA-OE1 3.47Å; Q68-E70 WeakPolarHBondContact CA-OE2 3.3Å; Q68-E70 VanDerWaalsContact CB-OE1 3.26Å; Q68-E70 WeakPolarHBondContact CB-OE1 3.25Å; Q68-E70 PolarHBondContact O-N 3.11Å; Q68-E70 VanDerWaalsContact O-N 3.09Å; E70-K72 PolarHBondContact O-N 3.28Å
71R90.6Very high91.9Very high146 Ų14670.9 Ų70.955%0.55136%0.36SS*.SBendtrans-83112.9174.5-63.8-172.9178.4-156.81111.1Q68 I69 L73 V74 L75Q68-R71 HydrophobicContact CB-CG 4.39Å; Q68-R71 WeakPolarHBondContact O-CB 3.46Å; Q68-R71 PolarHBondContact O-N 2.82Å; I69-R71 PolarHBondContact O-N 3.19Å; R71-L73 VanDerWaalsContact C-N 3.32Å; R71-L73 PolarHBondContact O-N 3.45Å; R71-V74 HydrophobicContact CB-CB 4.12Å; R71-V74 HydrophobicContact CB-CG2 3.7Å; R71-V74 WeakPolarHBondContact O-CB 3.41Å; R71-V74 PolarHBondContact O-N 2.83Å; R71-L75 PolarHBondContact O-N 3.32Å
72K91.2Very high91.9Very high121 Ų12170.9 Ų70.953%0.52636%0.363SS..Hα-helixtrans-49.7-46.2-179.7-67.5-179.5-178.1-178.30114.3V35 T39 E70 V74 L75 L76V35-K72 HydrophobicContact CG1-CB 4.46Å; T39-K72 HydrophobicContact CG2-CB 4.3Å; T39-K72 HydrophobicContact CG2-CG 3.75Å; T39-K72 WeakPolarHBondContact OG1-CG 3.39Å; E70-K72 PolarHBondContact O-N 3.28Å; K72-V74 VanDerWaalsContact C-N 3.3Å; K72-V74 PolarHBondContact O-N 2.86Å; K72-L75 PolarHBondContact O-N 3.43Å; K72-L76 WeakPolarHBondContact O-CG 3.32Å; K72-L76 PolarHBondContact O-N 3.3Å
73L92.4Very high92Very high143 Ų14370.5 Ų70.575%0.74936%0.362SS*.Hα-helixtrans-65.5-35.1-178.2-66179.5000112.2R71 L76 S77R71-L73 VanDerWaalsContact C-N 3.32Å; R71-L73 PolarHBondContact O-N 3.45Å; L73-L76 PolarHBondContact O-N 2.89Å; L73-S77 WeakPolarHBondContact O-CB 3.43Å; L73-S77 PolarHBondContact O-N 2.87Å; L73-S77 PolarHBondContact O-OG 3.15Å
74V92.6Very high92.1Very high40 Ų4068.4 Ų68.424%0.24235%0.351CS..Hα-helixtrans-64.4-52.8177177.70000109.2V66 R71 K72 L76 S77V66-V74 HydrophobicContact CB-CG1 4.04Å; V66-V74 HydrophobicContact CG1-CG1 4.04Å; R71-V74 HydrophobicContact CB-CB 4.12Å; R71-V74 HydrophobicContact CB-CG2 3.7Å; R71-V74 WeakPolarHBondContact O-CB 3.41Å; R71-V74 PolarHBondContact O-N 2.83Å; K72-V74 VanDerWaalsContact C-N 3.3Å; K72-V74 PolarHBondContact O-N 2.86Å; V74-L76 VanDerWaalsContact C-N 3.33Å; V74-L76 PolarHBondContact O-N 3.24Å; V74-S77 PolarHBondContact O-N 2.97Å; V74-S77 VanDerWaalsContact O-N 3.16Å; V74-S77 PolarHBondContact O-OG 2.8Å
75L94.3Very high92.4Very high0 Ų068.3 Ų68.30%035%0.345CS..Hα-helixtrans-59.3-42.7178.2-178.351.8000112.2V35 I38 T39 I62 I69 R71 K72 S77 V78 L79V35-L75 HydrophobicContact CB-CD2 4.43Å; V35-L75 HydrophobicContact CG1-CB 4.28Å; V35-L75 HydrophobicContact CG1-CD2 4.04Å; V35-L75 HydrophobicContact CG1-CG 4.22Å; V35-L75 HydrophobicContact CG2-CD2 4.21Å; V35-L75 HydrophobicContact CG2-CG 4.19Å; I38-L75 HydrophobicContact CB-CD2 4.13Å; I38-L75 HydrophobicContact CG2-CD2 3.7Å; T39-L75 HydrophobicContact CG2-CD2 4.23Å; I62-L75 HydrophobicContact CG2-CD1 4.03Å; I69-L75 HydrophobicContact CD1-CD1 3.93Å; I69-L75 HydrophobicContact CG1-CB 4.17Å; I69-L75 HydrophobicContact CG1-CD1 3.97Å; I69-L75 HydrophobicContact CG1-CD2 4.05Å; I69-L75 HydrophobicContact CG1-CG 4.28Å; R71-L75 PolarHBondContact O-N 3.32Å; K72-L75 PolarHBondContact O-N 3.43Å; L75-S77 VanDerWaalsContact C-N 3.3Å; L75-S77 PolarHBondContact O-N 3.39Å; L75-V78 HydrophobicContact CD1-CG2 4.45Å; L75-V78 WeakPolarHBondContact O-CG2 3.23Å; L75-V78 PolarHBondContact O-N 3.22Å; L75-L79 HydrophobicContact CD1-CD2 3.89Å; L75-L79 HydrophobicContact CG-CD2 4.26Å; L75-L79 WeakPolarHBondContact O-CG 3.23Å; L75-L79 PolarHBondContact O-N 3.43Å
76L94.4Very high92.9Very high59 Ų5965.3 Ų65.331%0.30933%0.327SS..Hα-helixtrans-59.9-39.8177.2-76.8171000113Y32 V35 K72 L73 V74 V78 L79Y32-L76 HydrophobicContact CD1-CD1 4.44Å; Y32-L76 HydrophobicContact CD1-CD2 3.62Å; Y32-L76 HydrophobicContact CE1-CD1 4.27Å; Y32-L76 HydrophobicContact CE1-CD2 3.66Å; V35-L76 HydrophobicContact CB-CD2 4.29Å; V35-L76 HydrophobicContact CG1-CD2 4.26Å; V35-L76 HydrophobicContact CG1-CG 4.06Å; V35-L76 HydrophobicContact CG2-CD2 3.83Å; V35-L76 HydrophobicContact CG2-CG 4.43Å; K72-L76 WeakPolarHBondContact O-CG 3.32Å; K72-L76 PolarHBondContact O-N 3.3Å; L73-L76 PolarHBondContact O-N 2.89Å; V74-L76 VanDerWaalsContact C-N 3.33Å; V74-L76 PolarHBondContact O-N 3.24Å; L76-V78 PolarHBondContact O-N 3.37Å; L76-L79 HydrophobicContact CD2-CD1 4.25Å; L76-L79 PolarHBondContact O-N 3.42Å
77S94Very high93.4Very high92 Ų9264.8 Ų64.864%0.64332%0.324SS*.Hα-helixtrans-67.6-18.5-175.570.90000114.1L73 V74 L75L73-S77 WeakPolarHBondContact O-CB 3.43Å; L73-S77 PolarHBondContact O-N 2.87Å; L73-S77 PolarHBondContact O-OG 3.15Å; V74-S77 PolarHBondContact O-N 2.97Å; V74-S77 VanDerWaalsContact O-N 3.16Å; V74-S77 PolarHBondContact O-OG 2.8Å; L75-S77 VanDerWaalsContact C-N 3.3Å; L75-S77 PolarHBondContact O-N 3.39Å
78V95.6Very high94Very high6 Ų658.7 Ų58.74%0.03629%0.293CS..THydrogen-bonded Turntrans-114.76-176.4-590000113.8I62 T63 Q64 V66 L75 L76I62-V78 CarbonylContact C-O 3.46Å; I62-V78 WeakPolarHBondContact CA-O 3.19Å; I62-V78 HydrophobicContact CB-CG2 4.23Å; I62-V78 HydrophobicContact CG2-CG2 4.08Å; T63-V78 PolarHBondContact N-O 3.23Å; T63-V78 PolarHBondContact OG1-O 2.94Å; Q64-V78 HydrophobicContact CG-CB 4.08Å; Q64-V78 HydrophobicContact CG-CG1 3.69Å; V66-V78 HydrophobicContact CB-CG2 4.47Å; V66-V78 HydrophobicContact CG1-CB 3.91Å; V66-V78 HydrophobicContact CG1-CG1 3.38Å; V66-V78 HydrophobicContact CG1-CG2 3.51Å; V66-V78 HydrophobicContact CG2-CG2 4.16Å; L75-V78 HydrophobicContact CD1-CG2 4.45Å; L75-V78 WeakPolarHBondContact O-CG2 3.23Å; L75-V78 PolarHBondContact O-N 3.22Å; L76-V78 PolarHBondContact O-N 3.37Å
79L96.6Very high94.5Very high19 Ų1957.1 Ų57.110%0.09929%0.287CS..BIsolated β-bridgetrans-66.9138.9176-63.3-174.4000110.2L23 R31 V35 I62 L75 L76L23-L79 HydrophobicContact CB-CD2 4.35Å; L23-L79 HydrophobicContact CD2-CD1 4.38Å; L23-L79 HydrophobicContact CD2-CD2 4.14Å; R31-L79 VanDerWaalsContact NH2-CB 3.3Å; V35-L79 HydrophobicContact CG2-CD1 3.81Å; I62-L79 HydrophobicContact CG2-CD2 4.22Å; L75-L79 HydrophobicContact CD1-CD2 3.89Å; L75-L79 HydrophobicContact CG-CD2 4.26Å; L75-L79 WeakPolarHBondContact O-CG 3.23Å; L75-L79 PolarHBondContact O-N 3.43Å; L76-L79 HydrophobicContact CD2-CD1 4.25Å; L76-L79 PolarHBondContact O-N 3.42Å
80K96.6Very high94.9Very high79 Ų7959.4 Ų59.434%0.34330%0.296SS..PPolyproline II helixtrans-59.8160.2166.6-65.6-177.1-171.4175.80110.5R31 P60 Y61 I62 T63R31-K80 PolarHBondContact NH2-O 3.29Å; P60-K80 WeakPolarHBondContact O-CD 3.47Å; P60-K80 VanDerWaalsContact O-CE 3.26Å; P60-K80 WeakPolarHBondContact O-CE 3.34Å; P60-K80 PolarHBondContact O-NZ 3.45Å; Y61-K80 PolarHBondContact O-N 3.39Å; I62-K80 WeakPolarHBondContact O-CE 3.09Å; T63-K80 HydrophobicContact CG2-CG 3.91Å
81E96.6Very high95.4Very high147 Ų14756.8 Ų56.869%0.68728%0.283SS*.PPolyproline II helixtrans-55.8140.9170.8-71.1-57.5144.200110.8K145E81-K145 WeakPolarHBondContact O-CE 3.47Å; E81-K145 PolarHBondContact O-NZ 3.44Å
82P97.4Very high95.6Very high32 Ų3250.3 Ų50.321%0.20826%0.259CS..PPolyproline II helixtrans-65169.1177.730.8-32.7000110.7C24 H25 K145C24-P82 CarbonylContact O-C 3.55Å; C24-P82 WeakPolarHBondContact O-CA 3.15Å; C24-P82 WeakPolarHBondContact O-CB 3.46Å; H25-P82 WeakPolarHBondContact O-CB 3.46Å; P82-K145 PolarHBondContact O-NZ 3.46Å
83V97.8Very high95.6Very high1 Ų152.5 Ų52.51%0.00627%0.265CS..PPolyproline II helixtrans-63.7141.1165.563.70000109C24 P26 R85 F88 E142 K145 L146 L149C24-V83 WeakPolarHBondContact O-CG1 3.47Å; C24-V83 PolarHBondContact O-N 3.11Å; P26-V83 HydrophobicContact CB-CG1 4.42Å; P26-V83 WeakPolarHBondContact CB-O 3.43Å; P26-V83 HydrophobicContact CG-CG1 4.21Å; V83-R85 PolarHBondContact O-N 2.94Å; V83-F88 HydrophobicContact CG1-CB 4.14Å; V83-F88 HydrophobicContact CG1-CD2 3.95Å; V83-F88 HydrophobicContact CG1-CG 4.4Å; V83-E142 WeakPolarHBondContact CG2-OE2 3.32Å; V83-K145 HydrophobicContact CB-CB 4.01Å; V83-K145 HydrophobicContact CB-CD 4.02Å; V83-K145 HydrophobicContact CG2-CB 4.42Å; V83-L146 HydrophobicContact CG2-CD2 4.04Å; V83-L146 HydrophobicContact CG2-CG 4.27Å; V83-L149 HydrophobicContact CG1-CD1 4.1Å
84S97.6Very high95.6Very high41 Ų4146.2 Ų46.229%0.28723%0.232SC..PPolyproline II helixtrans-57.5133.4176.6176.30000111S86 I87 F88 E142S84-S86 VanDerWaalsContact C-N 3.28Å; S84-S86 PolarHBondContact O-N 3.09Å; S84-S86 PolarHBondContact OG-N 3.23Å; S84-S86 PolarHBondContact OG-OG 3.11Å; S84-I87 PolarHBondContact O-N 3.33Å; S84-F88 WeakPolarHBondContact O-CB 3.24Å; S84-F88 PolarHBondContact O-N 3.35Å; S84-E142 VanDerWaalsContact CB-OE1 3.24Å; S84-E142 WeakPolarHBondContact CB-OE1 3.15Å; S84-E142 PolarHBondContact N-OE1 3.08Å; S84-E142 PolarHBondContact N-OE2 2.91Å
