HXK_SCHMA Loading...

Hexokinase

Catalyzes the phosphorylation of various hexoses to hexose 6-phosphate.

AlphaFold DB , UniProt , Accession Q26609, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 451 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
1M54.5Low87.7Confident221 Ų22193.2 Ų93.2100%1.08947%0.473SS*.  0127.90-88.2174.8-173.100107.4
2V76.8Confident88.6Confident148 Ų14885.4 Ų85.490%0.89743%0.433SS*.  trans-84.7115.1167.4-178.30000105.5
3F80.7Confident89.3Confident100 Ų10082.3 Ų82.344%0.43942%0.421SS..  trans-70.7145.3174.8-70.5-74.6000109.2Q7 L8F3-Q7 HydrophobicContact CB-CB 4.07Å; F3-Q7 HydrophobicContact CD1-CB 3.97Å; F3-Q7 HydrophobicContact CG-CB 4.47Å; F3-L8 HydrophobicContact CB-CD2 3.76Å; F3-L8 HydrophobicContact CB-CG 3.85Å; F3-L8 HydrophobicContact CD2-CD2 4.3Å; F3-L8 HydrophobicContact CG-CD2 4.34Å
4S90.1Very high89.9Confident58 Ų5884.9 Ų84.941%0.40643%0.43SS..  trans-70.4159167.969.80000110.9Q6 Q7 L8S4-Q6 PolarHBondContact O-N 3.18Å; S4-Q6 VanDerWaalsContact O-N 3.15Å; S4-Q7 WeakPolarHBondContact O-CB 3.44Å; S4-Q7 PolarHBondContact O-N 3.3Å; S4-Q7 WeakPolarHBondContact OG-CG 3.31Å; S4-Q7 PolarHBondContact OG-N 2.92Å; S4-Q7 PolarHBondContact OG-OE1 2.97Å; S4-L8 PolarHBondContact O-N 2.8Å
5D91.5Very high90.5Very high90 Ų9081 Ų8148%0.48141%0.411SS..Hα-helixtrans-52.5-37.2174.7-70.49.4000112.5F9 I358D5-F9 WeakPolarHBondContact O-CB 3.44Å; D5-F9 PolarHBondContact O-N 2.95Å; D5-I358 HydrophobicContact CB-CB 4.23Å; D5-I358 HydrophobicContact CB-CD1 4.15Å; D5-I358 HydrophobicContact CB-CG1 4.14Å; D5-I358 WeakPolarHBondContact O-CD1 3.47Å
6Q92.8Very high91Very high91 Ų9176 Ų7643%0.42539%0.385SS..Hα-helixtrans-67.8-43177.2-177.658.427.200111.8S4 F9 E10S4-Q6 PolarHBondContact O-N 3.18Å; S4-Q6 VanDerWaalsContact O-N 3.15Å; Q6-F9 PolarHBondContact O-N 3.24Å; Q6-E10 WeakPolarHBondContact CG-OE1 3.29Å; Q6-E10 PolarHBondContact NE2-OE1 2.62Å; Q6-E10 WeakPolarHBondContact O-CG 3.33Å; Q6-E10 PolarHBondContact O-N 3.42Å
7Q94.5Very high91.4Very high92 Ų9278.8 Ų78.843%0.4339%0.394SS..Hα-helixtrans-66.3-37.8176.3-72172-33.300112F3 S4 K11F3-Q7 HydrophobicContact CB-CB 4.07Å; F3-Q7 HydrophobicContact CD1-CB 3.97Å; F3-Q7 HydrophobicContact CG-CB 4.47Å; S4-Q7 WeakPolarHBondContact O-CB 3.44Å; S4-Q7 PolarHBondContact O-N 3.3Å; S4-Q7 WeakPolarHBondContact OG-CG 3.31Å; S4-Q7 PolarHBondContact OG-N 2.92Å; S4-Q7 PolarHBondContact OG-OE1 2.97Å; Q7-K11 WeakPolarHBondContact O-CB 3.22Å; Q7-K11 PolarHBondContact O-N 3.38Å
8L94.3Very high91.8Very high25 Ų2578.1 Ų78.113%0.13140%0.397CS..Hα-helixtrans-61.6-46.7173.5-71.2176.5000110.7F3 S4 K11 V12 I307 I358F3-L8 HydrophobicContact CB-CD2 3.76Å; F3-L8 HydrophobicContact CB-CG 3.85Å; F3-L8 HydrophobicContact CD2-CD2 4.3Å; F3-L8 HydrophobicContact CG-CD2 4.34Å; S4-L8 PolarHBondContact O-N 2.8Å; L8-K11 WeakPolarHBondContact O-CB 3.34Å; L8-K11 PolarHBondContact O-N 3.2Å; L8-V12 WeakPolarHBondContact O-CG2 3.3Å; L8-V12 PolarHBondContact O-N 2.9Å; L8-V12 VanDerWaalsContact O-N 3.07Å; L8-I307 HydrophobicContact CD2-CG2 4.38Å; L8-I358 HydrophobicContact CB-CG1 4.45Å
9F96.3Very high92.1Very high25 Ų2574.2 Ų74.211%0.1138%0.376CS..Hα-helixtrans-63.7-43.8178.7-167.8-101.2000112.3D5 Q6 K11 V12 V13 I358 R361 I362 Y365D5-F9 WeakPolarHBondContact O-CB 3.44Å; D5-F9 PolarHBondContact O-N 2.95Å; Q6-F9 PolarHBondContact O-N 3.24Å; F9-K11 VanDerWaalsContact C-N 3.3Å; F9-K11 PolarHBondContact O-N 3.38Å; F9-V12 WeakPolarHBondContact O-CB 3.18Å; F9-V12 PolarHBondContact O-N 3.04Å; F9-V12 VanDerWaalsContact O-N 3.1Å; F9-V13 HydrophobicContact CD1-CG2 3.99Å; F9-V13 HydrophobicContact CE1-CG2 3.71Å; F9-V13 HydrophobicContact CZ-CG2 4.27Å; F9-V13 WeakPolarHBondContact O-CG2 3.4Å; F9-V13 PolarHBondContact O-N 3.35Å; F9-I358 HydrophobicContact CB-CD1 4.12Å; F9-I358 HydrophobicContact CD2-CD1 4.46Å; F9-R361 VanDerWaalsContact CD1-NH2 3.31Å; F9-R361 HydrophobicContact CD2-CG 3.96Å; F9-R361 VanDerWaalsContact CE1-NH2 3.34Å; F9-R361 HydrophobicContact CE2-CG 3.71Å; F9-R361 HydrophobicContact CZ-CG 4.48Å; F9-I362 HydrophobicContact CD2-CG1 4.09Å; F9-Y365 HydrophobicContact CE2-CD1 4.32Å; F9-Y365 HydrophobicContact CE2-CG 4.07Å; F9-Y365 HydrophobicContact CZ-CD1 4.29Å; F9-Y365 HydrophobicContact CZ-CD2 4.08Å; F9-Y365 AromaticContact CZ-CG 3.94Å; F9-Y365 HydrophobicContact CZ-CG 3.94Å
10E96.8Very high92.4Very high98 Ų9874.7 Ų74.746%0.45838%0.38SS..Hα-helixtrans-59.1-40.5175.4-75.6166.3-170.500112.2Q6 V12 V13 E14Q6-E10 WeakPolarHBondContact CG-OE1 3.29Å; Q6-E10 PolarHBondContact NE2-OE1 2.62Å; Q6-E10 WeakPolarHBondContact O-CG 3.33Å; Q6-E10 PolarHBondContact O-N 3.42Å; E10-V12 VanDerWaalsContact C-N 3.33Å; E10-V12 PolarHBondContact O-N 3.36Å; E10-V13 PolarHBondContact O-N 3.24Å; E10-E14 PolarHBondContact O-N 2.84Å; E10-E14 VanDerWaalsContact O-N 3.07Å
11K96.9Very high92.7Very high77 Ų7772.1 Ų72.134%0.33537%0.367SS..Hα-helixtrans-62.3-40.6174.4-171.5178.7179.3-169.10111.8Q7 L8 F9 E14 I15 I307Q7-K11 WeakPolarHBondContact O-CB 3.22Å; Q7-K11 PolarHBondContact O-N 3.38Å; L8-K11 WeakPolarHBondContact O-CB 3.34Å; L8-K11 PolarHBondContact O-N 3.2Å; F9-K11 VanDerWaalsContact C-N 3.3Å; F9-K11 PolarHBondContact O-N 3.38Å; K11-E14 PolarHBondContact O-N 2.96Å; K11-I15 HydrophobicContact CG-CD1 4.07Å; K11-I15 WeakPolarHBondContact O-CD1 3.33Å; K11-I15 VanDerWaalsContact O-CG1 3.26Å; K11-I15 WeakPolarHBondContact O-CG1 3.26Å; K11-I15 PolarHBondContact O-N 2.99Å; K11-I307 HydrophobicContact CD-CD1 3.72Å; K11-I307 HydrophobicContact CD-CG1 4.24Å; K11-I307 HydrophobicContact CG-CD1 4.13Å
12V98Very high94.8Very high0 Ų064.1 Ų64.10%033%0.333CS..Hα-helixtrans-64.3-42.5175.1172.50000111.3L8 F9 E10 E14 I15 L16 L302 I307 I362 Y365L8-V12 WeakPolarHBondContact O-CG2 3.3Å; L8-V12 PolarHBondContact O-N 2.9Å; L8-V12 VanDerWaalsContact O-N 3.07Å; F9-V12 WeakPolarHBondContact O-CB 3.18Å; F9-V12 PolarHBondContact O-N 3.04Å; F9-V12 VanDerWaalsContact O-N 3.1Å; E10-V12 VanDerWaalsContact C-N 3.33Å; E10-V12 PolarHBondContact O-N 3.36Å; V12-E14 VanDerWaalsContact C-N 3.31Å; V12-E14 PolarHBondContact O-N 3.01Å; V12-I15 PolarHBondContact O-N 2.65Å; V12-L16 HydrophobicContact CG1-CD1 3.78Å; V12-L16 HydrophobicContact CG1-CG 4.18Å; V12-L16 WeakPolarHBondContact O-CB 3.28Å; V12-L16 WeakPolarHBondContact O-CG 3.39Å; V12-L16 PolarHBondContact O-N 3.22Å; V12-L302 HydrophobicContact CG1-CD1 4.4Å; V12-L302 HydrophobicContact CG2-CD1 4.28Å; V12-L302 HydrophobicContact CG2-CD2 4.1Å; V12-I307 HydrophobicContact CG2-CG2 3.63Å; V12-I362 HydrophobicContact CG1-CG2 4.07Å; V12-I362 HydrophobicContact CG2-CD1 3.9Å; V12-I362 HydrophobicContact CG2-CG1 3.99Å; V12-I362 HydrophobicContact CG2-CG2 3.88Å; V12-Y365 HydrophobicContact CG1-CD1 3.98Å; V12-Y365 HydrophobicContact CG1-CE1 4.37Å
13V98.1Very high95.8Very high45 Ų4560 Ų6027%0.27331%0.308SS..Hα-helixtrans-57-45.4176.4171.40000110.7F9 E10 L16 K17 Y365F9-V13 HydrophobicContact CD1-CG2 3.99Å; F9-V13 HydrophobicContact CE1-CG2 3.71Å; F9-V13 HydrophobicContact CZ-CG2 4.27Å; F9-V13 WeakPolarHBondContact O-CG2 3.4Å; F9-V13 PolarHBondContact O-N 3.35Å; E10-V13 PolarHBondContact O-N 3.24Å; V13-L16 PolarHBondContact O-N 3.09Å; V13-K17 PolarHBondContact O-N 3.31Å; V13-Y365 HydrophobicContact CG2-CE1 3.92Å
14E97.9Very high96.6Very high118 Ų11860.1 Ų60.155%0.55132%0.317SS*.Hα-helixtrans-67.1-38.4176.6-71.2-60.5145.400113E10 K11 V12 L16 K17E10-E14 PolarHBondContact O-N 2.84Å; E10-E14 VanDerWaalsContact O-N 3.07Å; K11-E14 PolarHBondContact O-N 2.96Å; V12-E14 VanDerWaalsContact C-N 3.31Å; V12-E14 PolarHBondContact O-N 3.01Å; E14-L16 VanDerWaalsContact C-N 3.31Å; E14-L16 PolarHBondContact O-N 3.15Å; E14-K17 WeakPolarHBondContact O-CB 3.47Å; E14-K17 PolarHBondContact O-N 2.94Å; E14-K17 IonicContact OE1-NZ 3.63Å; E14-K17 IonicContact OE2-NZ 3.22Å; E14-K17 PolarHBondContact OE2-NZ 3.01Å
15I98.2Very high97.1Very high27 Ų2759.4 Ų59.414%0.13831%0.308CS..Hα-helixtrans-63.1-37.9175.8-70.4163.7000111.5K11 V12 P18 F266 Y301 L302 I307K11-I15 HydrophobicContact CG-CD1 4.07Å; K11-I15 WeakPolarHBondContact O-CD1 3.33Å; K11-I15 VanDerWaalsContact O-CG1 3.26Å; K11-I15 WeakPolarHBondContact O-CG1 3.26Å; K11-I15 PolarHBondContact O-N 2.99Å; V12-I15 PolarHBondContact O-N 2.65Å; I15-P18 WeakPolarHBondContact O-CD 3.38Å; I15-F266 HydrophobicContact CG2-CE2 4.23Å; I15-F266 HydrophobicContact CG2-CZ 3.86Å; I15-Y301 HydrophobicContact CD1-CE1 4.19Å; I15-Y301 HydrophobicContact CG1-CE1 4.49Å; I15-Y301 HydrophobicContact CG2-CD1 4.27Å; I15-Y301 HydrophobicContact CG2-CE1 3.93Å; I15-L302 HydrophobicContact CD1-CD2 3.76Å; I15-L302 HydrophobicContact CG2-CD2 4.3Å; I15-I307 HydrophobicContact CD1-CD1 3.67Å
16L98.5Very high97.4Very high1 Ų155.2 Ų55.21%0.00529%0.286CS..Hα-helixtrans-94.2-4.6-176.6-62.5-174.3000114.1V12 V13 E14 P18 F19 F266 I298 Y365 A366V12-L16 HydrophobicContact CG1-CD1 3.78Å; V12-L16 HydrophobicContact CG1-CG 4.18Å; V12-L16 WeakPolarHBondContact O-CB 3.28Å; V12-L16 WeakPolarHBondContact O-CG 3.39Å; V12-L16 PolarHBondContact O-N 3.22Å; V13-L16 PolarHBondContact O-N 3.09Å; E14-L16 VanDerWaalsContact C-N 3.31Å; E14-L16 PolarHBondContact O-N 3.15Å; L16-P18 VanDerWaalsContact O-N 3.13Å; L16-F19 HydrophobicContact CB-CD2 4.36Å; L16-F19 HydrophobicContact CD2-CD2 4.01Å; L16-F19 HydrophobicContact CD2-CE2 3.87Å; L16-F19 WeakPolarHBondContact O-CB 3.49Å; L16-F19 WeakPolarHBondContact O-CD2 3.28Å; L16-F19 PolarHBondContact O-N 2.83Å; L16-F266 HydrophobicContact CD2-CE2 4.15Å; L16-I298 HydrophobicContact CD1-CG2 4.49Å; L16-I298 HydrophobicContact CD2-CD1 4Å; L16-I298 HydrophobicContact CD2-CG1 4.19Å; L16-I298 HydrophobicContact CD2-CG2 3.75Å; L16-Y365 HydrophobicContact CB-CE1 4.28Å; L16-Y365 HydrophobicContact CD1-CD1 3.9Å; L16-Y365 HydrophobicContact CD1-CE1 4.01Å; L16-A366 HydrophobicContact CD1-CB 3.97Å
17K98.2Very high97.7Very high123 Ų12354.9 Ų54.954%0.53528%0.284SS..G310 helixtrans-48.2-37.4175.2-172.9176.1-171.9168.80114.4V13 E14 F19 D20V13-K17 PolarHBondContact O-N 3.31Å; E14-K17 WeakPolarHBondContact O-CB 3.47Å; E14-K17 PolarHBondContact O-N 2.94Å; E14-K17 IonicContact OE1-NZ 3.63Å; E14-K17 IonicContact OE2-NZ 3.22Å; E14-K17 PolarHBondContact OE2-NZ 3.01Å; K17-F19 PolarHBondContact O-N 3.34Å; K17-F19 VanDerWaalsContact O-N 3.1Å; K17-D20 PolarHBondContact O-N 3.44Å
18P98Very high97.9Very high67 Ų6754.2 Ų54.244%0.43528%0.281SS..G310 helixtrans-61.8-14175.1-26.438000115.6I15 L16 L21 T264I15-P18 WeakPolarHBondContact O-CD 3.38Å; L16-P18 VanDerWaalsContact O-N 3.13Å; P18-L21 WeakPolarHBondContact O-CD2 3.34Å; P18-T264 HydrophobicContact CB-CG2 3.75Å
19F98.4Very high98.1Very high3 Ų353 Ų531%0.01328%0.275CS..G310 helixtrans-81.5-23.2171.1-71.2-92.1000113L16 K17 L21 T264 F266 L294 I298 M369 V370 R373L16-F19 HydrophobicContact CB-CD2 4.36Å; L16-F19 HydrophobicContact CD2-CD2 4.01Å; L16-F19 HydrophobicContact CD2-CE2 3.87Å; L16-F19 WeakPolarHBondContact O-CB 3.49Å; L16-F19 WeakPolarHBondContact O-CD2 3.28Å; L16-F19 PolarHBondContact O-N 2.83Å; K17-F19 PolarHBondContact O-N 3.34Å; K17-F19 VanDerWaalsContact O-N 3.1Å; F19-L21 VanDerWaalsContact C-N 3.31Å; F19-L21 PolarHBondContact O-N 2.79Å; F19-L21 VanDerWaalsContact O-N 3.13Å; F19-T264 HydrophobicContact CD1-CG2 4.38Å; F19-T264 HydrophobicContact CD2-CG2 4.01Å; F19-T264 HydrophobicContact CE1-CG2 4.2Å; F19-T264 HydrophobicContact CE2-CG2 3.86Å; F19-T264 HydrophobicContact CG-CG2 4.26Å; F19-T264 HydrophobicContact CZ-CG2 3.93Å; F19-F266 AromaticContact CE2-CD2 3.55Å; F19-F266 HydrophobicContact CE2-CD2 3.55Å; F19-F266 HydrophobicContact CE2-CE2 4.03Å; F19-F266 HydrophobicContact CZ-CB 4.25Å; F19-F266 AromaticContact CZ-CD2 3.84Å; F19-F266 HydrophobicContact CZ-CD2 3.84Å; F19-F266 HydrophobicContact CZ-CG 4.45Å; F19-L294 HydrophobicContact CE1-CD2 3.99Å; F19-L294 HydrophobicContact CE1-CG 4.41Å; F19-I298 HydrophobicContact CE1-CD1 4.42Å; F19-I298 HydrophobicContact CE2-CD1 3.84Å; F19-I298 HydrophobicContact CE2-CG1 4.41Å; F19-I298 HydrophobicContact CZ-CD1 3.65Å; F19-I298 HydrophobicContact CZ-CG1 4.33Å; F19-M369 HydrophobicContact CB-CB 4.14Å; F19-V370 HydrophobicContact CD1-CG2 4.15Å; F19-V370 HydrophobicContact CE1-CG2 3.76Å; F19-V370 HydrophobicContact CZ-CG2 4.24Å; F19-R373 VanDerWaalsContact CE1-CZ 3.49Å
20D97.7Very high98.2Very high84 Ų8451.9 Ų51.945%0.44927%0.27SS..SBendtrans-89.968.9-177.5-162.937.3000110.7K17 K372K17-D20 PolarHBondContact O-N 3.44Å; D20-K372 IonicContact OD1-NZ 3.36Å; D20-K372 PolarHBondContact OD1-NZ 3.09Å
21L98.3Very high98.3Very high21 Ų2151.3 Ų51.311%0.1127%0.27CS..  trans-66.1146177.9-54-176.4000111.3P18 F19 D25 Y26 I29 W262P18-L21 WeakPolarHBondContact O-CD2 3.34Å; F19-L21 VanDerWaalsContact C-N 3.31Å; F19-L21 PolarHBondContact O-N 2.79Å; F19-L21 VanDerWaalsContact O-N 3.13Å; L21-D25 HydrophobicContact CB-CB 3.93Å; L21-Y26 HydrophobicContact CB-CD2 4.27Å; L21-Y26 HydrophobicContact CB-CE1 4.47Å; L21-Y26 HydrophobicContact CB-CE2 3.58Å; L21-Y26 HydrophobicContact CD1-CE1 4.16Å; L21-Y26 WeakPolarHBondContact O-CE2 3.13Å; L21-I29 HydrophobicContact CD1-CD1 4.08Å; L21-W262 HydrophobicContact CD1-CB 4.04Å; L21-W262 HydrophobicContact CD1-CG 4.12Å; L21-W262 HydrophobicContact CD2-CB 4.48Å; L21-W262 HydrophobicContact CD2-CG 4.43Å
22S98.2Very high98.3Very high54 Ų5451.3 Ų51.338%0.37827%0.268SS..  trans-77.1164.3176.174.80000111.7V24 D25 Y26S22-V24 PolarHBondContact O-N 2.87Å; S22-V24 PolarHBondContact OG-N 3.37Å; S22-D25 WeakPolarHBondContact CA-OD2 3.39Å; S22-D25 VanDerWaalsContact CB-OD2 3.29Å; S22-D25 WeakPolarHBondContact CB-OD2 3.41Å; S22-D25 PolarHBondContact N-OD2 2.95Å; S22-D25 WeakPolarHBondContact O-CB 3.39Å; S22-D25 PolarHBondContact O-N 3.07Å; S22-D25 VanDerWaalsContact O-N 3.11Å; S22-D25 PolarHBondContact OG-N 3.37Å; S22-D25 PolarHBondContact OG-OD2 3.13Å; S22-Y26 WeakPolarHBondContact O-CD2 3.38Å; S22-Y26 PolarHBondContact O-N 3.38Å
23V98.5Very high98.4Very high62 Ų6251.3 Ų51.338%0.37627%0.268SS..Hα-helixtrans-59.7-31.9173.6179.90000111.5Y26 E27 K419 L420V23-Y26 PolarHBondContact O-N 3.1Å; V23-E27 PolarHBondContact O-N 3.47Å; V23-K419 HydrophobicContact CG1-CB 4.39Å; V23-K419 HydrophobicContact CG2-CD 4.06Å; V23-L420 HydrophobicContact CG1-CD2 4.2Å
24V98.5Very high98.4Very high101 Ų10150.1 Ų50.161%0.61227%0.265SS*.Hα-helixtrans-65.4-40.2176.4178.70000111S22 Y26 E27 E28S22-V24 PolarHBondContact O-N 2.87Å; S22-V24 PolarHBondContact OG-N 3.37Å; V24-Y26 PolarHBondContact O-N 3.25Å; V24-E27 PolarHBondContact O-N 3.04Å; V24-E28 PolarHBondContact O-N 2.94Å
25D98.7Very high98.4Very high43 Ų4348.5 Ų48.523%0.2326%0.257CS..Hα-helixtrans-61.2-44.7174.6-64.8-65.7000111.2L21 S22 E27 E28 I29 W262L21-D25 HydrophobicContact CB-CB 3.93Å; S22-D25 WeakPolarHBondContact CA-OD2 3.39Å; S22-D25 VanDerWaalsContact CB-OD2 3.29Å; S22-D25 WeakPolarHBondContact CB-OD2 3.41Å; S22-D25 PolarHBondContact N-OD2 2.95Å; S22-D25 WeakPolarHBondContact O-CB 3.39Å; S22-D25 PolarHBondContact O-N 3.07Å; S22-D25 VanDerWaalsContact O-N 3.11Å; S22-D25 PolarHBondContact OG-N 3.37Å; S22-D25 PolarHBondContact OG-OD2 3.13Å; D25-E27 VanDerWaalsContact C-N 3.34Å; D25-E27 PolarHBondContact O-N 2.8Å; D25-E28 PolarHBondContact O-N 2.87Å; D25-I29 WeakPolarHBondContact O-CB 3.33Å; D25-I29 VanDerWaalsContact O-CG1 3.26Å; D25-I29 WeakPolarHBondContact O-CG1 3.34Å; D25-I29 PolarHBondContact O-N 2.86Å; D25-W262 PolarHBondContact OD1-NE1 2.7Å
26Y98.7Very high98.4Very high3 Ų347.5 Ų47.51%0.01225%0.253CS..Hα-helixtrans-67.5-34177.9-70.2-69.5000113.1L21 S22 V23 V24 I29 C30 Y376 L377 A380 M416L21-Y26 HydrophobicContact CB-CD2 4.27Å; L21-Y26 HydrophobicContact CB-CE1 4.47Å; L21-Y26 HydrophobicContact CB-CE2 3.58Å; L21-Y26 HydrophobicContact CD1-CE1 4.16Å; L21-Y26 WeakPolarHBondContact O-CE2 3.13Å; S22-Y26 WeakPolarHBondContact O-CD2 3.38Å; S22-Y26 PolarHBondContact O-N 3.38Å; V23-Y26 PolarHBondContact O-N 3.1Å; V24-Y26 PolarHBondContact O-N 3.25Å; Y26-I29 HydrophobicContact CD1-CD1 4.43Å; Y26-C30 VanDerWaalsContact O-CB 3.28Å; Y26-C30 WeakPolarHBondContact O-CB 3.36Å; Y26-C30 PolarHBondContact O-N 3.41Å; Y26-Y376 HydrophobicContact CD2-CD1 4.21Å; Y26-Y376 AromaticContact CE2-CD1 3.55Å; Y26-Y376 HydrophobicContact CE2-CD1 3.55Å; Y26-Y376 HydrophobicContact CE2-CG 4.24Å; Y26-Y376 AromaticContact CZ-CD1 3.84Å; Y26-Y376 WeakPolarHBondContact OH-CB 3.4Å; Y26-L377 HydrophobicContact CD1-CD2 4.36Å; Y26-L377 HydrophobicContact CE1-CD2 4Å; Y26-L377 HydrophobicContact CE1-CG 4.06Å; Y26-A380 HydrophobicContact CD1-CB 4.19Å; Y26-M416 HydrophobicContact CD2-CE 3.35Å; Y26-M416 HydrophobicContact CD2-SD 4.19Å; Y26-M416 HydrophobicContact CE2-CE 3.88Å; Y26-M416 HydrophobicContact CG-CE 3.77Å; Y26-M416 HydrophobicContact CG-SD 4.04Å
27E98.5Very high98.4Very high83 Ų8347.6 Ų47.639%0.38825%0.253SS..Hα-helixtrans-63.7-44.3172.3-177155.2-132.100111.3V23 V24 D25 C30 D31 R387 L420V23-E27 PolarHBondContact O-N 3.47Å; V24-E27 PolarHBondContact O-N 3.04Å; D25-E27 VanDerWaalsContact C-N 3.34Å; D25-E27 PolarHBondContact O-N 2.8Å; E27-C30 VanDerWaalsContact O-CB 3.32Å; E27-C30 WeakPolarHBondContact O-CB 3Å; E27-C30 PolarHBondContact O-N 3.27Å; E27-D31 PolarHBondContact O-N 3.29Å; E27-R387 IonicContact OE1-NH2 2.99Å; E27-R387 PolarHBondContact OE1-NH2 2.92Å; E27-L420 HydrophobicContact CB-CD2 3.77Å; E27-L420 HydrophobicContact CG-CD2 4.26Å
28E98.6Very high98.4Very high78 Ų7846.1 Ų46.136%0.36424%0.244SC..Hα-helixtrans-65.7-40.6176.7-167.3-179.7163.100112.2V24 D25 C30 D31 R32 W262V24-E28 PolarHBondContact O-N 2.94Å; D25-E28 PolarHBondContact O-N 2.87Å; E28-C30 VanDerWaalsContact C-N 3.3Å; E28-C30 PolarHBondContact O-N 3.46Å; E28-D31 PolarHBondContact O-N 3.41Å; E28-R32 WeakPolarHBondContact O-CB 3.28Å; E28-R32 WeakPolarHBondContact O-CG 3.48Å; E28-R32 PolarHBondContact O-N 3.36Å; E28-R32 IonicContact OE1-CZ 3.29Å; E28-R32 VanDerWaalsContact OE1-CZ 3.22Å; E28-R32 IonicContact OE1-NE 3.95Å; E28-R32 PolarHBondContact OE1-NE 3.39Å; E28-R32 IonicContact OE1-NH2 2.74Å; E28-R32 PolarHBondContact OE1-NH2 3.2Å; E28-W262 HydrophobicContact CB-CH2 4.06Å; E28-W262 HydrophobicContact CB-CZ2 4.05Å; E28-W262 HydrophobicContact CG-CH2 3.81Å; E28-W262 HydrophobicContact CG-CZ2 4.16Å
29I98.7Very high98.4Very high1 Ų144.6 Ų44.61%0.00523%0.232CC..Hα-helixtrans-58.3-44.6172.5-73.2167.8000110.5L21 D25 Y26 R32 M33 F253 L259 W262 L377L21-I29 HydrophobicContact CD1-CD1 4.08Å; D25-I29 WeakPolarHBondContact O-CB 3.33Å; D25-I29 VanDerWaalsContact O-CG1 3.26Å; D25-I29 WeakPolarHBondContact O-CG1 3.34Å; D25-I29 PolarHBondContact O-N 2.86Å; Y26-I29 HydrophobicContact CD1-CD1 4.43Å; I29-R32 PolarHBondContact O-N 3.41Å; I29-M33 VanDerWaalsContact O-CB 3.29Å; I29-M33 WeakPolarHBondContact O-CB 3.47Å; I29-M33 PolarHBondContact O-N 3.15Å; I29-F253 HydrophobicContact CG2-CE1 4.15Å; I29-L259 HydrophobicContact CG1-CD2 4.29Å; I29-L259 HydrophobicContact CG2-CD2 4.41Å; I29-W262 HydrophobicContact CD1-CB 4.43Å; I29-W262 HydrophobicContact CD1-CD2 3.82Å; I29-W262 HydrophobicContact CD1-CE3 4.01Å; I29-W262 HydrophobicContact CD1-CG 4.01Å; I29-W262 HydrophobicContact CG1-CD2 3.81Å; I29-W262 HydrophobicContact CG1-CE3 3.59Å; I29-W262 HydrophobicContact CG1-CH2 4Å; I29-W262 HydrophobicContact CG1-CZ2 4.22Å; I29-W262 HydrophobicContact CG1-CZ3 3.68Å; I29-L377 HydrophobicContact CD1-CD2 3.9Å; I29-L377 HydrophobicContact CG2-CD2 4.32Å
30C98.5Very high98.3Very high1 Ų144.5 Ų44.51%0.00723%0.232CC..Hα-helixtrans-60.1-44.3176.5173.90000111.5Y26 E27 E28 M33 G34 C384 L420Y26-C30 VanDerWaalsContact O-CB 3.28Å; Y26-C30 WeakPolarHBondContact O-CB 3.36Å; Y26-C30 PolarHBondContact O-N 3.41Å; E27-C30 VanDerWaalsContact O-CB 3.32Å; E27-C30 WeakPolarHBondContact O-CB 3Å; E27-C30 PolarHBondContact O-N 3.27Å; E28-C30 VanDerWaalsContact C-N 3.3Å; E28-C30 PolarHBondContact O-N 3.46Å; C30-M33 PolarHBondContact O-N 3.36Å; C30-G34 PolarHBondContact O-N 2.89Å; C30-C384 VanDerWaalsContact SG-CA 3.56Å; C30-C384 VanDerWaalsContact SG-CB 3.57Å; C30-L420 HydrophobicContact CB-CD1 4.39Å
31D98.5Very high98.3Very high86 Ų8640.6 Ų40.646%0.4621%0.211SC..Hα-helixtrans-68.8-42.9-179.9-70-18.7000112.3E27 E28 M33 G34 E35 R387E27-D31 PolarHBondContact O-N 3.29Å; E28-D31 PolarHBondContact O-N 3.41Å; D31-M33 VanDerWaalsContact C-N 3.3Å; D31-M33 PolarHBondContact O-N 2.78Å; D31-G34 PolarHBondContact O-N 3.32Å; D31-E35 PolarHBondContact O-N 3.19Å; D31-R387 IonicContact OD1-NH1 3.3Å; D31-R387 PolarHBondContact OD1-NH1 3.22Å
32R98.5Very high98.2Very high77 Ų7742 Ų4229%0.29122%0.217SC..Hα-helixtrans-62.5-37.3174.3-70.4177.3-177.7-149.82.4112.1E28 I29 S36 F253 E258E28-R32 WeakPolarHBondContact O-CB 3.28Å; E28-R32 WeakPolarHBondContact O-CG 3.48Å; E28-R32 PolarHBondContact O-N 3.36Å; E28-R32 IonicContact OE1-CZ 3.29Å; E28-R32 VanDerWaalsContact OE1-CZ 3.22Å; E28-R32 IonicContact OE1-NE 3.95Å; E28-R32 PolarHBondContact OE1-NE 3.39Å; E28-R32 IonicContact OE1-NH2 2.74Å; E28-R32 PolarHBondContact OE1-NH2 3.2Å; I29-R32 PolarHBondContact O-N 3.41Å; R32-S36 PolarHBondContact O-N 3.26Å; R32-S36 PolarHBondContact O-OG 2.92Å; R32-F253 HydrophobicContact CB-CE2 4.41Å; R32-F253 HydrophobicContact CB-CZ 3.96Å; R32-E258 WeakPolarHBondContact CD-O 3.48Å; R32-E258 PolarHBondContact NH1-O 3.5Å
33M98.6Very high98Very high0 Ų044.9 Ų44.90%022%0.223CC..Hα-helixtrans-64.2-45.4173.1-176.4174.8-6800110.9I29 C30 D31 E35 S36 M37 I51 W250 F253 Y282 G381 C384I29-M33 VanDerWaalsContact O-CB 3.29Å; I29-M33 WeakPolarHBondContact O-CB 3.47Å; I29-M33 PolarHBondContact O-N 3.15Å; C30-M33 PolarHBondContact O-N 3.36Å; D31-M33 VanDerWaalsContact C-N 3.3Å; D31-M33 PolarHBondContact O-N 2.78Å; M33-E35 VanDerWaalsContact C-N 3.31Å; M33-E35 PolarHBondContact O-N 2.91Å; M33-S36 WeakPolarHBondContact O-CB 3.4Å; M33-S36 PolarHBondContact O-N 2.98Å; M33-S36 VanDerWaalsContact O-N 3.14Å; M33-M37 HydrophobicContact CG-SD 4.44Å; M33-M37 WeakPolarHBondContact O-CG 3.33Å; M33-M37 PolarHBondContact O-N 3.37Å; M33-I51 HydrophobicContact CG-CD1 3.58Å; M33-W250 HydrophobicContact CE-CE3 4.49Å; M33-W250 HydrophobicContact SD-CE3 3.99Å; M33-F253 HydrophobicContact CB-CE1 4.23Å; M33-F253 HydrophobicContact CB-CE2 4.24Å; M33-F253 HydrophobicContact CB-CZ 4.01Å; M33-F253 HydrophobicContact CE-CD1 3.62Å; M33-F253 HydrophobicContact CE-CE1 3.98Å; M33-F253 HydrophobicContact CE-CG 4.17Å; M33-Y282 HydrophobicContact CE-CD2 4.25Å; M33-Y282 HydrophobicContact CE-CE1 4.19Å; M33-Y282 HydrophobicContact CE-CE2 3.73Å; M33-G381 VanDerWaalsContact SD-CA 3.6Å; M33-C384 HydrophobicContact CG-CB 4.47Å; M33-C384 HydrophobicContact SD-CB 4.26Å
34G98.2Very high97.9Very high19 Ų1946.5 Ų46.520%0.19624%0.237CC..Hα-helixtrans-59.6-40177.600000113.2C30 D31 M37 R38 C384C30-G34 PolarHBondContact O-N 2.89Å; D31-G34 PolarHBondContact O-N 3.32Å; G34-M37 PolarHBondContact O-N 3.05Å; G34-R38 PolarHBondContact O-N 3.49Å; G34-C384 WeakPolarHBondContact CA-SG 3.35Å; G34-C384 PolarHBondContact N-SG 2.83Å; G34-C384 VanDerWaalsContact N-SG 3.36Å
35E98.2Very high97.8Very high85 Ų8542.9 Ų42.940%0.39721%0.214SC..Hα-helixtrans-66.6-43.3173.617857.6-170.100111.9D31 M33 M37 R38 L39D31-E35 PolarHBondContact O-N 3.19Å; M33-E35 VanDerWaalsContact C-N 3.31Å; M33-E35 PolarHBondContact O-N 2.91Å; E35-M37 VanDerWaalsContact C-N 3.31Å; E35-M37 PolarHBondContact O-N 3.38Å; E35-R38 WeakPolarHBondContact O-CB 3.45Å; E35-R38 PolarHBondContact O-N 3.25Å; E35-R38 VanDerWaalsContact O-N 3.11Å; E35-R38 IonicContact OE1-CZ 3.49Å; E35-R38 IonicContact OE1-NE 3.08Å; E35-R38 IonicContact OE1-NH2 2.69Å; E35-R38 PolarHBondContact OE1-NH2 3.45Å; E35-R38 IonicContact OE2-CZ 3.63Å; E35-R38 IonicContact OE2-NE 3.86Å; E35-R38 PolarHBondContact OE2-NE 2.95Å; E35-R38 IonicContact OE2-NH2 2.78Å; E35-L39 HydrophobicContact CG-CD1 4.26Å; E35-L39 WeakPolarHBondContact O-CG 3.28Å; E35-L39 PolarHBondContact O-N 2.97Å
36S98.4Very high97.7Very high6 Ų642.1 Ų42.14%0.04221%0.21CC..Hα-helixtrans-60.2-41.1175.7-58.70000111.7R32 M33 L39 G40 S49R32-S36 PolarHBondContact O-N 3.26Å; R32-S36 PolarHBondContact O-OG 2.92Å; M33-S36 WeakPolarHBondContact O-CB 3.4Å; M33-S36 PolarHBondContact O-N 2.98Å; M33-S36 VanDerWaalsContact O-N 3.14Å; S36-L39 PolarHBondContact O-N 3.41Å; S36-G40 PolarHBondContact O-N 3.23Å; S36-S49 PolarHBondContact O-OG 2.96Å
37M98.4Very high97.5Very high2 Ų249.8 Ų49.81%0.0125%0.246CC..Hα-helixtrans-63.5-41.3173.5-69.2177.572.200112.4M33 G34 E35 G40 L41 I51 M53 Y226 T248 C384 I385 R388M33-M37 HydrophobicContact CG-SD 4.44Å; M33-M37 WeakPolarHBondContact O-CG 3.33Å; M33-M37 PolarHBondContact O-N 3.37Å; G34-M37 PolarHBondContact O-N 3.05Å; E35-M37 VanDerWaalsContact C-N 3.31Å; E35-M37 PolarHBondContact O-N 3.38Å; M37-G40 PolarHBondContact O-N 3.37Å; M37-L41 PolarHBondContact O-N 2.94Å; M37-I51 HydrophobicContact CG-CD1 4.06Å; M37-I51 HydrophobicContact CG-CG2 4.02Å; M37-M53 HydrophobicContact CB-CE 3.84Å; M37-M53 HydrophobicContact CB-SD 3.83Å; M37-M53 HydrophobicContact CE-CE 3.57Å; M37-M53 HydrophobicContact CE-SD 3.93Å; M37-M53 HydrophobicContact CG-CE 4.2Å; M37-M53 HydrophobicContact CG-SD 3.74Å; M37-M53 WeakPolarHBondContact O-CG 3.23Å; M37-Y226 HydrophobicContact CE-CD1 4.32Å; M37-Y226 HydrophobicContact CE-CE1 3.58Å; M37-T248 HydrophobicContact CE-CG2 4.13Å; M37-C384 VanDerWaalsContact SD-SG 3.64Å; M37-I385 HydrophobicContact CE-CD1 3.3Å; M37-I385 HydrophobicContact SD-CD1 3.75Å; M37-R388 VanDerWaalsContact CE-CD 3.49Å
38R97.6Very high97.3Very high92 Ų9253 Ų5335%0.34726%0.259SS..Hα-helixtrans-61.6-45.6177-170.1-164.666.570.9-2.5111.2G34 E35 G40 L41 Q42G34-R38 PolarHBondContact O-N 3.49Å; E35-R38 WeakPolarHBondContact O-CB 3.45Å; E35-R38 PolarHBondContact O-N 3.25Å; E35-R38 VanDerWaalsContact O-N 3.11Å; E35-R38 IonicContact OE1-CZ 3.49Å; E35-R38 IonicContact OE1-NE 3.08Å; E35-R38 IonicContact OE1-NH2 2.69Å; E35-R38 PolarHBondContact OE1-NH2 3.45Å; E35-R38 IonicContact OE2-CZ 3.63Å; E35-R38 IonicContact OE2-NE 3.86Å; E35-R38 PolarHBondContact OE2-NE 2.95Å; E35-R38 IonicContact OE2-NH2 2.78Å; R38-G40 VanDerWaalsContact C-N 3.31Å; R38-L41 PolarHBondContact O-N 3.48Å; R38-Q42 VanDerWaalsContact NH1-NE2 3.12Å
39L98Very high97.3Very high36 Ų3649.4 Ų49.419%0.18824%0.242CC..Hα-helixtrans-64.3-37.6174.9-64.1170.8000111.5E35 S36 L41 Q42 T45 N46E35-L39 HydrophobicContact CG-CD1 4.26Å; E35-L39 WeakPolarHBondContact O-CG 3.28Å; E35-L39 PolarHBondContact O-N 2.97Å; S36-L39 PolarHBondContact O-N 3.41Å; L39-L41 VanDerWaalsContact C-N 3.29Å; L39-L41 PolarHBondContact O-N 3.22Å; L39-Q42 PolarHBondContact O-N 2.92Å; L39-T45 VanDerWaalsContact CA-OG1 3.3Å; L39-T45 WeakPolarHBondContact CA-OG1 3.46Å; L39-T45 HydrophobicContact CD2-CG2 3.92Å; L39-T45 WeakPolarHBondContact CD2-OG1 3.48Å; L39-T45 CarbonylContact O-C 3.36Å; L39-T45 PolarHBondContact O-OG1 2.99Å; L39-N46 WeakPolarHBondContact O-CA 3.37Å; L39-N46 PolarHBondContact O-N 3.15Å
40G97.7Very high97.2Very high0 Ų049.5 Ų49.50%024%0.244CC..Hα-helixtrans-59.8-35.417900000113.5S36 M37 R38 Q42 N46 I51 L235S36-G40 PolarHBondContact O-N 3.23Å; M37-G40 PolarHBondContact O-N 3.37Å; R38-G40 VanDerWaalsContact C-N 3.31Å; G40-Q42 PolarHBondContact O-N 3.27Å; G40-N46 PolarHBondContact O-ND2 3.48Å; G40-I51 VanDerWaalsContact CA-O 3.29Å; G40-I51 WeakPolarHBondContact CA-O 3.23Å; G40-L235 WeakPolarHBondContact O-CD1 3.44Å
41L96.9Very high97.2Very high2 Ų249.5 Ų49.51%0.0124%0.243CC..THydrogen-bonded Turntrans-80-13.1-178.6-71.8175.9000115.1M37 R38 L39 M53 E228 V233 E234 I246M37-L41 PolarHBondContact O-N 2.94Å; R38-L41 PolarHBondContact O-N 3.48Å; L39-L41 VanDerWaalsContact C-N 3.29Å; L39-L41 PolarHBondContact O-N 3.22Å; L41-M53 HydrophobicContact CD1-CE 3.9Å; L41-M53 HydrophobicContact CD2-CB 3.67Å; L41-M53 HydrophobicContact CD2-CE 3.92Å; L41-M53 HydrophobicContact CD2-CG 4.34Å; L41-M53 HydrophobicContact CG-CB 4.01Å; L41-M53 HydrophobicContact CG-CE 3.7Å; L41-M53 HydrophobicContact CG-CG 4.17Å; L41-E228 HydrophobicContact CD1-CG 4.16Å; L41-V233 HydrophobicContact CD2-CB 4.44Å; L41-V233 HydrophobicContact CD2-CG1 4.18Å; L41-V233 HydrophobicContact CD2-CG2 4.03Å; L41-E234 WeakPolarHBondContact O-CB 3.5Å; L41-E234 PolarHBondContact O-N 3.48Å; L41-I246 HydrophobicContact CD2-CD1 4.18Å; L41-I246 HydrophobicContact CD2-CG1 4.29Å; L41-I246 HydrophobicContact CD2-CG2 4.5Å
42Q96.4Very high97.1Very high50 Ų5047.3 Ų47.323%0.23423%0.23CC..SBendtrans-96.7133.9-174.2-67.4179.3-21.900111.1R38 L39 G40 S44 T45 N46 E234R38-Q42 VanDerWaalsContact NH1-NE2 3.12Å; L39-Q42 PolarHBondContact O-N 2.92Å; G40-Q42 PolarHBondContact O-N 3.27Å; Q42-S44 PolarHBondContact O-N 3.32Å; Q42-T45 WeakPolarHBondContact CB-OG1 3.35Å; Q42-T45 PolarHBondContact O-N 2.9Å; Q42-T45 PolarHBondContact OE1-OG1 2.93Å; Q42-N46 VanDerWaalsContact O-CB 3.3Å; Q42-N46 WeakPolarHBondContact O-CB 3.43Å; Q42-N46 PolarHBondContact O-N 3.09Å; Q42-E234 VanDerWaalsContact CA-OE2 3.32Å; Q42-E234 WeakPolarHBondContact CA-OE2 3.32Å
43K94.3Very high97.1Very high116 Ų11643.6 Ų43.650%0.50422%0.216SC..THydrogen-bonded Turntrans-57.4-39.9-179.6-73.3-172.5-169.7-169.60111.5E234 L235 D237K43-E234 WeakPolarHBondContact CE-O 3.16Å; K43-E234 HydrophobicContact CG-CB 3.93Å; K43-E234 WeakPolarHBondContact CG-O 3.3Å; K43-E234 PolarHBondContact N-OE2 2.97Å; K43-L235 HydrophobicContact CG-CD2 4.42Å; K43-D237 IonicContact NZ-OD1 2.7Å; K43-D237 PolarHBondContact NZ-OD1 2.88Å; K43-D237 IonicContact NZ-OD2 3.73Å
44S96.1Very high97Very high96 Ų9644.6 Ų44.667%0.67122%0.22SC*.THydrogen-bonded Turntrans-76.4-19.9-174.561.40000114.8Q42Q42-S44 PolarHBondContact O-N 3.32Å
45T97Very high96.9Very high24 Ų2444.1 Ų44.115%0.14721%0.214CC..THydrogen-bonded Turntrans-123.4-6.5-17561.40000114.3L39 Q42 E47 K48 S49L39-T45 VanDerWaalsContact CA-OG1 3.3Å; L39-T45 WeakPolarHBondContact CA-OG1 3.46Å; L39-T45 HydrophobicContact CD2-CG2 3.92Å; L39-T45 WeakPolarHBondContact CD2-OG1 3.48Å; L39-T45 CarbonylContact O-C 3.36Å; L39-T45 PolarHBondContact O-OG1 2.99Å; Q42-T45 WeakPolarHBondContact CB-OG1 3.35Å; Q42-T45 PolarHBondContact O-N 2.9Å; Q42-T45 PolarHBondContact OE1-OG1 2.93Å; T45-E47 VanDerWaalsContact C-N 3.27Å; T45-E47 PolarHBondContact O-N 2.92Å; T45-K48 WeakPolarHBondContact O-CB 3.34Å; T45-K48 PolarHBondContact O-N 2.96Å; T45-S49 PolarHBondContact O-N 3.19Å
46N96.4Very high96.8Very high27 Ų2740.1 Ų40.114%0.14420%0.195CC..THydrogen-bonded Turntrans-51.5-42.5178.6178.3-84.9000113.1L39 G40 Q42 K48 S49 K52 L235L39-N46 WeakPolarHBondContact O-CA 3.37Å; L39-N46 PolarHBondContact O-N 3.15Å; G40-N46 PolarHBondContact O-ND2 3.48Å; Q42-N46 VanDerWaalsContact O-CB 3.3Å; Q42-N46 WeakPolarHBondContact O-CB 3.43Å; Q42-N46 PolarHBondContact O-N 3.09Å; N46-K48 PolarHBondContact O-N 2.67Å; N46-S49 PolarHBondContact O-N 2.88Å; N46-K52 PolarHBondContact ND2-O 3.25Å; N46-K52 PolarHBondContact O-NZ 2.9Å; N46-L235 HydrophobicContact CB-CD2 4.16Å
47E94Very high96.5Very high164 Ų16442.5 Ų42.577%0.76620%0.203SC*.THydrogen-bonded Turntrans-59.8-35.3179.5-68.9-17217000112.8T45 K52T45-E47 VanDerWaalsContact C-N 3.27Å; T45-E47 PolarHBondContact O-N 2.92Å; E47-K52 PolarHBondContact O-NZ 3.34Å; E47-K52 VanDerWaalsContact O-NZ 3.09Å
48K95.1Very high96.3Very high151 Ų15142.7 Ų42.766%0.65720%0.204SC*.THydrogen-bonded Turntrans-78-26.4-179.6-62.9179.3-178.31750112.4T45 N46 K256T45-K48 WeakPolarHBondContact O-CB 3.34Å; T45-K48 PolarHBondContact O-N 2.96Å; N46-K48 PolarHBondContact O-N 2.67Å; K48-K256 WeakPolarHBondContact O-CE 3.4Å; K48-K256 WeakPolarHBondContact O-CG 3.34Å
49S97.6Very high96Very high2 Ų240.2 Ų40.21%0.01420%0.2CC..  trans-72.3140.7178.2-170.90000112.4S36 T45 N46 I51 K52S36-S49 PolarHBondContact O-OG 2.96Å; T45-S49 PolarHBondContact O-N 3.19Å; N46-S49 PolarHBondContact O-N 2.88Å; S49-I51 WeakPolarHBondContact CB-O 3.39Å; S49-I51 PolarHBondContact OG-N 3.19Å; S49-I51 VanDerWaalsContact OG-N 3.09Å; S49-I51 PolarHBondContact OG-O 2.84Å; S49-K52 WeakPolarHBondContact O-CE 3.14Å; S49-K52 PolarHBondContact O-NZ 3.33Å
50S97.1Very high95.4Very high4 Ų445 Ų453%0.02822%0.219CC..SBendtrans-73.5-34.3165.1560000112A252 E258S50-A252 WeakPolarHBondContact CB-O 3.26Å; S50-A252 WeakPolarHBondContact O-CB 3.18Å; S50-E258 WeakPolarHBondContact CB-OE1 3.39Å; S50-E258 PolarHBondContact OG-OE1 2.66Å
51I98.1Very high94.7Very high0 Ų047.3 Ų47.30%023%0.233CC..SBendtrans-92.3107.9178.2-54.8-176.4000108.8M33 M37 G40 S49 M53 T248 W250 F253M33-I51 HydrophobicContact CG-CD1 3.58Å; M37-I51 HydrophobicContact CG-CD1 4.06Å; M37-I51 HydrophobicContact CG-CG2 4.02Å; G40-I51 VanDerWaalsContact CA-O 3.29Å; G40-I51 WeakPolarHBondContact CA-O 3.23Å; S49-I51 WeakPolarHBondContact CB-O 3.39Å; S49-I51 PolarHBondContact OG-N 3.19Å; S49-I51 VanDerWaalsContact OG-N 3.09Å; S49-I51 PolarHBondContact OG-O 2.84Å; I51-M53 HydrophobicContact CG2-CG 4.07Å; I51-M53 HydrophobicContact CG2-SD 3.66Å; I51-T248 WeakPolarHBondContact CG2-O 3.4Å; I51-W250 HydrophobicContact CD1-CB 4.4Å; I51-F253 HydrophobicContact CD1-CB 3.98Å; I51-F253 HydrophobicContact CD1-CD2 3.85Å; I51-F253 HydrophobicContact CD1-CG 4.1Å; I51-F253 HydrophobicContact CG1-CB 3.95Å; I51-F253 HydrophobicContact CG1-CD2 4.11Å; I51-F253 HydrophobicContact CG1-CG 4.41Å
52K97.1Very high94.2Very high40 Ų4047.3 Ų47.317%0.17423%0.233CC..  trans-82.7-17.2-166.9-66.7-57.6-171.5-167.40115.3N46 E47 S49 F54 T248N46-K52 PolarHBondContact ND2-O 3.25Å; N46-K52 PolarHBondContact O-NZ 2.9Å; E47-K52 PolarHBondContact O-NZ 3.34Å; E47-K52 VanDerWaalsContact O-NZ 3.09Å; S49-K52 WeakPolarHBondContact O-CE 3.14Å; S49-K52 PolarHBondContact O-NZ 3.33Å; K52-F54 HydrophobicContact CB-CD1 4.05Å; K52-F54 HydrophobicContact CB-CD2 4.21Å; K52-F54 HydrophobicContact CB-CE1 3.54Å; K52-F54 HydrophobicContact CB-CE2 3.72Å; K52-F54 HydrophobicContact CB-CG 4.36Å; K52-F54 HydrophobicContact CB-CZ 3.36Å; K52-F54 HydrophobicContact CG-CE1 4.23Å; K52-F54 HydrophobicContact CG-CE2 4.3Å; K52-F54 HydrophobicContact CG-CZ 3.75Å; K52-F54 PolarHBondContact O-N 2.77Å; K52-T248 PolarHBondContact N-O 2.92Å
53M97.6Very high93.7Very high0 Ų049.8 Ų49.80%025%0.248CC..  trans54.548172-55.2-67.1-77.400113.1M37 L41 I51 P55 Y226 I246 N247 T248M37-M53 HydrophobicContact CB-CE 3.84Å; M37-M53 HydrophobicContact CB-SD 3.83Å; M37-M53 HydrophobicContact CE-CE 3.57Å; M37-M53 HydrophobicContact CE-SD 3.93Å; M37-M53 HydrophobicContact CG-CE 4.2Å; M37-M53 HydrophobicContact CG-SD 3.74Å; M37-M53 WeakPolarHBondContact O-CG 3.23Å; L41-M53 HydrophobicContact CD1-CE 3.9Å; L41-M53 HydrophobicContact CD2-CB 3.67Å; L41-M53 HydrophobicContact CD2-CE 3.92Å; L41-M53 HydrophobicContact CD2-CG 4.34Å; L41-M53 HydrophobicContact CG-CB 4.01Å; L41-M53 HydrophobicContact CG-CE 3.7Å; L41-M53 HydrophobicContact CG-CG 4.17Å; I51-M53 HydrophobicContact CG2-CG 4.07Å; I51-M53 HydrophobicContact CG2-SD 3.66Å; M53-P55 WeakPolarHBondContact O-CD 3.35Å; M53-Y226 HydrophobicContact CE-CE1 3.72Å; M53-Y226 WeakPolarHBondContact CE-OH 3.35Å; M53-I246 HydrophobicContact CB-CG2 3.93Å; M53-I246 HydrophobicContact CE-CG2 3.93Å; M53-I246 HydrophobicContact SD-CG2 4.19Å; M53-N247 CarbonylContact C-O 3.59Å; M53-T248 PolarHBondContact N-O 2.68Å; M53-T248 VanDerWaalsContact N-O 3.14Å; M53-T248 HydrophobicContact SD-CG2 3.88Å
54F96.8Very high93.2Very high21 Ų2144.7 Ų44.79%0.09223%0.228CC..EExtended strand (participates in β ladder)trans-65.3122.1-177.1-64-47.5000111.5K52 S56 P146 V148 V158 N247 E249K52-F54 HydrophobicContact CB-CD1 4.05Å; K52-F54 HydrophobicContact CB-CD2 4.21Å; K52-F54 HydrophobicContact CB-CE1 3.54Å; K52-F54 HydrophobicContact CB-CE2 3.72Å; K52-F54 HydrophobicContact CB-CG 4.36Å; K52-F54 HydrophobicContact CB-CZ 3.36Å; K52-F54 HydrophobicContact CG-CE1 4.23Å; K52-F54 HydrophobicContact CG-CE2 4.3Å; K52-F54 HydrophobicContact CG-CZ 3.75Å; K52-F54 PolarHBondContact O-N 2.77Å; F54-S56 PolarHBondContact O-N 3Å; F54-P146 HydrophobicContact CE2-CB 4.24Å; F54-V148 HydrophobicContact CD1-CG2 4.05Å; F54-V148 HydrophobicContact CE1-CG2 3.62Å; F54-V148 HydrophobicContact CZ-CG2 4.08Å; F54-V158 HydrophobicContact CE2-CG2 4.26Å; F54-V158 HydrophobicContact CZ-CG2 4.02Å; F54-N247 PolarHBondContact N-O 2.94Å; F54-N247 PolarHBondContact O-N 2.79Å; F54-E249 HydrophobicContact CD2-CB 4.44Å; F54-E249 HydrophobicContact CD2-CG 3.57Å; F54-E249 HydrophobicContact CE2-CB 4.48Å; F54-E249 HydrophobicContact CE2-CG 3.85Å
55P96.5Very high92.8Very high9 Ų944 Ų446%0.05822%0.221CC..EExtended strand (participates in β ladder)trans-69.6130.9175.1-13.727.9000111M53 Y57 V233 L235 M236 I246M53-P55 WeakPolarHBondContact O-CD 3.35Å; P55-Y57 VanDerWaalsContact C-N 3.32Å; P55-Y57 HydrophobicContact CB-CE2 4.48Å; P55-Y57 WeakPolarHBondContact O-CD2 3.24Å; P55-V233 HydrophobicContact CB-CG1 4.47Å; P55-V233 HydrophobicContact CG-CG1 3.89Å; P55-L235 HydrophobicContact CG-CB 3.8Å; P55-L235 HydrophobicContact CG-CD1 4.35Å; P55-M236 HydrophobicContact CB-CE 4.06Å; P55-M236 HydrophobicContact CB-CG 3.45Å; P55-M236 VanDerWaalsContact CB-CG 3.45Å; P55-M236 HydrophobicContact CB-SD 3.32Å; P55-M236 WeakPolarHBondContact CB-SD 3.49Å; P55-M236 HydrophobicContact CG-CG 3.49Å; P55-M236 VanDerWaalsContact CG-CG 3.49Å; P55-M236 HydrophobicContact CG-SD 4.01Å; P55-I246 HydrophobicContact CB-CD1 4Å; P55-I246 HydrophobicContact CG-CD1 4.26Å
56S95.2Very high92.3Very high0 Ų043.2 Ų43.20%022%0.215CC..  trans-82.2-9.6-178.667.80000114.1F54 V58 Q149 V245F54-S56 PolarHBondContact O-N 3Å; S56-V58 PolarHBondContact O-N 3.17Å; S56-V58 VanDerWaalsContact O-N 3.16Å; S56-V58 WeakPolarHBondContact OG-CB 3.14Å; S56-V58 PolarHBondContact OG-N 3.31Å; S56-Q149 PolarHBondContact O-NE2 2.87Å; S56-V245 WeakPolarHBondContact CB-O 3.35Å; S56-V245 PolarHBondContact N-O 3.38Å; S56-V245 WeakPolarHBondContact OG-CB 3.3Å; S56-V245 PolarHBondContact OG-O 3.41Å
57Y93Very high92.1Very high56 Ų5646.4 Ų46.422%0.2224%0.236CC..  trans61.610.6-168.9-69.5-105.6000114.6P55 T59 Q149 K150 M236P55-Y57 VanDerWaalsContact C-N 3.32Å; P55-Y57 HydrophobicContact CB-CE2 4.48Å; P55-Y57 WeakPolarHBondContact O-CD2 3.24Å; Y57-T59 PolarHBondContact O-N 3.48Å; Y57-Q149 HydrophobicContact CD2-CB 3.82Å; Y57-Q149 HydrophobicContact CE2-CB 4.13Å; Y57-Q149 WeakPolarHBondContact CE2-O 3.32Å; Y57-K150 VanDerWaalsContact CZ-C 3.49Å; Y57-M236 HydrophobicContact CD1-CE 3.32Å; Y57-M236 HydrophobicContact CD2-CE 3.75Å; Y57-M236 HydrophobicContact CE1-CE 3.43Å; Y57-M236 VanDerWaalsContact CE1-CE 3.43Å; Y57-M236 HydrophobicContact CE2-CE 3.81Å; Y57-M236 HydrophobicContact CG-CE 3.49Å; Y57-M236 VanDerWaalsContact CG-CE 3.49Å
58V93.4Very high92Very high6 Ų640.1 Ų40.14%0.03622%0.215CC..  trans-86.3100.5169.5-177.10000108.6S56 L152 V195 V199 V245 I443S56-V58 PolarHBondContact O-N 3.17Å; S56-V58 VanDerWaalsContact O-N 3.16Å; S56-V58 WeakPolarHBondContact OG-CB 3.14Å; S56-V58 PolarHBondContact OG-N 3.31Å; V58-L152 HydrophobicContact CG2-CD2 3.9Å; V58-V195 HydrophobicContact CG2-CG1 4.42Å; V58-V199 HydrophobicContact CB-CG1 4.41Å; V58-V199 HydrophobicContact CG2-CG1 3.94Å; V58-V245 HydrophobicContact CB-CB 4.31Å; V58-V245 HydrophobicContact CB-CG2 4.33Å; V58-V245 HydrophobicContact CG1-CG2 4.26Å; V58-V245 PolarHBondContact O-N 2.95Å; V58-I443 HydrophobicContact CG1-CD1 4.32Å; V58-I443 HydrophobicContact CG1-CG1 4.3Å; V58-I443 HydrophobicContact CG2-CD1 4.11Å; V58-I443 HydrophobicContact CG2-CG2 4.04Å
59T91.3Very high92Very high40 Ų4037 Ų3725%0.24521%0.206CC..  trans-100.3-10.2-178.355.50000113.9Y57 V239 E241 E243 V244Y57-T59 PolarHBondContact O-N 3.48Å; T59-V239 HydrophobicContact CG2-CG1 4.02Å; T59-E241 HydrophobicContact CG2-CB 3.94Å; T59-E241 HydrophobicContact CG2-CG 4.22Å; T59-E243 WeakPolarHBondContact CA-O 3.36Å; T59-E243 WeakPolarHBondContact CB-O 3.31Å; T59-V244 HydrophobicContact CG2-CB 4.26Å; T59-V244 HydrophobicContact CG2-CG2 4.19Å
60K85.1Confident91.9Very high137 Ų13737.5 Ų37.560%0.59621%0.208SC*.SBendtrans-132117.5175-65.5178.7-175.6172.20108.6
61T84.8Confident91.9Very high48 Ų4837.3 Ų37.329%0.29421%0.206SC..  trans-72.8152.517050.30000110.1L202 I227 V245T61-L202 HydrophobicContact CG2-CD2 3.58Å; T61-I227 HydrophobicContact CG2-CD1 4.08Å; T61-V245 HydrophobicContact CG2-CG2 4.33Å
62P85.2Confident91.9Very high3 Ų337.3 Ų37.32%0.01921%0.206CC..  trans-59.2144.6174.3-23.134.4000111.6E66 A203 L207 A442P62-E66 WeakPolarHBondContact CA-OE1 3.41Å; P62-A203 HydrophobicContact CG-CB 3.97Å; P62-L207 HydrophobicContact CB-CD2 3.32Å; P62-L207 HydrophobicContact CB-CG 3.73Å; P62-L207 HydrophobicContact CG-CD2 4.45Å; P62-L207 HydrophobicContact CG-CG 4.45Å; P62-A442 HydrophobicContact CB-CB 3.96Å; P62-A442 HydrophobicContact CG-CB 3.53Å
63N85.2Confident91.9Very high101 Ų10135.4 Ų35.454%0.5420%0.198SC..  trans-124.811.4-175.269.23.1000114.1T65 E66 R449N63-T65 VanDerWaalsContact C-N 3.3Å; N63-T65 PolarHBondContact O-N 2.9Å; N63-T65 WeakPolarHBondContact OD1-CB 3.22Å; N63-T65 PolarHBondContact OD1-N 3.14Å; N63-T65 PolarHBondContact OD1-OG1 2.95Å; N63-E66 PolarHBondContact N-OE1 3.48Å; N63-E66 PolarHBondContact N-OE2 3.06Å; N63-E66 PolarHBondContact OD1-OE1 3.39Å; N63-R449 PolarHBondContact OD1-NH2 3.36Å
64G84.3Confident91.8Very high9 Ų935.9 Ų35.99%0.09320%0.2CC..SBendtrans80.85.7177.800000114.2E66 G89 K90 G91G64-E66 VanDerWaalsContact CA-OE2 3.27Å; G64-E66 WeakPolarHBondContact CA-OE2 3.32Å; G64-E66 PolarHBondContact N-OE2 2.96Å; G64-G89 CarbonylContact O-C 3.2Å; G64-G89 VanDerWaalsContact O-CA 3.27Å; G64-G89 WeakPolarHBondContact O-CA 3.36Å; G64-K90 PolarHBondContact O-N 3.17Å; G64-G91 PolarHBondContact O-N 2.89Å
65T87.6Confident91.7Very high83 Ų8334.9 Ų34.951%0.50920%0.196SC..  trans-95.4-4.1173670000113N63 R449N63-T65 VanDerWaalsContact C-N 3.3Å; N63-T65 PolarHBondContact O-N 2.9Å; N63-T65 WeakPolarHBondContact OD1-CB 3.22Å; N63-T65 PolarHBondContact OD1-N 3.14Å; N63-T65 PolarHBondContact OD1-OG1 2.95Å; T65-R449 VanDerWaalsContact C-NH2 3.27Å; T65-R449 PolarHBondContact OG1-NH2 2.64Å