85R96.8Very high95.4Very high110 Ų11054.6 Ų54.642%0.41527%0.266SS..Hα-helixtrans-60.7-38.4178.6174.1153.2-80.5-75.4-2.4112P26 V83 I87 F88 D89P26-R85 HydrophobicContact CB-CB 4.08Å; V83-R85 PolarHBondContact O-N 2.94Å; R85-I87 PolarHBondContact O-N 3.19Å; R85-F88 PolarHBondContact O-N 2.9Å; R85-D89 VanDerWaalsContact CG-OD2 3.25Å; R85-D89 WeakPolarHBondContact CG-OD2 2.96Å; R85-D89 IonicContact CZ-OD2 3.95Å; R85-D89 IonicContact NH1-OD1 3.06Å; R85-D89 PolarHBondContact NH1-OD1 3.37Å; R85-D89 IonicContact NH1-OD2 2.92Å; R85-D89 PolarHBondContact NH1-OD2 3.22Å; R85-D89 VanDerWaalsContact O-CB 3.3Å; R85-D89 WeakPolarHBondContact O-CB 3.26Å; R85-D89 PolarHBondContact O-N 2.89Å
86S96.7Very high95.3Very high53 Ų5357.9 Ų57.937%0.37128%0.283SS..Hα-helixtrans-63-44179.856.10000111.5S84 Y90S84-S86 VanDerWaalsContact C-N 3.28Å; S84-S86 PolarHBondContact O-N 3.09Å; S84-S86 PolarHBondContact OG-N 3.23Å; S84-S86 PolarHBondContact OG-OG 3.11Å; S86-Y90 WeakPolarHBondContact O-CB 3.37Å; S86-Y90 PolarHBondContact O-N 3.1Å
87I97.4Very high95.2Very high2 Ų255.4 Ų55.41%0.0127%0.27CS..Hα-helixtrans-68-47.7179.6-68.5171000110.1S84 R85 Y90 A91 L133 Q136 M138 E142 L146S84-I87 PolarHBondContact O-N 3.33Å; R85-I87 PolarHBondContact O-N 3.19Å; I87-Y90 PolarHBondContact O-N 2.94Å; I87-A91 WeakPolarHBondContact O-CB 3.49Å; I87-A91 PolarHBondContact O-N 3.36Å; I87-L133 HydrophobicContact CB-CD2 4.47Å; I87-L133 HydrophobicContact CG2-CD2 3.97Å; I87-Q136 HydrophobicContact CG1-CB 4.24Å; I87-M138 HydrophobicContact CD1-CB 3.84Å; I87-M138 HydrophobicContact CD1-CG 4.43Å; I87-M138 HydrophobicContact CG1-CB 4.45Å; I87-M138 HydrophobicContact CG2-CB 4.4Å; I87-M138 HydrophobicContact CG2-CG 4.06Å; I87-M138 HydrophobicContact CG2-SD 4.25Å; I87-E142 VanDerWaalsContact CB-OE2 3.28Å; I87-E142 WeakPolarHBondContact CB-OE2 3.29Å; I87-E142 HydrophobicContact CD1-CG 4.23Å; I87-E142 WeakPolarHBondContact CD1-OE2 3.43Å; I87-E142 VanDerWaalsContact CG2-OE2 3.24Å; I87-E142 WeakPolarHBondContact CG2-OE2 3.45Å; I87-L146 HydrophobicContact CG2-CD1 3.97Å
88F97.4Very high95.3Very high6 Ų653.2 Ų53.23%0.02626%0.258CS..Hα-helixtrans-58.6-51.4177-177.1-88.6000112.5H25 P26 V83 S84 R85 Y90 A91 L92 L146 L149 F152 M153H25-F88 AromaticContact NE2-CZ 3.75Å; P26-F88 HydrophobicContact CG-CB 4Å; P26-F88 HydrophobicContact CG-CD1 3.82Å; P26-F88 HydrophobicContact CG-CD2 4.16Å; P26-F88 HydrophobicContact CG-CE1 4.36Å; P26-F88 HydrophobicContact CG-CG 3.72Å; V83-F88 HydrophobicContact CG1-CB 4.14Å; V83-F88 HydrophobicContact CG1-CD2 3.95Å; V83-F88 HydrophobicContact CG1-CG 4.4Å; S84-F88 WeakPolarHBondContact O-CB 3.24Å; S84-F88 PolarHBondContact O-N 3.35Å; R85-F88 PolarHBondContact O-N 2.9Å; F88-Y90 VanDerWaalsContact C-N 3.31Å; F88-Y90 PolarHBondContact O-N 3.49Å; F88-A91 PolarHBondContact O-N 3.5Å; F88-L92 HydrophobicContact CE1-CD2 4.08Å; F88-L92 VanDerWaalsContact O-CB 3.31Å; F88-L92 WeakPolarHBondContact O-CB 3.26Å; F88-L92 PolarHBondContact O-N 3.5Å; F88-L146 HydrophobicContact CD2-CD2 4.26Å; F88-L149 HydrophobicContact CD2-CD1 4.25Å; F88-L149 HydrophobicContact CE2-CD1 3.96Å; F88-F152 HydrophobicContact CZ-CD1 4.41Å; F88-F152 HydrophobicContact CZ-CE1 4.09Å; F88-M153 HydrophobicContact CD2-CE 4Å; F88-M153 HydrophobicContact CD2-SD 3.8Å; F88-M153 HydrophobicContact CE2-CE 3.96Å; F88-M153 HydrophobicContact CE2-CG 3.61Å; F88-M153 HydrophobicContact CE2-SD 3.46Å; F88-M153 WeakPolarHBondContact CE2-SD 3.39Å; F88-M153 HydrophobicContact CG-CE 4.47Å; F88-M153 HydrophobicContact CZ-CE 4.41Å; F88-M153 HydrophobicContact CZ-CG 3.87Å; F88-M153 HydrophobicContact CZ-SD 4.23Å
89D95.6Very high95.2Very high46 Ų4653.3 Ų53.325%0.24626%0.258CS..Hα-helixtrans-67.2-33.9-178.2-72-22.8000111.3R85 R93R85-D89 VanDerWaalsContact CG-OD2 3.25Å; R85-D89 WeakPolarHBondContact CG-OD2 2.96Å; R85-D89 IonicContact CZ-OD2 3.95Å; R85-D89 IonicContact NH1-OD1 3.06Å; R85-D89 PolarHBondContact NH1-OD1 3.37Å; R85-D89 IonicContact NH1-OD2 2.92Å; R85-D89 PolarHBondContact NH1-OD2 3.22Å; R85-D89 VanDerWaalsContact O-CB 3.3Å; R85-D89 WeakPolarHBondContact O-CB 3.26Å; R85-D89 PolarHBondContact O-N 2.89Å; D89-R93 WeakPolarHBondContact O-CG 3.47Å; D89-R93 PolarHBondContact O-N 3.3Å; D89-R93 PolarHBondContact O-NE 3.27Å
90Y95.8Very high95.1Very high49 Ų4952.4 Ų52.419%0.19225%0.254CS..Hα-helixtrans-71.2-44.3176.9-167.1-102.1000112.3S86 I87 F88 L92 R93 L129 K132 L133S86-Y90 WeakPolarHBondContact O-CB 3.37Å; S86-Y90 PolarHBondContact O-N 3.1Å; I87-Y90 PolarHBondContact O-N 2.94Å; F88-Y90 VanDerWaalsContact C-N 3.31Å; F88-Y90 PolarHBondContact O-N 3.49Å; Y90-L92 VanDerWaalsContact C-N 3.34Å; Y90-L92 PolarHBondContact O-N 3.37Å; Y90-R93 PolarHBondContact O-N 3.43Å; Y90-L129 HydrophobicContact CD1-CD1 3.77Å; Y90-L129 HydrophobicContact CE1-CD1 3.19Å; Y90-L129 HydrophobicContact CE1-CG 4.18Å; Y90-K132 HydrophobicContact CE1-CB 3.81Å; Y90-K132 HydrophobicContact CE1-CD 4.46Å; Y90-K132 WeakPolarHBondContact OH-CD 3.32Å; Y90-L133 HydrophobicContact CD1-CD2 3.6Å; Y90-L133 HydrophobicContact CD1-CG 3.81Å; Y90-L133 HydrophobicContact CE1-CG 4.25Å; Y90-L133 HydrophobicContact CG-CD2 4.39Å
91A95.9Very high95.1Very high0 Ų048.8 Ų48.80%024%0.238CC..Hα-helixtrans-61-41.9173.300000112I87 F88 R93 S94 L100 L133 L146 M153I87-A91 WeakPolarHBondContact O-CB 3.49Å; I87-A91 PolarHBondContact O-N 3.36Å; F88-A91 PolarHBondContact O-N 3.5Å; A91-R93 PolarHBondContact O-N 2.84Å; A91-S94 VanDerWaalsContact O-CB 3.29Å; A91-S94 WeakPolarHBondContact O-CB 3.23Å; A91-S94 PolarHBondContact O-N 2.83Å; A91-S94 VanDerWaalsContact O-N 3.07Å; A91-L100 HydrophobicContact CB-CD2 3.84Å; A91-L133 HydrophobicContact CB-CD2 4.48Å; A91-L146 HydrophobicContact CB-CD1 4.41Å; A91-L146 HydrophobicContact CB-CD2 4.43Å; A91-M153 HydrophobicContact CB-CE 3.89Å
92L95.1Very high95Very high10 Ų1047 Ų475%0.05223%0.225CC..Hα-helixtrans-64.3-24.7179.6-17164.6000113.4F88 Y90 S94 I97 M153 N157F88-L92 HydrophobicContact CE1-CD2 4.08Å; F88-L92 VanDerWaalsContact O-CB 3.31Å; F88-L92 WeakPolarHBondContact O-CB 3.26Å; F88-L92 PolarHBondContact O-N 3.5Å; Y90-L92 VanDerWaalsContact C-N 3.34Å; Y90-L92 PolarHBondContact O-N 3.37Å; L92-S94 VanDerWaalsContact C-N 3.31Å; L92-I97 HydrophobicContact CD1-CD1 4.24Å; L92-M153 HydrophobicContact CB-CE 4.08Å; L92-M153 HydrophobicContact CD1-CB 4.13Å; L92-M153 HydrophobicContact CD1-CE 4.43Å; L92-M153 HydrophobicContact CD1-CG 4.45Å; L92-M153 WeakPolarHBondContact CD1-O 3.45Å; L92-N157 HydrophobicContact CD1-CB 4.17Å; L92-N157 PolarHBondContact O-ND2 2.93Å
93R91.3Very high94.9Very high168 Ų16845.9 Ų45.963%0.63422%0.217SC*.THydrogen-bonded Turntrans-81.9-2.7175.9-76.1-176.3-64.6-121.1-4.7114D89 Y90 A91 K95D89-R93 WeakPolarHBondContact O-CG 3.47Å; D89-R93 PolarHBondContact O-N 3.3Å; D89-R93 PolarHBondContact O-NE 3.27Å; Y90-R93 PolarHBondContact O-N 3.43Å; A91-R93 PolarHBondContact O-N 2.84Å; R93-K95 PolarHBondContact O-N 2.84Å
94S91.6Very high94.8Very high10 Ų1045.9 Ų45.97%0.0722%0.217CC..  trans-57.5133.7176.1-173.10000110.8A91 L92 D96 I97 N157A91-S94 VanDerWaalsContact O-CB 3.29Å; A91-S94 WeakPolarHBondContact O-CB 3.23Å; A91-S94 PolarHBondContact O-N 2.83Å; A91-S94 VanDerWaalsContact O-N 3.07Å; L92-S94 VanDerWaalsContact C-N 3.31Å; S94-D96 VanDerWaalsContact C-N 3.32Å; S94-D96 VanDerWaalsContact OG-C 3.23Å; S94-D96 PolarHBondContact OG-N 2.8Å; S94-D96 PolarHBondContact OG-O 3.08Å; S94-D96 VanDerWaalsContact OG-O 3.1Å; S94-I97 PolarHBondContact OG-N 3.24Å; S94-N157 PolarHBondContact O-ND2 2.84Å
95K89.3Confident94.7Very high217 Ų21747.4 Ų47.494%0.94322%0.219SC*.THydrogen-bonded Turntrans-66.7-38.6173.3-67.9-173.3178.5-175.50111.2R93R93-K95 PolarHBondContact O-N 2.84Å
96D91.1Very high94.5Very high69 Ų6944.2 Ų44.237%0.36921%0.21SC..THydrogen-bonded Turntrans-117.277.4172.3-174.2-1.6000109.5S94 A98 S99 L100 I126S94-D96 VanDerWaalsContact C-N 3.32Å; S94-D96 VanDerWaalsContact OG-C 3.23Å; S94-D96 PolarHBondContact OG-N 2.8Å; S94-D96 PolarHBondContact OG-O 3.08Å; S94-D96 VanDerWaalsContact OG-O 3.1Å; D96-A98 PolarHBondContact O-N 3.06Å; D96-A98 WeakPolarHBondContact OD1-CB 3.31Å; D96-A98 PolarHBondContact OD1-N 3.13Å; D96-S99 PolarHBondContact OD1-N 3.2Å; D96-S99 WeakPolarHBondContact OD2-CB 3.37Å; D96-L100 PolarHBondContact O-N 2.89Å; D96-I126 HydrophobicContact CB-CD1 4.44Å; D96-I126 WeakPolarHBondContact O-CD1 3.49Å
97I94.3Very high94.4Very high6 Ų645.5 Ų45.53%0.03121%0.206CC..Hα-helixtrans-66.6-25.2176.4-170.3166.7000112.1L92 S94 L100 F101 M153 M154 N157L92-I97 HydrophobicContact CD1-CD1 4.24Å; S94-I97 PolarHBondContact OG-N 3.24Å; I97-L100 PolarHBondContact O-N 2.78Å; I97-F101 HydrophobicContact CD1-CE2 3.79Å; I97-F101 HydrophobicContact CG1-CD2 3.76Å; I97-F101 HydrophobicContact CG1-CE2 3.51Å; I97-F101 WeakPolarHBondContact O-CD2 3.21Å; I97-F101 PolarHBondContact O-N 2.8Å; I97-F101 VanDerWaalsContact O-N 3.07Å; I97-M153 HydrophobicContact CD1-CB 4.06Å; I97-M154 HydrophobicContact CB-SD 4.32Å; I97-M154 HydrophobicContact CG1-SD 4.23Å; I97-M154 HydrophobicContact CG2-CE 4.35Å; I97-M154 HydrophobicContact CG2-SD 3.52Å; I97-M154 VanDerWaalsContact CG2-SD 3.52Å; I97-N157 HydrophobicContact CB-CB 4.5Å; I97-N157 HydrophobicContact CD1-CB 3.93Å; I97-N157 HydrophobicContact CG2-CB 3.82Å; I97-N157 VanDerWaalsContact CG2-CG 3.45Å; I97-N157 VanDerWaalsContact CG2-OD1 3.26Å; I97-N157 WeakPolarHBondContact CG2-OD1 3.03Å