66E87.4Confident91.3Very high6 Ų635 Ų353%0.02820%0.199CC..  trans-62.8137.3176-60.771.9-154.600110.2P62 N63 G64 L87 G89 A445 R449P62-E66 WeakPolarHBondContact CA-OE1 3.41Å; N63-E66 PolarHBondContact N-OE1 3.48Å; N63-E66 PolarHBondContact N-OE2 3.06Å; N63-E66 PolarHBondContact OD1-OE1 3.39Å; G64-E66 VanDerWaalsContact CA-OE2 3.27Å; G64-E66 WeakPolarHBondContact CA-OE2 3.32Å; G64-E66 PolarHBondContact N-OE2 2.96Å; E66-L87 HydrophobicContact CB-CB 4.44Å; E66-L87 HydrophobicContact CB-CD1 3.66Å; E66-L87 WeakPolarHBondContact O-CB 3.3Å; E66-G89 WeakPolarHBondContact O-CA 3.37Å; E66-G89 PolarHBondContact O-N 3.49Å; E66-A445 HydrophobicContact CB-CB 3.96Å; E66-A445 HydrophobicContact CG-CB 4.06Å; E66-R449 IonicContact OE1-CZ 2.68Å; E66-R449 IonicContact OE1-NH1 3.49Å; E66-R449 IonicContact OE1-NH2 3.5Å; E66-R449 PolarHBondContact OE1-NH2 3.17Å; E66-R449 IonicContact OE2-NH2 3.63Å; E66-R449 PolarHBondContact OE2-NH2 3.45Å
67T91.4Very high90.6Very high95 Ų9535.6 Ų35.658%0.58321%0.205SC*.EExtended strand (participates in β ladder)trans-136.2151.2176.660.80000110.2F70 L87T67-F70 WeakPolarHBondContact O-CE2 3.22Å; T67-L87 CarbonylContact C-O 3.59Å; T67-L87 VanDerWaalsContact CA-O 3.23Å; T67-L87 WeakPolarHBondContact CA-O 3.38Å
68G92.9Very high90Very high32 Ų3236.9 Ų36.933%0.3322%0.219SC..EExtended strand (participates in β ladder)trans127-179.5175.100000113.4T86 L87G68-T86 WeakPolarHBondContact O-CA 3.41Å; G68-L87 PolarHBondContact N-O 3.48Å; G68-L87 PolarHBondContact O-N 2.83Å
69N94.3Very high89.7Confident86 Ų8640.5 Ų40.546%0.4624%0.238SC..EExtended strand (participates in β ladder)trans-111120.4177.1-63.1-44.7000108.9T86 F137N69-T86 VanDerWaalsContact OD1-CB 3.31Å; N69-T86 WeakPolarHBondContact OD1-CB 3.49Å; N69-T86 WeakPolarHBondContact OD1-CG2 3.29Å; N69-T86 PolarHBondContact OD1-OG1 3.19Å; N69-F137 HydrophobicContact CB-CD1 4.49Å; N69-F137 HydrophobicContact CB-CE1 4.06Å
70F96Very high89.8Confident12 Ų1238.6 Ų38.65%0.05323%0.226CC..EExtended strand (participates in β ladder)trans-124.8149.4-177.4-62.5-88.4000109.3T67 V85 L87 D138 A441 A444 A445 T448T67-F70 WeakPolarHBondContact O-CE2 3.22Å; F70-V85 PolarHBondContact N-O 2.92Å; F70-V85 PolarHBondContact O-N 3.49Å; F70-L87 HydrophobicContact CD2-CD1 3.95Å; F70-L87 HydrophobicContact CD2-CG 4.45Å; F70-L87 HydrophobicContact CE2-CD1 4.1Å; F70-D138 HydrophobicContact CD1-CB 4.05Å; F70-D138 HydrophobicContact CE1-CB 4.22Å; F70-A441 HydrophobicContact CB-CB 4.08Å; F70-A444 HydrophobicContact CD1-CB 4.21Å; F70-A445 HydrophobicContact CD1-CB 4.3Å; F70-A445 HydrophobicContact CD2-CB 3.82Å; F70-A445 HydrophobicContact CE1-CB 3.89Å; F70-A445 HydrophobicContact CE2-CB 3.35Å; F70-A445 HydrophobicContact CG-CB 4.28Å; F70-A445 VanDerWaalsContact CZ-CA 3.43Å; F70-A445 HydrophobicContact CZ-CB 3.4Å; F70-T448 HydrophobicContact CE1-CG2 4.27Å
71L97.2Very high90.2Very high0 Ų033.2 Ų33.20%020%0.202CC..EExtended strand (participates in β ladder)trans-91.8151.6167.1-65.2168.3000108.9L83 L123 F126 L127 F137 D138 L139 G140 V189L71-L83 CarbonylContact C-O 3.54Å; L71-L83 VanDerWaalsContact CA-O 3.31Å; L71-L83 WeakPolarHBondContact CA-O 3.26Å; L71-L123 HydrophobicContact CD1-CD1 4.21Å; L71-F126 HydrophobicContact CD2-CE1 4.43Å; L71-L127 HydrophobicContact CD1-CD2 4Å; L71-L127 HydrophobicContact CD2-CD2 4.02Å; L71-F137 HydrophobicContact CD1-CB 3.39Å; L71-F137 HydrophobicContact CD1-CD1 4.32Å; L71-F137 HydrophobicContact CD1-CD2 3.78Å; L71-F137 HydrophobicContact CD1-CG 3.59Å; L71-F137 HydrophobicContact CD2-CD1 4.46Å; L71-F137 HydrophobicContact CD2-CG 4.46Å; L71-F137 HydrophobicContact CG-CB 3.69Å; L71-F137 HydrophobicContact CG-CD1 3.93Å; L71-F137 HydrophobicContact CG-CD2 4.24Å; L71-F137 HydrophobicContact CG-CG 3.7Å; L71-D138 PolarHBondContact N-O 2.91Å; L71-L139 HydrophobicContact CB-CB 4.32Å; L71-L139 HydrophobicContact CB-CD1 3.49Å; L71-L139 VanDerWaalsContact CB-CD1 3.49Å; L71-L139 WeakPolarHBondContact O-CA 3.36Å; L71-G140 PolarHBondContact O-N 3.13Å; L71-V189 HydrophobicContact CD1-CG1 3.89Å; L71-V189 HydrophobicContact CD1-CG2 3.75Å
72A97Very high90.8Very high0 Ų031 Ų310%019%0.188CC..EExtended strand (participates in β ladder)trans-131.5139.9161.400000111L83 G140 G437 A440 A441A72-L83 HydrophobicContact CB-CB 4.24Å; A72-L83 HydrophobicContact CB-CD1 4.26Å; A72-L83 PolarHBondContact N-O 3.22Å; A72-L83 PolarHBondContact O-N 3.46Å; A72-G140 CarbonylContact C-O 3.52Å; A72-G140 WeakPolarHBondContact CA-O 3.34Å; A72-G437 WeakPolarHBondContact CB-O 3.36Å; A72-A440 HydrophobicContact CB-CB 4.35Å; A72-A441 HydrophobicContact CB-CB 4.13Å
73L97.5Very high91.3Very high0 Ų030.8 Ų30.80%019%0.187CC..EExtended strand (participates in β ladder)trans-108.8133.2167.5-70.3-170.7000107.5Y80 R81 V82 I119 L123 L139 G140 F141 T142 L178L73-Y80 HydrophobicContact CB-CE2 4.24Å; L73-Y80 HydrophobicContact CD2-CE2 4.03Å; L73-Y80 WeakPolarHBondContact CD2-OH 3.3Å; L73-Y80 HydrophobicContact CG-CE2 4.49Å; L73-R81 WeakPolarHBondContact CA-O 3.45Å; L73-V82 HydrophobicContact CD2-CB 4.19Å; L73-V82 HydrophobicContact CD2-CG1 4.04Å; L73-V82 HydrophobicContact CD2-CG2 3.73Å; L73-I119 HydrophobicContact CD1-CG2 3.52Å; L73-L123 HydrophobicContact CD1-CD2 4.5Å; L73-L123 HydrophobicContact CD2-CD1 4.26Å; L73-L139 HydrophobicContact CB-CD1 4.3Å; L73-L139 HydrophobicContact CD1-CD2 3.93Å; L73-L139 HydrophobicContact CG-CD1 3.74Å; L73-L139 HydrophobicContact CG-CD2 4.07Å; L73-L139 HydrophobicContact CG-CG 4.46Å; L73-G140 PolarHBondContact N-O 2.68Å; L73-F141 HydrophobicContact CB-CD2 3.63Å; L73-F141 HydrophobicContact CB-CE2 4.14Å; L73-F141 HydrophobicContact CD1-CD2 4.5Å; L73-T142 WeakPolarHBondContact O-CA 3.29Å; L73-T142 PolarHBondContact O-N 3.05Å; L73-L178 HydrophobicContact CD1-CD1 3.99Å; L73-L178 HydrophobicContact CD1-CD2 3.95Å
74D95.7Very high91.8Very high9 Ų926.3 Ų26.35%0.04816%0.164CC..EExtended strand (participates in β ladder)trans-125.9102.2178.6178.436.7000110.7Y80 R81 L83 T142 S436D74-Y80 CarbonylContact O-C 3.59Å; D74-Y80 VanDerWaalsContact O-CA 3.26Å; D74-Y80 WeakPolarHBondContact O-CA 3.43Å; D74-Y80 WeakPolarHBondContact O-CD2 3.39Å; D74-R81 HydrophobicContact CB-CB 4.25Å; D74-R81 PolarHBondContact N-O 3.48Å; D74-R81 PolarHBondContact O-N 3.35Å; D74-R81 IonicContact OD2-CZ 3.22Å; D74-R81 IonicContact OD2-NE 3.52Å; D74-R81 PolarHBondContact OD2-NE 3.07Å; D74-R81 IonicContact OD2-NH2 2.78Å; D74-R81 PolarHBondContact OD2-NH2 3.46Å; D74-L83 HydrophobicContact CB-CD1 4.21Å; D74-T142 WeakPolarHBondContact OD1-CB 3.42Å; D74-T142 WeakPolarHBondContact OD1-CG2 3.49Å; D74-S436 PolarHBondContact OD1-OG 3.1Å; D74-S436 PolarHBondContact OD2-OG 3.03Å
75L94.6Very high92.3Very high0 Ų025.9 Ų25.90%016%0.16CC..EExtended strand (participates in β ladder)trans-100.793.5-179.1-179.565000110Y80 I103 I119 F141 T142 F143 S144 F145 F164L75-Y80 HydrophobicContact CB-CD2 4.31Å; L75-Y80 HydrophobicContact CD1-CD2 4.19Å; L75-Y80 HydrophobicContact CD1-CG 4.42Å; L75-I103 HydrophobicContact CD1-CD1 3.02Å; L75-I103 HydrophobicContact CD1-CG1 4.44Å; L75-I103 HydrophobicContact CG-CD1 4.49Å; L75-I119 HydrophobicContact CD1-CD1 4.48Å; L75-I119 HydrophobicContact CD2-CD1 4.01Å; L75-F141 HydrophobicContact CB-CE2 3.88Å; L75-F141 HydrophobicContact CB-CZ 4.41Å; L75-F141 HydrophobicContact CD2-CZ 4.23Å; L75-T142 PolarHBondContact N-O 3.42Å; L75-F143 HydrophobicContact CD2-CD2 3.74Å; L75-F143 HydrophobicContact CD2-CE2 3.59Å; L75-S144 VanDerWaalsContact O-CB 3.32Å; L75-S144 WeakPolarHBondContact O-CB 3.47Å; L75-S144 PolarHBondContact O-N 3.38Å; L75-S144 PolarHBondContact O-OG 3.3Å; L75-F145 HydrophobicContact CD2-CE2 4.13Å; L75-F145 HydrophobicContact CG-CE2 4.08Å; L75-F164 HydrophobicContact CD1-CZ 4.42Å
76G88.2Confident92.6Very high12 Ų1223.9 Ų23.912%0.12415%0.147CC..  trans-93.6-174.4175.200000113.7T78 N79G76-T78 VanDerWaalsContact C-N 3.29Å; G76-T78 PolarHBondContact O-N 2.95Å; G76-N79 PolarHBondContact N-O 3.11Å; G76-N79 VanDerWaalsContact N-O 3.09Å
77G81.1Confident92.8Very high12 Ų1224.1 Ų24.112%0.12415%0.148CC..SBendtrans-76-8.9178.900000115.5
78T79.9Confident92.7Very high83 Ų8322.3 Ų22.351%0.50913%0.134SC..SBendtrans-139.3-42.2-174.4-52.80000111.9G76 T220G76-T78 VanDerWaalsContact C-N 3.29Å; G76-T78 PolarHBondContact O-N 2.95Å; T78-T220 PolarHBondContact OG1-OG1 3.36Å
79N86Confident92.4Very high83 Ų8321 Ų2144%0.44412%0.12SC..  trans-115.9145.3-179.2-62.5-39.9000109.6G76 T100G76-N79 PolarHBondContact N-O 3.11Å; G76-N79 VanDerWaalsContact N-O 3.09Å; N79-T100 HydrophobicContact CB-CG2 4.01Å
80Y93.4Very high91.8Very high0 Ų026.3 Ų26.30%014%0.139CC..EExtended strand (participates in β ladder)trans-116.7134.4165.5161.8-111.6000109.1L73 D74 L75 V82 Y101 I103 I119 T122L73-Y80 HydrophobicContact CB-CE2 4.24Å; L73-Y80 HydrophobicContact CD2-CE2 4.03Å; L73-Y80 WeakPolarHBondContact CD2-OH 3.3Å; L73-Y80 HydrophobicContact CG-CE2 4.49Å; D74-Y80 CarbonylContact O-C 3.59Å; D74-Y80 VanDerWaalsContact O-CA 3.26Å; D74-Y80 WeakPolarHBondContact O-CA 3.43Å; D74-Y80 WeakPolarHBondContact O-CD2 3.39Å; L75-Y80 HydrophobicContact CB-CD2 4.31Å; L75-Y80 HydrophobicContact CD1-CD2 4.19Å; L75-Y80 HydrophobicContact CD1-CG 4.42Å; Y80-V82 HydrophobicContact CE1-CG2 3.99Å; Y80-V82 VanDerWaalsContact OH-CG2 3.3Å; Y80-V82 WeakPolarHBondContact OH-CG2 3.49Å; Y80-Y101 HydrophobicContact CD1-CD2 4.2Å; Y80-Y101 HydrophobicContact CD1-CG 4.36Å; Y80-Y101 HydrophobicContact CE1-CD2 4.03Å; Y80-Y101 HydrophobicContact CE1-CG 4.45Å; Y80-Y101 PolarHBondContact N-O 3.27Å; Y80-Y101 PolarHBondContact O-N 3.38Å; Y80-I103 HydrophobicContact CG-CD1 4.28Å; Y80-I103 HydrophobicContact CG-CG1 4.43Å; Y80-I119 HydrophobicContact CE2-CG1 4.3Å; Y80-I119 HydrophobicContact CE2-CG2 4.04Å; Y80-I119 WeakPolarHBondContact OH-CG2 3.14Å; Y80-I119 PolarHBondContact OH-O 3.19Å; Y80-T122 HydrophobicContact CE1-CG2 4.29Å; Y80-T122 WeakPolarHBondContact CE1-OG1 3.16Å; Y80-T122 PolarHBondContact OH-OG1 3.12Å
81R94.9Very high90.9Very high24 Ų2428.6 Ų28.69%0.09117%0.166CC..EExtended strand (participates in β ladder)trans-127.8144.4-175.3-54.3-175.4-74.6-173.7-7.9111.7L73 D74 L83 R99 T100 D434 S436L73-R81 WeakPolarHBondContact CA-O 3.45Å; D74-R81 HydrophobicContact CB-CB 4.25Å; D74-R81 PolarHBondContact N-O 3.48Å; D74-R81 PolarHBondContact O-N 3.35Å; D74-R81 IonicContact OD2-CZ 3.22Å; D74-R81 IonicContact OD2-NE 3.52Å; D74-R81 PolarHBondContact OD2-NE 3.07Å; D74-R81 IonicContact OD2-NH2 2.78Å; D74-R81 PolarHBondContact OD2-NH2 3.46Å; R81-L83 HydrophobicContact CB-CD1 3.88Å; R81-R99 WeakPolarHBondContact CA-O 3.47Å; R81-T100 HydrophobicContact CG-CG2 4.22Å; R81-D434 IonicContact CZ-OD1 3.33Å; R81-D434 IonicContact NH1-OD1 3.19Å; R81-D434 PolarHBondContact NH1-OD1 2.92Å; R81-S436 PolarHBondContact NH2-OG 3.1Å
82V96.9Very high90.1Very high0 Ų034.3 Ų34.30%019%0.191CC..EExtended strand (participates in β ladder)trans-111.9126.4167.7-176.30000107.6L73 Y80 E98 R99 Y101 L123 F126L73-V82 HydrophobicContact CD2-CB 4.19Å; L73-V82 HydrophobicContact CD2-CG1 4.04Å; L73-V82 HydrophobicContact CD2-CG2 3.73Å; Y80-V82 HydrophobicContact CE1-CG2 3.99Å; Y80-V82 VanDerWaalsContact OH-CG2 3.3Å; Y80-V82 WeakPolarHBondContact OH-CG2 3.49Å; V82-E98 CarbonylContact O-C 3.55Å; V82-E98 VanDerWaalsContact O-CA 3.26Å; V82-E98 WeakPolarHBondContact O-CA 3.26Å; V82-R99 PolarHBondContact N-O 3.23Å; V82-R99 PolarHBondContact O-N 3.1Å; V82-Y101 HydrophobicContact CB-CE2 4.11Å; V82-Y101 HydrophobicContact CG2-CD2 4.04Å; V82-Y101 HydrophobicContact CG2-CE2 3.57Å; V82-L123 HydrophobicContact CG1-CD1 3.52Å; V82-F126 HydrophobicContact CB-CB 4.27Å; V82-F126 HydrophobicContact CB-CD1 4.44Å; V82-F126 HydrophobicContact CB-CD2 4.19Å; V82-F126 HydrophobicContact CB-CG 4.05Å; V82-F126 HydrophobicContact CG1-CB 3.78Å; V82-F126 HydrophobicContact CG1-CD1 3.42Å; V82-F126 VanDerWaalsContact CG1-CD1 3.42Å; V82-F126 HydrophobicContact CG1-CD2 4.02Å; V82-F126 HydrophobicContact CG1-CE1 3.94Å; V82-F126 HydrophobicContact CG1-CE2 4.48Å; V82-F126 HydrophobicContact CG1-CG 3.46Å; V82-F126 VanDerWaalsContact CG1-CG 3.46Å; V82-F126 HydrophobicContact CG1-CZ 4.44Å
83L96.1Very high89.4Confident0 Ų038.7 Ų38.70%022%0.222CC..EExtended strand (participates in β ladder)trans-124.4140.1-179.8-53.790.5000110.2L71 A72 D74 R81 V85 I96 Q97 E98L71-L83 CarbonylContact C-O 3.54Å; L71-L83 VanDerWaalsContact CA-O 3.31Å; L71-L83 WeakPolarHBondContact CA-O 3.26Å; A72-L83 HydrophobicContact CB-CB 4.24Å; A72-L83 HydrophobicContact CB-CD1 4.26Å; A72-L83 PolarHBondContact N-O 3.22Å; A72-L83 PolarHBondContact O-N 3.46Å; D74-L83 HydrophobicContact CB-CD1 4.21Å; R81-L83 HydrophobicContact CB-CD1 3.88Å; L83-V85 HydrophobicContact CB-CG2 4.14Å; L83-I96 HydrophobicContact CD2-CG2 4.12Å; L83-Q97 CarbonylContact C-O 3.56Å; L83-Q97 WeakPolarHBondContact CA-O 3.34Å; L83-E98 HydrophobicContact CD2-CB 4.29Å; L83-E98 HydrophobicContact CG-CB 3.99Å
84S96.3Very high88.9Confident7 Ų740.1 Ų40.15%0.04923%0.231CC..EExtended strand (participates in β ladder)trans-109.5117.7160.5170.20000108I96 Q97S84-I96 WeakPolarHBondContact O-CA 3.16Å; S84-Q97 PolarHBondContact N-O 3.28Å; S84-Q97 PolarHBondContact O-N 2.76Å
85V94.5Very high88.6Confident0 Ų047.3 Ų47.30%026%0.258CS..EExtended strand (participates in β ladder)trans-114.3117.5-174.8-174.90000109.2F70 L83 L87 P94 R95 I96 A441F70-V85 PolarHBondContact N-O 2.92Å; F70-V85 PolarHBondContact O-N 3.49Å; L83-V85 HydrophobicContact CB-CG2 4.14Å; V85-L87 HydrophobicContact CG1-CD2 3.92Å; V85-L87 HydrophobicContact CG1-CG 4.31Å; V85-P94 HydrophobicContact CG1-CB 3.77Å; V85-R95 WeakPolarHBondContact CA-O 3.44Å; V85-I96 HydrophobicContact CG1-CG1 4.35Å; V85-I96 HydrophobicContact CG2-CG1 4.35Å; V85-A441 HydrophobicContact CB-CB 3.59Å; V85-A441 HydrophobicContact CG1-CB 3.97Å; V85-A441 HydrophobicContact CG2-CB 3.58Å
86T93.9Very high88.5Confident40 Ų4049.9 Ų49.925%0.24527%0.271CS..EExtended strand (participates in β ladder)trans-98.2114.2172-59.10000109.3G68 N69 P94 R95G68-T86 WeakPolarHBondContact O-CA 3.41Å; N69-T86 VanDerWaalsContact OD1-CB 3.31Å; N69-T86 WeakPolarHBondContact OD1-CB 3.49Å; N69-T86 WeakPolarHBondContact OD1-CG2 3.29Å; N69-T86 PolarHBondContact OD1-OG1 3.19Å; T86-P94 WeakPolarHBondContact O-CA 3.44Å; T86-R95 PolarHBondContact N-O 3.19Å; T86-R95 PolarHBondContact O-N 3.25Å
87L91.1Very high88.8Confident11 Ų1154 Ų546%0.05829%0.287CS..EExtended strand (participates in β ladder)trans-92.6119.8173.6-56.9173000108.3E66 T67 G68 F70 V85 P94 A445E66-L87 HydrophobicContact CB-CB 4.44Å; E66-L87 HydrophobicContact CB-CD1 3.66Å; E66-L87 WeakPolarHBondContact O-CB 3.3Å; T67-L87 CarbonylContact C-O 3.59Å; T67-L87 VanDerWaalsContact CA-O 3.23Å; T67-L87 WeakPolarHBondContact CA-O 3.38Å; G68-L87 PolarHBondContact N-O 3.48Å; G68-L87 PolarHBondContact O-N 2.83Å; F70-L87 HydrophobicContact CD2-CD1 3.95Å; F70-L87 HydrophobicContact CD2-CG 4.45Å; F70-L87 HydrophobicContact CE2-CD1 4.1Å; V85-L87 HydrophobicContact CG1-CD2 3.92Å; V85-L87 HydrophobicContact CG1-CG 4.31Å; L87-P94 HydrophobicContact CD2-CB 3.9Å; L87-P94 HydrophobicContact CD2-CG 3.71Å; L87-A445 HydrophobicContact CD1-CB 3.42Å; L87-A445 VanDerWaalsContact CD1-CB 3.42Å
88E89.6Confident89.4Confident58 Ų5857.6 Ų57.627%0.27130%0.3SS..EExtended strand (participates in β ladder)trans-93.1-6.6178.8-67.3-168.6-170.300113.3K92 R95E88-K92 HydrophobicContact CB-CB 4.21Å; E88-K92 HydrophobicContact CB-CD 3.88Å; E88-K92 WeakPolarHBondContact OE2-CD 3.4Å; E88-K92 IonicContact OE2-NZ 3.53Å; E88-K92 PolarHBondContact OE2-NZ 3.07Å; E88-R95 IonicContact OE1-CZ 3.34Å; E88-R95 IonicContact OE1-NE 3.97Å; E88-R95 PolarHBondContact OE1-NE 3.05Å; E88-R95 IonicContact OE1-NH2 2.72Å; E88-R95 PolarHBondContact OE1-NH2 3.05Å
89G85.8Confident90.1Very high5 Ų559 Ų595%0.05230%0.296CS..  trans63.9-166.3-171.900000113.2G64 E66 G91 K92G64-G89 CarbonylContact O-C 3.2Å; G64-G89 VanDerWaalsContact O-CA 3.27Å; G64-G89 WeakPolarHBondContact O-CA 3.36Å; E66-G89 WeakPolarHBondContact O-CA 3.37Å; E66-G89 PolarHBondContact O-N 3.49Å; G89-G91 PolarHBondContact O-N 3.17Å; G89-G91 VanDerWaalsContact O-N 3.16Å; G89-K92 WeakPolarHBondContact O-CB 3.39Å; G89-K92 PolarHBondContact O-N 2.95Å; G89-K92 VanDerWaalsContact O-N 3.08Å
90K82.9Confident90.5Very high196 Ų19658.4 Ų58.485%0.85230%0.295SS*.THydrogen-bonded Turntrans56.328.2178.9-53.5178.8-179.9179.30113.8G64 K92G64-K90 PolarHBondContact O-N 3.17Å; K90-K92 PolarHBondContact O-N 3.34Å
91G75.2Confident90.4Very high61 Ų6159.5 Ų59.563%0.62930%0.3SS*.THydrogen-bonded Turntrans6914.7-177.900000114.7G64 G89G64-G91 PolarHBondContact O-N 2.89Å; G89-G91 PolarHBondContact O-N 3.17Å; G89-G91 VanDerWaalsContact O-N 3.16Å
92K81.2Confident90.2Very high120 Ų12062.9 Ų62.952%0.52233%0.326SS..PPolyproline II helixtrans-75.1144174.1-69.9-177.9169.7-1770111.1E88 G89 K90E88-K92 HydrophobicContact CB-CB 4.21Å; E88-K92 HydrophobicContact CB-CD 3.88Å; E88-K92 WeakPolarHBondContact OE2-CD 3.4Å; E88-K92 IonicContact OE2-NZ 3.53Å; E88-K92 PolarHBondContact OE2-NZ 3.07Å; G89-K92 WeakPolarHBondContact O-CB 3.39Å; G89-K92 PolarHBondContact O-N 2.95Å; G89-K92 VanDerWaalsContact O-N 3.08Å; K90-K92 PolarHBondContact O-N 3.34Å
93S81.8Confident89.9Confident92 Ų9263.7 Ų63.764%0.64333%0.33SS*.PPolyproline II helixtrans-59.3137.3173-56.40000111.2
94P87.5Confident89.6Confident29 Ų2966 Ų6619%0.18835%0.345CS..PPolyproline II helixtrans-60.6144.9176.4-23.133.4000112.6V85 T86 L87 I96 L207V85-P94 HydrophobicContact CG1-CB 3.77Å; T86-P94 WeakPolarHBondContact O-CA 3.44Å; L87-P94 HydrophobicContact CD2-CB 3.9Å; L87-P94 HydrophobicContact CD2-CG 3.71Å; P94-I96 HydrophobicContact CB-CD1 4.44Å; P94-I96 HydrophobicContact CB-CG1 4.29Å; P94-L207 HydrophobicContact CG-CD1 4.41Å
95R90.8Very high89.3Confident161 Ų16168.7 Ų68.761%0.60837%0.368SS*.EExtended strand (participates in β ladder)trans-89.9135.4165.1-55.6-173.9-168.8-170.23.5109.4V85 T86 E88V85-R95 WeakPolarHBondContact CA-O 3.44Å; T86-R95 PolarHBondContact N-O 3.19Å; T86-R95 PolarHBondContact O-N 3.25Å; E88-R95 IonicContact OE1-CZ 3.34Å; E88-R95 IonicContact OE1-NE 3.97Å; E88-R95 PolarHBondContact OE1-NE 3.05Å; E88-R95 IonicContact OE1-NH2 2.72Å; E88-R95 PolarHBondContact OE1-NH2 3.05Å
96I92.4Very high89.2Confident54 Ų5474.9 Ų74.928%0.27740%0.397SS..EExtended strand (participates in β ladder)trans-131.7130.6-170.6-59.9166.3000109.3L83 S84 V85 P94 E98 K438L83-I96 HydrophobicContact CD2-CG2 4.12Å; S84-I96 WeakPolarHBondContact O-CA 3.16Å; V85-I96 HydrophobicContact CG1-CG1 4.35Å; V85-I96 HydrophobicContact CG2-CG1 4.35Å; P94-I96 HydrophobicContact CB-CD1 4.44Å; P94-I96 HydrophobicContact CB-CG1 4.29Å; I96-E98 HydrophobicContact CG2-CB 4.23Å; I96-K438 HydrophobicContact CD1-CD 3.47Å; I96-K438 VanDerWaalsContact CD1-CD 3.47Å; I96-K438 HydrophobicContact CD1-CG 3.41Å; I96-K438 VanDerWaalsContact CD1-CG 3.41Å
97Q93.4Very high89.2Confident99 Ų9975.2 Ų75.246%0.46340%0.395SS..EExtended strand (participates in β ladder)trans-111.7129.3160.9-64.4175.55.300106.6L83 S84 F126 N130L83-Q97 CarbonylContact C-O 3.56Å; L83-Q97 WeakPolarHBondContact CA-O 3.34Å; S84-Q97 PolarHBondContact N-O 3.28Å; S84-Q97 PolarHBondContact O-N 2.76Å; Q97-F126 HydrophobicContact CB-CZ 4.24Å; Q97-N130 PolarHBondContact OE1-OD1 3.43Å
98E94.2Very high89.2Confident86 Ų8676.6 Ų76.640%0.40240%0.402SS..EExtended strand (participates in β ladder)trans-137155.6-178.461.8172.6-142.300112V82 L83 I96V82-E98 CarbonylContact O-C 3.55Å; V82-E98 VanDerWaalsContact O-CA 3.26Å; V82-E98 WeakPolarHBondContact O-CA 3.26Å; L83-E98 HydrophobicContact CD2-CB 4.29Å; L83-E98 HydrophobicContact CG-CB 3.99Å; I96-E98 HydrophobicContact CG2-CB 4.23Å
99R94.9Very high89.3Confident113 Ų11377.3 Ų77.343%0.42641%0.413SS..EExtended strand (participates in β ladder)trans-141128.2169.9-172.3164.6175.1-172.73.5109.4R81 V82 Y101 F126 N129R81-R99 WeakPolarHBondContact CA-O 3.47Å; V82-R99 PolarHBondContact N-O 3.23Å; V82-R99 PolarHBondContact O-N 3.1Å; R99-Y101 HydrophobicContact CB-CE2 3.89Å; R99-Y101 WeakPolarHBondContact CD-OH 3.34Å; R99-Y101 HydrophobicContact CG-CD2 4.36Å; R99-Y101 HydrophobicContact CG-CE1 4.26Å; R99-Y101 HydrophobicContact CG-CE2 3.74Å; R99-Y101 WeakPolarHBondContact O-CD2 3.47Å; R99-F126 HydrophobicContact CB-CD2 3.79Å; R99-F126 HydrophobicContact CB-CE2 4.05Å; R99-N129 PolarHBondContact NH1-ND2 3.49Å
100T93.6Very high89.7Confident70 Ų7078 Ų7843%0.42942%0.42SS..EExtended strand (participates in β ladder)trans-93.2137175-58.10000109.9N79 R81N79-T100 HydrophobicContact CB-CG2 4.01Å; R81-T100 HydrophobicContact CG-CG2 4.22Å
101Y92.4Very high90.3Very high24 Ų2470 Ų709%0.09439%0.389CS..EExtended strand (participates in β ladder)trans-126.3145.3177.2-60.6-90.7000108.8Y80 V82 R99 T122Y80-Y101 HydrophobicContact CD1-CD2 4.2Å; Y80-Y101 HydrophobicContact CD1-CG 4.36Å; Y80-Y101 HydrophobicContact CE1-CD2 4.03Å; Y80-Y101 HydrophobicContact CE1-CG 4.45Å; Y80-Y101 PolarHBondContact N-O 3.27Å; Y80-Y101 PolarHBondContact O-N 3.38Å; V82-Y101 HydrophobicContact CB-CE2 4.11Å; V82-Y101 HydrophobicContact CG2-CD2 4.04Å; V82-Y101 HydrophobicContact CG2-CE2 3.57Å; R99-Y101 HydrophobicContact CB-CE2 3.89Å; R99-Y101 WeakPolarHBondContact CD-OH 3.34Å; R99-Y101 HydrophobicContact CG-CD2 4.36Å; R99-Y101 HydrophobicContact CG-CE1 4.26Å; R99-Y101 HydrophobicContact CG-CE2 3.74Å; R99-Y101 WeakPolarHBondContact O-CD2 3.47Å; Y101-T122 HydrophobicContact CD1-CG2 3.63Å; Y101-T122 HydrophobicContact CD2-CG2 4.36Å; Y101-T122 HydrophobicContact CE1-CG2 3.82Å; Y101-T122 HydrophobicContact CG-CG2 3.91Å; Y101-T122 PolarHBondContact OH-O 3.47Å
102C89.7Confident91.3Very high94 Ų9467.2 Ų67.264%0.63536%0.36SS*.PPolyproline II helixtrans-85.7141.1167-62.90000108.6Y118C102-Y118 PolarHBondContact O-OH 3.37Å
103I90.4Very high92Very high18 Ų1865.7 Ų65.79%0.09236%0.361CS..PPolyproline II helixtrans-89.4123.3168.8-62.9-179.8000107.5L75 Y80 K107 M108 L115 Y118 F164L75-I103 HydrophobicContact CD1-CD1 3.02Å; L75-I103 HydrophobicContact CD1-CG1 4.44Å; L75-I103 HydrophobicContact CG-CD1 4.49Å; Y80-I103 HydrophobicContact CG-CD1 4.28Å; Y80-I103 HydrophobicContact CG-CG1 4.43Å; I103-K107 HydrophobicContact CG2-CB 3.92Å; I103-M108 HydrophobicContact CB-CG 4.22Å; I103-M108 HydrophobicContact CG2-CG 3.65Å; I103-L115 HydrophobicContact CD1-CD1 4.16Å; I103-L115 HydrophobicContact CG2-CD1 3.94Å; I103-Y118 HydrophobicContact CG1-CD1 4.5Å; I103-Y118 HydrophobicContact CG1-CE1 4.13Å; I103-F164 HydrophobicContact CD1-CE1 4.38Å; I103-F164 HydrophobicContact CD1-CZ 4.17Å
104P91.1Very high92.7Very high48 Ų4865.3 Ų65.331%0.31235%0.349SS..PPolyproline II helixtrans-58.2142.9175-22.132.7000111.4E106 K107 M108 Y118P104-E106 WeakPolarHBondContact CB-OE2 3.19Å; P104-E106 PolarHBondContact O-N 2.87Å; P104-E106 VanDerWaalsContact O-N 3.17Å; P104-K107 HydrophobicContact CB-CG 4.17Å; P104-K107 HydrophobicContact CG-CG 4.22Å; P104-K107 WeakPolarHBondContact O-CA 3.39Å; P104-K107 WeakPolarHBondContact O-CB 3.41Å; P104-K107 PolarHBondContact O-N 2.71Å; P104-M108 PolarHBondContact O-N 3.48Å; P104-M108 VanDerWaalsContact O-N 3.15Å; P104-Y118 HydrophobicContact CG-CE2 4.48Å
105A89.1Confident93.2Very high64 Ų6464 Ų6453%0.52934%0.34SS..Hα-helixtrans-59.2-32-177.500000112.3K107 M108 S109A105-K107 PolarHBondContact O-N 3.23Å; A105-M108 PolarHBondContact O-N 3.27Å; A105-S109 PolarHBondContact O-N 3.33Å; A105-S109 PolarHBondContact O-OG 3.1Å
106E92.8Very high93.5Very high130 Ų13056.4 Ų56.461%0.60731%0.311SS*.Hα-helixtrans-65.4-26.9175.7-52.477.5-167.700111.9P104 G110P104-E106 WeakPolarHBondContact CB-OE2 3.19Å; P104-E106 PolarHBondContact O-N 2.87Å; P104-E106 VanDerWaalsContact O-N 3.17Å; E106-G110 WeakPolarHBondContact O-CA 3.47Å; E106-G110 PolarHBondContact O-N 3.17Å
107K93Very high93.7Very high47 Ų4758.4 Ų58.420%0.20432%0.318CS..Hα-helixtrans-87.6-25.7175.9-57-61.5169.4-164.80112.5I103 P104 A105 S109 E114 L115I103-K107 HydrophobicContact CG2-CB 3.92Å; P104-K107 HydrophobicContact CB-CG 4.17Å; P104-K107 HydrophobicContact CG-CG 4.22Å; P104-K107 WeakPolarHBondContact O-CA 3.39Å; P104-K107 WeakPolarHBondContact O-CB 3.41Å; P104-K107 PolarHBondContact O-N 2.71Å; A105-K107 PolarHBondContact O-N 3.23Å; K107-S109 VanDerWaalsContact C-N 3.31Å; K107-E114 HydrophobicContact CD-CB 3.77Å; K107-E114 IonicContact NZ-OE1 2.71Å; K107-E114 PolarHBondContact NZ-OE1 3.26Å; K107-E114 IonicContact NZ-OE2 2.74Å; K107-E114 PolarHBondContact NZ-OE2 3.06Å; K107-L115 HydrophobicContact CB-CD1 4.49Å
108M91.3Very high93.9Very high40 Ų4056 Ų5620%0.19731%0.305CS..Hα-helixtrans-70.5-29.3173-62.1174.169.400112.6I103 P104 A105 F164 S165 A166I103-M108 HydrophobicContact CB-CG 4.22Å; I103-M108 HydrophobicContact CG2-CG 3.65Å; P104-M108 PolarHBondContact O-N 3.48Å; P104-M108 VanDerWaalsContact O-N 3.15Å; A105-M108 PolarHBondContact O-N 3.27Å; M108-F164 HydrophobicContact CB-CD1 4.19Å; M108-F164 HydrophobicContact CB-CE1 4.23Å; M108-F164 HydrophobicContact CE-CD2 3.78Å; M108-F164 HydrophobicContact CE-CE2 3.49Å; M108-F164 VanDerWaalsContact CE-CE2 3.49Å; M108-F164 HydrophobicContact CE-CG 4.48Å; M108-F164 HydrophobicContact CE-CZ 3.95Å; M108-F164 HydrophobicContact CG-CD1 4.35Å; M108-F164 HydrophobicContact CG-CE1 3.91Å; M108-F164 HydrophobicContact CG-CE2 4.41Å; M108-F164 HydrophobicContact CG-CZ 3.94Å; M108-S165 PolarHBondContact O-N 2.76Å; M108-A166 PolarHBondContact O-N 3.36Å
109S91.9Very high94.1Very high72 Ų7251.9 Ų51.950%0.50329%0.286SS..Hα-helixtrans-121.4-0.1-174.658.20000114.7A105 K107 S165A105-S109 PolarHBondContact O-N 3.33Å; A105-S109 PolarHBondContact O-OG 3.1Å; K107-S109 VanDerWaalsContact C-N 3.31Å; S109-S165 WeakPolarHBondContact CB-OG 3.49Å
110G93.3Very high94.2Very high19 Ų1946.5 Ų46.520%0.19627%0.266CS..SBendtrans-88.1-141174.800000111.9E106 A166 D167E106-G110 WeakPolarHBondContact O-CA 3.47Å; E106-G110 PolarHBondContact O-N 3.17Å; G110-A166 CarbonylContact O-C 3.48Å; G110-A166 WeakPolarHBondContact O-CA 3.48Å; G110-D167 PolarHBondContact O-N 3.24Å; G110-D167 VanDerWaalsContact O-OD1 3.1Å
111S96.2Very high94.3Very high29 Ų2946 Ų4620%0.20326%0.258CS..BIsolated β-bridgetrans-90148.418078.90000113.6T113 E114 L115 D167S111-T113 VanDerWaalsContact C-N 3.26Å; S111-T113 PolarHBondContact O-N 3.35Å; S111-E114 PolarHBondContact O-N 3.45Å; S111-E114 VanDerWaalsContact O-N 3.08Å; S111-E114 WeakPolarHBondContact OG-CG 3.39Å; S111-E114 PolarHBondContact OG-N 3.19Å; S111-L115 PolarHBondContact O-N 3.15Å; S111-D167 WeakPolarHBondContact CA-OD1 3.44Å; S111-D167 WeakPolarHBondContact CB-OD1 3.4Å; S111-D167 PolarHBondContact N-OD1 2.83Å
112G95.9Very high94.5Very high3 Ų345.1 Ų45.13%0.03126%0.256CS..Hα-helixtrans-55.5-42.6173.100000112E114 L115 F116 D167G112-E114 VanDerWaalsContact C-N 3.28Å; G112-E114 PolarHBondContact O-N 3.04Å; G112-L115 WeakPolarHBondContact O-CB 3.45Å; G112-L115 PolarHBondContact O-N 3.09Å; G112-L115 VanDerWaalsContact O-N 3.15Å; G112-F116 WeakPolarHBondContact O-CD2 3.46Å; G112-F116 PolarHBondContact O-N 3.24Å; G112-D167 VanDerWaalsContact CA-O 3.31Å; G112-D167 WeakPolarHBondContact CA-O 3.42Å; G112-D167 PolarHBondContact N-O 3.27Å
113T96.6Very high94.9Very high87 Ų8740.6 Ų40.653%0.53423%0.225SC..Hα-helixtrans-56.7-43.4175.6-53.50000111.7S111 K117S111-T113 VanDerWaalsContact C-N 3.26Å; S111-T113 PolarHBondContact O-N 3.35Å; T113-K117 WeakPolarHBondContact O-CB 3.49Å; T113-K117 PolarHBondContact O-N 3.28Å
114E96.7Very high95.2Very high85 Ų8540.5 Ų40.540%0.39723%0.227SC..Hα-helixtrans-68.8-36.1177.9-72.4-164.9126.400113.1K107 S111 G112 Y118K107-E114 HydrophobicContact CD-CB 3.77Å; K107-E114 IonicContact NZ-OE1 2.71Å; K107-E114 PolarHBondContact NZ-OE1 3.26Å; K107-E114 IonicContact NZ-OE2 2.74Å; K107-E114 PolarHBondContact NZ-OE2 3.06Å; S111-E114 PolarHBondContact O-N 3.45Å; S111-E114 VanDerWaalsContact O-N 3.08Å; S111-E114 WeakPolarHBondContact OG-CG 3.39Å; S111-E114 PolarHBondContact OG-N 3.19Å; G112-E114 VanDerWaalsContact C-N 3.28Å; G112-E114 PolarHBondContact O-N 3.04Å; E114-Y118 WeakPolarHBondContact O-CB 3.43Å; E114-Y118 PolarHBondContact O-N 3.36Å
115L96.9Very high95.5Very high0 Ų041.6 Ų41.60%023%0.23CC..Hα-helixtrans-63.7-51.6174.9176.161.2000111.6I103 K107 S111 G112 K117 Y118 I119 W160 F164 A166I103-L115 HydrophobicContact CD1-CD1 4.16Å; I103-L115 HydrophobicContact CG2-CD1 3.94Å; K107-L115 HydrophobicContact CB-CD1 4.49Å; S111-L115 PolarHBondContact O-N 3.15Å; G112-L115 WeakPolarHBondContact O-CB 3.45Å; G112-L115 PolarHBondContact O-N 3.09Å; G112-L115 VanDerWaalsContact O-N 3.15Å; L115-K117 VanDerWaalsContact C-N 3.34Å; L115-K117 PolarHBondContact O-N 3.22Å; L115-Y118 WeakPolarHBondContact O-CB 3.37Å; L115-Y118 PolarHBondContact O-N 2.86Å; L115-I119 HydrophobicContact CD1-CD1 4.28Å; L115-I119 HydrophobicContact CG-CD1 4.21Å; L115-I119 WeakPolarHBondContact O-CG1 3.3Å; L115-I119 PolarHBondContact O-N 3.36Å; L115-W160 HydrophobicContact CD2-CH2 3.94Å; L115-W160 HydrophobicContact CD2-CZ2 4.25Å; L115-F164 HydrophobicContact CD1-CE1 4.44Å; L115-F164 HydrophobicContact CD2-CD1 4.36Å; L115-F164 HydrophobicContact CD2-CE1 4.31Å; L115-A166 HydrophobicContact CD2-CB 4.23Å
116F97.8Very high95.8Very high2 Ų238.8 Ų38.81%0.00921%0.206CC..Hα-helixtrans-69-32.8-179.8-75.5-78.1000112.4G112 I119 A120 F141 F143 V169 V174 L177 L178 E181G112-F116 WeakPolarHBondContact O-CD2 3.46Å; G112-F116 PolarHBondContact O-N 3.24Å; F116-I119 HydrophobicContact CD1-CD1 4.3Å; F116-I119 PolarHBondContact O-N 2.97Å; F116-A120 WeakPolarHBondContact O-CB 3.47Å; F116-A120 PolarHBondContact O-N 3.4Å; F116-F141 AromaticContact CE1-CE1 3.95Å; F116-F141 HydrophobicContact CE1-CE1 3.95Å; F116-F141 HydrophobicContact CE1-CZ 4.16Å; F116-F143 HydrophobicContact CZ-CE2 4.36Å; F116-V169 HydrophobicContact CD2-CG2 4.5Å; F116-V169 HydrophobicContact CE2-CG1 3.83Å; F116-V169 HydrophobicContact CE2-CG2 3.88Å; F116-V169 HydrophobicContact CZ-CG1 4.23Å; F116-V174 HydrophobicContact CZ-CB 4.1Å; F116-V174 HydrophobicContact CZ-CG1 4.35Å; F116-L177 HydrophobicContact CD1-CB 4.17Å; F116-L177 HydrophobicContact CD2-CB 3.74Å; F116-L177 HydrophobicContact CD2-CD1 4.1Å; F116-L177 HydrophobicContact CE1-CB 4.13Å; F116-L177 HydrophobicContact CE2-CB 3.75Å; F116-L177 HydrophobicContact CE2-CD1 3.54Å; F116-L177 HydrophobicContact CE2-CG 4.3Å; F116-L177 HydrophobicContact CG-CB 3.98Å; F116-L177 HydrophobicContact CZ-CB 3.94Å; F116-L177 HydrophobicContact CZ-CD1 4.07Å; F116-L178 HydrophobicContact CD1-CB 3.93Å; F116-L178 HydrophobicContact CD1-CD1 4.45Å; F116-L178 HydrophobicContact CE1-CB 4.13Å; F116-E181 HydrophobicContact CB-CG 3.87Å
117K97.5Very high96Very high97 Ų9732.7 Ų32.742%0.42218%0.178SC..Hα-helixtrans-60.1-46.7170.6176.3-179.3171-177.10111.1T113 L115 I119 A120 E121T113-K117 WeakPolarHBondContact O-CB 3.49Å; T113-K117 PolarHBondContact O-N 3.28Å; L115-K117 VanDerWaalsContact C-N 3.34Å; L115-K117 PolarHBondContact O-N 3.22Å; K117-I119 VanDerWaalsContact C-N 3.34Å; K117-I119 PolarHBondContact O-N 3.1Å; K117-A120 PolarHBondContact O-N 3.17Å; K117-E121 WeakPolarHBondContact CE-OE1 3.29Å; K117-E121 IonicContact NZ-OE1 3.2Å; K117-E121 WeakPolarHBondContact O-CB 3.43Å; K117-E121 WeakPolarHBondContact O-CG 3.4Å; K117-E121 PolarHBondContact O-N 3.45Å
118Y96.7Very high96.2Very high47 Ų4735.4 Ų35.418%0.18419%0.191CC..Hα-helixtrans-59.7-44.9177.1177.7-103.7000111.7C102 I103 P104 E114 L115 A120 E121 T122C102-Y118 PolarHBondContact O-OH 3.37Å; I103-Y118 HydrophobicContact CG1-CD1 4.5Å; I103-Y118 HydrophobicContact CG1-CE1 4.13Å; P104-Y118 HydrophobicContact CG-CE2 4.48Å; E114-Y118 WeakPolarHBondContact O-CB 3.43Å; E114-Y118 PolarHBondContact O-N 3.36Å; L115-Y118 WeakPolarHBondContact O-CB 3.37Å; L115-Y118 PolarHBondContact O-N 2.86Å; Y118-A120 VanDerWaalsContact C-N 3.34Å; Y118-A120 PolarHBondContact O-N 3.44Å; Y118-E121 WeakPolarHBondContact O-CB 3.16Å; Y118-E121 PolarHBondContact O-N 2.9Å; Y118-T122 HydrophobicContact CD1-CG2 4.49Å; Y118-T122 HydrophobicContact CE1-CG2 4.03Å; Y118-T122 HydrophobicContact CE2-CG2 4.07Å; Y118-T122 PolarHBondContact O-N 3.29Å; Y118-T122 PolarHBondContact O-OG1 3.45Å
119I97.4Very high96.4Very high0 Ų038.7 Ų38.70%021%0.21CC..Hα-helixtrans-58.6-45.3176-69.5169.8000111.2L73 L75 Y80 L115 F116 K117 T122 L123 L178L73-I119 HydrophobicContact CD1-CG2 3.52Å; L75-I119 HydrophobicContact CD1-CD1 4.48Å; L75-I119 HydrophobicContact CD2-CD1 4.01Å; Y80-I119 HydrophobicContact CE2-CG1 4.3Å; Y80-I119 HydrophobicContact CE2-CG2 4.04Å; Y80-I119 WeakPolarHBondContact OH-CG2 3.14Å; Y80-I119 PolarHBondContact OH-O 3.19Å; L115-I119 HydrophobicContact CD1-CD1 4.28Å; L115-I119 HydrophobicContact CG-CD1 4.21Å; L115-I119 WeakPolarHBondContact O-CG1 3.3Å; L115-I119 PolarHBondContact O-N 3.36Å; F116-I119 HydrophobicContact CD1-CD1 4.3Å; F116-I119 PolarHBondContact O-N 2.97Å; K117-I119 VanDerWaalsContact C-N 3.34Å; K117-I119 PolarHBondContact O-N 3.1Å; I119-T122 WeakPolarHBondContact CA-OG1 3.48Å; I119-T122 PolarHBondContact O-OG1 2.89Å; I119-L123 PolarHBondContact O-N 3.47Å; I119-L123 VanDerWaalsContact O-N 3.08Å; I119-L178 HydrophobicContact CG2-CD1 3.74Å
120A97.5Very high96.5Very high0 Ų038.5 Ų38.50%020%0.203CC..Hα-helixtrans-66.8-35.9177.300000112.6F116 K117 Y118 L123 A124 E181 L182F116-A120 WeakPolarHBondContact O-CB 3.47Å; F116-A120 PolarHBondContact O-N 3.4Å; K117-A120 PolarHBondContact O-N 3.17Å; Y118-A120 VanDerWaalsContact C-N 3.34Å; Y118-A120 PolarHBondContact O-N 3.44Å; A120-L123 PolarHBondContact O-N 3.4Å; A120-A124 WeakPolarHBondContact O-CB 3.36Å; A120-A124 PolarHBondContact O-N 3.07Å; A120-E181 HydrophobicContact CB-CB 3.77Å; A120-L182 HydrophobicContact CB-CD2 3.97Å
121E96.9Very high96.5Very high59 Ų5940.4 Ų40.428%0.27622%0.223SC..Hα-helixtrans-60.5-53173.8-80.1170172.600111.6K117 Y118 L123 A124 D125 R185K117-E121 WeakPolarHBondContact CE-OE1 3.29Å; K117-E121 IonicContact NZ-OE1 3.2Å; K117-E121 WeakPolarHBondContact O-CB 3.43Å; K117-E121 WeakPolarHBondContact O-CG 3.4Å; K117-E121 PolarHBondContact O-N 3.45Å; Y118-E121 WeakPolarHBondContact O-CB 3.16Å; Y118-E121 PolarHBondContact O-N 2.9Å; E121-L123 VanDerWaalsContact C-N 3.25Å; E121-L123 PolarHBondContact O-N 2.67Å; E121-A124 WeakPolarHBondContact O-CB 3.42Å; E121-A124 PolarHBondContact O-N 3.41Å; E121-A124 VanDerWaalsContact O-N 3.14Å; E121-D125 PolarHBondContact O-N 2.55Å; E121-R185 IonicContact OE1-NH1 2.71Å; E121-R185 PolarHBondContact OE1-NH1 3.28Å
122T96.7Very high96.4Very high6 Ų639.7 Ų39.74%0.03722%0.216CC..Hα-helixtrans-63.3-30.7178.944.70000113.5Y80 Y101 Y118 I119 F126Y80-T122 HydrophobicContact CE1-CG2 4.29Å; Y80-T122 WeakPolarHBondContact CE1-OG1 3.16Å; Y80-T122 PolarHBondContact OH-OG1 3.12Å; Y101-T122 HydrophobicContact CD1-CG2 3.63Å; Y101-T122 HydrophobicContact CD2-CG2 4.36Å; Y101-T122 HydrophobicContact CE1-CG2 3.82Å; Y101-T122 HydrophobicContact CG-CG2 3.91Å; Y101-T122 PolarHBondContact OH-O 3.47Å; Y118-T122 HydrophobicContact CD1-CG2 4.49Å; Y118-T122 HydrophobicContact CE1-CG2 4.03Å; Y118-T122 HydrophobicContact CE2-CG2 4.07Å; Y118-T122 PolarHBondContact O-N 3.29Å; Y118-T122 PolarHBondContact O-OG1 3.45Å; I119-T122 WeakPolarHBondContact CA-OG1 3.48Å; I119-T122 PolarHBondContact O-OG1 2.89Å; T122-F126 WeakPolarHBondContact O-CB 3.36Å; T122-F126 PolarHBondContact O-N 2.97Å
123L97.5Very high96.2Very high0 Ų044.7 Ų44.70%024%0.237CC..Hα-helixtrans-71.5-44.7173.4178.958.1000111.4L71 L73 V82 I119 A120 E121 D125 F126 L127 L139 L182 V189L71-L123 HydrophobicContact CD1-CD1 4.21Å; L73-L123 HydrophobicContact CD1-CD2 4.5Å; L73-L123 HydrophobicContact CD2-CD1 4.26Å; V82-L123 HydrophobicContact CG1-CD1 3.52Å; I119-L123 PolarHBondContact O-N 3.47Å; I119-L123 VanDerWaalsContact O-N 3.08Å; A120-L123 PolarHBondContact O-N 3.4Å; E121-L123 VanDerWaalsContact C-N 3.25Å; E121-L123 PolarHBondContact O-N 2.67Å; L123-D125 VanDerWaalsContact C-N 3.31Å; L123-D125 PolarHBondContact O-N 3.26Å; L123-F126 WeakPolarHBondContact O-CB 3.43Å; L123-F126 PolarHBondContact O-N 3.33Å; L123-L127 HydrophobicContact CD1-CD1 4.34Å; L123-L127 HydrophobicContact CD1-CG 4.19Å; L123-L127 HydrophobicContact CG-CD1 4.23Å; L123-L127 HydrophobicContact CG-CG 4.5Å; L123-L127 WeakPolarHBondContact O-CG 3.42Å; L123-L127 PolarHBondContact O-N 3.27Å; L123-L139 HydrophobicContact CD2-CD2 4.48Å; L123-L182 HydrophobicContact CD2-CD2 3.71Å; L123-V189 HydrophobicContact CD2-CG1 4.27Å
124A96.8Very high95.9Very high15 Ų1548 Ų4812%0.12425%0.251CS..Hα-helixtrans-56.7-47.7175.600000111.1A120 E121 F126 L127 E128 L187A120-A124 WeakPolarHBondContact O-CB 3.36Å; A120-A124 PolarHBondContact O-N 3.07Å; E121-A124 WeakPolarHBondContact O-CB 3.42Å; E121-A124 PolarHBondContact O-N 3.41Å; E121-A124 VanDerWaalsContact O-N 3.14Å; A124-F126 VanDerWaalsContact C-N 3.32Å; A124-F126 PolarHBondContact O-N 3.5Å; A124-L127 PolarHBondContact O-N 3.44Å; A124-E128 WeakPolarHBondContact O-CB 3.26Å; A124-E128 PolarHBondContact O-N 2.97Å; A124-L187 HydrophobicContact CB-CD1 4.12Å; A124-L187 HydrophobicContact CB-CD2 3.98Å
125D96.4Very high95.8Very high72 Ų7249.4 Ų49.439%0.38526%0.256SS..Hα-helixtrans-60.9-41.3177.5-69.8-6.4000111.5E121 L123 N129E121-D125 PolarHBondContact O-N 2.55Å; L123-D125 VanDerWaalsContact C-N 3.31Å; L123-D125 PolarHBondContact O-N 3.26Å; D125-N129 VanDerWaalsContact O-CB 3.3Å; D125-N129 WeakPolarHBondContact O-CB 3.47Å; D125-N129 VanDerWaalsContact O-CG 3.24Å; D125-N129 PolarHBondContact O-N 2.72Å; D125-N129 PolarHBondContact O-ND2 3.33Å
126F97Very high95.7Very high4 Ų456.3 Ų56.32%0.01829%0.287CS..Hα-helixtrans-63.3-43.7176.5178.8-93.7000112L71 V82 Q97 R99 T122 L123 A124 N130 M132L71-F126 HydrophobicContact CD2-CE1 4.43Å; V82-F126 HydrophobicContact CB-CB 4.27Å; V82-F126 HydrophobicContact CB-CD1 4.44Å; V82-F126 HydrophobicContact CB-CD2 4.19Å; V82-F126 HydrophobicContact CB-CG 4.05Å; V82-F126 HydrophobicContact CG1-CB 3.78Å; V82-F126 HydrophobicContact CG1-CD1 3.42Å; V82-F126 VanDerWaalsContact CG1-CD1 3.42Å; V82-F126 HydrophobicContact CG1-CD2 4.02Å; V82-F126 HydrophobicContact CG1-CE1 3.94Å; V82-F126 HydrophobicContact CG1-CE2 4.48Å; V82-F126 HydrophobicContact CG1-CG 3.46Å; V82-F126 VanDerWaalsContact CG1-CG 3.46Å; V82-F126 HydrophobicContact CG1-CZ 4.44Å; Q97-F126 HydrophobicContact CB-CZ 4.24Å; R99-F126 HydrophobicContact CB-CD2 3.79Å; R99-F126 HydrophobicContact CB-CE2 4.05Å; T122-F126 WeakPolarHBondContact O-CB 3.36Å; T122-F126 PolarHBondContact O-N 2.97Å; L123-F126 WeakPolarHBondContact O-CB 3.43Å; L123-F126 PolarHBondContact O-N 3.33Å; A124-F126 VanDerWaalsContact C-N 3.32Å; A124-F126 PolarHBondContact O-N 3.5Å; F126-N130 PolarHBondContact O-N 2.76Å; F126-N130 PolarHBondContact O-ND2 3.33Å; F126-M132 HydrophobicContact CD1-CE 4.22Å; F126-M132 HydrophobicContact CE1-CE 3.63Å; F126-M132 HydrophobicContact CZ-CE 4.35Å
127L97Very high95.6Very high2 Ų256.6 Ų56.61%0.0129%0.288CS..Hα-helixtrans-66.4-41.3178.9-68.1174.5000112.1L71 L123 A124 N130 G131 M132 K133 F137 L187 V189L71-L127 HydrophobicContact CD1-CD2 4Å; L71-L127 HydrophobicContact CD2-CD2 4.02Å; L123-L127 HydrophobicContact CD1-CD1 4.34Å; L123-L127 HydrophobicContact CD1-CG 4.19Å; L123-L127 HydrophobicContact CG-CD1 4.23Å; L123-L127 HydrophobicContact CG-CG 4.5Å; L123-L127 WeakPolarHBondContact O-CG 3.42Å; L123-L127 PolarHBondContact O-N 3.27Å; A124-L127 PolarHBondContact O-N 3.44Å; L127-N130 PolarHBondContact O-N 3.19Å; L127-G131 PolarHBondContact O-N 2.84Å; L127-M132 HydrophobicContact CB-CB 4.42Å; L127-M132 HydrophobicContact CD2-CB 3.81Å; L127-M132 HydrophobicContact CD2-CE 4.24Å; L127-M132 PolarHBondContact O-N 2.72Å; L127-K133 PolarHBondContact O-N 3.09Å; L127-F137 HydrophobicContact CD2-CD2 4.21Å; L127-F137 HydrophobicContact CD2-CE2 3.91Å; L127-L187 HydrophobicContact CD1-CD2 4.38Å; L127-V189 HydrophobicContact CD1-CG2 3.85Å
128E95.4Very high95.6Very high105 Ų10554 Ų5449%0.49128%0.278SS..Hα-helixtrans-64.7-48.8177.9-174.4158.6-112.600111.5A124 N130 G131 K133A124-E128 WeakPolarHBondContact O-CB 3.26Å; A124-E128 PolarHBondContact O-N 2.97Å; E128-N130 PolarHBondContact O-N 3.42Å; E128-N130 VanDerWaalsContact O-N 3.12Å; E128-G131 PolarHBondContact O-N 3.34Å; E128-G131 VanDerWaalsContact O-N 3.09Å; E128-K133 IonicContact OE1-NZ 3.94Å; E128-K133 PolarHBondContact OE1-NZ 3.19Å
129N95.7Very high95.6Very high109 Ų10951.7 Ų51.758%0.58327%0.269SS*.Hα-helixtrans-63.2-20.7-179.8-74.3-49.9000113.9R99 D125R99-N129 PolarHBondContact NH1-ND2 3.49Å; D125-N129 VanDerWaalsContact O-CB 3.3Å; D125-N129 WeakPolarHBondContact O-CB 3.47Å; D125-N129 VanDerWaalsContact O-CG 3.24Å; D125-N129 PolarHBondContact O-N 2.72Å; D125-N129 PolarHBondContact O-ND2 3.33Å
130N95Very high95.6Very high67 Ų6751.7 Ų51.736%0.35827%0.269SS..THydrogen-bonded Turntrans-106.99.1178.6-68.9-77000113.6Q97 F126 L127 E128 M132Q97-N130 PolarHBondContact OE1-OD1 3.43Å; F126-N130 PolarHBondContact O-N 2.76Å; F126-N130 PolarHBondContact O-ND2 3.33Å; L127-N130 PolarHBondContact O-N 3.19Å; E128-N130 PolarHBondContact O-N 3.42Å; E128-N130 VanDerWaalsContact O-N 3.12Å; N130-M132 VanDerWaalsContact C-N 3.33Å; N130-M132 HydrophobicContact CB-CE 3.49Å; N130-M132 VanDerWaalsContact CB-CE 3.49Å; N130-M132 HydrophobicContact CB-CG 4.13Å; N130-M132 HydrophobicContact CB-SD 4.48Å; N130-M132 WeakPolarHBondContact O-CG 3.47Å; N130-M132 PolarHBondContact O-N 3.06Å
131G93.7Very high95.6Very high60 Ų6051.7 Ų51.762%0.61927%0.269SS*.THydrogen-bonded Turntrans6436.8178.900000113.3L127 E128L127-G131 PolarHBondContact O-N 2.84Å; E128-G131 PolarHBondContact O-N 3.34Å; E128-G131 VanDerWaalsContact O-N 3.09Å
132M94.1Very high95.6Very high13 Ų1348.9 Ų48.96%0.06426%0.256CS..  trans-1172.7-174.7-62-162.8-76.400113.9F126 L127 N130 D134 K135 F137F126-M132 HydrophobicContact CD1-CE 4.22Å; F126-M132 HydrophobicContact CE1-CE 3.63Å; F126-M132 HydrophobicContact CZ-CE 4.35Å; L127-M132 HydrophobicContact CB-CB 4.42Å; L127-M132 HydrophobicContact CD2-CB 3.81Å; L127-M132 HydrophobicContact CD2-CE 4.24Å; L127-M132 PolarHBondContact O-N 2.72Å; N130-M132 VanDerWaalsContact C-N 3.33Å; N130-M132 HydrophobicContact CB-CE 3.49Å; N130-M132 VanDerWaalsContact CB-CE 3.49Å; N130-M132 HydrophobicContact CB-CG 4.13Å; N130-M132 HydrophobicContact CB-SD 4.48Å; N130-M132 WeakPolarHBondContact O-CG 3.47Å; N130-M132 PolarHBondContact O-N 3.06Å; M132-D134 VanDerWaalsContact C-N 3.3Å; M132-D134 PolarHBondContact O-N 3.47Å; M132-K135 HydrophobicContact CB-CD 4.48Å; M132-K135 HydrophobicContact CG-CD 4.48Å; M132-K135 WeakPolarHBondContact O-CB 3.27Å; M132-K135 PolarHBondContact O-N 3.37Å; M132-K135 VanDerWaalsContact O-N 3.1Å; M132-F137 HydrophobicContact CB-CE2 3.92Å; M132-F137 HydrophobicContact CB-CZ 4Å; M132-F137 HydrophobicContact CG-CZ 4.25Å; M132-F137 HydrophobicContact SD-CE1 4.41Å; M132-F137 HydrophobicContact SD-CE2 4.44Å; M132-F137 HydrophobicContact SD-CZ 3.68Å