98A94.3Very high94.3Very high47 Ų4747.5 Ų47.539%0.38822%0.216SC..Hα-helixtrans-66.1-47.8176.600000111.3D96 L100 F101 R102 M154D96-A98 PolarHBondContact O-N 3.06Å; D96-A98 WeakPolarHBondContact OD1-CB 3.31Å; D96-A98 PolarHBondContact OD1-N 3.13Å; A98-L100 VanDerWaalsContact C-N 3.3Å; A98-L100 PolarHBondContact O-N 3.3Å; A98-F101 PolarHBondContact O-N 3.28Å; A98-R102 PolarHBondContact O-N 3.45Å; A98-M154 HydrophobicContact CB-CE 3.8Å; A98-M154 HydrophobicContact CB-SD 4.31Å
99S94Very high94.1Very high7 Ų751 Ų515%0.04923%0.231CC..Hα-helixtrans-65.5-34.4178-174.10000112D96 R102 H103D96-S99 PolarHBondContact OD1-N 3.2Å; D96-S99 WeakPolarHBondContact OD2-CB 3.37Å; S99-R102 PolarHBondContact O-N 3.44Å; S99-R102 PolarHBondContact OG-NH2 3.44Å; S99-H103 PolarHBondContact O-N 3.26Å; S99-H103 VanDerWaalsContact O-N 3.13Å; S99-H103 PolarHBondContact O-ND1 3.36Å
100L94.8Very high94Very high0 Ų053.3 Ų53.30%024%0.239CC..Hα-helixtrans-57.3-54169.917364.7000111.1A91 D96 I97 A98 R102 H103 L104 L129 L130 L133A91-L100 HydrophobicContact CB-CD2 3.84Å; D96-L100 PolarHBondContact O-N 2.89Å; I97-L100 PolarHBondContact O-N 2.78Å; A98-L100 VanDerWaalsContact C-N 3.3Å; A98-L100 PolarHBondContact O-N 3.3Å; L100-R102 VanDerWaalsContact C-N 3.3Å; L100-R102 PolarHBondContact O-N 3.31Å; L100-H103 PolarHBondContact O-N 3.21Å; L100-H103 VanDerWaalsContact O-N 3.11Å; L100-L104 HydrophobicContact CD1-CD1 4.33Å; L100-L104 HydrophobicContact CD1-CG 4.21Å; L100-L104 HydrophobicContact CG-CD1 4.26Å; L100-L104 HydrophobicContact CG-CG 4.46Å; L100-L104 WeakPolarHBondContact O-CG 3.41Å; L100-L104 PolarHBondContact O-N 3.4Å; L100-L129 HydrophobicContact CB-CD2 4.32Å; L100-L129 HydrophobicContact CD1-CD2 4.05Å; L100-L129 HydrophobicContact CD2-CD2 3.97Å; L100-L129 HydrophobicContact CG-CD2 4.33Å; L100-L130 HydrophobicContact CD1-CD2 3.55Å; L100-L130 HydrophobicContact CD1-CG 4.11Å; L100-L133 HydrophobicContact CD1-CD1 4.14Å
101F96.4Very high93.9Very high4 Ų454.2 Ų54.22%0.01824%0.242CC..Hα-helixtrans-65.2-32.8-179.3-79.7-60.1000113.3I97 A98 H103 L104 H105 L146 L147 K150 M153 M154I97-F101 HydrophobicContact CD1-CE2 3.79Å; I97-F101 HydrophobicContact CG1-CD2 3.76Å; I97-F101 HydrophobicContact CG1-CE2 3.51Å; I97-F101 WeakPolarHBondContact O-CD2 3.21Å; I97-F101 PolarHBondContact O-N 2.8Å; I97-F101 VanDerWaalsContact O-N 3.07Å; A98-F101 PolarHBondContact O-N 3.28Å; F101-H103 VanDerWaalsContact C-N 3.3Å; F101-H103 PolarHBondContact O-N 3.49Å; F101-L104 HydrophobicContact CD1-CD1 4.18Å; F101-L104 HydrophobicContact CE1-CD1 4.38Å; F101-L104 PolarHBondContact O-N 3.47Å; F101-H105 VanDerWaalsContact O-CB 3.3Å; F101-H105 WeakPolarHBondContact O-CB 3.42Å; F101-H105 PolarHBondContact O-N 3.25Å; F101-L146 HydrophobicContact CE1-CB 4.21Å; F101-L146 VanDerWaalsContact CE1-O 3.26Å; F101-L146 WeakPolarHBondContact CE1-O 3.34Å; F101-L147 HydrophobicContact CD1-CD2 4.1Å; F101-K150 HydrophobicContact CB-CD 4.26Å; F101-K150 HydrophobicContact CB-CG 4.26Å; F101-K150 HydrophobicContact CD1-CB 4.03Å; F101-K150 HydrophobicContact CD1-CD 4.44Å; F101-K150 HydrophobicContact CD1-CG 3.95Å; F101-K150 HydrophobicContact CD2-CB 4.5Å; F101-K150 HydrophobicContact CD2-CG 3.84Å; F101-K150 HydrophobicContact CE1-CB 3.91Å; F101-K150 HydrophobicContact CE1-CG 4.23Å; F101-K150 HydrophobicContact CE2-CB 4.36Å; F101-K150 HydrophobicContact CE2-CG 4.1Å; F101-K150 HydrophobicContact CG-CB 4.34Å; F101-K150 HydrophobicContact CG-CD 4.26Å; F101-K150 HydrophobicContact CG-CG 3.76Å; F101-K150 HydrophobicContact CZ-CB 4.08Å; F101-K150 HydrophobicContact CZ-CG 4.3Å; F101-M153 HydrophobicContact CE2-CB 4Å; F101-M153 HydrophobicContact CZ-CB 3.97Å; F101-M153 HydrophobicContact CZ-CE 4.3Å; F101-M153 HydrophobicContact CZ-CG 4.44Å; F101-M153 HydrophobicContact CZ-SD 3.76Å; F101-M154 HydrophobicContact CD2-CG 4.11Å; F101-M154 HydrophobicContact CD2-SD 3.89Å; F101-M154 HydrophobicContact CE2-CG 4.23Å; F101-M154 HydrophobicContact CE2-SD 4.35Å
102R94.8Very high93.7Very high109 Ų10959.5 Ų59.541%0.41127%0.27SS..Hα-helixtrans-56-47.6171.1179.6175.261.6135.8-4.2110.4A98 S99 L100 H105 M106 E122A98-R102 PolarHBondContact O-N 3.45Å; S99-R102 PolarHBondContact O-N 3.44Å; S99-R102 PolarHBondContact OG-NH2 3.44Å; L100-R102 VanDerWaalsContact C-N 3.3Å; L100-R102 PolarHBondContact O-N 3.31Å; R102-H105 PolarHBondContact O-N 3.46Å; R102-M106 WeakPolarHBondContact O-CG 3.34Å; R102-M106 PolarHBondContact O-N 3.07Å; R102-M106 VanDerWaalsContact O-N 3.1Å; R102-E122 IonicContact CZ-OE2 4Å; R102-E122 IonicContact NH1-OE1 3.79Å; R102-E122 PolarHBondContact NH1-OE1 3.26Å; R102-E122 IonicContact NH1-OE2 3.39Å; R102-E122 PolarHBondContact NH1-OE2 3.16Å; R102-E122 IonicContact NH2-OE2 3.2Å; R102-E122 PolarHBondContact NH2-OE2 3.26Å
103H94.3Very high93.4Very high9 Ų962.1 Ų62.14%0.04230%0.3CS..Hα-helixtrans-68.2-44178.8-75.889.6000113.3S99 L100 F101 H105 M106 R107 P121 L130S99-H103 PolarHBondContact O-N 3.26Å; S99-H103 VanDerWaalsContact O-N 3.13Å; S99-H103 PolarHBondContact O-ND1 3.36Å; L100-H103 PolarHBondContact O-N 3.21Å; L100-H103 VanDerWaalsContact O-N 3.11Å; F101-H103 VanDerWaalsContact C-N 3.3Å; F101-H103 PolarHBondContact O-N 3.49Å; H103-H105 PolarHBondContact O-N 2.64Å; H103-M106 PolarHBondContact O-N 3.2Å; H103-M106 VanDerWaalsContact O-N 3.17Å; H103-R107 WeakPolarHBondContact O-CG 3.28Å; H103-R107 PolarHBondContact O-N 3.26Å; H103-P121 VanDerWaalsContact NE2-CA 3.27Å; H103-P121 WeakPolarHBondContact NE2-CA 3.14Å; H103-L130 HydrophobicContact CB-CD1 4.21Å
104L95.6Very high93.4Very high0 Ų058.3 Ų58.30%030%0.299CS..Hα-helixtrans-58.4-39.4175.5-65.8-176.3000111.3L100 F101 R107 Q108 L130 M138 E143 L146 L147L100-L104 HydrophobicContact CD1-CD1 4.33Å; L100-L104 HydrophobicContact CD1-CG 4.21Å; L100-L104 HydrophobicContact CG-CD1 4.26Å; L100-L104 HydrophobicContact CG-CG 4.46Å; L100-L104 WeakPolarHBondContact O-CG 3.41Å; L100-L104 PolarHBondContact O-N 3.4Å; F101-L104 HydrophobicContact CD1-CD1 4.18Å; F101-L104 HydrophobicContact CE1-CD1 4.38Å; F101-L104 PolarHBondContact O-N 3.47Å; L104-R107 WeakPolarHBondContact O-CB 3.26Å; L104-R107 PolarHBondContact O-N 3.16Å; L104-Q108 PolarHBondContact O-N 3.27Å; L104-L130 HydrophobicContact CD2-CD2 3.86Å; L104-M138 HydrophobicContact CD2-CE 4.13Å; L104-E143 HydrophobicContact CD2-CB 4.39Å; L104-E143 HydrophobicContact CD2-CG 3.9Å; L104-L146 HydrophobicContact CD1-CB 4.29Å; L104-L146 HydrophobicContact CD1-CD1 4.11Å; L104-L147 HydrophobicContact CB-CD1 4.34Å; L104-L147 HydrophobicContact CB-CD2 3.97Å; L104-L147 HydrophobicContact CB-CG 4.14Å
105H95.1Very high93.2Very high73 Ų7360.7 Ų60.734%0.33831%0.31SS..Hα-helixtrans-68.9-35.9177.8-165.861.8000112.9F101 R102 H103 Q108 K109 L147F101-H105 VanDerWaalsContact O-CB 3.3Å; F101-H105 WeakPolarHBondContact O-CB 3.42Å; F101-H105 PolarHBondContact O-N 3.25Å; R102-H105 PolarHBondContact O-N 3.46Å; H103-H105 PolarHBondContact O-N 2.64Å; H105-Q108 PolarHBondContact ND1-OE1 3.3Å; H105-Q108 PolarHBondContact O-N 2.94Å; H105-K109 VanDerWaalsContact NE2-CE 3.28Å; H105-K109 WeakPolarHBondContact NE2-CE 3.28Å; H105-K109 WeakPolarHBondContact O-CG 3.35Å; H105-K109 PolarHBondContact O-N 3.44Å; H105-L147 HydrophobicContact CB-CD2 4.06Å
106M94.1Very high92.8Very high44 Ų4458.9 Ų58.922%0.21731%0.31CS..Hα-helixtrans-63.9-41.2172.1-67.1-59.69700111.7R102 H103 K109 K110 L115R102-M106 WeakPolarHBondContact O-CG 3.34Å; R102-M106 PolarHBondContact O-N 3.07Å; R102-M106 VanDerWaalsContact O-N 3.1Å; H103-M106 PolarHBondContact O-N 3.2Å; H103-M106 VanDerWaalsContact O-N 3.17Å; M106-K109 HydrophobicContact CE-CD 3.93Å; M106-K109 PolarHBondContact O-N 3.03Å; M106-K110 PolarHBondContact O-N 3.38Å; M106-L115 HydrophobicContact CB-CD1 4.45Å; M106-L115 HydrophobicContact CE-CD1 4.31Å; M106-L115 HydrophobicContact SD-CD1 3.52Å; M106-L115 VanDerWaalsContact SD-CD1 3.52Å
107R93.9Very high92.5Very high79 Ų7960.6 Ų60.630%0.29832%0.319SS..Hα-helixtrans-61.2-45.5175.2-68.8170.262.583.8-2.6111.6H103 L104 K109 K110 R111 E143H103-R107 WeakPolarHBondContact O-CG 3.28Å; H103-R107 PolarHBondContact O-N 3.26Å; L104-R107 WeakPolarHBondContact O-CB 3.26Å; L104-R107 PolarHBondContact O-N 3.16Å; R107-K109 PolarHBondContact O-N 3.48Å; R107-K110 WeakPolarHBondContact O-CB 3.24Å; R107-K110 PolarHBondContact O-N 3.19Å; R107-R111 WeakPolarHBondContact O-CG 3.4Å; R107-R111 PolarHBondContact O-N 3.48Å; R107-E143 IonicContact CZ-OE1 2.76Å; R107-E143 IonicContact NE-OE1 3.33Å; R107-E143 PolarHBondContact NE-OE1 3.08Å; R107-E143 IonicContact NE-OE2 2.75Å; R107-E143 PolarHBondContact NE-OE2 3.04Å; R107-E143 IonicContact NH2-OE1 3.98Å; R107-E143 PolarHBondContact NH2-OE1 3.23Å; R107-E143 IonicContact NH2-OE2 3.22Å
108Q95.4Very high92Very high45 Ų4561.6 Ų61.621%0.2133%0.326CS..Hα-helixtrans-59.9-44.2175-174.5-176.26000111.9L104 H105 K110 R111 N112 D144 L147L104-Q108 PolarHBondContact O-N 3.27Å; H105-Q108 PolarHBondContact ND1-OE1 3.3Å; H105-Q108 PolarHBondContact O-N 2.94Å; Q108-K110 VanDerWaalsContact C-N 3.34Å; Q108-K110 PolarHBondContact O-N 3.4Å; Q108-R111 PolarHBondContact O-N 3.25Å; Q108-N112 VanDerWaalsContact O-CG 3.29Å; Q108-N112 PolarHBondContact O-N 3.14Å; Q108-N112 PolarHBondContact O-OD1 3.08Å; Q108-D144 PolarHBondContact NE2-OD1 3.46Å; Q108-L147 HydrophobicContact CB-CD1 3.83Å; Q108-L147 HydrophobicContact CG-CD1 4.25Å
109K93.7Very high91.6Very high78 Ų7862.8 Ų62.834%0.33933%0.33SS..Hα-helixtrans-62.9-38176.5-78-174.5177.2-179.50113.1H105 M106 R107 N112 G113 S114 L115H105-K109 VanDerWaalsContact NE2-CE 3.28Å; H105-K109 WeakPolarHBondContact NE2-CE 3.28Å; H105-K109 WeakPolarHBondContact O-CG 3.35Å; H105-K109 PolarHBondContact O-N 3.44Å; M106-K109 HydrophobicContact CE-CD 3.93Å; M106-K109 PolarHBondContact O-N 3.03Å; R107-K109 PolarHBondContact O-N 3.48Å; K109-N112 PolarHBondContact O-N 3.44Å; K109-G113 PolarHBondContact O-N 3.44Å; K109-S114 PolarHBondContact O-N 3.13Å; K109-L115 HydrophobicContact CB-CB 4.32Å; K109-L115 HydrophobicContact CB-CD1 3.65Å; K109-L115 HydrophobicContact CB-CG 3.82Å; K109-L115 HydrophobicContact CD-CD1 4Å; K109-L115 HydrophobicContact CD-CG 4.3Å; K109-L115 HydrophobicContact CG-CD1 4.49Å; K109-L115 PolarHBondContact O-N 2.84Å
110K93.6Very high91Very high95 Ų9567.6 Ų67.641%0.41336%0.361SS..Hα-helixtrans-61.4-46.8173.3-179.4178.9-179.91680110.9M106 R107 Q108 N112 G113 D117 C118M106-K110 PolarHBondContact O-N 3.38Å; R107-K110 WeakPolarHBondContact O-CB 3.24Å; R107-K110 PolarHBondContact O-N 3.19Å; Q108-K110 VanDerWaalsContact C-N 3.34Å; Q108-K110 PolarHBondContact O-N 3.4Å; K110-N112 VanDerWaalsContact C-N 3.3Å; K110-N112 PolarHBondContact O-N 3.24Å; K110-G113 PolarHBondContact O-N 3.38Å; K110-G113 VanDerWaalsContact O-N 3.08Å; K110-D117 IonicContact NZ-OD1 2.74Å; K110-D117 PolarHBondContact NZ-OD1 2.86Å; K110-C118 HydrophobicContact CB-CB 4.45Å; K110-C118 HydrophobicContact CD-CB 3.87Å
111R93.8Very high90.5Very high68 Ų6869.3 Ų69.326%0.25737%0.373SS..Hα-helixtrans-59.5-40.9176-68-166.2-59.2-99.26.4112.4R107 Q108 G113 E140 E143 D144R107-R111 WeakPolarHBondContact O-CG 3.4Å; R107-R111 PolarHBondContact O-N 3.48Å; Q108-R111 PolarHBondContact O-N 3.25Å; R111-G113 PolarHBondContact O-N 3.27Å; R111-E140 WeakPolarHBondContact CD-OE1 3.42Å; R111-E140 WeakPolarHBondContact CD-OE2 3.45Å; R111-E140 IonicContact NE-OE2 2.87Å; R111-E143 IonicContact CZ-OE2 2.77Å; R111-E143 IonicContact NH1-OE2 2.92Å; R111-E143 PolarHBondContact NH1-OE2 3.07Å; R111-E143 IonicContact NH2-OE2 3.92Å; R111-D144 VanDerWaalsContact NH2-CG 3.35Å; R111-D144 IonicContact NH2-OD1 2.8Å; R111-D144 PolarHBondContact NH2-OD1 2.88Å; R111-D144 IonicContact NH2-OD2 3.41Å; R111-D144 PolarHBondContact NH2-OD2 3.27Å
112N91.4Very high89.7Confident112 Ų11276.2 Ų76.260%0.59941%0.405SS*.THydrogen-bonded Turntrans-77.86.3178.9-63.8-3000113.4Q108 K109 K110 S114Q108-N112 VanDerWaalsContact O-CG 3.29Å; Q108-N112 PolarHBondContact O-N 3.14Å; Q108-N112 PolarHBondContact O-OD1 3.08Å; K109-N112 PolarHBondContact O-N 3.44Å; K110-N112 VanDerWaalsContact C-N 3.3Å; K110-N112 PolarHBondContact O-N 3.24Å; N112-S114 PolarHBondContact O-N 3.31Å; N112-S114 VanDerWaalsContact O-N 3.16Å
113G89.6Confident89.3Confident65 Ų6573.6 Ų73.667%0.6740%0.399SS*.THydrogen-bonded Turntrans698.3-179.600000114.9K109 K110 R111 L115K109-G113 PolarHBondContact O-N 3.44Å; K110-G113 PolarHBondContact O-N 3.38Å; K110-G113 VanDerWaalsContact O-N 3.08Å; R111-G113 PolarHBondContact O-N 3.27Å; G113-L115 VanDerWaalsContact C-N 3.32Å
114S89.5Confident89.1Confident87 Ų8777.3 Ų77.361%0.60842%0.424SS*.SBendtrans-82-11.3179.2-58.60000113.2K109 N112K109-S114 PolarHBondContact O-N 3.13Å; N112-S114 PolarHBondContact O-N 3.31Å; N112-S114 VanDerWaalsContact O-N 3.16Å
115L88Confident88.9Confident61 Ų6181.1 Ų81.132%0.31945%0.447SS..  trans-136.4137.3174-73.2178.4000110M106 K109 G113M106-L115 HydrophobicContact CB-CD1 4.45Å; M106-L115 HydrophobicContact CE-CD1 4.31Å; M106-L115 HydrophobicContact SD-CD1 3.52Å; M106-L115 VanDerWaalsContact SD-CD1 3.52Å; K109-L115 HydrophobicContact CB-CB 4.32Å; K109-L115 HydrophobicContact CB-CD1 3.65Å; K109-L115 HydrophobicContact CB-CG 3.82Å; K109-L115 HydrophobicContact CD-CD1 4Å; K109-L115 HydrophobicContact CD-CG 4.3Å; K109-L115 HydrophobicContact CG-CD1 4.49Å; K109-L115 PolarHBondContact O-N 2.84Å; G113-L115 VanDerWaalsContact C-N 3.32Å
116L80.8Confident88.7Confident179 Ų17977.7 Ų77.794%0.93743%0.431SS*.SBendtrans-69.7-41.7178.8-71.3164.4000112
117D85Confident88.6Confident105 Ų10577.4 Ų77.456%0.56144%0.436SS*.  trans-145154.4175.4-161.320.3000112.3K110K110-D117 IonicContact NZ-OD1 2.74Å; K110-D117 PolarHBondContact NZ-OD1 2.86Å
118C83.8Confident88.6Confident26 Ų2679.6 Ų79.618%0.17645%0.45CS..  trans-100.6114.2176.8-178.20000107.7K110K110-C118 HydrophobicContact CB-CB 4.45Å; K110-C118 HydrophobicContact CD-CB 3.87Å
119P84.9Confident88.5Confident73 Ų7378.3 Ų78.347%0.47444%0.444SS..PPolyproline II helixtrans-61.4150.3178.926.6-33.7000110.6
120P81.9Confident88.4Confident108 Ų10875.4 Ų75.470%0.70143%0.432SS*.PPolyproline II helixtrans-64.6152.8173.528.5-34000110.3E122P120-E122 PolarHBondContact O-N 2.83Å
121P84.8Confident88.4Confident36 Ų3678.7 Ų78.723%0.23445%0.446CS..PPolyproline II helixtrans-58.7125.6176.3-21.532000113.3H103 D123 I126 A127 L130H103-P121 VanDerWaalsContact NE2-CA 3.27Å; H103-P121 WeakPolarHBondContact NE2-CA 3.14Å; P121-D123 PolarHBondContact O-N 2.96Å; P121-I126 HydrophobicContact CB-CB 4.18Å; P121-I126 HydrophobicContact CB-CG2 4.02Å; P121-I126 HydrophobicContact CG-CG2 4.43Å; P121-A127 HydrophobicContact CB-CB 4.15Å; P121-A127 HydrophobicContact CG-CB 4.12Å; P121-L130 HydrophobicContact CG-CD1 3.82Å
122E79.8Confident88.5Confident149 Ų14980.8 Ų80.870%0.69646%0.457SS*.SBendtrans-58.2-36.1176.8-66.6166.2171.800111.5R102 P120R102-E122 IonicContact CZ-OE2 4Å; R102-E122 IonicContact NH1-OE1 3.79Å; R102-E122 PolarHBondContact NH1-OE1 3.26Å; R102-E122 IonicContact NH1-OE2 3.39Å; R102-E122 PolarHBondContact NH1-OE2 3.16Å; R102-E122 IonicContact NH2-OE2 3.2Å; R102-E122 PolarHBondContact NH2-OE2 3.26Å; P120-E122 PolarHBondContact O-N 2.83Å
123D86.9Confident88.7Confident53 Ų5375.5 Ų75.528%0.28343%0.429SS..SBendtrans-96.7122.3179.4-175-18.7000110.8P121 T125 I126 A127P121-D123 PolarHBondContact O-N 2.96Å; D123-T125 PolarHBondContact O-N 3.37Å; D123-T125 WeakPolarHBondContact OD1-CB 2.92Å; D123-T125 WeakPolarHBondContact OD1-CG2 3.26Å; D123-T125 PolarHBondContact OD1-N 3.36Å; D123-T125 PolarHBondContact OD1-OG1 3.44Å; D123-T125 PolarHBondContact OD2-OG1 2.9Å; D123-I126 HydrophobicContact CB-CB 4.36Å; D123-I126 HydrophobicContact CB-CG1 3.96Å; D123-I126 PolarHBondContact O-N 3.43Å; D123-I126 VanDerWaalsContact O-N 3.1Å; D123-A127 PolarHBondContact O-N 2.99Å; D123-A127 VanDerWaalsContact O-N 3.16Å
124P88.9Confident88.9Confident87 Ų8776.2 Ų76.257%0.56542%0.417SS*.Hα-helixtrans-60-27.1177.526-35.7000113.1A127 Q128P124-A127 PolarHBondContact O-N 3.2Å; P124-Q128 VanDerWaalsContact O-CG 3.3Å; P124-Q128 WeakPolarHBondContact O-CG 3.4Å; P124-Q128 PolarHBondContact O-N 3.27Å
125T91Very high89.2Confident80 Ų8076.8 Ų76.849%0.49142%0.421SS..Hα-helixtrans-67.6-39177.169.50000111.5D123 Q128 L129D123-T125 PolarHBondContact O-N 3.37Å; D123-T125 WeakPolarHBondContact OD1-CB 2.92Å; D123-T125 WeakPolarHBondContact OD1-CG2 3.26Å; D123-T125 PolarHBondContact OD1-N 3.36Å; D123-T125 PolarHBondContact OD1-OG1 3.44Å; D123-T125 PolarHBondContact OD2-OG1 2.9Å; T125-Q128 PolarHBondContact O-N 2.94Å; T125-L129 WeakPolarHBondContact O-CB 3.36Å; T125-L129 PolarHBondContact O-N 3.48Å
126I91.9Very high89.5Confident1 Ų177.8 Ų77.81%0.00542%0.424CS..Hα-helixtrans-69.6-39.8175.9-60.2-63.7000110.5D96 P121 D123 Q128 L129 L130D96-I126 HydrophobicContact CB-CD1 4.44Å; D96-I126 WeakPolarHBondContact O-CD1 3.49Å; P121-I126 HydrophobicContact CB-CB 4.18Å; P121-I126 HydrophobicContact CB-CG2 4.02Å; P121-I126 HydrophobicContact CG-CG2 4.43Å; D123-I126 HydrophobicContact CB-CB 4.36Å; D123-I126 HydrophobicContact CB-CG1 3.96Å; D123-I126 PolarHBondContact O-N 3.43Å; D123-I126 VanDerWaalsContact O-N 3.1Å; I126-Q128 PolarHBondContact O-N 3.36Å; I126-L129 HydrophobicContact CD1-CD2 4.41Å; I126-L129 WeakPolarHBondContact O-CB 3.29Å; I126-L129 PolarHBondContact O-N 3.03Å; I126-L130 HydrophobicContact CG2-CD1 4.16Å; I126-L130 HydrophobicContact CG2-CG 4.49Å; I126-L130 WeakPolarHBondContact O-CB 3.1Å; I126-L130 WeakPolarHBondContact O-CG 3.21Å; I126-L130 PolarHBondContact O-N 3.24Å
127A91.6Very high90.1Very high38 Ų3871.4 Ų71.431%0.31440%0.402SS..Hα-helixtrans-59.8-44.6173.700000112.1P121 D123 P124 L130 K131P121-A127 HydrophobicContact CB-CB 4.15Å; P121-A127 HydrophobicContact CG-CB 4.12Å; D123-A127 PolarHBondContact O-N 2.99Å; D123-A127 VanDerWaalsContact O-N 3.16Å; P124-A127 PolarHBondContact O-N 3.2Å; A127-L130 PolarHBondContact O-N 3.47Å; A127-K131 WeakPolarHBondContact O-CB 3.37Å; A127-K131 PolarHBondContact O-N 3.14Å