133K91Very high95.6Very high108 Ų10848.8 Ų48.847%0.4726%0.255SS..THydrogen-bonded Turntrans-55.8-38.7-174.6-164.7176.3-172.2170.80114.1L127 E128 K135L127-K133 PolarHBondContact O-N 3.09Å; E128-K133 IonicContact OE1-NZ 3.94Å; E128-K133 PolarHBondContact OE1-NZ 3.19Å; K133-K135 VanDerWaalsContact C-N 3.34Å
134D90.5Very high95.4Very high156 Ų15648.9 Ų48.983%0.83426%0.256SS*.THydrogen-bonded Turntrans-86.9-1.3-177.2-53.7-50.7000114M132M132-D134 VanDerWaalsContact C-N 3.3Å; M132-D134 PolarHBondContact O-N 3.47Å
135K93.6Very high95.3Very high115 Ų11548.2 Ų48.250%0.525%0.25SS..SBendtrans-91.2146.1-176.7-65.3178.2-175.4170.60110.7M132 K133 F137M132-K135 HydrophobicContact CB-CD 4.48Å; M132-K135 HydrophobicContact CG-CD 4.48Å; M132-K135 WeakPolarHBondContact O-CB 3.27Å; M132-K135 PolarHBondContact O-N 3.37Å; M132-K135 VanDerWaalsContact O-N 3.1Å; K133-K135 VanDerWaalsContact C-N 3.34Å; K135-F137 HydrophobicContact CB-CD2 4.21Å; K135-F137 HydrophobicContact CB-CE2 3.47Å; K135-F137 VanDerWaalsContact CB-CE2 3.47Å; K135-F137 HydrophobicContact CB-CZ 3.81Å; K135-F137 HydrophobicContact CD-CE2 4.46Å; K135-F137 HydrophobicContact CD-CZ 4.05Å
136K95Very high95.2Very high146 Ų14645 Ų4564%0.63523%0.233SC*.  trans-83.3132.1171.4-175.7174.4177.3-176.60110.4N188K136-N188 VanDerWaalsContact CA-O 3.31Å; K136-N188 WeakPolarHBondContact CA-O 3.09Å; K136-N188 WeakPolarHBondContact CG-OD1 3.37Å
137F96.5Very high95.2Very high8 Ų845.1 Ų45.14%0.03524%0.235CC..EExtended strand (participates in β ladder)trans-131.3140.7174-65.2-83.9000112.5N69 L71 L127 M132 K135 N188 V189 K190N69-F137 HydrophobicContact CB-CD1 4.49Å; N69-F137 HydrophobicContact CB-CE1 4.06Å; L71-F137 HydrophobicContact CD1-CB 3.39Å; L71-F137 HydrophobicContact CD1-CD1 4.32Å; L71-F137 HydrophobicContact CD1-CD2 3.78Å; L71-F137 HydrophobicContact CD1-CG 3.59Å; L71-F137 HydrophobicContact CD2-CD1 4.46Å; L71-F137 HydrophobicContact CD2-CG 4.46Å; L71-F137 HydrophobicContact CG-CB 3.69Å; L71-F137 HydrophobicContact CG-CD1 3.93Å; L71-F137 HydrophobicContact CG-CD2 4.24Å; L71-F137 HydrophobicContact CG-CG 3.7Å; L127-F137 HydrophobicContact CD2-CD2 4.21Å; L127-F137 HydrophobicContact CD2-CE2 3.91Å; M132-F137 HydrophobicContact CB-CE2 3.92Å; M132-F137 HydrophobicContact CB-CZ 4Å; M132-F137 HydrophobicContact CG-CZ 4.25Å; M132-F137 HydrophobicContact SD-CE1 4.41Å; M132-F137 HydrophobicContact SD-CE2 4.44Å; M132-F137 HydrophobicContact SD-CZ 3.68Å; K135-F137 HydrophobicContact CB-CD2 4.21Å; K135-F137 HydrophobicContact CB-CE2 3.47Å; K135-F137 VanDerWaalsContact CB-CE2 3.47Å; K135-F137 HydrophobicContact CB-CZ 3.81Å; K135-F137 HydrophobicContact CD-CE2 4.46Å; K135-F137 HydrophobicContact CD-CZ 4.05Å; F137-N188 PolarHBondContact N-O 3.12Å; F137-V189 HydrophobicContact CB-CG2 4.44Å; F137-V189 WeakPolarHBondContact O-CA 3.49Å; F137-K190 PolarHBondContact O-N 2.81Å
138D96.9Very high95.2Very high41 Ų4148 Ų4822%0.21925%0.252CS..EExtended strand (participates in β ladder)trans-87.1138.8159-67.7-36.8000108.7F70 L71 V192 T448F70-D138 HydrophobicContact CD1-CB 4.05Å; F70-D138 HydrophobicContact CE1-CB 4.22Å; L71-D138 PolarHBondContact N-O 2.91Å; D138-V192 HydrophobicContact CB-CG1 3.93Å; D138-V192 HydrophobicContact CB-CG2 3.9Å; D138-T448 HydrophobicContact CB-CG2 4.14Å; D138-T448 WeakPolarHBondContact OD2-CG2 3.45Å
139L97.4Very high95.1Very high0 Ų043.6 Ų43.60%023%0.232CC..EExtended strand (participates in β ladder)trans-119.7127.4-171.2171.369000111.1L71 L73 L123 L178 L182 V189 K190 V192L71-L139 HydrophobicContact CB-CB 4.32Å; L71-L139 HydrophobicContact CB-CD1 3.49Å; L71-L139 VanDerWaalsContact CB-CD1 3.49Å; L71-L139 WeakPolarHBondContact O-CA 3.36Å; L73-L139 HydrophobicContact CB-CD1 4.3Å; L73-L139 HydrophobicContact CD1-CD2 3.93Å; L73-L139 HydrophobicContact CG-CD1 3.74Å; L73-L139 HydrophobicContact CG-CD2 4.07Å; L73-L139 HydrophobicContact CG-CG 4.46Å; L123-L139 HydrophobicContact CD2-CD2 4.48Å; L139-L178 HydrophobicContact CD2-CD2 3.88Å; L139-L182 HydrophobicContact CD2-CD1 4.16Å; L139-V189 HydrophobicContact CB-CG1 3.64Å; L139-V189 HydrophobicContact CD2-CG1 3.95Å; L139-V189 HydrophobicContact CG-CG1 4.33Å; L139-K190 WeakPolarHBondContact CB-O 3.22Å; L139-K190 PolarHBondContact N-O 3.27Å; L139-V192 WeakPolarHBondContact O-CG2 3.49Å; L139-V192 PolarHBondContact O-N 3.47Å
140G96.9Very high94.9Very high0 Ų045.5 Ų45.50%023%0.234CC..EExtended strand (participates in β ladder)trans-92.3126.916300000110.7L71 A72 L73 A193L71-G140 PolarHBondContact O-N 3.13Å; A72-G140 CarbonylContact C-O 3.52Å; A72-G140 WeakPolarHBondContact CA-O 3.34Å; L73-G140 PolarHBondContact N-O 2.68Å; G140-A193 CarbonylContact C-O 3Å
141F97.4Very high94.8Very high0 Ų043.1 Ų43.10%023%0.226CC..EExtended strand (participates in β ladder)trans-108.8105.1179.3-176.9-155.8000110.6L73 L75 F116 F143 V174 L178 A193 V194 V195L73-F141 HydrophobicContact CB-CD2 3.63Å; L73-F141 HydrophobicContact CB-CE2 4.14Å; L73-F141 HydrophobicContact CD1-CD2 4.5Å; L75-F141 HydrophobicContact CB-CE2 3.88Å; L75-F141 HydrophobicContact CB-CZ 4.41Å; L75-F141 HydrophobicContact CD2-CZ 4.23Å; F116-F141 AromaticContact CE1-CE1 3.95Å; F116-F141 HydrophobicContact CE1-CE1 3.95Å; F116-F141 HydrophobicContact CE1-CZ 4.16Å; F141-F143 HydrophobicContact CE1-CB 4.38Å; F141-F143 AromaticContact CE1-CD2 3.75Å; F141-F143 HydrophobicContact CE1-CD2 3.75Å; F141-F143 HydrophobicContact CE1-CE2 4.46Å; F141-F143 HydrophobicContact CE1-CG 4.41Å; F141-F143 HydrophobicContact CE2-CD2 4.2Å; F141-F143 HydrophobicContact CZ-CB 4.44Å; F141-F143 AromaticContact CZ-CD2 3.49Å; F141-F143 HydrophobicContact CZ-CD2 3.49Å; F141-F143 VanDerWaalsContact CZ-CD2 3.49Å; F141-F143 HydrophobicContact CZ-CE2 4.2Å; F141-F143 HydrophobicContact CZ-CG 4.41Å; F141-F143 PolarHBondContact O-N 3.39Å; F141-V174 HydrophobicContact CE1-CB 4.45Å; F141-V174 HydrophobicContact CE1-CG2 4.37Å; F141-L178 HydrophobicContact CB-CD2 4.13Å; F141-L178 HydrophobicContact CD1-CD2 3.56Å; F141-L178 HydrophobicContact CD2-CD2 4.41Å; F141-L178 HydrophobicContact CE1-CB 4.38Å; F141-L178 HydrophobicContact CE1-CD2 3.97Å; F141-L178 HydrophobicContact CG-CD2 3.79Å; F141-A193 PolarHBondContact N-O 3.39Å; F141-V194 HydrophobicContact CB-CG2 4.35Å; F141-V194 HydrophobicContact CD1-CG2 4.25Å; F141-V194 CarbonylContact O-C 3.57Å; F141-V194 VanDerWaalsContact O-CA 3.26Å; F141-V194 WeakPolarHBondContact O-CA 3.34Å; F141-V195 PolarHBondContact O-N 3.28Å
142T97Very high94.7Very high0 Ų042.2 Ų42.20%021%0.207CC..EExtended strand (participates in β ladder)trans-76.1112.1168.7-47.30000109.7L73 D74 L75 V195 D197 S436 A440L73-T142 WeakPolarHBondContact O-CA 3.29Å; L73-T142 PolarHBondContact O-N 3.05Å; D74-T142 WeakPolarHBondContact OD1-CB 3.42Å; D74-T142 WeakPolarHBondContact OD1-CG2 3.49Å; L75-T142 PolarHBondContact N-O 3.42Å; T142-V195 CarbonylContact C-O 3.56Å; T142-V195 VanDerWaalsContact CA-O 3.26Å; T142-V195 WeakPolarHBondContact CA-O 3.12Å; T142-V195 HydrophobicContact CG2-CG2 4.47Å; T142-D197 VanDerWaalsContact CG2-CA 3.44Å; T142-D197 HydrophobicContact CG2-CB 3.93Å; T142-S436 PolarHBondContact OG1-O 3.34Å; T142-S436 VanDerWaalsContact OG1-O 3.11Å; T142-A440 WeakPolarHBondContact OG1-CB 2.94Å
143F96.4Very high94.6Very high3 Ų344.9 Ų44.91%0.01322%0.224CC..EExtended strand (participates in β ladder)trans-118.899.4179.1-166.7-100.8000108.6L75 F116 F141 F145 L157 W160 V174 V194 V195L75-F143 HydrophobicContact CD2-CD2 3.74Å; L75-F143 HydrophobicContact CD2-CE2 3.59Å; F116-F143 HydrophobicContact CZ-CE2 4.36Å; F141-F143 HydrophobicContact CE1-CB 4.38Å; F141-F143 AromaticContact CE1-CD2 3.75Å; F141-F143 HydrophobicContact CE1-CD2 3.75Å; F141-F143 HydrophobicContact CE1-CE2 4.46Å; F141-F143 HydrophobicContact CE1-CG 4.41Å; F141-F143 HydrophobicContact CE2-CD2 4.2Å; F141-F143 HydrophobicContact CZ-CB 4.44Å; F141-F143 AromaticContact CZ-CD2 3.49Å; F141-F143 HydrophobicContact CZ-CD2 3.49Å; F141-F143 VanDerWaalsContact CZ-CD2 3.49Å; F141-F143 HydrophobicContact CZ-CE2 4.2Å; F141-F143 HydrophobicContact CZ-CG 4.41Å; F141-F143 PolarHBondContact O-N 3.39Å; F143-F145 HydrophobicContact CD1-CB 3.98Å; F143-F145 AromaticContact CD1-CD2 3.86Å; F143-F145 HydrophobicContact CD1-CD2 3.86Å; F143-F145 HydrophobicContact CD1-CG 4.43Å; F143-F145 HydrophobicContact CD2-CD2 4.17Å; F143-F145 HydrophobicContact CE1-CB 3.63Å; F143-F145 AromaticContact CE1-CD2 3.61Å; F143-F145 HydrophobicContact CE1-CD2 3.61Å; F143-F145 HydrophobicContact CE1-CG 4.02Å; F143-F145 AromaticContact CE2-CD2 3.94Å; F143-F145 HydrophobicContact CE2-CD2 3.94Å; F143-F145 HydrophobicContact CE2-CE2 4.33Å; F143-F145 HydrophobicContact CG-CD2 4.15Å; F143-F145 HydrophobicContact CZ-CB 4.37Å; F143-F145 AromaticContact CZ-CD2 3.65Å; F143-F145 HydrophobicContact CZ-CD2 3.65Å; F143-F145 HydrophobicContact CZ-CE2 4.36Å; F143-F145 HydrophobicContact CZ-CG 4.31Å; F143-F145 PolarHBondContact O-N 3.39Å; F143-L157 HydrophobicContact CE1-CB 4.46Å; F143-L157 HydrophobicContact CE1-CD1 3.86Å; F143-L157 HydrophobicContact CE1-CG 4.48Å; F143-L157 HydrophobicContact CZ-CD2 4.42Å; F143-W160 HydrophobicContact CE1-CZ3 4.39Å; F143-W160 HydrophobicContact CE2-CH2 4.16Å; F143-W160 HydrophobicContact CE2-CZ3 4.23Å; F143-W160 AromaticContact CZ-CH2 3.65Å; F143-W160 HydrophobicContact CZ-CH2 3.65Å; F143-W160 AromaticContact CZ-CZ3 3.58Å; F143-W160 HydrophobicContact CZ-CZ3 3.58Å; F143-V174 HydrophobicContact CD1-CG1 4.27Å; F143-V174 HydrophobicContact CD1-CG2 4.22Å; F143-V174 HydrophobicContact CD2-CG2 4.47Å; F143-V174 HydrophobicContact CE1-CG1 3.76Å; F143-V174 HydrophobicContact CE2-CB 4.44Å; F143-V174 HydrophobicContact CE2-CG1 4.2Å; F143-V174 HydrophobicContact CG-CG2 4.17Å; F143-V174 HydrophobicContact CZ-CB 4.43Å; F143-V174 HydrophobicContact CZ-CG1 3.73Å; F143-V194 HydrophobicContact CB-CG1 3.88Å; F143-V195 PolarHBondContact N-O 2.99Å
144S93.6Very high94.9Very high3 Ų342.6 Ų42.62%0.02122%0.215CC..  trans-70.914.7-169.3-68.40000116L75 K162 D197L75-S144 VanDerWaalsContact O-CB 3.32Å; L75-S144 WeakPolarHBondContact O-CB 3.47Å; L75-S144 PolarHBondContact O-N 3.38Å; L75-S144 PolarHBondContact O-OG 3.3Å; S144-K162 PolarHBondContact O-NZ 3.18Å; S144-D197 WeakPolarHBondContact CB-OD2 3.43Å; S144-D197 VanDerWaalsContact OG-CB 3.3Å; S144-D197 WeakPolarHBondContact OG-CB 3.43Å; S144-D197 PolarHBondContact OG-OD2 2.88Å
145F94.3Very high95.2Very high1 Ų135.2 Ų35.20%0.00418%0.175CC..SBendtrans-113.3158-173.8-52.4-90.1000111.3L75 F143 C147 L157 W160 T161 K162 F164L75-F145 HydrophobicContact CD2-CE2 4.13Å; L75-F145 HydrophobicContact CG-CE2 4.08Å; F143-F145 HydrophobicContact CD1-CB 3.98Å; F143-F145 AromaticContact CD1-CD2 3.86Å; F143-F145 HydrophobicContact CD1-CD2 3.86Å; F143-F145 HydrophobicContact CD1-CG 4.43Å; F143-F145 HydrophobicContact CD2-CD2 4.17Å; F143-F145 HydrophobicContact CE1-CB 3.63Å; F143-F145 AromaticContact CE1-CD2 3.61Å; F143-F145 HydrophobicContact CE1-CD2 3.61Å; F143-F145 HydrophobicContact CE1-CG 4.02Å; F143-F145 AromaticContact CE2-CD2 3.94Å; F143-F145 HydrophobicContact CE2-CD2 3.94Å; F143-F145 HydrophobicContact CE2-CE2 4.33Å; F143-F145 HydrophobicContact CG-CD2 4.15Å; F143-F145 HydrophobicContact CZ-CB 4.37Å; F143-F145 AromaticContact CZ-CD2 3.65Å; F143-F145 HydrophobicContact CZ-CD2 3.65Å; F143-F145 HydrophobicContact CZ-CE2 4.36Å; F143-F145 HydrophobicContact CZ-CG 4.31Å; F143-F145 PolarHBondContact O-N 3.39Å; F145-C147 PolarHBondContact O-N 2.84Å; F145-C147 VanDerWaalsContact O-N 3.15Å; F145-L157 HydrophobicContact CB-CD1 3.74Å; F145-W160 AromaticContact CD1-CE3 3.66Å; F145-W160 HydrophobicContact CD1-CE3 3.66Å; F145-W160 AromaticContact CD1-CZ3 3.98Å; F145-W160 HydrophobicContact CD1-CZ3 3.98Å; F145-W160 HydrophobicContact CD2-CE3 4.22Å; F145-W160 AromaticContact CD2-CZ3 3.69Å; F145-W160 HydrophobicContact CD2-CZ3 3.69Å; F145-W160 AromaticContact CE1-CE3 3.8Å; F145-W160 HydrophobicContact CE1-CE3 3.8Å; F145-W160 HydrophobicContact CE1-CZ3 4Å; F145-W160 HydrophobicContact CE2-CE3 4.36Å; F145-W160 AromaticContact CE2-CZ3 3.73Å; F145-W160 HydrophobicContact CE2-CZ3 3.73Å; F145-W160 AromaticContact CG-CE3 3.87Å; F145-W160 HydrophobicContact CG-CE3 3.87Å; F145-W160 AromaticContact CG-CZ3 3.82Å; F145-W160 HydrophobicContact CG-CZ3 3.82Å; F145-W160 HydrophobicContact CZ-CE3 4.16Å; F145-W160 AromaticContact CZ-CZ3 3.88Å; F145-W160 HydrophobicContact CZ-CZ3 3.88Å; F145-T161 WeakPolarHBondContact CD1-OG1 3.09Å; F145-T161 WeakPolarHBondContact CE1-O 3.09Å; F145-K162 HydrophobicContact CE1-CB 4.24Å; F145-K162 HydrophobicContact CE1-CD 4.34Å; F145-F164 HydrophobicContact CE1-CB 4.08Å; F145-F164 AromaticContact CE1-CD2 3.62Å; F145-F164 HydrophobicContact CE1-CD2 3.62Å; F145-F164 HydrophobicContact CE1-CE2 4.21Å; F145-F164 AromaticContact CE1-CG 3.88Å; F145-F164 HydrophobicContact CE1-CG 3.88Å; F145-F164 HydrophobicContact CZ-CB 4.41Å; F145-F164 HydrophobicContact CZ-CD1 4.17Å; F145-F164 AromaticContact CZ-CD2 3.47Å; F145-F164 HydrophobicContact CZ-CD2 3.47Å; F145-F164 VanDerWaalsContact CZ-CD2 3.47Å; F145-F164 HydrophobicContact CZ-CE1 4.31Å; F145-F164 AromaticContact CZ-CE2 3.64Å; F145-F164 HydrophobicContact CZ-CE2 3.64Å; F145-F164 AromaticContact CZ-CG 3.75Å; F145-F164 HydrophobicContact CZ-CG 3.75Å; F145-F164 HydrophobicContact CZ-CZ 4.06Å
146P94.8Very high95.4Very high4 Ų431.3 Ų31.33%0.02616%0.161CC..  trans-63.4116-177.1-17.828.7000111.9F54 L157 V158 T161 E249F54-P146 HydrophobicContact CE2-CB 4.24Å; P146-L157 WeakPolarHBondContact O-CD1 3.38Å; P146-V158 HydrophobicContact CB-CB 4.41Å; P146-V158 PolarHBondContact O-N 3.29Å; P146-T161 HydrophobicContact CG-CG2 3.89Å; P146-E249 WeakPolarHBondContact CA-OE1 3.36Å; P146-E249 HydrophobicContact CB-CG 4.09Å; P146-E249 WeakPolarHBondContact CG-OE2 3.29Å
147C96.9Very high95.5Very high7 Ų724.4 Ų24.45%0.04713%0.131CC..EExtended strand (participates in β ladder)trans-122.9137.4177.3-730000111.4F145 A155 T156F145-C147 PolarHBondContact O-N 2.84Å; F145-C147 VanDerWaalsContact O-N 3.15Å; C147-A155 HydrophobicContact CB-CB 4.12Å; C147-T156 CarbonylContact C-O 3.53Å; C147-T156 WeakPolarHBondContact CA-O 3.44Å
148V96.2Very high95.5Very high61 Ų6126.9 Ų26.937%0.3715%0.147SC..EExtended strand (participates in β ladder)trans-83.5119161.1174.60000107.4F54 T156 V158F54-V148 HydrophobicContact CD1-CG2 4.05Å; F54-V148 HydrophobicContact CE1-CG2 3.62Å; F54-V148 HydrophobicContact CZ-CG2 4.08Å; V148-T156 PolarHBondContact N-O 2.95Å; V148-T156 PolarHBondContact O-N 3.23Å; V148-V158 HydrophobicContact CB-CG2 4.48Å; V148-V158 HydrophobicContact CG2-CG2 3.68Å
149Q94.3Very high95.3Very high14 Ų1427.6 Ų27.67%0.06515%0.146CC..EExtended strand (participates in β ladder)trans-97.2144.8176.2-63-173.4-11600110.6S56 Y57 G151 H154 A155 V194S56-Q149 PolarHBondContact O-NE2 2.87Å; Y57-Q149 HydrophobicContact CD2-CB 3.82Å; Y57-Q149 HydrophobicContact CE2-CB 4.13Å; Y57-Q149 WeakPolarHBondContact CE2-O 3.32Å; Q149-G151 PolarHBondContact NE2-O 3.15Å; Q149-H154 CarbonylContact C-O 3.53Å; Q149-H154 VanDerWaalsContact CA-O 3.24Å; Q149-H154 WeakPolarHBondContact CA-O 3.46Å; Q149-A155 HydrophobicContact CG-CB 3.94Å; Q149-V194 PolarHBondContact NE2-O 3.02Å; Q149-V194 VanDerWaalsContact NE2-O 3.1Å
150K92Very high95.1Very high148 Ų14827.9 Ų27.964%0.64315%0.147SC*.EExtended strand (participates in β ladder)trans-116.57.4164.9-60.9-179.2-179.5169.90112.1Y57 H154Y57-K150 VanDerWaalsContact CZ-C 3.49Å; K150-H154 HydrophobicContact CB-CB 4.48Å; K150-H154 PolarHBondContact N-O 2.86Å
151G92Very high94.7Very high17 Ų1728.1 Ų28.118%0.17515%0.149CC..EExtended strand (participates in β ladder)trans162.9175.6-172.600000109.5Q149 T153 H154Q149-G151 PolarHBondContact NE2-O 3.15Å; G151-T153 VanDerWaalsContact C-N 3.35Å; G151-T153 PolarHBondContact O-N 3.2Å; G151-H154 PolarHBondContact O-N 2.88Å
152L91.4Very high94.1Very high41 Ų4128.8 Ų28.822%0.21515%0.152CC..THydrogen-bonded Turntrans-68.2-32.7-175.6-68.3161.3000113V58 A193 V194 I443 C447V58-L152 HydrophobicContact CG2-CD2 3.9Å; L152-A193 HydrophobicContact CB-CB 4.44Å; L152-A193 CarbonylContact O-C 3.3Å; L152-A193 WeakPolarHBondContact O-CA 3.48Å; L152-V194 PolarHBondContact O-N 2.87Å; L152-I443 HydrophobicContact CD2-CG2 4.42Å; L152-C447 HydrophobicContact CD1-CB 4.09Å; L152-C447 WeakPolarHBondContact CD1-SG 3.35Å
153T93.7Very high93.5Very high70 Ų7029.9 Ų29.943%0.42916%0.163SC..THydrogen-bonded Turntrans-103.510.4178.856.20000113.3G151 N173 A175 C191 V192G151-T153 VanDerWaalsContact C-N 3.35Å; G151-T153 PolarHBondContact O-N 3.2Å; T153-N173 PolarHBondContact O-ND2 2.76Å; T153-N173 PolarHBondContact O-OD1 3.21Å; T153-A175 WeakPolarHBondContact O-CB 3.36Å; T153-C191 WeakPolarHBondContact CG2-O 3.38Å; T153-V192 VanDerWaalsContact CG2-C 3.44Å; T153-V192 WeakPolarHBondContact CG2-O 3.27Å
154H95.5Very high93.2Very high60 Ų6029.9 Ų29.928%0.27816%0.163SC..EExtended strand (participates in β ladder)trans-127.887.5179.6-164.585.6000109.7Q149 K150 G151 N173 E176Q149-H154 CarbonylContact C-O 3.53Å; Q149-H154 VanDerWaalsContact CA-O 3.24Å; Q149-H154 WeakPolarHBondContact CA-O 3.46Å; K150-H154 HydrophobicContact CB-CB 4.48Å; K150-H154 PolarHBondContact N-O 2.86Å; G151-H154 PolarHBondContact O-N 2.88Å; H154-N173 PolarHBondContact ND1-ND2 3.27Å; H154-E176 IonicContact ND1-OE1 2.79Å
155A97Very high93.2Very high0 Ų032.3 Ų32.30%018%0.18CC..EExtended strand (participates in β ladder)trans-122.6103.6-176.800000109.1C147 Q149 N173 V174 V194C147-A155 HydrophobicContact CB-CB 4.12Å; Q149-A155 HydrophobicContact CG-CB 3.94Å; A155-N173 PolarHBondContact N-OD1 3.44Å; A155-N173 WeakPolarHBondContact O-CA 3.35Å; A155-N173 PolarHBondContact O-OD1 3.31Å; A155-V174 HydrophobicContact CB-CG2 4.05Å; A155-V174 PolarHBondContact O-N 2.85Å; A155-V194 HydrophobicContact CB-CB 3.81Å; A155-V194 HydrophobicContact CB-CG1 3.68Å; A155-V194 HydrophobicContact CB-CG2 4.3Å
156T98.1Very high93.2Very high33 Ų3332.3 Ų32.320%0.20218%0.18CC..EExtended strand (participates in β ladder)trans-89.7119.8-179.6-570000109.9C147 V148 V158 G171 H172C147-T156 CarbonylContact C-O 3.53Å; C147-T156 WeakPolarHBondContact CA-O 3.44Å; V148-T156 PolarHBondContact N-O 2.95Å; V148-T156 PolarHBondContact O-N 3.23Å; T156-V158 PolarHBondContact O-N 3.34Å; T156-G171 WeakPolarHBondContact CG2-O 3.46Å; T156-H172 WeakPolarHBondContact CA-O 3.42Å
157L97.9Very high93.3Very high1 Ų137 Ų371%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-63.1126.3176.3176.560000110.1F143 F145 P146 R159 W160 V169 E170 G171 H172 V174F143-L157 HydrophobicContact CE1-CB 4.46Å; F143-L157 HydrophobicContact CE1-CD1 3.86Å; F143-L157 HydrophobicContact CE1-CG 4.48Å; F143-L157 HydrophobicContact CZ-CD2 4.42Å; F145-L157 HydrophobicContact CB-CD1 3.74Å; P146-L157 WeakPolarHBondContact O-CD1 3.38Å; L157-R159 VanDerWaalsContact CD1-O 3.27Å; L157-R159 WeakPolarHBondContact CD1-O 3.4Å; L157-W160 HydrophobicContact CD2-CD2 3.58Å; L157-W160 VanDerWaalsContact CD2-CE2 3.48Å; L157-W160 HydrophobicContact CD2-CE3 3.82Å; L157-W160 HydrophobicContact CD2-CG 4.18Å; L157-W160 HydrophobicContact CD2-CH2 3.97Å; L157-W160 HydrophobicContact CD2-CZ2 3.73Å; L157-W160 HydrophobicContact CD2-CZ3 4Å; L157-V169 HydrophobicContact CB-CG1 4.39Å; L157-V169 HydrophobicContact CD2-CB 4.05Å; L157-V169 HydrophobicContact CD2-CG1 3.6Å; L157-E170 HydrophobicContact CD2-CG 3.97Å; L157-E170 HydrophobicContact CG-CG 4.32Å; L157-G171 PolarHBondContact O-N 2.98Å; L157-H172 PolarHBondContact N-O 3.29Å; L157-V174 HydrophobicContact CB-CG1 4.09Å
158V95.6Very high93.2Very high60 Ų6038.9 Ų38.936%0.36423%0.226SC..  trans-80.3-49.9177.9178.90000110.7F54 P146 V148 T156F54-V158 HydrophobicContact CE2-CG2 4.26Å; F54-V158 HydrophobicContact CZ-CG2 4.02Å; P146-V158 HydrophobicContact CB-CB 4.41Å; P146-V158 PolarHBondContact O-N 3.29Å; V148-V158 HydrophobicContact CB-CG2 4.48Å; V148-V158 HydrophobicContact CG2-CG2 3.68Å; T156-V158 PolarHBondContact O-N 3.34Å
159R93.9Very high93.3Very high56 Ų5636 Ų3621%0.21121%0.209CC..  trans-163.9152.118056.9-177.8145.1164.3-2.5110.6L157 E170 E255L157-R159 VanDerWaalsContact CD1-O 3.27Å; L157-R159 WeakPolarHBondContact CD1-O 3.4Å; R159-E170 VanDerWaalsContact CA-OE1 3.24Å; R159-E170 WeakPolarHBondContact CA-OE1 3.46Å; R159-E255 IonicContact CZ-OE1 2.68Å; R159-E255 IonicContact NH1-OE1 2.72Å; R159-E255 PolarHBondContact NH1-OE1 3.13Å; R159-E255 IonicContact NH1-OE2 3.44Å; R159-E255 PolarHBondContact NH1-OE2 3.26Å; R159-E255 IonicContact NH2-OE1 3.49Å; R159-E255 IonicContact NH2-OE2 2.84Å