128Q93.3Very high90.6Very high126 Ų12666.9 Ų66.959%0.58938%0.378SS*.Hα-helixtrans-65.6-39.9175.7-71.9175.48.300112.4P124 T125 I126 K131 K132P124-Q128 VanDerWaalsContact O-CG 3.3Å; P124-Q128 WeakPolarHBondContact O-CG 3.4Å; P124-Q128 PolarHBondContact O-N 3.27Å; T125-Q128 PolarHBondContact O-N 2.94Å; I126-Q128 PolarHBondContact O-N 3.36Å; Q128-K131 PolarHBondContact O-N 2.9Å; Q128-K132 WeakPolarHBondContact O-CG 3.35Å; Q128-K132 PolarHBondContact O-N 3.13Å
129L93.8Very high91.2Very high17 Ų1768.7 Ų68.79%0.08939%0.388CS..Hα-helixtrans-59.9-49.5176.2-178.575.2000111Y90 L100 T125 I126 K132 L133Y90-L129 HydrophobicContact CD1-CD1 3.77Å; Y90-L129 HydrophobicContact CE1-CD1 3.19Å; Y90-L129 HydrophobicContact CE1-CG 4.18Å; L100-L129 HydrophobicContact CB-CD2 4.32Å; L100-L129 HydrophobicContact CD1-CD2 4.05Å; L100-L129 HydrophobicContact CD2-CD2 3.97Å; L100-L129 HydrophobicContact CG-CD2 4.33Å; T125-L129 WeakPolarHBondContact O-CB 3.36Å; T125-L129 PolarHBondContact O-N 3.48Å; I126-L129 HydrophobicContact CD1-CD2 4.41Å; I126-L129 WeakPolarHBondContact O-CB 3.29Å; I126-L129 PolarHBondContact O-N 3.03Å; L129-K132 PolarHBondContact O-N 3.46Å; L129-L133 HydrophobicContact CG-CD1 4.25Å; L129-L133 WeakPolarHBondContact O-CG 3.43Å; L129-L133 PolarHBondContact O-N 3.4Å
130L92.9Very high91.7Very high18 Ų1870.5 Ų70.59%0.09439%0.39CS..Hα-helixtrans-61-44.7176.8-74.7171000111.7L100 H103 L104 P121 I126 A127 K132 L133 L134 M138L100-L130 HydrophobicContact CD1-CD2 3.55Å; L100-L130 HydrophobicContact CD1-CG 4.11Å; H103-L130 HydrophobicContact CB-CD1 4.21Å; L104-L130 HydrophobicContact CD2-CD2 3.86Å; P121-L130 HydrophobicContact CG-CD1 3.82Å; I126-L130 HydrophobicContact CG2-CD1 4.16Å; I126-L130 HydrophobicContact CG2-CG 4.49Å; I126-L130 WeakPolarHBondContact O-CB 3.1Å; I126-L130 WeakPolarHBondContact O-CG 3.21Å; I126-L130 PolarHBondContact O-N 3.24Å; A127-L130 PolarHBondContact O-N 3.47Å; L130-K132 VanDerWaalsContact C-N 3.26Å; L130-K132 PolarHBondContact O-N 3.45Å; L130-L133 HydrophobicContact CD2-CD1 4.44Å; L130-L133 PolarHBondContact O-N 2.9Å; L130-L134 WeakPolarHBondContact O-CG 3.43Å; L130-L134 PolarHBondContact O-N 3.29Å; L130-M138 HydrophobicContact CD2-CE 4.34Å
131K93.6Very high92.3Very high163 Ų16371.7 Ų71.771%0.70939%0.386SS*.Hα-helixtrans-58.1-40.3176.1-171.7175.5-178.8177.40111.9A127 Q128 S135A127-K131 WeakPolarHBondContact O-CB 3.37Å; A127-K131 PolarHBondContact O-N 3.14Å; Q128-K131 PolarHBondContact O-N 2.9Å; K131-S135 PolarHBondContact O-N 3.28Å
132K95.3Very high92.9Very high113 Ų11371 Ų7149%0.49138%0.38SS..Hα-helixtrans-68.3-43.3175.8-77.2178.8174.4-178.40112.5Y90 Q128 L129 L130 L134 S135 Q136Y90-K132 HydrophobicContact CE1-CB 3.81Å; Y90-K132 HydrophobicContact CE1-CD 4.46Å; Y90-K132 WeakPolarHBondContact OH-CD 3.32Å; Q128-K132 WeakPolarHBondContact O-CG 3.35Å; Q128-K132 PolarHBondContact O-N 3.13Å; L129-K132 PolarHBondContact O-N 3.46Å; L130-K132 VanDerWaalsContact C-N 3.26Å; L130-K132 PolarHBondContact O-N 3.45Å; K132-L134 VanDerWaalsContact C-N 3.32Å; K132-L134 PolarHBondContact O-N 2.94Å; K132-S135 WeakPolarHBondContact CA-OG 2.97Å; K132-S135 PolarHBondContact O-N 3.02Å; K132-S135 VanDerWaalsContact O-N 3.15Å; K132-S135 PolarHBondContact O-OG 3Å; K132-Q136 WeakPolarHBondContact O-CG 3.36Å; K132-Q136 PolarHBondContact O-N 3.49Å; K132-Q136 VanDerWaalsContact O-N 3.08Å
133L95.3Very high93.7Very high0 Ų063.9 Ų63.90%035%0.347CS..Hα-helixtrans-58.2-44.9174.7-73.6165.8000111.4I87 Y90 A91 L100 L129 L130 S135 Q136 G137 M138I87-L133 HydrophobicContact CB-CD2 4.47Å; I87-L133 HydrophobicContact CG2-CD2 3.97Å; Y90-L133 HydrophobicContact CD1-CD2 3.6Å; Y90-L133 HydrophobicContact CD1-CG 3.81Å; Y90-L133 HydrophobicContact CE1-CG 4.25Å; Y90-L133 HydrophobicContact CG-CD2 4.39Å; A91-L133 HydrophobicContact CB-CD2 4.48Å; L100-L133 HydrophobicContact CD1-CD1 4.14Å; L129-L133 HydrophobicContact CG-CD1 4.25Å; L129-L133 WeakPolarHBondContact O-CG 3.43Å; L129-L133 PolarHBondContact O-N 3.4Å; L130-L133 HydrophobicContact CD2-CD1 4.44Å; L130-L133 PolarHBondContact O-N 2.9Å; L133-S135 VanDerWaalsContact C-N 3.34Å; L133-S135 PolarHBondContact O-N 3.44Å; L133-Q136 WeakPolarHBondContact O-CB 3.49Å; L133-Q136 PolarHBondContact O-N 3.07Å; L133-Q136 VanDerWaalsContact O-N 3.07Å; L133-G137 PolarHBondContact O-N 3.23Å; L133-M138 HydrophobicContact CB-CB 4.19Å; L133-M138 HydrophobicContact CB-CE 4.08Å; L133-M138 HydrophobicContact CB-SD 3.72Å; L133-M138 HydrophobicContact CD1-SD 4.07Å; L133-M138 HydrophobicContact CD2-SD 4.44Å; L133-M138 HydrophobicContact CG-SD 4.3Å; L133-M138 WeakPolarHBondContact O-CB 3.47Å; L133-M138 PolarHBondContact O-N 3.07Å; L133-M138 VanDerWaalsContact O-N 3.14Å
134L94.7Very high94.2Very high81 Ų8164.2 Ų64.242%0.42435%0.348SS..Hα-helixtrans-61.4-41.2175-68.2171.4000111.8L130 K132 Q136 G137 M138L130-L134 WeakPolarHBondContact O-CG 3.43Å; L130-L134 PolarHBondContact O-N 3.29Å; K132-L134 VanDerWaalsContact C-N 3.32Å; K132-L134 PolarHBondContact O-N 2.94Å; L134-Q136 PolarHBondContact O-N 3.16Å; L134-G137 PolarHBondContact O-N 3.39Å; L134-M138 HydrophobicContact CD2-CE 4.11Å; L134-M138 HydrophobicContact CG-CE 4.47Å
135S95.3Very high94.6Very high99 Ų9961.6 Ų61.669%0.69233%0.328SS*.Hα-helixtrans-64.9-20.8175.574.30000114K131 K132 L133 G137K131-S135 PolarHBondContact O-N 3.28Å; K132-S135 WeakPolarHBondContact CA-OG 2.97Å; K132-S135 PolarHBondContact O-N 3.02Å; K132-S135 VanDerWaalsContact O-N 3.15Å; K132-S135 PolarHBondContact O-OG 3Å; L133-S135 VanDerWaalsContact C-N 3.34Å; L133-S135 PolarHBondContact O-N 3.44Å; S135-G137 VanDerWaalsContact C-N 3.28Å
136Q93.9Very high94.9Very high81 Ų8157.8 Ų57.838%0.37931%0.305SS..THydrogen-bonded Turntrans-86.73.4174.1-68.4-179.3-39.300113.1I87 K132 L133 L134I87-Q136 HydrophobicContact CG1-CB 4.24Å; K132-Q136 WeakPolarHBondContact O-CG 3.36Å; K132-Q136 PolarHBondContact O-N 3.49Å; K132-Q136 VanDerWaalsContact O-N 3.08Å; L133-Q136 WeakPolarHBondContact O-CB 3.49Å; L133-Q136 PolarHBondContact O-N 3.07Å; L133-Q136 VanDerWaalsContact O-N 3.07Å; L134-Q136 PolarHBondContact O-N 3.16Å
137G93.4Very high95.2Very high46 Ų4658.7 Ų58.747%0.47431%0.31SS..THydrogen-bonded Turntrans90.222.7179.600000114.4L133 L134 S135 T139L133-G137 PolarHBondContact O-N 3.23Å; L134-G137 PolarHBondContact O-N 3.39Å; S135-G137 VanDerWaalsContact C-N 3.28Å; G137-T139 PolarHBondContact O-N 2.94Å; G137-T139 VanDerWaalsContact O-N 3.07Å
138M96.4Very high95.5Very high10 Ų1058.4 Ų58.45%0.04931%0.307CS..  trans-63.2111.7175-169.8-178.577.400110.5I87 L104 L130 L133 L134 E142 E143 L146I87-M138 HydrophobicContact CD1-CB 3.84Å; I87-M138 HydrophobicContact CD1-CG 4.43Å; I87-M138 HydrophobicContact CG1-CB 4.45Å; I87-M138 HydrophobicContact CG2-CB 4.4Å; I87-M138 HydrophobicContact CG2-CG 4.06Å; I87-M138 HydrophobicContact CG2-SD 4.25Å; L104-M138 HydrophobicContact CD2-CE 4.13Å; L130-M138 HydrophobicContact CD2-CE 4.34Å; L133-M138 HydrophobicContact CB-CB 4.19Å; L133-M138 HydrophobicContact CB-CE 4.08Å; L133-M138 HydrophobicContact CB-SD 3.72Å; L133-M138 HydrophobicContact CD1-SD 4.07Å; L133-M138 HydrophobicContact CD2-SD 4.44Å; L133-M138 HydrophobicContact CG-SD 4.3Å; L133-M138 WeakPolarHBondContact O-CB 3.47Å; L133-M138 PolarHBondContact O-N 3.07Å; L133-M138 VanDerWaalsContact O-N 3.14Å; L134-M138 HydrophobicContact CD2-CE 4.11Å; L134-M138 HydrophobicContact CG-CE 4.47Å; M138-E142 HydrophobicContact CG-CB 3.86Å; M138-E143 HydrophobicContact CE-CG 3.61Å; M138-E143 WeakPolarHBondContact CE-OE1 3.5Å; M138-E143 HydrophobicContact CG-CG 4.18Å; M138-E143 HydrophobicContact SD-CG 4.02Å; M138-L146 HydrophobicContact SD-CD1 4.07Å
139T96.3Very high95.7Very high63 Ų6352.5 Ų52.539%0.38728%0.28SS..  trans-90.5170.8175.466.60000111.1G137 E141 E142 E143G137-T139 PolarHBondContact O-N 2.94Å; G137-T139 VanDerWaalsContact O-N 3.07Å; T139-E141 PolarHBondContact O-N 2.89Å; T139-E141 PolarHBondContact OG1-N 2.91Å; T139-E142 WeakPolarHBondContact O-CB 3.39Å; T139-E142 PolarHBondContact O-N 3.2Å; T139-E142 VanDerWaalsContact O-N 3.16Å; T139-E142 PolarHBondContact OG1-N 3.03Å; T139-E143 WeakPolarHBondContact O-CG 3.49Å; T139-E143 PolarHBondContact O-N 3.33Å
140E95.3Very high95.9Very high112 Ų11255.9 Ų55.952%0.52329%0.294SS..Hα-helixtrans-60-34.3173.5-58.4-172.315500111.9R111 E143 D144R111-E140 WeakPolarHBondContact CD-OE1 3.42Å; R111-E140 WeakPolarHBondContact CD-OE2 3.45Å; R111-E140 IonicContact NE-OE2 2.87Å; E140-E143 WeakPolarHBondContact O-CB 3.21Å; E140-E143 PolarHBondContact O-N 2.78Å; E140-D144 PolarHBondContact O-N 2.65Å
141E95Very high96Very high133 Ų13360.1 Ų60.162%0.62132%0.316SS*.Hα-helixtrans-67.4-38.7176.1-58.3154.6165.600111.7T139 E143 D144 K145T139-E141 PolarHBondContact O-N 2.89Å; T139-E141 PolarHBondContact OG1-N 2.91Å; E141-E143 VanDerWaalsContact C-N 3.34Å; E141-D144 PolarHBondContact O-N 3.15Å; E141-K145 VanDerWaalsContact O-CG 3.28Å; E141-K145 WeakPolarHBondContact O-CG 3.47Å; E141-K145 PolarHBondContact O-N 3.02Å