160W92.9Very high93.4Very high7 Ų739.8 Ų39.83%0.02723%0.226CC..  trans-69.7152.4169.7-70.2117.2000112.7L115 F143 F145 L157 F164 A166 V169 E170L115-W160 HydrophobicContact CD2-CH2 3.94Å; L115-W160 HydrophobicContact CD2-CZ2 4.25Å; F143-W160 HydrophobicContact CE1-CZ3 4.39Å; F143-W160 HydrophobicContact CE2-CH2 4.16Å; F143-W160 HydrophobicContact CE2-CZ3 4.23Å; F143-W160 AromaticContact CZ-CH2 3.65Å; F143-W160 HydrophobicContact CZ-CH2 3.65Å; F143-W160 AromaticContact CZ-CZ3 3.58Å; F143-W160 HydrophobicContact CZ-CZ3 3.58Å; F145-W160 AromaticContact CD1-CE3 3.66Å; F145-W160 HydrophobicContact CD1-CE3 3.66Å; F145-W160 AromaticContact CD1-CZ3 3.98Å; F145-W160 HydrophobicContact CD1-CZ3 3.98Å; F145-W160 HydrophobicContact CD2-CE3 4.22Å; F145-W160 AromaticContact CD2-CZ3 3.69Å; F145-W160 HydrophobicContact CD2-CZ3 3.69Å; F145-W160 AromaticContact CE1-CE3 3.8Å; F145-W160 HydrophobicContact CE1-CE3 3.8Å; F145-W160 HydrophobicContact CE1-CZ3 4Å; F145-W160 HydrophobicContact CE2-CE3 4.36Å; F145-W160 AromaticContact CE2-CZ3 3.73Å; F145-W160 HydrophobicContact CE2-CZ3 3.73Å; F145-W160 AromaticContact CG-CE3 3.87Å; F145-W160 HydrophobicContact CG-CE3 3.87Å; F145-W160 AromaticContact CG-CZ3 3.82Å; F145-W160 HydrophobicContact CG-CZ3 3.82Å; F145-W160 HydrophobicContact CZ-CE3 4.16Å; F145-W160 AromaticContact CZ-CZ3 3.88Å; F145-W160 HydrophobicContact CZ-CZ3 3.88Å; L157-W160 HydrophobicContact CD2-CD2 3.58Å; L157-W160 VanDerWaalsContact CD2-CE2 3.48Å; L157-W160 HydrophobicContact CD2-CE3 3.82Å; L157-W160 HydrophobicContact CD2-CG 4.18Å; L157-W160 HydrophobicContact CD2-CH2 3.97Å; L157-W160 HydrophobicContact CD2-CZ2 3.73Å; L157-W160 HydrophobicContact CD2-CZ3 4Å; W160-F164 HydrophobicContact CB-CB 4.12Å; W160-F164 WeakPolarHBondContact CB-O 3.29Å; W160-F164 HydrophobicContact CD2-CB 3.7Å; W160-F164 HydrophobicContact CE3-CB 3.48Å; W160-F164 VanDerWaalsContact CE3-CB 3.48Å; W160-F164 HydrophobicContact CE3-CD1 4.34Å; W160-F164 HydrophobicContact CE3-CG 4.11Å; W160-F164 HydrophobicContact CG-CB 4.02Å; W160-F164 HydrophobicContact CH2-CD1 4.36Å; W160-F164 HydrophobicContact CZ3-CB 4.08Å; W160-F164 HydrophobicContact CZ3-CD1 4.07Å; W160-F164 HydrophobicContact CZ3-CG 4.25Å; W160-A166 HydrophobicContact CZ2-CB 4Å; W160-A166 PolarHBondContact NE1-O 3.02Å; W160-V169 HydrophobicContact CH2-CB 4.35Å; W160-V169 HydrophobicContact CH2-CG1 3.93Å; W160-V169 HydrophobicContact CZ2-CB 3.45Å; W160-V169 VanDerWaalsContact CZ2-CB 3.45Å; W160-V169 HydrophobicContact CZ2-CG1 3.52Å; W160-V169 HydrophobicContact CZ2-CG2 3.68Å; W160-E170 HydrophobicContact CG-CG 4.46Å; W160-E170 PolarHBondContact N-OE1 3.49Å
161T88.5Confident93.7Very high5 Ų535.4 Ų35.43%0.03122%0.223CC..  trans-140.5-175.1172.366.70000108.4F145 P146 G163 F164 Q280F145-T161 WeakPolarHBondContact CD1-OG1 3.09Å; F145-T161 WeakPolarHBondContact CE1-O 3.09Å; P146-T161 HydrophobicContact CG-CG2 3.89Å; T161-G163 PolarHBondContact O-N 3.22Å; T161-F164 PolarHBondContact O-N 3.29Å; T161-F164 VanDerWaalsContact O-N 3.08Å; T161-Q280 HydrophobicContact CG2-CG 4.09Å
162K85.4Confident94Very high13 Ų1339.2 Ų39.26%0.05724%0.236CC..THydrogen-bonded Turntrans55.826.2172-58.8164-179.51710114.4S144 F145 D197S144-K162 PolarHBondContact O-NZ 3.18Å; F145-K162 HydrophobicContact CE1-CB 4.24Å; F145-K162 HydrophobicContact CE1-CD 4.34Å; K162-D197 IonicContact NZ-OD2 3.42Å; K162-D197 PolarHBondContact NZ-OD2 3.22Å
163G83.2Confident94.3Very high24 Ų2437.8 Ų37.825%0.24723%0.229CC..THydrogen-bonded Turntrans84.50.4178.200000115.9T161T161-G163 PolarHBondContact O-N 3.22Å
164F91Very high94.5Very high2 Ų234.4 Ų34.41%0.00921%0.208CC..  trans-73.7150.4171.1-78-108.1000110.6L75 I103 M108 L115 F145 W160 T161L75-F164 HydrophobicContact CD1-CZ 4.42Å; I103-F164 HydrophobicContact CD1-CE1 4.38Å; I103-F164 HydrophobicContact CD1-CZ 4.17Å; M108-F164 HydrophobicContact CB-CD1 4.19Å; M108-F164 HydrophobicContact CB-CE1 4.23Å; M108-F164 HydrophobicContact CE-CD2 3.78Å; M108-F164 HydrophobicContact CE-CE2 3.49Å; M108-F164 VanDerWaalsContact CE-CE2 3.49Å; M108-F164 HydrophobicContact CE-CG 4.48Å; M108-F164 HydrophobicContact CE-CZ 3.95Å; M108-F164 HydrophobicContact CG-CD1 4.35Å; M108-F164 HydrophobicContact CG-CE1 3.91Å; M108-F164 HydrophobicContact CG-CE2 4.41Å; M108-F164 HydrophobicContact CG-CZ 3.94Å; L115-F164 HydrophobicContact CD1-CE1 4.44Å; L115-F164 HydrophobicContact CD2-CD1 4.36Å; L115-F164 HydrophobicContact CD2-CE1 4.31Å; F145-F164 HydrophobicContact CE1-CB 4.08Å; F145-F164 AromaticContact CE1-CD2 3.62Å; F145-F164 HydrophobicContact CE1-CD2 3.62Å; F145-F164 HydrophobicContact CE1-CE2 4.21Å; F145-F164 AromaticContact CE1-CG 3.88Å; F145-F164 HydrophobicContact CE1-CG 3.88Å; F145-F164 HydrophobicContact CZ-CB 4.41Å; F145-F164 HydrophobicContact CZ-CD1 4.17Å; F145-F164 AromaticContact CZ-CD2 3.47Å; F145-F164 HydrophobicContact CZ-CD2 3.47Å; F145-F164 VanDerWaalsContact CZ-CD2 3.47Å; F145-F164 HydrophobicContact CZ-CE1 4.31Å; F145-F164 AromaticContact CZ-CE2 3.64Å; F145-F164 HydrophobicContact CZ-CE2 3.64Å; F145-F164 AromaticContact CZ-CG 3.75Å; F145-F164 HydrophobicContact CZ-CG 3.75Å; F145-F164 HydrophobicContact CZ-CZ 4.06Å; W160-F164 HydrophobicContact CB-CB 4.12Å; W160-F164 WeakPolarHBondContact CB-O 3.29Å; W160-F164 HydrophobicContact CD2-CB 3.7Å; W160-F164 HydrophobicContact CE3-CB 3.48Å; W160-F164 VanDerWaalsContact CE3-CB 3.48Å; W160-F164 HydrophobicContact CE3-CD1 4.34Å; W160-F164 HydrophobicContact CE3-CG 4.11Å; W160-F164 HydrophobicContact CG-CB 4.02Å; W160-F164 HydrophobicContact CH2-CD1 4.36Å; W160-F164 HydrophobicContact CZ3-CB 4.08Å; W160-F164 HydrophobicContact CZ3-CD1 4.07Å; W160-F164 HydrophobicContact CZ3-CG 4.25Å; T161-F164 PolarHBondContact O-N 3.29Å; T161-F164 VanDerWaalsContact O-N 3.08Å
165S92.6Very high94.6Very high54 Ų5431.8 Ų31.838%0.37820%0.197SC..  trans-154.523.1176.547.50000112.5M108 S109 D167M108-S165 PolarHBondContact O-N 2.76Å; S109-S165 WeakPolarHBondContact CB-OG 3.49Å; S165-D167 PolarHBondContact O-N 2.98Å
166A94.9Very high94.7Very high1 Ų137.2 Ų37.21%0.00822%0.222CC..  trans-63.4127-17300000112.8M108 G110 L115 W160 V169M108-A166 PolarHBondContact O-N 3.36Å; G110-A166 CarbonylContact O-C 3.48Å; G110-A166 WeakPolarHBondContact O-CA 3.48Å; L115-A166 HydrophobicContact CD2-CB 4.23Å; W160-A166 HydrophobicContact CZ2-CB 4Å; W160-A166 PolarHBondContact NE1-O 3.02Å; A166-V169 HydrophobicContact CB-CG2 4.49Å
167D95.6Very high94.7Very high103 Ų10337.7 Ų37.755%0.55122%0.223SC*.BIsolated β-bridgetrans-72.9154.3-173.872.5-88.3000112.8G110 S111 G112 S165 V169G110-D167 PolarHBondContact O-N 3.24Å; G110-D167 VanDerWaalsContact O-OD1 3.1Å; S111-D167 WeakPolarHBondContact CA-OD1 3.44Å; S111-D167 WeakPolarHBondContact CB-OD1 3.4Å; S111-D167 PolarHBondContact N-OD1 2.83Å; G112-D167 VanDerWaalsContact CA-O 3.31Å; G112-D167 WeakPolarHBondContact CA-O 3.42Å; G112-D167 PolarHBondContact N-O 3.27Å; S165-D167 PolarHBondContact O-N 2.98Å; D167-V169 VanDerWaalsContact C-N 3.28Å; D167-V169 PolarHBondContact O-N 2.97Å
168G96.6Very high94.7Very high47 Ų4737.6 Ų37.649%0.48522%0.223SC..THydrogen-bonded Turntrans73.210.9178.100000115.9H172G168-H172 PolarHBondContact O-ND1 2.74Å
169V97.9Very high94.8Very high0 Ų036.6 Ų36.60%021%0.214CC..  trans-105.2-41175.4-170.10000112.6F116 L157 W160 A166 D167 G171 H172 V174 L177F116-V169 HydrophobicContact CD2-CG2 4.5Å; F116-V169 HydrophobicContact CE2-CG1 3.83Å; F116-V169 HydrophobicContact CE2-CG2 3.88Å; F116-V169 HydrophobicContact CZ-CG1 4.23Å; L157-V169 HydrophobicContact CB-CG1 4.39Å; L157-V169 HydrophobicContact CD2-CB 4.05Å; L157-V169 HydrophobicContact CD2-CG1 3.6Å; W160-V169 HydrophobicContact CH2-CB 4.35Å; W160-V169 HydrophobicContact CH2-CG1 3.93Å; W160-V169 HydrophobicContact CZ2-CB 3.45Å; W160-V169 VanDerWaalsContact CZ2-CB 3.45Å; W160-V169 HydrophobicContact CZ2-CG1 3.52Å; W160-V169 HydrophobicContact CZ2-CG2 3.68Å; A166-V169 HydrophobicContact CB-CG2 4.49Å; D167-V169 VanDerWaalsContact C-N 3.28Å; D167-V169 PolarHBondContact O-N 2.97Å; V169-G171 PolarHBondContact O-N 2.99Å; V169-H172 WeakPolarHBondContact O-CB 3.45Å; V169-H172 PolarHBondContact O-N 3.14Å; V169-V174 HydrophobicContact CG1-CG1 4.15Å; V169-L177 HydrophobicContact CB-CD1 4.35Å; V169-L177 HydrophobicContact CG1-CD1 3.88Å; V169-L177 HydrophobicContact CG2-CD1 4.35Å
170E97Very high95Very high94 Ų9437 Ų3744%0.43922%0.223SC..THydrogen-bonded Turntrans-57.7136.5174.8-63.5-172.7165.500110.2L157 R159 W160 H172L157-E170 HydrophobicContact CD2-CG 3.97Å; L157-E170 HydrophobicContact CG-CG 4.32Å; R159-E170 VanDerWaalsContact CA-OE1 3.24Å; R159-E170 WeakPolarHBondContact CA-OE1 3.46Å; W160-E170 HydrophobicContact CG-CG 4.46Å; W160-E170 PolarHBondContact N-OE1 3.49Å; E170-H172 PolarHBondContact O-N 2.62Å; E170-H172 PolarHBondContact O-ND1 2.95Å
171G97.3Very high95.3Very high56 Ų5637.5 Ų37.558%0.57723%0.226SC*.THydrogen-bonded Turntrans76.50.8-175.600000115.5T156 L157 V169T156-G171 WeakPolarHBondContact CG2-O 3.46Å; L157-G171 PolarHBondContact O-N 2.98Å; V169-G171 PolarHBondContact O-N 2.99Å
172H98Very high95.7Very high97 Ų9737.3 Ų37.345%0.44922%0.224SC..SBendtrans-113.6154.6-178.5-63.177.4000112.6T156 L157 G168 V169 E170 V174 L177T156-H172 WeakPolarHBondContact CA-O 3.42Å; L157-H172 PolarHBondContact N-O 3.29Å; G168-H172 PolarHBondContact O-ND1 2.74Å; V169-H172 WeakPolarHBondContact O-CB 3.45Å; V169-H172 PolarHBondContact O-N 3.14Å; E170-H172 PolarHBondContact O-N 2.62Å; E170-H172 PolarHBondContact O-ND1 2.95Å; H172-V174 PolarHBondContact O-N 2.96Å; H172-L177 HydrophobicContact CB-CD1 3.97Å; H172-L177 HydrophobicContact CB-CG 4.43Å
173N98.1Very high96.3Very high10 Ų1041.1 Ų41.15%0.05325%0.246CC..BIsolated β-bridgetrans-75.2111.7177.1-1789.4000110.8T153 H154 A155 A175 E176 L177T153-N173 PolarHBondContact O-ND2 2.76Å; T153-N173 PolarHBondContact O-OD1 3.21Å; H154-N173 PolarHBondContact ND1-ND2 3.27Å; A155-N173 PolarHBondContact N-OD1 3.44Å; A155-N173 WeakPolarHBondContact O-CA 3.35Å; A155-N173 PolarHBondContact O-OD1 3.31Å; N173-A175 VanDerWaalsContact C-N 3.26Å; N173-A175 PolarHBondContact O-N 3.39Å; N173-A175 PolarHBondContact OD1-N 2.98Å; N173-E176 HydrophobicContact CB-CB 4.17Å; N173-E176 HydrophobicContact CB-CG 4.22Å; N173-E176 WeakPolarHBondContact ND2-CG 3.49Å; N173-E176 PolarHBondContact ND2-OE1 3.19Å; N173-E176 PolarHBondContact O-N 3.11Å; N173-E176 VanDerWaalsContact O-N 3.13Å; N173-L177 PolarHBondContact O-N 3.12Å; N173-L177 VanDerWaalsContact O-N 3.09Å
174V97.8Very high96.9Very high0 Ų046.4 Ų46.40%026%0.261CS..Hα-helixtrans-68.1-25.2-175.4-56.30000113.3F116 F141 F143 A155 L157 V169 H172 L178 V194F116-V174 HydrophobicContact CZ-CB 4.1Å; F116-V174 HydrophobicContact CZ-CG1 4.35Å; F141-V174 HydrophobicContact CE1-CB 4.45Å; F141-V174 HydrophobicContact CE1-CG2 4.37Å; F143-V174 HydrophobicContact CD1-CG1 4.27Å; F143-V174 HydrophobicContact CD1-CG2 4.22Å; F143-V174 HydrophobicContact CD2-CG2 4.47Å; F143-V174 HydrophobicContact CE1-CG1 3.76Å; F143-V174 HydrophobicContact CE2-CB 4.44Å; F143-V174 HydrophobicContact CE2-CG1 4.2Å; F143-V174 HydrophobicContact CG-CG2 4.17Å; F143-V174 HydrophobicContact CZ-CB 4.43Å; F143-V174 HydrophobicContact CZ-CG1 3.73Å; A155-V174 HydrophobicContact CB-CG2 4.05Å; A155-V174 PolarHBondContact O-N 2.85Å; L157-V174 HydrophobicContact CB-CG1 4.09Å; V169-V174 HydrophobicContact CG1-CG1 4.15Å; H172-V174 PolarHBondContact O-N 2.96Å; V174-L178 WeakPolarHBondContact O-CB 3.48Å; V174-L178 PolarHBondContact O-N 2.81Å; V174-V194 HydrophobicContact CG2-CG1 3.77Å; V174-V194 HydrophobicContact CG2-CG2 4.19Å
175A97.6Very high97.1Very high5 Ų550.8 Ų50.84%0.04128%0.278CS..Hα-helixtrans-66.7-40.7173.600000111.4T153 N173 Q179 V194T153-A175 WeakPolarHBondContact O-CB 3.36Å; N173-A175 VanDerWaalsContact C-N 3.26Å; N173-A175 PolarHBondContact O-N 3.39Å; N173-A175 PolarHBondContact OD1-N 2.98Å; A175-Q179 VanDerWaalsContact O-CB 3.25Å; A175-Q179 WeakPolarHBondContact O-CB 3.33Å; A175-Q179 PolarHBondContact O-N 3.48Å; A175-V194 HydrophobicContact CB-CG2 3.66Å
176E98Very high97.2Very high113 Ų11357 Ų5753%0.52830%0.301SS..Hα-helixtrans-71.3-40.9178.7-77.5164.9-148.100111.5H154 N173 L178 Q179 T180H154-E176 IonicContact ND1-OE1 2.79Å; N173-E176 HydrophobicContact CB-CB 4.17Å; N173-E176 HydrophobicContact CB-CG 4.22Å; N173-E176 WeakPolarHBondContact ND2-CG 3.49Å; N173-E176 PolarHBondContact ND2-OE1 3.19Å; N173-E176 PolarHBondContact O-N 3.11Å; N173-E176 VanDerWaalsContact O-N 3.13Å; E176-L178 VanDerWaalsContact C-N 3.33Å; E176-L178 PolarHBondContact O-N 3.01Å; E176-Q179 PolarHBondContact O-N 3.39Å; E176-T180 WeakPolarHBondContact O-CB 3.26Å; E176-T180 PolarHBondContact O-N 3.1Å; E176-T180 PolarHBondContact O-OG1 2.94Å
177L98.2Very high97.3Very high43 Ų4357.7 Ų57.723%0.22531%0.305CS..Hα-helixtrans-59.3-45.5174.5-67177000111.2F116 V169 H172 N173F116-L177 HydrophobicContact CD1-CB 4.17Å; F116-L177 HydrophobicContact CD2-CB 3.74Å; F116-L177 HydrophobicContact CD2-CD1 4.1Å; F116-L177 HydrophobicContact CE1-CB 4.13Å; F116-L177 HydrophobicContact CE2-CB 3.75Å; F116-L177 HydrophobicContact CE2-CD1 3.54Å; F116-L177 HydrophobicContact CE2-CG 4.3Å; F116-L177 HydrophobicContact CG-CB 3.98Å; F116-L177 HydrophobicContact CZ-CB 3.94Å; F116-L177 HydrophobicContact CZ-CD1 4.07Å; V169-L177 HydrophobicContact CB-CD1 4.35Å; V169-L177 HydrophobicContact CG1-CD1 3.88Å; V169-L177 HydrophobicContact CG2-CD1 4.35Å; H172-L177 HydrophobicContact CB-CD1 3.97Å; H172-L177 HydrophobicContact CB-CG 4.43Å; N173-L177 PolarHBondContact O-N 3.12Å; N173-L177 VanDerWaalsContact O-N 3.09Å
178L98.3Very high97.3Very high0 Ų056.8 Ų56.80%030%0.3CS..Hα-helixtrans-63.3-52.9174.3176.661.1000111.3L73 F116 I119 L139 F141 V174 E176 T180 E181 L182 C191L73-L178 HydrophobicContact CD1-CD1 3.99Å; L73-L178 HydrophobicContact CD1-CD2 3.95Å; F116-L178 HydrophobicContact CD1-CB 3.93Å; F116-L178 HydrophobicContact CD1-CD1 4.45Å; F116-L178 HydrophobicContact CE1-CB 4.13Å; I119-L178 HydrophobicContact CG2-CD1 3.74Å; L139-L178 HydrophobicContact CD2-CD2 3.88Å; F141-L178 HydrophobicContact CB-CD2 4.13Å; F141-L178 HydrophobicContact CD1-CD2 3.56Å; F141-L178 HydrophobicContact CD2-CD2 4.41Å; F141-L178 HydrophobicContact CE1-CB 4.38Å; F141-L178 HydrophobicContact CE1-CD2 3.97Å; F141-L178 HydrophobicContact CG-CD2 3.79Å; V174-L178 WeakPolarHBondContact O-CB 3.48Å; V174-L178 PolarHBondContact O-N 2.81Å; E176-L178 VanDerWaalsContact C-N 3.33Å; E176-L178 PolarHBondContact O-N 3.01Å; L178-T180 PolarHBondContact O-N 2.79Å; L178-E181 PolarHBondContact O-N 3.22Å; L178-L182 HydrophobicContact CD1-CD1 4.29Å; L178-L182 HydrophobicContact CD1-CD2 4.3Å; L178-L182 HydrophobicContact CD1-CG 4.15Å; L178-L182 HydrophobicContact CG-CD1 4.01Å; L178-L182 HydrophobicContact CG-CG 4.29Å; L178-L182 WeakPolarHBondContact O-CG 3.47Å; L178-L182 PolarHBondContact O-N 3.06Å; L178-C191 HydrophobicContact CD2-CB 4.4Å
179Q98.3Very high97.3Very high38 Ų3854.8 Ų54.818%0.17828%0.278CS..Hα-helixtrans-58.3-38.1-176.6-169.165.360.100111.7A175 E176 E181 L182 D183 V189A175-Q179 VanDerWaalsContact O-CB 3.25Å; A175-Q179 WeakPolarHBondContact O-CB 3.33Å; A175-Q179 PolarHBondContact O-N 3.48Å; E176-Q179 PolarHBondContact O-N 3.39Å; Q179-E181 VanDerWaalsContact C-N 3.32Å; Q179-E181 PolarHBondContact O-N 3.41Å; Q179-L182 PolarHBondContact O-N 3.05Å; Q179-D183 PolarHBondContact NE2-OD1 3.19Å; Q179-D183 WeakPolarHBondContact O-CB 3.06Å; Q179-D183 PolarHBondContact O-N 2.95Å; Q179-V189 PolarHBondContact NE2-O 2.89Å; Q179-V189 VanDerWaalsContact NE2-O 3.07Å
180T98.2Very high97.3Very high66 Ų6660.5 Ų60.541%0.40530%0.303SS..Hα-helixtrans-56.9-44176.3-62.10000112.1E176 L178 K184E176-T180 WeakPolarHBondContact O-CB 3.26Å; E176-T180 PolarHBondContact O-N 3.1Å; E176-T180 PolarHBondContact O-OG1 2.94Å; L178-T180 PolarHBondContact O-N 2.79Å; T180-K184 HydrophobicContact CG2-CD 4.47Å; T180-K184 VanDerWaalsContact O-CG 3.28Å; T180-K184 WeakPolarHBondContact O-CG 3.3Å; T180-K184 PolarHBondContact O-N 3.43Å; T180-K184 VanDerWaalsContact O-N 3.15Å
181E98Very high97.3Very high17 Ų1756.4 Ų56.48%0.07929%0.285CS..Hα-helixtrans-77.6-27.6179.9-63.4-57.913600112.6F116 A120 L178 Q179 K184 R185F116-E181 HydrophobicContact CB-CG 3.87Å; A120-E181 HydrophobicContact CB-CB 3.77Å; L178-E181 PolarHBondContact O-N 3.22Å; Q179-E181 VanDerWaalsContact C-N 3.32Å; Q179-E181 PolarHBondContact O-N 3.41Å; E181-K184 IonicContact OE1-NZ 3.71Å; E181-K184 PolarHBondContact OE1-NZ 3.03Å; E181-K184 IonicContact OE2-NZ 2.84Å; E181-R185 WeakPolarHBondContact O-CG 3.47Å
182L97.8Very high97.3Very high0 Ų054.8 Ų54.80%026%0.263CS..Hα-helixtrans-67.1-45.3170.7-61.4179.8000111.5A120 L123 L139 L178 Q179 R185 E186 L187 V189A120-L182 HydrophobicContact CB-CD2 3.97Å; L123-L182 HydrophobicContact CD2-CD2 3.71Å; L139-L182 HydrophobicContact CD2-CD1 4.16Å; L178-L182 HydrophobicContact CD1-CD1 4.29Å; L178-L182 HydrophobicContact CD1-CD2 4.3Å; L178-L182 HydrophobicContact CD1-CG 4.15Å; L178-L182 HydrophobicContact CG-CD1 4.01Å; L178-L182 HydrophobicContact CG-CG 4.29Å; L178-L182 WeakPolarHBondContact O-CG 3.47Å; L178-L182 PolarHBondContact O-N 3.06Å; Q179-L182 PolarHBondContact O-N 3.05Å; L182-R185 PolarHBondContact O-N 3.01Å; L182-E186 PolarHBondContact O-N 3.49Å; L182-L187 HydrophobicContact CD2-CD1 3.73Å; L182-L187 PolarHBondContact O-N 3Å; L182-L187 VanDerWaalsContact O-N 3.16Å; L182-V189 HydrophobicContact CD1-CB 4.35Å; L182-V189 HydrophobicContact CD1-CG1 4.18Å
183D97.5Very high97.1Very high94 Ų9450.1 Ų50.150%0.50324%0.242SC..Hα-helixtrans-66.8-40.8-178.2-68.5-11000111.8Q179 R185 E186Q179-D183 PolarHBondContact NE2-OD1 3.19Å; Q179-D183 WeakPolarHBondContact O-CB 3.06Å; Q179-D183 PolarHBondContact O-N 2.95Å; D183-R185 PolarHBondContact O-N 2.76Å; D183-R185 VanDerWaalsContact O-N 3.1Å; D183-E186 PolarHBondContact O-N 2.83Å
184K97.3Very high97.1Very high134 Ų13449.8 Ų49.858%0.58324%0.24SC*.THydrogen-bonded Turntrans-57.2-24.7174.2-78.8173.2-174.6172.20113.5T180 E181T180-K184 HydrophobicContact CG2-CD 4.47Å; T180-K184 VanDerWaalsContact O-CG 3.28Å; T180-K184 WeakPolarHBondContact O-CG 3.3Å; T180-K184 PolarHBondContact O-N 3.43Å; T180-K184 VanDerWaalsContact O-N 3.15Å; E181-K184 IonicContact OE1-NZ 3.71Å; E181-K184 PolarHBondContact OE1-NZ 3.03Å; E181-K184 IonicContact OE2-NZ 2.84Å
185R94.9Very high97Very high95 Ų9549.9 Ų49.936%0.35824%0.241SC..THydrogen-bonded Turntrans-100.95.5179.7-60.7178.383.483.30.6112.4E121 E181 L182 D183 L187E121-R185 IonicContact OE1-NH1 2.71Å; E121-R185 PolarHBondContact OE1-NH1 3.28Å; E181-R185 WeakPolarHBondContact O-CG 3.47Å; L182-R185 PolarHBondContact O-N 3.01Å; D183-R185 PolarHBondContact O-N 2.76Å; D183-R185 VanDerWaalsContact O-N 3.1Å; R185-L187 HydrophobicContact CB-CD1 4.41Å; R185-L187 HydrophobicContact CB-CG 4.02Å; R185-L187 PolarHBondContact O-N 2.91Å; R185-L187 VanDerWaalsContact O-N 3.17Å
186E94.6Very high96.9Very high183 Ų18349.8 Ų49.886%0.85524%0.24SC*.THydrogen-bonded Turntrans5530.9-178.6-55.7-179.4170.100112.8L182 D183 N188L182-E186 PolarHBondContact O-N 3.49Å; D183-E186 PolarHBondContact O-N 2.83Å; E186-N188 PolarHBondContact O-N 2.71Å
187L95.5Very high96.8Very high17 Ų1745 Ų459%0.08922%0.218CC..  trans-73.6128.1176-64.5178.8000109.5A124 L127 L182 R185 V189A124-L187 HydrophobicContact CB-CD1 4.12Å; A124-L187 HydrophobicContact CB-CD2 3.98Å; L127-L187 HydrophobicContact CD1-CD2 4.38Å; L182-L187 HydrophobicContact CD2-CD1 3.73Å; L182-L187 PolarHBondContact O-N 3Å; L182-L187 VanDerWaalsContact O-N 3.16Å; R185-L187 HydrophobicContact CB-CD1 4.41Å; R185-L187 HydrophobicContact CB-CG 4.02Å; R185-L187 PolarHBondContact O-N 2.91Å; R185-L187 VanDerWaalsContact O-N 3.17Å; L187-V189 HydrophobicContact CB-CG2 4.31Å; L187-V189 PolarHBondContact O-N 3.09Å
188N95.9Very high96.8Very high84 Ų8443 Ų4345%0.44921%0.207SC..  trans-78.153.3176.3-162.91.2000111.7K136 F137 E186K136-N188 VanDerWaalsContact CA-O 3.31Å; K136-N188 WeakPolarHBondContact CA-O 3.09Å; K136-N188 WeakPolarHBondContact CG-OD1 3.37Å; F137-N188 PolarHBondContact N-O 3.12Å; E186-N188 PolarHBondContact O-N 2.71Å
189V97.8Very high96.7Very high5 Ų543 Ų433%0.0321%0.207CC..EExtended strand (participates in β ladder)trans-126.1129.2-176-178.70000109.4L71 L123 L127 F137 L139 Q179 L182 L187L71-V189 HydrophobicContact CD1-CG1 3.89Å; L71-V189 HydrophobicContact CD1-CG2 3.75Å; L123-V189 HydrophobicContact CD2-CG1 4.27Å; L127-V189 HydrophobicContact CD1-CG2 3.85Å; F137-V189 HydrophobicContact CB-CG2 4.44Å; F137-V189 WeakPolarHBondContact O-CA 3.49Å; L139-V189 HydrophobicContact CB-CG1 3.64Å; L139-V189 HydrophobicContact CD2-CG1 3.95Å; L139-V189 HydrophobicContact CG-CG1 4.33Å; Q179-V189 PolarHBondContact NE2-O 2.89Å; Q179-V189 VanDerWaalsContact NE2-O 3.07Å; L182-V189 HydrophobicContact CD1-CB 4.35Å; L182-V189 HydrophobicContact CD1-CG1 4.18Å; L187-V189 HydrophobicContact CB-CG2 4.31Å; L187-V189 PolarHBondContact O-N 3.09Å
190K97.6Very high96.6Very high120 Ų12041.2 Ų41.252%0.52220%0.199SC..EExtended strand (participates in β ladder)trans-114.7121.9178.5-173.4178.2-179.5-178.90110.9F137 L139 V192F137-K190 PolarHBondContact O-N 2.81Å; L139-K190 WeakPolarHBondContact CB-O 3.22Å; L139-K190 PolarHBondContact N-O 3.27Å; K190-V192 HydrophobicContact CB-CG1 4.41Å; K190-V192 HydrophobicContact CD-CG1 4.17Å; K190-V192 HydrophobicContact CG-CG1 4.05Å; K190-V192 PolarHBondContact O-N 2.89Å