142E96.9Very high96.1Very high20 Ų2055.9 Ų55.99%0.09330%0.298CS..Hα-helixtrans-62.6-42.3172.1-71.1-104.7148.300110.9V83 S84 I87 M138 T139 D144 K145 L146V83-E142 WeakPolarHBondContact CG2-OE2 3.32Å; S84-E142 VanDerWaalsContact CB-OE1 3.24Å; S84-E142 WeakPolarHBondContact CB-OE1 3.15Å; S84-E142 PolarHBondContact N-OE1 3.08Å; S84-E142 PolarHBondContact N-OE2 2.91Å; I87-E142 VanDerWaalsContact CB-OE2 3.28Å; I87-E142 WeakPolarHBondContact CB-OE2 3.29Å; I87-E142 HydrophobicContact CD1-CG 4.23Å; I87-E142 WeakPolarHBondContact CD1-OE2 3.43Å; I87-E142 VanDerWaalsContact CG2-OE2 3.24Å; I87-E142 WeakPolarHBondContact CG2-OE2 3.45Å; M138-E142 HydrophobicContact CG-CB 3.86Å; T139-E142 WeakPolarHBondContact O-CB 3.39Å; T139-E142 PolarHBondContact O-N 3.2Å; T139-E142 VanDerWaalsContact O-N 3.16Å; T139-E142 PolarHBondContact OG1-N 3.03Å; E142-D144 VanDerWaalsContact C-N 3.33Å; E142-D144 PolarHBondContact O-N 3.39Å; E142-K145 PolarHBondContact O-N 3.44Å; E142-L146 WeakPolarHBondContact O-CG 3.47Å; E142-L146 PolarHBondContact O-N 3.14Å
143E96.6Very high96.2Very high1 Ų150.5 Ų50.51%0.00527%0.274CS..Hα-helixtrans-59.2-43.9175.6-64.3-179.6-170.700111.6L104 R107 R111 M138 T139 E140 E141 L146 L147L104-E143 HydrophobicContact CD2-CB 4.39Å; L104-E143 HydrophobicContact CD2-CG 3.9Å; R107-E143 IonicContact CZ-OE1 2.76Å; R107-E143 IonicContact NE-OE1 3.33Å; R107-E143 PolarHBondContact NE-OE1 3.08Å; R107-E143 IonicContact NE-OE2 2.75Å; R107-E143 PolarHBondContact NE-OE2 3.04Å; R107-E143 IonicContact NH2-OE1 3.98Å; R107-E143 PolarHBondContact NH2-OE1 3.23Å; R107-E143 IonicContact NH2-OE2 3.22Å; R111-E143 IonicContact CZ-OE2 2.77Å; R111-E143 IonicContact NH1-OE2 2.92Å; R111-E143 PolarHBondContact NH1-OE2 3.07Å; R111-E143 IonicContact NH2-OE2 3.92Å; M138-E143 HydrophobicContact CE-CG 3.61Å; M138-E143 WeakPolarHBondContact CE-OE1 3.5Å; M138-E143 HydrophobicContact CG-CG 4.18Å; M138-E143 HydrophobicContact SD-CG 4.02Å; T139-E143 WeakPolarHBondContact O-CG 3.49Å; T139-E143 PolarHBondContact O-N 3.33Å; E140-E143 WeakPolarHBondContact O-CB 3.21Å; E140-E143 PolarHBondContact O-N 2.78Å; E141-E143 VanDerWaalsContact C-N 3.34Å; E143-L146 PolarHBondContact O-N 2.9Å; E143-L147 WeakPolarHBondContact O-CB 3.49Å; E143-L147 WeakPolarHBondContact O-CG 3.3Å; E143-L147 PolarHBondContact O-N 3.32Å
144D97.1Very high96.2Very high60 Ų6052 Ų5232%0.32128%0.282SS..Hα-helixtrans-66-39.3178.5-70.4-32.8000111.9Q108 R111 E140 E141 E142 L147 A148Q108-D144 PolarHBondContact NE2-OD1 3.46Å; R111-D144 VanDerWaalsContact NH2-CG 3.35Å; R111-D144 IonicContact NH2-OD1 2.8Å; R111-D144 PolarHBondContact NH2-OD1 2.88Å; R111-D144 IonicContact NH2-OD2 3.41Å; R111-D144 PolarHBondContact NH2-OD2 3.27Å; E140-D144 PolarHBondContact O-N 2.65Å; E141-D144 PolarHBondContact O-N 3.15Å; E142-D144 VanDerWaalsContact C-N 3.33Å; E142-D144 PolarHBondContact O-N 3.39Å; D144-L147 PolarHBondContact O-N 3.25Å; D144-A148 PolarHBondContact O-N 3.46Å
145K97.6Very high96.2Very high31 Ų3155.4 Ų55.414%0.13529%0.293CS..Hα-helixtrans-63.6-41172.8-67.3170.6-160.4178.10111.9C24 E81 P82 V83 E141 E142 A148 L149C24-K145 HydrophobicContact CB-CB 4.42Å; C24-K145 HydrophobicContact CB-CD 4.16Å; C24-K145 HydrophobicContact CB-CG 3.97Å; E81-K145 WeakPolarHBondContact O-CE 3.47Å; E81-K145 PolarHBondContact O-NZ 3.44Å; P82-K145 PolarHBondContact O-NZ 3.46Å; V83-K145 HydrophobicContact CB-CB 4.01Å; V83-K145 HydrophobicContact CB-CD 4.02Å; V83-K145 HydrophobicContact CG2-CB 4.42Å; E141-K145 VanDerWaalsContact O-CG 3.28Å; E141-K145 WeakPolarHBondContact O-CG 3.47Å; E141-K145 PolarHBondContact O-N 3.02Å; E142-K145 PolarHBondContact O-N 3.44Å; K145-A148 PolarHBondContact O-N 3.41Å; K145-L149 PolarHBondContact O-N 2.8Å; K145-L149 VanDerWaalsContact O-N 3.13Å
146L97.8Very high96Very high0 Ų052 Ų520%027%0.27CS..Hα-helixtrans-62.8-44.5174.7-71.6177.4000111.1V83 I87 F88 A91 F101 L104 M138 E142 E143 A148 L149 K150 M153V83-L146 HydrophobicContact CG2-CD2 4.04Å; V83-L146 HydrophobicContact CG2-CG 4.27Å; I87-L146 HydrophobicContact CG2-CD1 3.97Å; F88-L146 HydrophobicContact CD2-CD2 4.26Å; A91-L146 HydrophobicContact CB-CD1 4.41Å; A91-L146 HydrophobicContact CB-CD2 4.43Å; F101-L146 HydrophobicContact CE1-CB 4.21Å; F101-L146 VanDerWaalsContact CE1-O 3.26Å; F101-L146 WeakPolarHBondContact CE1-O 3.34Å; L104-L146 HydrophobicContact CD1-CB 4.29Å; L104-L146 HydrophobicContact CD1-CD1 4.11Å; M138-L146 HydrophobicContact SD-CD1 4.07Å; E142-L146 WeakPolarHBondContact O-CG 3.47Å; E142-L146 PolarHBondContact O-N 3.14Å; E143-L146 PolarHBondContact O-N 2.9Å; L146-A148 VanDerWaalsContact C-N 3.32Å; L146-A148 PolarHBondContact O-N 3.05Å; L146-L149 CarbonylContact O-C 3.47Å; L146-L149 PolarHBondContact O-N 3.49Å; L146-L149 VanDerWaalsContact O-N 3.14Å; L146-K150 PolarHBondContact O-N 3.34Å; L146-M153 HydrophobicContact CD2-CE 4.01Å; L146-M153 HydrophobicContact CD2-SD 3.86Å
147L97.7Very high96Very high21 Ų2149.3 Ų49.311%0.1126%0.258CS..Hα-helixtrans-61.6-39.3177.3-76.1168.1000112F101 L104 H105 Q108 E143 D144 L149 K150F101-L147 HydrophobicContact CD1-CD2 4.1Å; L104-L147 HydrophobicContact CB-CD1 4.34Å; L104-L147 HydrophobicContact CB-CD2 3.97Å; L104-L147 HydrophobicContact CB-CG 4.14Å; H105-L147 HydrophobicContact CB-CD2 4.06Å; Q108-L147 HydrophobicContact CB-CD1 3.83Å; Q108-L147 HydrophobicContact CG-CD1 4.25Å; E143-L147 WeakPolarHBondContact O-CB 3.49Å; E143-L147 WeakPolarHBondContact O-CG 3.3Å; E143-L147 PolarHBondContact O-N 3.32Å; D144-L147 PolarHBondContact O-N 3.25Å; L147-L149 VanDerWaalsContact C-N 3.31Å; L147-L149 PolarHBondContact O-N 3.1Å; L147-K150 WeakPolarHBondContact O-CB 3.49Å; L147-K150 PolarHBondContact O-N 3.42Å
148A97.6Very high95.8Very high32 Ų3254.9 Ų54.926%0.26426%0.264SS..Hα-helixtrans-61.3-39.2173.400000112.4P21 Y61 D144 K145 L146 K150P21-A148 HydrophobicContact CB-CB 4.08Å; P21-A148 WeakPolarHBondContact CB-O 3.38Å; P21-A148 HydrophobicContact CG-CB 4.47Å; Y61-A148 HydrophobicContact CE1-CB 4.09Å; Y61-A148 WeakPolarHBondContact OH-CB 3.28Å; D144-A148 PolarHBondContact O-N 3.46Å; K145-A148 PolarHBondContact O-N 3.41Å; L146-A148 VanDerWaalsContact C-N 3.32Å; L146-A148 PolarHBondContact O-N 3.05Å; A148-K150 VanDerWaalsContact C-N 3.3Å; A148-K150 PolarHBondContact O-N 3.41Å
149L97.9Very high95.4Very high2 Ų257.3 Ų57.31%0.0129%0.286CS..THydrogen-bonded Turntrans-85.12.6179.1-68.5168.4000113.9P21 F22 V83 F88 K145 L146 L147 D151 F152 M153P21-L149 HydrophobicContact CB-CD2 4.06Å; P21-L149 WeakPolarHBondContact O-CD2 3.41Å; F22-L149 HydrophobicContact CD1-CD2 4.11Å; F22-L149 HydrophobicContact CE1-CD2 4.4Å; V83-L149 HydrophobicContact CG1-CD1 4.1Å; F88-L149 HydrophobicContact CD2-CD1 4.25Å; F88-L149 HydrophobicContact CE2-CD1 3.96Å; K145-L149 PolarHBondContact O-N 2.8Å; K145-L149 VanDerWaalsContact O-N 3.13Å; L146-L149 CarbonylContact O-C 3.47Å; L146-L149 PolarHBondContact O-N 3.49Å; L146-L149 VanDerWaalsContact O-N 3.14Å; L147-L149 VanDerWaalsContact C-N 3.31Å; L147-L149 PolarHBondContact O-N 3.1Å; L149-D151 PolarHBondContact O-N 2.89Å; L149-F152 PolarHBondContact O-N 3.24Å; L149-M153 HydrophobicContact CB-CG 4.28Å; L149-M153 HydrophobicContact CB-SD 4.17Å; L149-M153 WeakPolarHBondContact O-CG 3.33Å; L149-M153 PolarHBondContact O-N 3.24Å
150K97Very high94.8Very high88 Ų8860 Ų6038%0.38329%0.292SS..Hα-helixtrans-49.2-53.2-171.3171.8-171.2169.5-155.10113.1F101 L146 L147 A148 F152 M153 M154F101-K150 HydrophobicContact CB-CD 4.26Å; F101-K150 HydrophobicContact CB-CG 4.26Å; F101-K150 HydrophobicContact CD1-CB 4.03Å; F101-K150 HydrophobicContact CD1-CD 4.44Å; F101-K150 HydrophobicContact CD1-CG 3.95Å; F101-K150 HydrophobicContact CD2-CB 4.5Å; F101-K150 HydrophobicContact CD2-CG 3.84Å; F101-K150 HydrophobicContact CE1-CB 3.91Å; F101-K150 HydrophobicContact CE1-CG 4.23Å; F101-K150 HydrophobicContact CE2-CB 4.36Å; F101-K150 HydrophobicContact CE2-CG 4.1Å; F101-K150 HydrophobicContact CG-CB 4.34Å; F101-K150 HydrophobicContact CG-CD 4.26Å; F101-K150 HydrophobicContact CG-CG 3.76Å; F101-K150 HydrophobicContact CZ-CB 4.08Å; F101-K150 HydrophobicContact CZ-CG 4.3Å; L146-K150 PolarHBondContact O-N 3.34Å; L147-K150 WeakPolarHBondContact O-CB 3.49Å; L147-K150 PolarHBondContact O-N 3.42Å; A148-K150 VanDerWaalsContact C-N 3.3Å; A148-K150 PolarHBondContact O-N 3.41Å; K150-F152 VanDerWaalsContact C-N 3.3Å; K150-F152 PolarHBondContact O-N 3.45Å; K150-M153 PolarHBondContact O-N 3.07Å; K150-M153 VanDerWaalsContact O-N 3.16Å; K150-M154 HydrophobicContact CG-CG 4.15Å; K150-M154 WeakPolarHBondContact O-CB 3.17Å; K150-M154 WeakPolarHBondContact O-CG 3.5Å; K150-M154 PolarHBondContact O-N 3.47Å
151D95.3Very high93.9Very high107 Ų10757.3 Ų57.357%0.57229%0.29SS*.Hα-helixtrans-66.2-36.4-172.1-66.6-29.8000111.9L149 K155L149-D151 PolarHBondContact O-N 2.89Å; D151-K155 WeakPolarHBondContact O-CB 3.4Å; D151-K155 WeakPolarHBondContact O-CD 3.49Å; D151-K155 VanDerWaalsContact O-CG 3.23Å; D151-K155 WeakPolarHBondContact O-CG 3.48Å; D151-K155 PolarHBondContact O-N 3.42Å; D151-K155 VanDerWaalsContact O-N 3.14Å