191C97.4Very high96.4Very high8 Ų838.1 Ų38.15%0.05418%0.18CC..EExtended strand (participates in β ladder)trans-71.2109.9170.4-174.20000109.7T153 L178T153-C191 WeakPolarHBondContact CG2-O 3.38Å; L178-C191 HydrophobicContact CD2-CB 4.4Å
192V96.3Very high96.4Very high21 Ų2137.3 Ų37.313%0.12718%0.176CC..EExtended strand (participates in β ladder)trans-106.4-15.4-176.5-62.50000113.6D138 L139 T153 K190 A444 T448D138-V192 HydrophobicContact CB-CG1 3.93Å; D138-V192 HydrophobicContact CB-CG2 3.9Å; L139-V192 WeakPolarHBondContact O-CG2 3.49Å; L139-V192 PolarHBondContact O-N 3.47Å; T153-V192 VanDerWaalsContact CG2-C 3.44Å; T153-V192 WeakPolarHBondContact CG2-O 3.27Å; K190-V192 HydrophobicContact CB-CG1 4.41Å; K190-V192 HydrophobicContact CD-CG1 4.17Å; K190-V192 HydrophobicContact CG-CG1 4.05Å; K190-V192 PolarHBondContact O-N 2.89Å; V192-A444 HydrophobicContact CG2-CB 3.58Å; V192-T448 HydrophobicContact CG2-CG2 4.5Å
193A95.3Very high96.2Very high0 Ų037.4 Ų37.40%018%0.177CC..EExtended strand (participates in β ladder)trans-151.3138.1176.200000110.7G140 F141 L152 I443G140-A193 CarbonylContact C-O 3Å; F141-A193 PolarHBondContact N-O 3.39Å; L152-A193 HydrophobicContact CB-CB 4.44Å; L152-A193 CarbonylContact O-C 3.3Å; L152-A193 WeakPolarHBondContact O-CA 3.48Å; A193-I443 HydrophobicContact CB-CG2 4.13Å
194V96.9Very high96Very high3 Ų333.1 Ų33.12%0.01815%0.154CC..EExtended strand (participates in β ladder)trans-112.4127.4164.5-178.50000107.5F141 F143 Q149 L152 A155 V174 A175F141-V194 HydrophobicContact CB-CG2 4.35Å; F141-V194 HydrophobicContact CD1-CG2 4.25Å; F141-V194 CarbonylContact O-C 3.57Å; F141-V194 VanDerWaalsContact O-CA 3.26Å; F141-V194 WeakPolarHBondContact O-CA 3.34Å; F143-V194 HydrophobicContact CB-CG1 3.88Å; Q149-V194 PolarHBondContact NE2-O 3.02Å; Q149-V194 VanDerWaalsContact NE2-O 3.1Å; L152-V194 PolarHBondContact O-N 2.87Å; A155-V194 HydrophobicContact CB-CB 3.81Å; A155-V194 HydrophobicContact CB-CG1 3.68Å; A155-V194 HydrophobicContact CB-CG2 4.3Å; V174-V194 HydrophobicContact CG2-CG1 3.77Å; V174-V194 HydrophobicContact CG2-CG2 4.19Å; A175-V194 HydrophobicContact CB-CG2 3.66Å
195V96Very high95.8Very high1 Ų126.8 Ų26.81%0.00613%0.127CC..EExtended strand (participates in β ladder)trans-133.1150.1-178.2-59.90000110V58 F141 T142 F143 V199 A440 I443V58-V195 HydrophobicContact CG2-CG1 4.42Å; F141-V195 PolarHBondContact O-N 3.28Å; T142-V195 CarbonylContact C-O 3.56Å; T142-V195 VanDerWaalsContact CA-O 3.26Å; T142-V195 WeakPolarHBondContact CA-O 3.12Å; T142-V195 HydrophobicContact CG2-CG2 4.47Å; F143-V195 PolarHBondContact N-O 2.99Å; V195-V199 HydrophobicContact CB-CB 4.32Å; V195-V199 HydrophobicContact CB-CG1 4.27Å; V195-V199 HydrophobicContact CG1-CG1 4.42Å; V195-A440 HydrophobicContact CG2-CB 3.58Å; V195-I443 HydrophobicContact CB-CD1 4.4Å; V195-I443 HydrophobicContact CG1-CB 4.46Å; V195-I443 HydrophobicContact CG1-CD1 3.74Å; V195-I443 HydrophobicContact CG1-CG2 4.02Å
196N96.3Very high95.6Very high4 Ų422.5 Ų22.52%0.02111%0.112CC..  trans-73.6156.5168.2-173.2-104.3000110.3T198 V199 G200 N223 N247N196-T198 VanDerWaalsContact C-N 3.27Å; N196-T198 PolarHBondContact O-N 3.39Å; N196-T198 WeakPolarHBondContact OD1-CB 3.14Å; N196-T198 PolarHBondContact OD1-N 3.44Å; N196-T198 PolarHBondContact OD1-OG1 3.31Å; N196-V199 HydrophobicContact CB-CG2 4.14Å; N196-V199 WeakPolarHBondContact O-CB 3.41Å; N196-V199 PolarHBondContact O-N 2.88Å; N196-G200 PolarHBondContact O-N 3.25Å; N196-N223 PolarHBondContact OD1-ND2 3.32Å; N196-N247 WeakPolarHBondContact CB-ND2 3.48Å
197D95.5Very high95.3Very high13 Ų1315.4 Ų15.47%0.078%0.079CC..Hα-helixtrans-56-42177.547.610.6000112.5T142 S144 K162 V199 G200 T201 I217T142-D197 VanDerWaalsContact CG2-CA 3.44Å; T142-D197 HydrophobicContact CG2-CB 3.93Å; S144-D197 WeakPolarHBondContact CB-OD2 3.43Å; S144-D197 VanDerWaalsContact OG-CB 3.3Å; S144-D197 WeakPolarHBondContact OG-CB 3.43Å; S144-D197 PolarHBondContact OG-OD2 2.88Å; K162-D197 IonicContact NZ-OD2 3.42Å; K162-D197 PolarHBondContact NZ-OD2 3.22Å; D197-V199 VanDerWaalsContact C-N 3.32Å; D197-V199 PolarHBondContact O-N 3.12Å; D197-G200 PolarHBondContact O-N 3.33Å; D197-T201 WeakPolarHBondContact O-CB 3.31Å; D197-T201 PolarHBondContact O-N 3.26Å; D197-T201 PolarHBondContact O-OG1 2.7Å; D197-T201 VanDerWaalsContact O-OG1 3.06Å; D197-I217 HydrophobicContact CB-CD1 4.2Å; D197-I217 HydrophobicContact CB-CG1 4.18Å
198T96.8Very high94.8Very high0 Ų018.9 Ų18.90%010%0.095CC..Hα-helixtrans-58.8-40.5174.857.10000113.5N196 T201 L202 G215 I217 N223 A225N196-T198 VanDerWaalsContact C-N 3.27Å; N196-T198 PolarHBondContact O-N 3.39Å; N196-T198 WeakPolarHBondContact OD1-CB 3.14Å; N196-T198 PolarHBondContact OD1-N 3.44Å; N196-T198 PolarHBondContact OD1-OG1 3.31Å; T198-T201 PolarHBondContact O-N 3.26Å; T198-L202 WeakPolarHBondContact O-CB 3.49Å; T198-L202 PolarHBondContact O-N 3.3Å; T198-G215 WeakPolarHBondContact CB-O 3.09Å; T198-G215 WeakPolarHBondContact O-CA 3.33Å; T198-I217 HydrophobicContact CG2-CB 4.19Å; T198-I217 HydrophobicContact CG2-CG1 3.6Å; T198-N223 HydrophobicContact CG2-CB 3.52Å; T198-N223 WeakPolarHBondContact CG2-O 3.3Å; T198-A225 VanDerWaalsContact OG1-CB 3.26Å; T198-A225 WeakPolarHBondContact OG1-CB 3.12Å
199V96.7Very high94.6Very high1 Ų116.2 Ų16.21%0.0068%0.081CC..Hα-helixtrans-69-41178.5179.30000110V58 V195 N196 D197 L202 A203 A225 V245 N247 I443V58-V199 HydrophobicContact CB-CG1 4.41Å; V58-V199 HydrophobicContact CG2-CG1 3.94Å; V195-V199 HydrophobicContact CB-CB 4.32Å; V195-V199 HydrophobicContact CB-CG1 4.27Å; V195-V199 HydrophobicContact CG1-CG1 4.42Å; N196-V199 HydrophobicContact CB-CG2 4.14Å; N196-V199 WeakPolarHBondContact O-CB 3.41Å; N196-V199 PolarHBondContact O-N 2.88Å; D197-V199 VanDerWaalsContact C-N 3.32Å; D197-V199 PolarHBondContact O-N 3.12Å; V199-L202 PolarHBondContact O-N 2.74Å; V199-A203 WeakPolarHBondContact O-CB 3.29Å; V199-A203 PolarHBondContact O-N 3.35Å; V199-A225 HydrophobicContact CG2-CB 3.82Å; V199-V245 HydrophobicContact CB-CG1 4.43Å; V199-V245 HydrophobicContact CG1-CG1 4.08Å; V199-V245 HydrophobicContact CG2-CG1 3.94Å; V199-N247 HydrophobicContact CG2-CB 4.32Å; V199-I443 HydrophobicContact CG1-CD1 3.88Å
200G95.6Very high94.2Very high0 Ų021.8 Ų21.80%012%0.117CC..Hα-helixtrans-60.5-50.117200000111.9N196 D197 L202 A203 S204 G435 G439N196-G200 PolarHBondContact O-N 3.25Å; D197-G200 PolarHBondContact O-N 3.33Å; G200-L202 VanDerWaalsContact C-N 3.31Å; G200-L202 PolarHBondContact O-N 2.96Å; G200-A203 PolarHBondContact O-N 2.89Å; G200-A203 VanDerWaalsContact O-N 3.1Å; G200-S204 PolarHBondContact O-N 3.11Å; G200-G435 CarbonylContact C-O 3.47Å; G200-G435 VanDerWaalsContact C-O 3.3Å; G200-G435 VanDerWaalsContact O-O 3.08Å; G200-G439 WeakPolarHBondContact O-CA 3.3Å
201T95.8Very high94Very high0 Ų020.5 Ų20.50%011%0.111CC..Hα-helixtrans-56.9-43176.6-630000112D197 T198 C205 I217 G397 D399D197-T201 WeakPolarHBondContact O-CB 3.31Å; D197-T201 PolarHBondContact O-N 3.26Å; D197-T201 PolarHBondContact O-OG1 2.7Å; D197-T201 VanDerWaalsContact O-OG1 3.06Å; T198-T201 PolarHBondContact O-N 3.26Å; T201-C205 WeakPolarHBondContact O-CB 3.47Å; T201-C205 PolarHBondContact O-N 3.03Å; T201-I217 WeakPolarHBondContact OG1-CD1 3.48Å; T201-G397 WeakPolarHBondContact CG2-O 3.2Å; T201-D399 HydrophobicContact CG2-CB 3.99Å
202L96.3Very high93.9Very high1 Ų120.2 Ų20.21%0.00511%0.109CC..Hα-helixtrans-59.4-50.9174.2-172.7158000111T61 T198 V199 G200 S204 C205 A206 I227 V245T61-L202 HydrophobicContact CG2-CD2 3.58Å; T198-L202 WeakPolarHBondContact O-CB 3.49Å; T198-L202 PolarHBondContact O-N 3.3Å; V199-L202 PolarHBondContact O-N 2.74Å; G200-L202 VanDerWaalsContact C-N 3.31Å; G200-L202 PolarHBondContact O-N 2.96Å; L202-S204 PolarHBondContact O-N 2.78Å; L202-C205 PolarHBondContact O-N 3.33Å; L202-A206 VanDerWaalsContact O-CB 3.3Å; L202-A206 WeakPolarHBondContact O-CB 3.16Å; L202-A206 PolarHBondContact O-N 3.08Å; L202-I227 HydrophobicContact CD1-CG1 4.22Å; L202-I227 HydrophobicContact CD2-CG1 4.39Å; L202-V245 HydrophobicContact CD1-CG1 3.99Å; L202-V245 HydrophobicContact CD1-CG2 4.4Å; L202-V245 HydrophobicContact CD2-CG2 4.23Å
203A94.4Very high94Very high2 Ų219.2 Ų19.22%0.01710%0.103CC..Hα-helixtrans-64.9-39.5-177.100000112.9P62 V199 G200 A206 L207 I443P62-A203 HydrophobicContact CG-CB 3.97Å; V199-A203 WeakPolarHBondContact O-CB 3.29Å; V199-A203 PolarHBondContact O-N 3.35Å; G200-A203 PolarHBondContact O-N 2.89Å; G200-A203 VanDerWaalsContact O-N 3.1Å; A203-A206 PolarHBondContact O-N 3.3Å; A203-L207 PolarHBondContact O-N 3.22Å; A203-I443 HydrophobicContact CB-CD1 3.65Å; A203-I443 HydrophobicContact CB-CG1 3.81Å
204S92.8Very high94.1Very high3 Ų319.2 Ų19.22%0.02110%0.103CC..Hα-helixtrans-67.2-41.9175.3-174.80000111.9G200 L202 A206 L207 G435 K438G200-S204 PolarHBondContact O-N 3.11Å; L202-S204 PolarHBondContact O-N 2.78Å; S204-A206 VanDerWaalsContact C-N 3.3Å; S204-A206 PolarHBondContact O-N 2.93Å; S204-L207 WeakPolarHBondContact O-CB 3.44Å; S204-L207 PolarHBondContact O-N 3.15Å; S204-G435 WeakPolarHBondContact CB-O 3.43Å; S204-K438 WeakPolarHBondContact OG-CB 3.49Å
205C92.9Very high94.2Very high2 Ų219 Ų191%0.01410%0.103CC..Hα-helixtrans-67.9-33.6176.2-173.10000111.3T201 L202 L207 E208 D209 C212T201-C205 WeakPolarHBondContact O-CB 3.47Å; T201-C205 PolarHBondContact O-N 3.03Å; L202-C205 PolarHBondContact O-N 3.33Å; C205-L207 VanDerWaalsContact C-N 3.3Å; C205-L207 PolarHBondContact O-N 3.35Å; C205-E208 PolarHBondContact O-N 2.91Å; C205-E208 VanDerWaalsContact O-N 3.15Å; C205-D209 PolarHBondContact O-N 2.77Å; C205-C212 HydrophobicContact CB-CB 4.16Å; C205-C212 VanDerWaalsContact CB-SG 3.51Å; C205-C212 VanDerWaalsContact SG-SG 3.6Å
206A91.4Very high94.3Very high5 Ų519 Ų194%0.04110%0.102CC..Hα-helixtrans-64.8-29.1176.400000113.7L202 A203 S204 E208 D209 C212L202-A206 VanDerWaalsContact O-CB 3.3Å; L202-A206 WeakPolarHBondContact O-CB 3.16Å; L202-A206 PolarHBondContact O-N 3.08Å; A203-A206 PolarHBondContact O-N 3.3Å; S204-A206 VanDerWaalsContact C-N 3.3Å; S204-A206 PolarHBondContact O-N 2.93Å; A206-E208 VanDerWaalsContact C-N 3.25Å; A206-E208 PolarHBondContact O-N 2.77Å; A206-D209 WeakPolarHBondContact CA-O 3.41Å; A206-D209 CarbonylContact O-C 3.58Å; A206-C212 HydrophobicContact CB-CB 4.23Å
207L87.9Confident94.3Very high33 Ų3319.4 Ų19.417%0.17310%0.104CC..Hα-helixtrans-61.5-34.1172.4-76.3172.7000112.8P62 P94 A203 S204 C205 A442P62-L207 HydrophobicContact CB-CD2 3.32Å; P62-L207 HydrophobicContact CB-CG 3.73Å; P62-L207 HydrophobicContact CG-CD2 4.45Å; P62-L207 HydrophobicContact CG-CG 4.45Å; P94-L207 HydrophobicContact CG-CD1 4.41Å; A203-L207 PolarHBondContact O-N 3.22Å; S204-L207 WeakPolarHBondContact O-CB 3.44Å; S204-L207 PolarHBondContact O-N 3.15Å; C205-L207 VanDerWaalsContact C-N 3.3Å; C205-L207 PolarHBondContact O-N 3.35Å; L207-A442 HydrophobicContact CD1-CB 3.77Å; L207-A442 HydrophobicContact CG-CB 4.4Å
208E86.2Confident94.3Very high90 Ų9018.8 Ų18.842%0.42110%0.101SC..Hα-helixtrans-101.1-21.3-175.7-57.4-177.4-175.100113.3C205 A206 R430C205-E208 PolarHBondContact O-N 2.91Å; C205-E208 VanDerWaalsContact O-N 3.15Å; A206-E208 VanDerWaalsContact C-N 3.25Å; A206-E208 PolarHBondContact O-N 2.77Å; E208-R430 PolarHBondContact O-NH1 3.08Å; E208-R430 IonicContact OE2-CZ 3.07Å; E208-R430 IonicContact OE2-NE 3.59Å; E208-R430 IonicContact OE2-NH2 2.74Å; E208-R430 PolarHBondContact OE2-NH2 3.08Å
209D90.2Very high94.2Very high29 Ų2919 Ų1916%0.15510%0.103CC..  trans-143.2102.9177.4-170.3-12000110.5C205 A206 K211 C212 T395C205-D209 PolarHBondContact O-N 2.77Å; A206-D209 WeakPolarHBondContact CA-O 3.41Å; A206-D209 CarbonylContact O-C 3.58Å; D209-K211 PolarHBondContact O-N 2.64Å; D209-K211 VanDerWaalsContact OD1-CB 3.26Å; D209-K211 WeakPolarHBondContact OD1-CB 3.49Å; D209-K211 PolarHBondContact OD1-N 3.25Å; D209-C212 WeakPolarHBondContact O-CB 3.35Å; D209-C212 PolarHBondContact O-N 2.88Å; D209-T395 HydrophobicContact CB-CG2 4.37Å; D209-T395 VanDerWaalsContact OD2-CB 3.27Å; D209-T395 WeakPolarHBondContact OD2-CB 3.43Å; D209-T395 WeakPolarHBondContact OD2-CG2 3.33Å; D209-T395 PolarHBondContact OD2-OG1 2.77Å
210P90.3Very high93.9Very high121 Ų12120.7 Ų20.779%0.78611%0.113SC*.THydrogen-bonded Turntrans-59.7-14.9176.8-24.934.7000114.5
211K94Very high93.9Very high93 Ų9320.8 Ų20.840%0.40411%0.114SC..THydrogen-bonded Turntrans-80.6-5.1173.9-55-174.3-175.5-1720112.7D209 A213 E393 T395D209-K211 PolarHBondContact O-N 2.64Å; D209-K211 VanDerWaalsContact OD1-CB 3.26Å; D209-K211 WeakPolarHBondContact OD1-CB 3.49Å; D209-K211 PolarHBondContact OD1-N 3.25Å; K211-A213 PolarHBondContact O-N 3.25Å; K211-E393 HydrophobicContact CD-CB 4.18Å; K211-E393 IonicContact NZ-OE1 2.79Å; K211-E393 PolarHBondContact NZ-OE1 2.81Å; K211-E393 IonicContact NZ-OE2 3.49Å; K211-E393 PolarHBondContact NZ-OE2 3.45Å; K211-T395 PolarHBondContact O-N 3.21Å
212C95.4Very high93.9Very high2 Ų220.9 Ų20.91%0.01412%0.115CC..EExtended strand (participates in β ladder)trans-65.1121.6176.4-176.10000110.9C205 A206 D209 V214 T395C205-C212 HydrophobicContact CB-CB 4.16Å; C205-C212 VanDerWaalsContact CB-SG 3.51Å; C205-C212 VanDerWaalsContact SG-SG 3.6Å; A206-C212 HydrophobicContact CB-CB 4.23Å; D209-C212 WeakPolarHBondContact O-CB 3.35Å; D209-C212 PolarHBondContact O-N 2.88Å; C212-V214 PolarHBondContact SG-O 3.47Å; C212-T395 WeakPolarHBondContact CA-O 3.46Å; C212-T395 HydrophobicContact CB-CG2 4.37Å
213A96.9Very high94Very high0 Ų021 Ų210%012%0.116CC..EExtended strand (participates in β ladder)trans-1300.5178.800000112.9K211 Y226 I227 I389 V394 T395K211-A213 PolarHBondContact O-N 3.25Å; A213-Y226 CarbonylContact O-C 3.51Å; A213-Y226 WeakPolarHBondContact O-CA 3.32Å; A213-Y226 WeakPolarHBondContact O-CB 3.13Å; A213-I227 HydrophobicContact CB-CD1 4.19Å; A213-I227 HydrophobicContact CB-CG1 4.4Å; A213-I227 PolarHBondContact O-N 2.96Å; A213-I389 HydrophobicContact CB-CD1 4.17Å; A213-V394 HydrophobicContact CB-CG1 4.06Å; A213-T395 PolarHBondContact N-O 3.1Å; A213-T395 VanDerWaalsContact N-O 3.09Å
214V98.3Very high94.2Very high0 Ų021 Ų210%012%0.115CC..EExtended strand (participates in β ladder)trans-139.8132.1-176.3-173.40000109.3C212 V224 A225 I382 I385 I389 V394 V396 G397C212-V214 PolarHBondContact SG-O 3.47Å; V214-V224 HydrophobicContact CG1-CG2 3.42Å; V214-V224 VanDerWaalsContact CG1-CG2 3.42Å; V214-A225 CarbonylContact C-O 3.56Å; V214-A225 WeakPolarHBondContact CA-O 3.5Å; V214-I382 HydrophobicContact CG1-CD1 4.14Å; V214-I385 HydrophobicContact CG1-CG2 4.21Å; V214-I385 HydrophobicContact CG2-CG2 3.61Å; V214-I389 HydrophobicContact CG2-CD1 3.48Å; V214-I389 VanDerWaalsContact CG2-CD1 3.48Å; V214-V394 HydrophobicContact CG2-CG1 4.06Å; V214-V396 HydrophobicContact CB-CB 4.28Å; V214-V396 HydrophobicContact CB-CG1 4.01Å; V214-V396 HydrophobicContact CB-CG2 4.07Å; V214-V396 HydrophobicContact CG1-CG1 3.86Å; V214-V396 HydrophobicContact CG1-CG2 4.5Å; V214-V396 HydrophobicContact CG2-CG2 4.31Å; V214-G397 PolarHBondContact O-N 3.49Å
215G97.8Very high94.5Very high0 Ų020.8 Ų20.80%011%0.114CC..EExtended strand (participates in β ladder)trans-114.1115.2168.200000109.7T198 V224 A225 G397T198-G215 WeakPolarHBondContact CB-O 3.09Å; T198-G215 WeakPolarHBondContact O-CA 3.33Å; G215-V224 CarbonylContact O-C 3.55Å; G215-V224 WeakPolarHBondContact O-CA 3.44Å; G215-V224 WeakPolarHBondContact O-CG2 3.38Å; G215-A225 PolarHBondContact N-O 3.17Å; G215-A225 PolarHBondContact O-N 2.72Å; G215-G397 CarbonylContact C-O 3.45Å; G215-G397 WeakPolarHBondContact CA-O 3.36Å
216L98.2Very high94.7Very high0 Ų020.7 Ų20.70%011%0.113CC..EExtended strand (participates in β ladder)trans-111131-176.1171.964.2000110V218 V224 W250 I382 V396 G397 V398 D399 M413L216-V218 HydrophobicContact CD1-CG2 3.83Å; L216-V218 HydrophobicContact CD2-CG2 3.74Å; L216-V218 HydrophobicContact CG-CG2 3.69Å; L216-V224 HydrophobicContact CD1-CB 4.38Å; L216-V224 HydrophobicContact CD1-CG2 4.49Å; L216-W250 HydrophobicContact CD1-CH2 3.57Å; L216-W250 HydrophobicContact CD1-CZ2 3.35Å; L216-I382 HydrophobicContact CB-CD1 4.26Å; L216-I382 HydrophobicContact CD1-CD1 4.05Å; L216-I382 HydrophobicContact CD2-CD1 3.91Å; L216-I382 HydrophobicContact CD2-CG1 3.94Å; L216-I382 HydrophobicContact CG-CD1 4.27Å; L216-V396 HydrophobicContact CB-CG1 3.98Å; L216-G397 PolarHBondContact N-O 2.98Å; L216-V398 HydrophobicContact CB-CG1 4.43Å; L216-V398 HydrophobicContact CB-CG2 4.32Å; L216-V398 HydrophobicContact CD2-CG1 3.94Å; L216-V398 HydrophobicContact CD2-CG2 4Å; L216-V398 HydrophobicContact CG-CG1 4.17Å; L216-V398 CarbonylContact O-C 3.41Å; L216-V398 WeakPolarHBondContact O-CA 3.47Å; L216-D399 PolarHBondContact O-N 3.25Å; L216-M413 HydrophobicContact CD2-CE 3.95Å; L216-M413 HydrophobicContact CD2-SD 3.93Å
217I96.8Very high95Very high13 Ų1321.1 Ų21.17%0.06711%0.114CC..EExtended strand (participates in β ladder)trans-106.9124.4168.2-60.3-60.5000109.4D197 T198 T201 T222 N223 D399D197-I217 HydrophobicContact CB-CD1 4.2Å; D197-I217 HydrophobicContact CB-CG1 4.18Å; T198-I217 HydrophobicContact CG2-CB 4.19Å; T198-I217 HydrophobicContact CG2-CG1 3.6Å; T201-I217 WeakPolarHBondContact OG1-CD1 3.48Å; I217-T222 WeakPolarHBondContact O-CA 3.39Å; I217-T222 WeakPolarHBondContact O-CB 3.48Å; I217-T222 PolarHBondContact O-OG1 3.36Å; I217-N223 PolarHBondContact N-O 3.05Å; I217-N223 PolarHBondContact O-N 3.31Å; I217-D399 CarbonylContact C-O 3.5Å; I217-D399 WeakPolarHBondContact CA-O 3.49Å; I217-D399 HydrophobicContact CD1-CB 3.84Å
218V96.2Very high95.4Very high0 Ų019.7 Ų19.70%011%0.107CC..EExtended strand (participates in β ladder)trans-133.983.9170.2-169.80000109.1L216 D399 G400 L402 Y403 F409L216-V218 HydrophobicContact CD1-CG2 3.83Å; L216-V218 HydrophobicContact CD2-CG2 3.74Å; L216-V218 HydrophobicContact CG-CG2 3.69Å; V218-D399 PolarHBondContact N-O 2.96Å; V218-G400 CarbonylContact O-C 3.19Å; V218-G400 VanDerWaalsContact O-CA 3.3Å; V218-G400 WeakPolarHBondContact O-CA 3.35Å; V218-L402 HydrophobicContact CG1-CB 4.18Å; V218-L402 HydrophobicContact CG1-CD2 4.01Å; V218-L402 HydrophobicContact CG1-CG 4.28Å; V218-L402 PolarHBondContact O-N 3.04Å; V218-Y403 PolarHBondContact O-N 3.25Å; V218-F409 HydrophobicContact CG1-CD1 4.46Å; V218-F409 HydrophobicContact CG1-CE1 3.62Å; V218-F409 HydrophobicContact CG1-CE2 4.36Å; V218-F409 HydrophobicContact CG1-CZ 3.54Å
219G93.5Very high95.8Very high3 Ų318.5 Ų18.53%0.03110%0.103CC..SBendtrans-143-127.3-176.400000110.9G221 G288G219-G221 VanDerWaalsContact C-N 3.29Å; G219-G221 CarbonylContact C-O 3.52Å; G219-G221 PolarHBondContact N-O 3.27Å; G219-G221 PolarHBondContact O-N 3.38Å; G219-G288 WeakPolarHBondContact O-CA 3.31Å; G219-G288 PolarHBondContact O-N 3.4Å
220T91.9Very high96.1Very high38 Ų3818.1 Ų18.123%0.23310%0.103CC..SBendtrans-56.5-44.4172.9-53.40000111.3T78 S287 M289T78-T220 PolarHBondContact OG1-OG1 3.36Å; T220-S287 VanDerWaalsContact O-CB 3.29Å; T220-S287 WeakPolarHBondContact O-CB 3.43Å; T220-S287 PolarHBondContact O-OG 2.96Å; T220-M289 HydrophobicContact CG2-CB 4.01Å; T220-M289 WeakPolarHBondContact O-CB 3.14Å; T220-M289 PolarHBondContact O-N 3.24Å
221G94.3Very high96.2Very high2 Ų217 Ų172%0.02110%0.098CC..SBendtrans-112.8-175168.900000111.7G219 E283 S287G219-G221 VanDerWaalsContact C-N 3.29Å; G219-G221 CarbonylContact C-O 3.52Å; G219-G221 PolarHBondContact N-O 3.27Å; G219-G221 PolarHBondContact O-N 3.38Å; G221-E283 WeakPolarHBondContact CA-OE2 3.37Å; G221-S287 VanDerWaalsContact CA-CB 3.47Å
222T97.2Very high96.2Very high2 Ų217 Ų171%0.01210%0.098CC..EExtended strand (participates in β ladder)trans-138133.7165.8-176.10000111.5I217 W250 Y282 E283 V286I217-T222 WeakPolarHBondContact O-CA 3.39Å; I217-T222 WeakPolarHBondContact O-CB 3.48Å; I217-T222 PolarHBondContact O-OG1 3.36Å; T222-W250 PolarHBondContact O-NE1 3.49Å; T222-W250 PolarHBondContact OG1-NE1 3.44Å; T222-Y282 HydrophobicContact CG2-CD1 4.45Å; T222-E283 HydrophobicContact CG2-CB 4.14Å; T222-E283 HydrophobicContact CG2-CG 4.24Å; T222-E283 PolarHBondContact N-OE2 3.4Å; T222-V286 HydrophobicContact CG2-CB 3.81Å; T222-V286 HydrophobicContact CG2-CG1 3.81Å
223N97.7Very high96.2Very high4 Ų417.4 Ų17.42%0.02110%0.1CC..EExtended strand (participates in β ladder)trans-150.6163.8176.5-166.220.7000109.6N196 T198 I217 N247 E249 W250N196-N223 PolarHBondContact OD1-ND2 3.32Å; T198-N223 HydrophobicContact CG2-CB 3.52Å; T198-N223 WeakPolarHBondContact CG2-O 3.3Å; I217-N223 PolarHBondContact N-O 3.05Å; I217-N223 PolarHBondContact O-N 3.31Å; N223-N247 PolarHBondContact ND2-OD1 3.48Å; N223-E249 PolarHBondContact ND2-OE1 2.86Å; N223-E249 VanDerWaalsContact OD1-CA 3.26Å; N223-E249 WeakPolarHBondContact OD1-CA 3.36Å; N223-E249 PolarHBondContact OD1-N 3.43Å; N223-E249 VanDerWaalsContact OD1-N 3.14Å; N223-W250 VanDerWaalsContact CA-CD1 3.44Å; N223-W250 PolarHBondContact OD1-N 3.33Å