152F95.8Very high92.8Very high73 Ų7355.9 Ų55.932%0.3229%0.286SS..Hα-helixtrans-65.1-48.1171.9171.4-104.8000111.6F22 H25 F88 L149 K150 M154 K155 S156F22-F152 HydrophobicContact CE1-CB 4.1Å; F22-F152 HydrophobicContact CE1-CD1 4.09Å; F22-F152 AromaticContact CE1-CD2 3.86Å; F22-F152 HydrophobicContact CE1-CD2 3.86Å; F22-F152 HydrophobicContact CE1-CE2 4.31Å; F22-F152 AromaticContact CE1-CG 3.74Å; F22-F152 HydrophobicContact CE1-CG 3.74Å; F22-F152 HydrophobicContact CZ-CB 3.96Å; F22-F152 AromaticContact CZ-CD2 3.95Å; F22-F152 HydrophobicContact CZ-CD2 3.95Å; F22-F152 AromaticContact CZ-CG 3.97Å; F22-F152 HydrophobicContact CZ-CG 3.97Å; H25-F152 AromaticContact NE2-CE1 3.87Å; F88-F152 HydrophobicContact CZ-CD1 4.41Å; F88-F152 HydrophobicContact CZ-CE1 4.09Å; L149-F152 PolarHBondContact O-N 3.24Å; K150-F152 VanDerWaalsContact C-N 3.3Å; K150-F152 PolarHBondContact O-N 3.45Å; F152-M154 VanDerWaalsContact C-N 3.34Å; F152-M154 PolarHBondContact O-N 2.89Å; F152-K155 PolarHBondContact O-N 2.9Å; F152-S156 WeakPolarHBondContact O-CB 3.4Å; F152-S156 PolarHBondContact O-N 3.11Å
153M96.9Very high91.6Very high0 Ų057.8 Ų57.80%031%0.305CS..Hα-helixtrans-63-40.7-179.2-69.6-177.47200112F88 A91 L92 I97 F101 L146 L149 K150 S156 N157F88-M153 HydrophobicContact CD2-CE 4Å; F88-M153 HydrophobicContact CD2-SD 3.8Å; F88-M153 HydrophobicContact CE2-CE 3.96Å; F88-M153 HydrophobicContact CE2-CG 3.61Å; F88-M153 HydrophobicContact CE2-SD 3.46Å; F88-M153 WeakPolarHBondContact CE2-SD 3.39Å; F88-M153 HydrophobicContact CG-CE 4.47Å; F88-M153 HydrophobicContact CZ-CE 4.41Å; F88-M153 HydrophobicContact CZ-CG 3.87Å; F88-M153 HydrophobicContact CZ-SD 4.23Å; A91-M153 HydrophobicContact CB-CE 3.89Å; L92-M153 HydrophobicContact CB-CE 4.08Å; L92-M153 HydrophobicContact CD1-CB 4.13Å; L92-M153 HydrophobicContact CD1-CE 4.43Å; L92-M153 HydrophobicContact CD1-CG 4.45Å; L92-M153 WeakPolarHBondContact CD1-O 3.45Å; I97-M153 HydrophobicContact CD1-CB 4.06Å; F101-M153 HydrophobicContact CE2-CB 4Å; F101-M153 HydrophobicContact CZ-CB 3.97Å; F101-M153 HydrophobicContact CZ-CE 4.3Å; F101-M153 HydrophobicContact CZ-CG 4.44Å; F101-M153 HydrophobicContact CZ-SD 3.76Å; L146-M153 HydrophobicContact CD2-CE 4.01Å; L146-M153 HydrophobicContact CD2-SD 3.86Å; L149-M153 HydrophobicContact CB-CG 4.28Å; L149-M153 HydrophobicContact CB-SD 4.17Å; L149-M153 WeakPolarHBondContact O-CG 3.33Å; L149-M153 PolarHBondContact O-N 3.24Å; K150-M153 PolarHBondContact O-N 3.07Å; K150-M153 VanDerWaalsContact O-N 3.16Å; M153-S156 PolarHBondContact O-N 2.97Å; M153-N157 VanDerWaalsContact O-CB 3.26Å; M153-N157 WeakPolarHBondContact O-CB 3.33Å; M153-N157 PolarHBondContact O-N 3.38Å
154M95.2Very high90Very high31 Ų3161.6 Ų61.615%0.15333%0.328CS..Hα-helixtrans-60.3-46.1174.7-74.3-66.4-6300111.9I97 A98 F101 K150 F152 R158I97-M154 HydrophobicContact CB-SD 4.32Å; I97-M154 HydrophobicContact CG1-SD 4.23Å; I97-M154 HydrophobicContact CG2-CE 4.35Å; I97-M154 HydrophobicContact CG2-SD 3.52Å; I97-M154 VanDerWaalsContact CG2-SD 3.52Å; A98-M154 HydrophobicContact CB-CE 3.8Å; A98-M154 HydrophobicContact CB-SD 4.31Å; F101-M154 HydrophobicContact CD2-CG 4.11Å; F101-M154 HydrophobicContact CD2-SD 3.89Å; F101-M154 HydrophobicContact CE2-CG 4.23Å; F101-M154 HydrophobicContact CE2-SD 4.35Å; K150-M154 HydrophobicContact CG-CG 4.15Å; K150-M154 WeakPolarHBondContact O-CB 3.17Å; K150-M154 WeakPolarHBondContact O-CG 3.5Å; K150-M154 PolarHBondContact O-N 3.47Å; F152-M154 VanDerWaalsContact C-N 3.34Å; F152-M154 PolarHBondContact O-N 2.89Å; M154-R158 WeakPolarHBondContact O-CG 3.3Å; M154-R158 PolarHBondContact O-N 3.13Å; M154-R158 VanDerWaalsContact O-N 3.13Å
155K94.4Very high88.1Confident154 Ų15464 Ų6467%0.6734%0.342SS*.Hα-helixtrans-64.4-44.5176.6-71.7169.4-175.6174.90111.5D151 F152 R158 A159D151-K155 WeakPolarHBondContact O-CB 3.4Å; D151-K155 WeakPolarHBondContact O-CD 3.49Å; D151-K155 VanDerWaalsContact O-CG 3.23Å; D151-K155 WeakPolarHBondContact O-CG 3.48Å; D151-K155 PolarHBondContact O-N 3.42Å; D151-K155 VanDerWaalsContact O-N 3.14Å; F152-K155 PolarHBondContact O-N 2.9Å; K155-R158 PolarHBondContact O-N 3.41Å; K155-A159 PolarHBondContact O-N 2.94Å
156S92.8Very high86Confident28 Ų2869.2 Ų69.220%0.19637%0.366CS..Hα-helixtrans-64.4-42.4179.2-177.40000112.5F152 M153 A159 K160F152-S156 WeakPolarHBondContact O-CB 3.4Å; F152-S156 PolarHBondContact O-N 3.11Å; M153-S156 PolarHBondContact O-N 2.97Å; S156-A159 PolarHBondContact O-N 3.44Å; S156-K160 WeakPolarHBondContact O-CG 3.27Å; S156-K160 PolarHBondContact O-N 3Å; S156-K160 VanDerWaalsContact O-N 3.08Å
157N93.7Very high83.9Confident24 Ų2472.3 Ų72.313%0.12839%0.388CS..Hα-helixtrans-63.4-45.2176.3178.6-89.4000111.7L92 S94 I97 M153 A159 K160 A161L92-N157 HydrophobicContact CD1-CB 4.17Å; L92-N157 PolarHBondContact O-ND2 2.93Å; S94-N157 PolarHBondContact O-ND2 2.84Å; I97-N157 HydrophobicContact CB-CB 4.5Å; I97-N157 HydrophobicContact CD1-CB 3.93Å; I97-N157 HydrophobicContact CG2-CB 3.82Å; I97-N157 VanDerWaalsContact CG2-CG 3.45Å; I97-N157 VanDerWaalsContact CG2-OD1 3.26Å; I97-N157 WeakPolarHBondContact CG2-OD1 3.03Å; M153-N157 VanDerWaalsContact O-CB 3.26Å; M153-N157 WeakPolarHBondContact O-CB 3.33Å; M153-N157 PolarHBondContact O-N 3.38Å; N157-A159 PolarHBondContact O-N 3.5Å; N157-K160 PolarHBondContact O-N 3.32Å; N157-A161 PolarHBondContact O-N 3.27Å
158R89.6Confident81.7Confident162 Ų16278.1 Ų78.161%0.61141%0.414SS*.Hα-helixtrans-60.7-44.7175.6-73.3178.3-177.4-138.60.9112.6M154 K155 K160 A161 N162M154-R158 WeakPolarHBondContact O-CG 3.3Å; M154-R158 PolarHBondContact O-N 3.13Å; M154-R158 VanDerWaalsContact O-N 3.13Å; K155-R158 PolarHBondContact O-N 3.41Å; R158-K160 VanDerWaalsContact C-N 3.29Å; R158-K160 PolarHBondContact O-N 3.21Å; R158-A161 PolarHBondContact O-N 3.4Å; R158-N162 VanDerWaalsContact O-CG 3.28Å; R158-N162 PolarHBondContact O-N 2.91Å; R158-N162 PolarHBondContact O-OD1 3.46Å
159A87.7Confident79.4Confident62 Ų6283.2 Ų83.251%0.51244%0.436SS..Hα-helixtrans-60.9-39.8177.700000112K155 S156 N157 A163K155-A159 PolarHBondContact O-N 2.94Å; S156-A159 PolarHBondContact O-N 3.44Å; N157-A159 PolarHBondContact O-N 3.5Å; A159-A163 PolarHBondContact O-N 3.47Å
160K83Confident77Confident118 Ų11887.5 Ų87.551%0.51346%0.456SS..Hα-helixtrans-67.8-41.4175.4-73.2-178.9179.9-175.80112.7S156 N157 R158 N162 A163 V164S156-K160 WeakPolarHBondContact O-CG 3.27Å; S156-K160 PolarHBondContact O-N 3Å; S156-K160 VanDerWaalsContact O-N 3.08Å; N157-K160 PolarHBondContact O-N 3.32Å; R158-K160 VanDerWaalsContact C-N 3.29Å; R158-K160 PolarHBondContact O-N 3.21Å; K160-N162 VanDerWaalsContact C-N 3.33Å; K160-N162 PolarHBondContact O-N 3.5Å; K160-A163 PolarHBondContact O-N 2.97Å; K160-V164 WeakPolarHBondContact O-CG2 3.4Å; K160-V164 PolarHBondContact O-N 3.44Å
161A76.7Confident74.6Confident56 Ų5690.4 Ų90.446%0.46348%0.476SS..Hα-helixtrans-59.5-44.8176.200000111.4N157 R158 A163 V164 D165N157-A161 PolarHBondContact O-N 3.27Å; R158-A161 PolarHBondContact O-N 3.4Å; A161-A163 VanDerWaalsContact C-N 3.31Å; A161-A163 PolarHBondContact O-N 2.99Å; A161-V164 PolarHBondContact O-N 3.33Å; A161-D165 PolarHBondContact O-N 2.98Å; A161-D165 VanDerWaalsContact O-N 3.16Å
162N72.4Confident72.5Confident104 Ų10490.6 Ų90.656%0.55649%0.486SS*.Hα-helixtrans-63.7-34.5177.8-66.1-9.1000113R158 K160 Q166R158-N162 VanDerWaalsContact O-CG 3.28Å; R158-N162 PolarHBondContact O-N 2.91Å; R158-N162 PolarHBondContact O-OD1 3.46Å; K160-N162 VanDerWaalsContact C-N 3.33Å; K160-N162 PolarHBondContact O-N 3.5Å; N162-Q166 PolarHBondContact O-N 3.29Å
163A71.4Confident70.3Confident59 Ų5991.3 Ų91.349%0.48850%0.5SS..Hα-helixtrans-70.1-36.2178.200000112.7A159 K160 A161 S167A159-A163 PolarHBondContact O-N 3.47Å; K160-A163 PolarHBondContact O-N 2.97Å; A161-A163 VanDerWaalsContact C-N 3.31Å; A161-A163 PolarHBondContact O-N 2.99Å; A163-S167 PolarHBondContact O-N 2.75Å
164V62.6Low68.1Low81 Ų8198.9 Ų98.949%0.49154%0.535SS..Hα-helixtrans-70-38.2176.5178.20000110.8K160 A161 Q166 S167 H168K160-V164 WeakPolarHBondContact O-CG2 3.4Å; K160-V164 PolarHBondContact O-N 3.44Å; A161-V164 PolarHBondContact O-N 3.33Å; V164-Q166 VanDerWaalsContact C-N 3.33Å; V164-Q166 PolarHBondContact O-N 3.47Å; V164-S167 PolarHBondContact O-N 2.87Å; V164-S167 VanDerWaalsContact O-N 3.07Å; V164-S167 PolarHBondContact O-OG 3.31Å; V164-H168 PolarHBondContact O-N 2.76Å
165D56.7Low65.9Low112 Ų112107.4 Ų107.460%0.59957%0.571SS**Hα-helixtrans-64.9-37.4179.1-143.823.3000112.1A161 S167 H168 L169A161-D165 PolarHBondContact O-N 2.98Å; A161-D165 VanDerWaalsContact O-N 3.16Å; D165-S167 VanDerWaalsContact C-N 3.33Å; D165-S167 PolarHBondContact O-N 3.2Å; D165-H168 PolarHBondContact O-N 3.03Å; D165-L169 PolarHBondContact O-N 3.25Å
166Q54.3Low64.2Low140 Ų140103.7 Ų103.765%0.65458%0.576SS**Hα-helixtrans-66.2-33.1171.6-72.7-175.315.100112.9N162 V164 L169 H170N162-Q166 PolarHBondContact O-N 3.29Å; V164-Q166 VanDerWaalsContact C-N 3.33Å; V164-Q166 PolarHBondContact O-N 3.47Å; Q166-L169 PolarHBondContact O-N 2.95Å; Q166-H170 WeakPolarHBondContact O-CB 3.46Å; Q166-H170 PolarHBondContact O-N 3.4Å
167S53.4Low62.9Low65 Ų65107 Ų10746%0.45560%0.596SS.*Hα-helixtrans-69.1-32.8179.670.60000113.1A163 V164 D165 H170 D171A163-S167 PolarHBondContact O-N 2.75Å; V164-S167 PolarHBondContact O-N 2.87Å; V164-S167 VanDerWaalsContact O-N 3.07Å; V164-S167 PolarHBondContact O-OG 3.31Å; D165-S167 VanDerWaalsContact C-N 3.33Å; D165-S167 PolarHBondContact O-N 3.2Å; S167-H170 PolarHBondContact O-N 3.38Å; S167-D171 PolarHBondContact O-N 3.43Å
168H50.5Low61.6Low143 Ų143111.8 Ų111.866%0.66262%0.62SS**Hα-helixtrans-73.8-26.3176.3-81.8-71.8000113.5V164 D165V164-H168 PolarHBondContact O-N 2.76Å; D165-H168 PolarHBondContact O-N 3.03Å
169L49.6Very low60.6Low138 Ų138108.6 Ų108.672%0.72362%0.615SS**Hα-helixtrans-79-20.8171.8-71.8164000112.8D165 Q166D165-L169 PolarHBondContact O-N 3.25Å; Q166-L169 PolarHBondContact O-N 2.95Å
170H48.5Very low59.7Low92 Ų92110.6 Ų110.643%0.42662%0.616SS.*Hα-helixtrans-97.9-4.3-174.6-145.264.7000114.2Q166 S167 S172Q166-H170 WeakPolarHBondContact O-CB 3.46Å; Q166-H170 PolarHBondContact O-N 3.4Å; S167-H170 PolarHBondContact O-N 3.38Å; H170-S172 PolarHBondContact O-N 3.23Å
171D45.3Very low58.8Low150 Ų150108.9 Ų108.980%0.80262%0.624SS**THydrogen-bonded Turntrans-77.6-0-177.8-153.732.3000113.9S167S167-D171 PolarHBondContact O-N 3.43Å
172S51.1Low58.4Low111 Ų111110 Ų11078%0.77663%0.634SS**THydrogen-bonded Turntrans-118.74.2177.747.10000114.9H170H170-S172 PolarHBondContact O-N 3.23Å
173S51.3Low58.4Low88 Ų88110.3 Ų110.362%0.61564%0.635SS**SBendtrans-143.3125.8172.7-124.90000112.9
174Q49.8Very low58Low159 Ų159110.6 Ų110.674%0.74364%0.643SS**  trans-13.1117.3178.1-60.3-167.6-3100116.7G176Q174-G176 PolarHBondContact O-N 3.46Å; Q174-G176 VanDerWaalsContact O-N 3.12Å
175K48.8Very low58.4Low209 Ų209111.6 Ų111.691%0.90964%0.644SS**THydrogen-bonded Turntrans-45.5118.7167.3-78.8179.9175.81760110.8
176G59.5Low58.9Low76 Ų76112.2 Ų112.278%0.78465%0.653SS**THydrogen-bonded Turntrans111.3-5166.500000116.2Q174Q174-G176 PolarHBondContact O-N 3.46Å; Q174-G176 VanDerWaalsContact O-N 3.12Å
177V64.9Low59.5Low99 Ų99109.2 Ų109.260%0.666%0.659SS**  trans-108.1114.1173.3-176.60000109
178I66.3Low60.1Low123 Ų123117.3 Ų117.363%0.63168%0.68SS**  trans-92.9107.3171.2-59.7172.3000106.8L180 L183I178-L180 HydrophobicContact CG2-CD2 4.17Å; I178-L180 PolarHBondContact O-N 2.9Å; I178-L183 HydrophobicContact CG2-CD1 3.77Å
179D69.6Low60.9Low95 Ų95118.5 Ų118.551%0.50869%0.686SS.*  trans-76.4103.9170.7-174.13.2000109.8A181 A182D179-A181 PolarHBondContact O-N 3.39Å; D179-A181 WeakPolarHBondContact OD1-CB 3.43Å; D179-A181 PolarHBondContact OD1-N 2.77Å; D179-A182 HydrophobicContact CB-CB 4.07Å; D179-A182 PolarHBondContact O-N 2.76Å
180L67.3Low61.3Low105 Ų105117.6 Ų117.655%0.5569%0.686SS.*THydrogen-bonded Turntrans-67.3-24.5179-64171.4000112.2I178 L183 I185I178-L180 HydrophobicContact CG2-CD2 4.17Å; I178-L180 PolarHBondContact O-N 2.9Å; L180-L183 PolarHBondContact O-N 2.79Å; L180-I185 HydrophobicContact CD2-CD1 4.35Å; L180-I185 PolarHBondContact O-N 3.43Å
181A65.1Low62.1Low81 Ų81119.2 Ų119.267%0.66970%0.698SS**THydrogen-bonded Turntrans-71.5-37.6177.300000111.5D179 L183 G184D179-A181 PolarHBondContact O-N 3.39Å; D179-A181 WeakPolarHBondContact OD1-CB 3.43Å; D179-A181 PolarHBondContact OD1-N 2.77Å; A181-L183 PolarHBondContact O-N 3.19Å; A181-G184 PolarHBondContact O-N 2.99Å
182A68.2Low62.9Low81 Ų81119.9 Ų119.967%0.66970%0.7SS**THydrogen-bonded Turntrans-66.5-21.7176.300000113.5D179 G184D179-A182 HydrophobicContact CB-CB 4.07Å; D179-A182 PolarHBondContact O-N 2.76Å; A182-G184 VanDerWaalsContact C-N 3.35Å
183L71.3Confident63.6Low110 Ų110121.3 Ų121.358%0.57670%0.704SS**THydrogen-bonded Turntrans-894179.4-69.3168.3000113.8I178 L180 A181 I185I178-L183 HydrophobicContact CG2-CD1 3.77Å; L180-L183 PolarHBondContact O-N 2.79Å; A181-L183 PolarHBondContact O-N 3.19Å; L183-I185 HydrophobicContact CB-CD1 3.94Å; L183-I185 HydrophobicContact CB-CG1 3.97Å; L183-I185 HydrophobicContact CD1-CD1 4.34Å; L183-I185 PolarHBondContact O-N 3.16Å
184G63.2Low63.8Low64 Ų64126.5 Ų126.566%0.6672%0.715SS**THydrogen-bonded Turntrans66.415-177.800000113.8A181 A182 T186A181-G184 PolarHBondContact O-N 2.99Å; A182-G184 VanDerWaalsContact C-N 3.35Å; G184-T186 PolarHBondContact O-N 3.1Å
185I71.3Confident64Low102 Ų102125.2 Ų125.252%0.52372%0.719SS.*  trans-84.998.7178.8-57.5174000107.5L180 L183 G187L180-I185 HydrophobicContact CD2-CD1 4.35Å; L180-I185 PolarHBondContact O-N 3.43Å; L183-I185 HydrophobicContact CB-CD1 3.94Å; L183-I185 HydrophobicContact CB-CG1 3.97Å; L183-I185 HydrophobicContact CD1-CD1 4.34Å; L183-I185 PolarHBondContact O-N 3.16Å; I185-G187 PolarHBondContact O-N 3.1Å
186T67.9Low63.9Low126 Ų126124.9 Ų124.977%0.77372%0.717SS**  trans-78115.7169.633.90000109.4G184 R188G184-T186 PolarHBondContact O-N 3.1Å; T186-R188 PolarHBondContact O-N 3.41Å
187G67.1Low63.3Low77 Ų77130.3 Ų130.379%0.79472%0.722SS**  trans-57.9123.4173.600000110.2I185 Q189I185-G187 PolarHBondContact O-N 3.1Å; G187-Q189 PolarHBondContact O-N 3.01Å
188R65.8Low62.6Low235 Ų235134 Ų13489%0.88773%0.733SS**  trans-84108.3170.5-70-174.8-179.3176.80.3108T186 V190T186-R188 PolarHBondContact O-N 3.41Å; R188-V190 PolarHBondContact O-N 3.17Å
189Q66.2Low61.4Low167 Ų167133.7 Ų133.778%0.7874%0.739SS**  trans-72.7121.3169-172.2174.9-17.700108.4G187 D191G187-Q189 PolarHBondContact O-N 3.01Å; Q189-D191 PolarHBondContact NE2-OD1 2.96Å
190V59.3Low60Low120 Ų120136.7 Ų136.773%0.72776%0.755SS**  trans-118.3107.5170.8-173.60000106.1R188 L192R188-V190 PolarHBondContact O-N 3.17Å; V190-L192 PolarHBondContact O-N 3.08Å
191D64.6Low58.9Low126 Ų126140.6 Ų140.667%0.67477%0.77SS**  trans-70.5116.9174.4-71.7-22.1000108.6Q189 V193Q189-D191 PolarHBondContact NE2-OD1 2.96Å; D191-V193 PolarHBondContact O-N 3.32Å
192L61.7Low57.9Low163 Ų163146.7 Ų146.785%0.85378%0.782SS**  trans-67.4117.8171-73163.8000108.1V190 K194V190-L192 PolarHBondContact O-N 3.08Å; L192-K194 PolarHBondContact O-N 2.88Å
193V66.4Low56.6Low142 Ų142153 Ų15386%0.86179%0.788SS**  trans-55.7115.7175.2-179.90000108.3D191 T195D191-V193 PolarHBondContact O-N 3.32Å; V193-T195 PolarHBondContact O-N 3.16Å; V193-T195 VanDerWaalsContact O-N 3.17Å
194K56.4Low55.2Low196 Ų196152.6 Ų152.685%0.85280%0.801SS**PPolyproline II helixtrans-59.6119.3173.5-81.6-179.1175.4176.90108.9L192 K196L192-K194 PolarHBondContact O-N 2.88Å; K194-K196 PolarHBondContact O-N 3.26Å
195T52.4Low54.1Low133 Ų133159.7 Ų159.782%0.81681%0.808SS**PPolyproline II helixtrans-60.2123.6165.422.70000108.8V193 Q197V193-T195 PolarHBondContact O-N 3.16Å; V193-T195 VanDerWaalsContact O-N 3.17Å; T195-Q197 PolarHBondContact O-N 3.2Å
196K47.4Very low52.7Low201 Ų201164.4 Ų164.487%0.87483%0.825SS**PPolyproline II helixtrans-58.4117.8178-143.8178.7-176.7-1740108.3K194 E198K194-K196 PolarHBondContact O-N 3.26Å; K196-E198 PolarHBondContact O-N 2.92Å
197Q48Very low51.2Low191 Ų191167.5 Ų167.589%0.89383%0.83SS**PPolyproline II helixtrans-70.5121.6169.8-80.3178-29.700108.7T195T195-Q197 PolarHBondContact O-N 3.2Å
198E48.8Very low49.7Very low175 Ų175173.6 Ų173.682%0.81885%0.851SS**PPolyproline II helixtrans-68.2139.4166-79.6-77.9128.100109.6K196K196-E198 PolarHBondContact O-N 2.92Å
199P40.5Very low48.9Very low117 Ų117170.6 Ų170.676%0.7685%0.85SS**PPolyproline II helixtrans-78.3130.8-177.929.9-30.9000112.4
200D40.5Very low48Very low158 Ų158170.7 Ų170.785%0.84585%0.853SS**PPolyproline II helixtrans-67.2128179.5-151-16.3000112.2K202D200-K202 PolarHBondContact O-N 3.39Å
201E43.9Very low47.3Very low187 Ų187173.6 Ų173.687%0.87486%0.86SS**  trans-67.3109.8177.7-91.3-173.3140.200111.2R203E201-R203 PolarHBondContact O-N 3.32Å
202K44.1Very low46.3Very low210 Ų210176.4 Ų176.491%0.91387%0.871SS**  trans-70.799.2170.5-74.2-175178.3179.40111.2D200 A204D200-K202 PolarHBondContact O-N 3.39Å; K202-A204 PolarHBondContact O-N 3.25Å; K202-A204 VanDerWaalsContact O-N 3.14Å
203R42.5Very low45.4Very low213 Ų213177.2 Ų177.280%0.80487%0.872SS**  trans-67.497.5166-158.2177.6-165.8-178.66.7110.4E201 R205E201-R203 PolarHBondContact O-N 3.32Å; R203-R205 PolarHBondContact O-N 2.74Å
204A41.3Very low43.9Very low102 Ų102179.5 Ų179.584%0.84387%0.873SS**  trans-74.7115.5170.300000110.5K202K202-A204 PolarHBondContact O-N 3.25Å; K202-A204 VanDerWaalsContact O-N 3.14Å
205R40.4Very low43.1Very low213 Ų213178.4 Ų178.480%0.80487%0.874SS**  trans-100.7134.5164.1-83.7-178.2172.5177.8-2.6109.3R203R203-R205 PolarHBondContact O-N 2.74Å
206K41Very low42.3Very low201 Ų201181.8 Ų181.887%0.87488%0.879SS**  trans-60.5150.9-178.2-65.1175171.5-177.60114.4
207H36.1Very low41.9Very low191 Ų191180.3 Ų180.388%0.88488%0.879SS**  trans-173.4130.8146.8-93.9-65.2000104.9
208V35.8Very low41.4Very low205 Ų205179.3 Ų179.3100%1.24288%0.878SS**  cis-144.6015.9164.30000106.9

Retrieved 208 of 208 residues in 224.6 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).