224V98.4Very high96.2Very high0 Ų021.5 Ų21.50%012%0.12CC..EExtended strand (participates in β ladder)trans-139142.4172.373.10000111.5V214 G215 L216 T248 W250 I382 I385V214-V224 HydrophobicContact CG1-CG2 3.42Å; V214-V224 VanDerWaalsContact CG1-CG2 3.42Å; G215-V224 CarbonylContact O-C 3.55Å; G215-V224 WeakPolarHBondContact O-CA 3.44Å; G215-V224 WeakPolarHBondContact O-CG2 3.38Å; L216-V224 HydrophobicContact CD1-CB 4.38Å; L216-V224 HydrophobicContact CD1-CG2 4.49Å; V224-T248 HydrophobicContact CG1-CG2 3.7Å; V224-T248 WeakPolarHBondContact CG1-OG1 3.26Å; V224-T248 WeakPolarHBondContact O-CB 3.47Å; V224-T248 WeakPolarHBondContact O-CG2 3.35Å; V224-T248 PolarHBondContact O-N 3.46Å; V224-T248 PolarHBondContact O-OG1 3.35Å; V224-W250 HydrophobicContact CB-CD2 4.04Å; V224-W250 HydrophobicContact CB-CE3 4.02Å; V224-W250 HydrophobicContact CB-CH2 3.87Å; V224-W250 HydrophobicContact CB-CZ2 3.92Å; V224-W250 HydrophobicContact CB-CZ3 3.91Å; V224-W250 HydrophobicContact CG1-CD2 3.48Å; V224-W250 VanDerWaalsContact CG1-CD2 3.48Å; V224-W250 HydrophobicContact CG1-CE3 3.25Å; V224-W250 HydrophobicContact CG1-CG 4.08Å; V224-W250 HydrophobicContact CG1-CH2 4.01Å; V224-W250 HydrophobicContact CG1-CZ2 4.23Å; V224-W250 HydrophobicContact CG1-CZ3 3.51Å; V224-W250 HydrophobicContact CG2-CH2 4.44Å; V224-W250 HydrophobicContact CG2-CZ3 4.48Å; V224-I382 HydrophobicContact CG2-CD1 4.16Å; V224-I385 HydrophobicContact CG1-CD1 4.01Å; V224-I385 HydrophobicContact CG1-CG1 4.15Å; V224-I385 HydrophobicContact CG2-CG1 4.33Å
225A98.4Very high95.9Very high0 Ų023.7 Ų23.70%013%0.131CC..EExtended strand (participates in β ladder)trans-119.1151164.700000110.3T198 V199 V214 G215 V245 I246T198-A225 VanDerWaalsContact OG1-CB 3.26Å; T198-A225 WeakPolarHBondContact OG1-CB 3.12Å; V199-A225 HydrophobicContact CG2-CB 3.82Å; V214-A225 CarbonylContact C-O 3.56Å; V214-A225 WeakPolarHBondContact CA-O 3.5Å; G215-A225 PolarHBondContact N-O 3.17Å; G215-A225 PolarHBondContact O-N 2.72Å; A225-V245 HydrophobicContact CB-CG1 3.92Å; A225-I246 CarbonylContact C-O 3.57Å; A225-I246 WeakPolarHBondContact CA-O 3.47Å; A225-I246 WeakPolarHBondContact CB-O 3.45Å
226Y98.3Very high95.5Very high0 Ų024.5 Ų24.50%014%0.135CC..EExtended strand (participates in β ladder)trans-151163177.777-74.9000112.3M37 M53 A213 E228 V245 I246 T248 I385 R388 I389M37-Y226 HydrophobicContact CE-CD1 4.32Å; M37-Y226 HydrophobicContact CE-CE1 3.58Å; M53-Y226 HydrophobicContact CE-CE1 3.72Å; M53-Y226 WeakPolarHBondContact CE-OH 3.35Å; A213-Y226 CarbonylContact O-C 3.51Å; A213-Y226 WeakPolarHBondContact O-CA 3.32Å; A213-Y226 WeakPolarHBondContact O-CB 3.13Å; Y226-E228 HydrophobicContact CD2-CB 4.44Å; Y226-E228 HydrophobicContact CE2-CB 3.64Å; Y226-E228 HydrophobicContact CE2-CG 4.17Å; Y226-E228 WeakPolarHBondContact CE2-OE2 3.28Å; Y226-E228 PolarHBondContact OH-OE2 3.45Å; Y226-V245 CarbonylContact O-C 3.58Å; Y226-V245 WeakPolarHBondContact O-CA 3.31Å; Y226-I246 HydrophobicContact CD1-CB 4.32Å; Y226-I246 HydrophobicContact CE1-CB 3.88Å; Y226-I246 HydrophobicContact CE1-CG2 4.1Å; Y226-I246 PolarHBondContact N-O 2.87Å; Y226-I246 PolarHBondContact O-N 3.25Å; Y226-T248 HydrophobicContact CD1-CG2 3.81Å; Y226-T248 HydrophobicContact CE1-CG2 3.82Å; Y226-I385 HydrophobicContact CD1-CD1 4.14Å; Y226-I385 HydrophobicContact CD2-CG2 4.38Å; Y226-I385 HydrophobicContact CG-CG2 3.99Å; Y226-R388 HydrophobicContact CE2-CG 4.4Å; Y226-R388 WeakPolarHBondContact OH-CD 3.35Å; Y226-R388 PolarHBondContact OH-NE 2.89Å; Y226-R388 VanDerWaalsContact OH-NE 3.08Å; Y226-I389 HydrophobicContact CD2-CD1 4.02Å; Y226-I389 HydrophobicContact CD2-CG1 3.65Å; Y226-I389 HydrophobicContact CE2-CG1 4.34Å; Y226-I389 HydrophobicContact CG-CD1 4.45Å
227I97.2Very high94.8Very high13 Ų1330.4 Ų30.47%0.06717%0.167CC..EExtended strand (participates in β ladder)trans-81.8119.5175-55.5177.5000109.6T61 L202 A213 E243 V245T61-I227 HydrophobicContact CG2-CD1 4.08Å; L202-I227 HydrophobicContact CD1-CG1 4.22Å; L202-I227 HydrophobicContact CD2-CG1 4.39Å; A213-I227 HydrophobicContact CB-CD1 4.19Å; A213-I227 HydrophobicContact CB-CG1 4.4Å; A213-I227 PolarHBondContact O-N 2.96Å; I227-E243 HydrophobicContact CG2-CB 3.71Å; I227-E243 HydrophobicContact CG2-CG 4.07Å; I227-V245 HydrophobicContact CG1-CG2 4.27Å
228E96.9Very high94.1Very high4 Ų433.5 Ų33.52%0.01920%0.201CC..EExtended strand (participates in β ladder)trans-112.8154.3175.8-174.458.5-86.600111.2L41 Y226 S230 K232 V233 E243 V244 I246 R388L41-E228 HydrophobicContact CD1-CG 4.16Å; Y226-E228 HydrophobicContact CD2-CB 4.44Å; Y226-E228 HydrophobicContact CE2-CB 3.64Å; Y226-E228 HydrophobicContact CE2-CG 4.17Å; Y226-E228 WeakPolarHBondContact CE2-OE2 3.28Å; Y226-E228 PolarHBondContact OH-OE2 3.45Å; E228-S230 PolarHBondContact O-N 3.08Å; E228-K232 IonicContact OE1-NZ 2.72Å; E228-K232 PolarHBondContact OE1-NZ 3.32Å; E228-K232 VanDerWaalsContact OE1-NZ 3.08Å; E228-V233 HydrophobicContact CB-CG2 4.38Å; E228-V233 HydrophobicContact CG-CG2 3.89Å; E228-E243 VanDerWaalsContact O-CA 3.29Å; E228-E243 WeakPolarHBondContact O-CA 3.42Å; E228-V244 PolarHBondContact N-O 2.67Å; E228-V244 PolarHBondContact O-N 2.81Å; E228-I246 HydrophobicContact CB-CG1 3.65Å; E228-I246 HydrophobicContact CG-CG1 4.36Å; E228-R388 WeakPolarHBondContact OE2-CD 3.42Å; E228-R388 IonicContact OE2-CZ 2.71Å; E228-R388 IonicContact OE2-NE 3.66Å; E228-R388 PolarHBondContact OE2-NE 3.26Å; E228-R388 IonicContact OE2-NH2 2.7Å
229D95.1Very high93.3Very high64 Ų6435.5 Ų35.534%0.34221%0.214SC..EExtended strand (participates in β ladder)trans-68.3118.6168.5-179.2-21.2000110.2S231 K232D229-S231 PolarHBondContact O-N 3.21Å; D229-S231 VanDerWaalsContact O-N 3.07Å; D229-S231 VanDerWaalsContact OD1-CB 3.23Å; D229-S231 WeakPolarHBondContact OD1-CB 3.36Å; D229-S231 PolarHBondContact OD1-N 2.99Å; D229-S231 PolarHBondContact OD1-OG 3.44Å; D229-S231 PolarHBondContact OD2-OG 2.7Å; D229-K232 HydrophobicContact CB-CD 4.27Å; D229-K232 HydrophobicContact CB-CG 4.27Å; D229-K232 PolarHBondContact O-N 2.88Å
230S94.9Very high93Very high21 Ų2144.7 Ų44.715%0.14725%0.253CS..G310 helixtrans-56-27.8-178.9-62.30000113E228 K232 V233 E241 P242 E243E228-S230 PolarHBondContact O-N 3.08Å; S230-K232 PolarHBondContact O-N 3.25Å; S230-V233 PolarHBondContact O-N 3.13Å; S230-V233 VanDerWaalsContact O-N 3.11Å; S230-E241 WeakPolarHBondContact CB-O 3.45Å; S230-E241 PolarHBondContact OG-O 3.2Å; S230-P242 PolarHBondContact N-O 3.09Å; S230-P242 PolarHBondContact OG-O 3.32Å; S230-E243 PolarHBondContact OG-N 2.99Å
231S93.6Very high93Very high97 Ų9746.1 Ų46.168%0.67826%0.257SS*.G310 helixtrans-65.4-19177.971.50000113.7D229D229-S231 PolarHBondContact O-N 3.21Å; D229-S231 VanDerWaalsContact O-N 3.07Å; D229-S231 VanDerWaalsContact OD1-CB 3.23Å; D229-S231 WeakPolarHBondContact OD1-CB 3.36Å; D229-S231 PolarHBondContact OD1-N 2.99Å; D229-S231 PolarHBondContact OD1-OG 3.44Å; D229-S231 PolarHBondContact OD2-OG 2.7Å
232K94.3Very high93Very high95 Ų9550.8 Ų50.841%0.41329%0.287SS..G310 helixtrans-94.2-6.6176.9-56.1-179.5-158.11500113.1E228 D229 S230E228-K232 IonicContact OE1-NZ 2.72Å; E228-K232 PolarHBondContact OE1-NZ 3.32Å; E228-K232 VanDerWaalsContact OE1-NZ 3.08Å; D229-K232 HydrophobicContact CB-CD 4.27Å; D229-K232 HydrophobicContact CB-CG 4.27Å; D229-K232 PolarHBondContact O-N 2.88Å; S230-K232 PolarHBondContact O-N 3.25Å
233V95.6Very high92.9Very high9 Ų954.6 Ų54.66%0.05530%0.304CS..  trans-100.293.2-174.5-173.90000108.8L41 P55 E228 S230 L235 M236 V244 I246L41-V233 HydrophobicContact CD2-CB 4.44Å; L41-V233 HydrophobicContact CD2-CG1 4.18Å; L41-V233 HydrophobicContact CD2-CG2 4.03Å; P55-V233 HydrophobicContact CB-CG1 4.47Å; P55-V233 HydrophobicContact CG-CG1 3.89Å; E228-V233 HydrophobicContact CB-CG2 4.38Å; E228-V233 HydrophobicContact CG-CG2 3.89Å; S230-V233 PolarHBondContact O-N 3.13Å; S230-V233 VanDerWaalsContact O-N 3.11Å; V233-L235 HydrophobicContact CG1-CB 4.38Å; V233-L235 PolarHBondContact O-N 2.94Å; V233-M236 HydrophobicContact CG1-CG 4.05Å; V233-M236 HydrophobicContact CG1-SD 4.29Å; V233-V244 HydrophobicContact CG2-CG1 3.85Å; V233-I246 HydrophobicContact CG1-CD1 4.04Å; V233-I246 HydrophobicContact CG2-CD1 3.95Å; V233-I246 HydrophobicContact CG2-CG1 4.43Å
234E95Very high92.8Very high87 Ų8754.4 Ų54.441%0.40730%0.303SS..THydrogen-bonded Turntrans-74.4-14.9178.5-58.5178.6-179.400111.7L41 Q42 K43 M236L41-E234 WeakPolarHBondContact O-CB 3.5Å; L41-E234 PolarHBondContact O-N 3.48Å; Q42-E234 VanDerWaalsContact CA-OE2 3.32Å; Q42-E234 WeakPolarHBondContact CA-OE2 3.32Å; K43-E234 WeakPolarHBondContact CE-O 3.16Å; K43-E234 HydrophobicContact CG-CB 3.93Å; K43-E234 WeakPolarHBondContact CG-O 3.3Å; K43-E234 PolarHBondContact N-OE2 2.97Å; E234-M236 PolarHBondContact O-N 2.95Å
235L93.2Very high92.7Very high45 Ų4554.6 Ų54.624%0.23630%0.304CS..THydrogen-bonded Turntrans-73.5-8-174.2-58.4-177.8000115G40 K43 N46 P55 V233G40-L235 WeakPolarHBondContact O-CD1 3.44Å; K43-L235 HydrophobicContact CG-CD2 4.42Å; N46-L235 HydrophobicContact CB-CD2 4.16Å; P55-L235 HydrophobicContact CG-CB 3.8Å; P55-L235 HydrophobicContact CG-CD1 4.35Å; V233-L235 HydrophobicContact CG1-CB 4.38Å; V233-L235 PolarHBondContact O-N 2.94Å
236M89.8Confident92.7Very high18 Ų1854.6 Ų54.69%0.08930%0.304CS..  trans-115.3132.4-179.9-57.4179.183.900110.6P55 Y57 V233 E234 V239 V244P55-M236 HydrophobicContact CB-CE 4.06Å; P55-M236 HydrophobicContact CB-CG 3.45Å; P55-M236 VanDerWaalsContact CB-CG 3.45Å; P55-M236 HydrophobicContact CB-SD 3.32Å; P55-M236 WeakPolarHBondContact CB-SD 3.49Å; P55-M236 HydrophobicContact CG-CG 3.49Å; P55-M236 VanDerWaalsContact CG-CG 3.49Å; P55-M236 HydrophobicContact CG-SD 4.01Å; Y57-M236 HydrophobicContact CD1-CE 3.32Å; Y57-M236 HydrophobicContact CD2-CE 3.75Å; Y57-M236 HydrophobicContact CE1-CE 3.43Å; Y57-M236 VanDerWaalsContact CE1-CE 3.43Å; Y57-M236 HydrophobicContact CE2-CE 3.81Å; Y57-M236 HydrophobicContact CG-CE 3.49Å; Y57-M236 VanDerWaalsContact CG-CE 3.49Å; V233-M236 HydrophobicContact CG1-CG 4.05Å; V233-M236 HydrophobicContact CG1-SD 4.29Å; E234-M236 PolarHBondContact O-N 2.95Å; M236-V239 HydrophobicContact CB-CG2 3.7Å; M236-V239 HydrophobicContact CE-CG2 3.41Å; M236-V239 VanDerWaalsContact CE-CG2 3.41Å; M236-V239 HydrophobicContact CG-CG2 4.38Å; M236-V239 HydrophobicContact SD-CG2 3.86Å; M236-V244 HydrophobicContact CE-CG2 4.16Å; M236-V244 HydrophobicContact SD-CB 4.36Å; M236-V244 HydrophobicContact SD-CG1 4.17Å; M236-V244 HydrophobicContact SD-CG2 3.8Å
237D83.1Confident92.7Very high124 Ų12454.7 Ų54.766%0.66331%0.305SS*.SBendtrans-96.2135.3172.2-62.8-44.9000110.2K43 V239K43-D237 IonicContact NZ-OD1 2.7Å; K43-D237 PolarHBondContact NZ-OD1 2.88Å; K43-D237 IonicContact NZ-OD2 3.73Å; D237-V239 PolarHBondContact O-N 2.87Å
238G81.4Confident92.7Very high77 Ų7754.1 Ų54.179%0.79430%0.302SS*.SBendtrans77.68.6166.800000117.3
239V80.5Confident92.7Very high43 Ų4354.5 Ų54.526%0.26130%0.304SS..  trans-71.2130.8173.7179.90000109.8T59 M236 D237 E241T59-V239 HydrophobicContact CG2-CG1 4.02Å; M236-V239 HydrophobicContact CB-CG2 3.7Å; M236-V239 HydrophobicContact CE-CG2 3.41Å; M236-V239 VanDerWaalsContact CE-CG2 3.41Å; M236-V239 HydrophobicContact CG-CG2 4.38Å; M236-V239 HydrophobicContact SD-CG2 3.86Å; D237-V239 PolarHBondContact O-N 2.87Å; V239-E241 HydrophobicContact CG1-CB 4.33Å
240K86.9Confident92.9Very high195 Ų19551.6 Ų51.685%0.84829%0.288SS*.  trans-107.5-18.8-178.8-64.5-176.9-177.9177.70112.6
241E91.6Very high93Very high68 Ų6850.6 Ų50.632%0.31828%0.281SS..SBendtrans-68.3140.2179.4-67.375.9-170.300110.3T59 S230 V239 E243T59-E241 HydrophobicContact CG2-CB 3.94Å; T59-E241 HydrophobicContact CG2-CG 4.22Å; S230-E241 WeakPolarHBondContact CB-O 3.45Å; S230-E241 PolarHBondContact OG-O 3.2Å; V239-E241 HydrophobicContact CG1-CB 4.33Å; E241-E243 PolarHBondContact O-N 2.92Å
242P93.9Very high93.2Very high100 Ų10046 Ų4665%0.64925%0.25SC*.SBendtrans-68.9-22.3-174.728.3-35.9000113.1S230S230-P242 PolarHBondContact N-O 3.09Å; S230-P242 PolarHBondContact OG-O 3.32Å
243E94.9Very high93.4Very high82 Ų8241.5 Ų41.538%0.38323%0.23SC..EExtended strand (participates in β ladder)trans-133.3149-174.7-62.3-170.7142.800111.3T59 I227 E228 S230 E241 R391T59-E243 WeakPolarHBondContact CA-O 3.36Å; T59-E243 WeakPolarHBondContact CB-O 3.31Å; I227-E243 HydrophobicContact CG2-CB 3.71Å; I227-E243 HydrophobicContact CG2-CG 4.07Å; E228-E243 VanDerWaalsContact O-CA 3.29Å; E228-E243 WeakPolarHBondContact O-CA 3.42Å; S230-E243 PolarHBondContact OG-N 2.99Å; E241-E243 PolarHBondContact O-N 2.92Å; E243-R391 IonicContact OE1-CZ 2.78Å; E243-R391 IonicContact OE1-NH2 2.64Å; E243-R391 PolarHBondContact OE1-NH2 2.96Å; E243-R391 IonicContact OE2-NH2 3.72Å; E243-R391 PolarHBondContact OE2-NH2 3.38Å
244V95.7Very high93.5Very high1 Ų141.1 Ų41.11%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-143.2143.3174.162.70000110.4T59 E228 V233 M236 I246T59-V244 HydrophobicContact CG2-CB 4.26Å; T59-V244 HydrophobicContact CG2-CG2 4.19Å; E228-V244 PolarHBondContact N-O 2.67Å; E228-V244 PolarHBondContact O-N 2.81Å; V233-V244 HydrophobicContact CG2-CG1 3.85Å; M236-V244 HydrophobicContact CE-CG2 4.16Å; M236-V244 HydrophobicContact SD-CB 4.36Å; M236-V244 HydrophobicContact SD-CG1 4.17Å; M236-V244 HydrophobicContact SD-CG2 3.8Å; V244-I246 HydrophobicContact CG1-CD1 3.93Å; V244-I246 HydrophobicContact CG1-CG1 4.5Å; V244-I246 PolarHBondContact O-N 3.22Å
245V97Very high93.6Very high3 Ų338.9 Ų38.92%0.01822%0.217CC..EExtended strand (participates in β ladder)trans-77.6123.2172.2-178.10000109.7S56 V58 T61 V199 L202 A225 Y226 I227S56-V245 WeakPolarHBondContact CB-O 3.35Å; S56-V245 PolarHBondContact N-O 3.38Å; S56-V245 WeakPolarHBondContact OG-CB 3.3Å; S56-V245 PolarHBondContact OG-O 3.41Å; V58-V245 HydrophobicContact CB-CB 4.31Å; V58-V245 HydrophobicContact CB-CG2 4.33Å; V58-V245 HydrophobicContact CG1-CG2 4.26Å; V58-V245 PolarHBondContact O-N 2.95Å; T61-V245 HydrophobicContact CG2-CG2 4.33Å; V199-V245 HydrophobicContact CB-CG1 4.43Å; V199-V245 HydrophobicContact CG1-CG1 4.08Å; V199-V245 HydrophobicContact CG2-CG1 3.94Å; L202-V245 HydrophobicContact CD1-CG1 3.99Å; L202-V245 HydrophobicContact CD1-CG2 4.4Å; L202-V245 HydrophobicContact CD2-CG2 4.23Å; A225-V245 HydrophobicContact CB-CG1 3.92Å; Y226-V245 CarbonylContact O-C 3.58Å; Y226-V245 WeakPolarHBondContact O-CA 3.31Å; I227-V245 HydrophobicContact CG1-CG2 4.27Å
246I98Very high93.8Very high0 Ų043 Ų430%023%0.233CC..EExtended strand (participates in β ladder)trans-100.1126.3175-60.2-57.9000109.3L41 M53 P55 A225 Y226 E228 V233 V244L41-I246 HydrophobicContact CD2-CD1 4.18Å; L41-I246 HydrophobicContact CD2-CG1 4.29Å; L41-I246 HydrophobicContact CD2-CG2 4.5Å; M53-I246 HydrophobicContact CB-CG2 3.93Å; M53-I246 HydrophobicContact CE-CG2 3.93Å; M53-I246 HydrophobicContact SD-CG2 4.19Å; P55-I246 HydrophobicContact CB-CD1 4Å; P55-I246 HydrophobicContact CG-CD1 4.26Å; A225-I246 CarbonylContact C-O 3.57Å; A225-I246 WeakPolarHBondContact CA-O 3.47Å; A225-I246 WeakPolarHBondContact CB-O 3.45Å; Y226-I246 HydrophobicContact CD1-CB 4.32Å; Y226-I246 HydrophobicContact CE1-CB 3.88Å; Y226-I246 HydrophobicContact CE1-CG2 4.1Å; Y226-I246 PolarHBondContact N-O 2.87Å; Y226-I246 PolarHBondContact O-N 3.25Å; E228-I246 HydrophobicContact CB-CG1 3.65Å; E228-I246 HydrophobicContact CG-CG1 4.36Å; V233-I246 HydrophobicContact CG1-CD1 4.04Å; V233-I246 HydrophobicContact CG2-CD1 3.95Å; V233-I246 HydrophobicContact CG2-CG1 4.43Å; V244-I246 HydrophobicContact CG1-CD1 3.93Å; V244-I246 HydrophobicContact CG1-CG1 4.5Å; V244-I246 PolarHBondContact O-N 3.22Å
247N98Very high94.2Very high3 Ų343.2 Ų43.22%0.01624%0.241CC..EExtended strand (participates in β ladder)trans-85.8112.5163.9173.413000108.4M53 F54 N196 V199 N223 E249M53-N247 CarbonylContact C-O 3.59Å; F54-N247 PolarHBondContact N-O 2.94Å; F54-N247 PolarHBondContact O-N 2.79Å; N196-N247 WeakPolarHBondContact CB-ND2 3.48Å; V199-N247 HydrophobicContact CG2-CB 4.32Å; N223-N247 PolarHBondContact ND2-OD1 3.48Å; N247-E249 PolarHBondContact ND2-OE1 3.49Å; N247-E249 PolarHBondContact O-N 3.31Å; N247-E249 PolarHBondContact OD1-N 3.01Å; N247-E249 PolarHBondContact OD1-OE1 2.81Å
248T98.3Very high94.9Very high1 Ų138.6 Ų38.61%0.00622%0.215CC..  trans-71.6-33.5-17162.40000113.3M37 I51 K52 M53 V224 Y226 W250 I385M37-T248 HydrophobicContact CE-CG2 4.13Å; I51-T248 WeakPolarHBondContact CG2-O 3.4Å; K52-T248 PolarHBondContact N-O 2.92Å; M53-T248 PolarHBondContact N-O 2.68Å; M53-T248 VanDerWaalsContact N-O 3.14Å; M53-T248 HydrophobicContact SD-CG2 3.88Å; V224-T248 HydrophobicContact CG1-CG2 3.7Å; V224-T248 WeakPolarHBondContact CG1-OG1 3.26Å; V224-T248 WeakPolarHBondContact O-CB 3.47Å; V224-T248 WeakPolarHBondContact O-CG2 3.35Å; V224-T248 PolarHBondContact O-N 3.46Å; V224-T248 PolarHBondContact O-OG1 3.35Å; Y226-T248 HydrophobicContact CD1-CG2 3.81Å; Y226-T248 HydrophobicContact CE1-CG2 3.82Å; T248-W250 PolarHBondContact O-N 3.22Å; T248-W250 PolarHBondContact OG1-N 3.04Å; T248-I385 HydrophobicContact CG2-CD1 4.33Å
249E96.9Very high95.7Very high12 Ų1234.9 Ų34.96%0.05618%0.177CC..  trans51.843.1-164.5-63.8-61.4160.500112.2F54 P146 N223 N247 G251 A252F54-E249 HydrophobicContact CD2-CB 4.44Å; F54-E249 HydrophobicContact CD2-CG 3.57Å; F54-E249 HydrophobicContact CE2-CB 4.48Å; F54-E249 HydrophobicContact CE2-CG 3.85Å; P146-E249 WeakPolarHBondContact CA-OE1 3.36Å; P146-E249 HydrophobicContact CB-CG 4.09Å; P146-E249 WeakPolarHBondContact CG-OE2 3.29Å; N223-E249 PolarHBondContact ND2-OE1 2.86Å; N223-E249 VanDerWaalsContact OD1-CA 3.26Å; N223-E249 WeakPolarHBondContact OD1-CA 3.36Å; N223-E249 PolarHBondContact OD1-N 3.43Å; N223-E249 VanDerWaalsContact OD1-N 3.14Å; N247-E249 PolarHBondContact ND2-OE1 3.49Å; N247-E249 PolarHBondContact O-N 3.31Å; N247-E249 PolarHBondContact OD1-N 3.01Å; N247-E249 PolarHBondContact OD1-OE1 2.81Å; E249-G251 PolarHBondContact O-N 3.47Å; E249-A252 PolarHBondContact O-N 2.64Å
250W98.2Very high96.5Very high2 Ų236.9 Ų36.91%0.00819%0.186CC..G310 helixtrans-63.6-10.9-176.674.5-3.9000114.2M33 I51 L216 T222 N223 V224 T248 A252 F253 Y282 I382 I385M33-W250 HydrophobicContact CE-CE3 4.49Å; M33-W250 HydrophobicContact SD-CE3 3.99Å; I51-W250 HydrophobicContact CD1-CB 4.4Å; L216-W250 HydrophobicContact CD1-CH2 3.57Å; L216-W250 HydrophobicContact CD1-CZ2 3.35Å; T222-W250 PolarHBondContact O-NE1 3.49Å; T222-W250 PolarHBondContact OG1-NE1 3.44Å; N223-W250 VanDerWaalsContact CA-CD1 3.44Å; N223-W250 PolarHBondContact OD1-N 3.33Å; V224-W250 HydrophobicContact CB-CD2 4.04Å; V224-W250 HydrophobicContact CB-CE3 4.02Å; V224-W250 HydrophobicContact CB-CH2 3.87Å; V224-W250 HydrophobicContact CB-CZ2 3.92Å; V224-W250 HydrophobicContact CB-CZ3 3.91Å; V224-W250 HydrophobicContact CG1-CD2 3.48Å; V224-W250 VanDerWaalsContact CG1-CD2 3.48Å; V224-W250 HydrophobicContact CG1-CE3 3.25Å; V224-W250 HydrophobicContact CG1-CG 4.08Å; V224-W250 HydrophobicContact CG1-CH2 4.01Å; V224-W250 HydrophobicContact CG1-CZ2 4.23Å; V224-W250 HydrophobicContact CG1-CZ3 3.51Å; V224-W250 HydrophobicContact CG2-CH2 4.44Å; V224-W250 HydrophobicContact CG2-CZ3 4.48Å; T248-W250 PolarHBondContact O-N 3.22Å; T248-W250 PolarHBondContact OG1-N 3.04Å; W250-A252 PolarHBondContact O-N 3.47Å; W250-F253 WeakPolarHBondContact O-CB 3.29Å; W250-F253 PolarHBondContact O-N 3.46Å; W250-Y282 HydrophobicContact CD2-CE1 4Å; W250-Y282 AromaticContact CE2-CE1 3.97Å; W250-Y282 HydrophobicContact CG-CD1 4.35Å; W250-Y282 HydrophobicContact CG-CE1 4.22Å; W250-Y282 HydrophobicContact CZ2-CE1 4.46Å; W250-I382 HydrophobicContact CH2-CD1 3.98Å; W250-I382 HydrophobicContact CH2-CG1 4.27Å; W250-I382 HydrophobicContact CZ3-CD1 4.4Å; W250-I385 HydrophobicContact CZ3-CG1 4.48Å
251G97.6Very high96.9Very high0 Ų032.2 Ų32.20%018%0.177CC..G310 helixtrans-62-27.4-179.300000111.6E249 F253 Q280 L281 Y282 E283E249-G251 PolarHBondContact O-N 3.47Å; G251-F253 VanDerWaalsContact C-N 3.3Å; G251-F253 PolarHBondContact O-N 2.81Å; G251-Q280 CarbonylContact O-C 3.54Å; G251-Q280 WeakPolarHBondContact O-CA 3.13Å; G251-L281 PolarHBondContact O-N 3.31Å; G251-Y282 PolarHBondContact O-N 3.18Å; G251-E283 PolarHBondContact O-N 2.8Å
252A97.4Very high97.2Very high2 Ų229.7 Ų29.72%0.01717%0.165CC..G310 helixtrans-76.8-8.4175.200000114.2S50 E249 W250 G254 E255S50-A252 WeakPolarHBondContact CB-O 3.26Å; S50-A252 WeakPolarHBondContact O-CB 3.18Å; E249-A252 PolarHBondContact O-N 2.64Å; W250-A252 PolarHBondContact O-N 3.47Å; A252-G254 PolarHBondContact O-N 3.39Å; A252-E255 HydrophobicContact CB-CG 4.48Å; A252-E255 WeakPolarHBondContact O-CB 3.39Å; A252-E255 VanDerWaalsContact O-CG 3.24Å; A252-E255 WeakPolarHBondContact O-CG 3.39Å; A252-E255 PolarHBondContact O-N 2.91Å; A252-E255 VanDerWaalsContact O-N 3.11Å
253F98.5Very high97.4Very high0 Ų026.4 Ų26.40%014%0.139CC..THydrogen-bonded Turntrans-55.2134.7179.6-179.7-120000111I29 R32 M33 I51 W250 G251 E258 L259 Y282I29-F253 HydrophobicContact CG2-CE1 4.15Å; R32-F253 HydrophobicContact CB-CE2 4.41Å; R32-F253 HydrophobicContact CB-CZ 3.96Å; M33-F253 HydrophobicContact CB-CE1 4.23Å; M33-F253 HydrophobicContact CB-CE2 4.24Å; M33-F253 HydrophobicContact CB-CZ 4.01Å; M33-F253 HydrophobicContact CE-CD1 3.62Å; M33-F253 HydrophobicContact CE-CE1 3.98Å; M33-F253 HydrophobicContact CE-CG 4.17Å; I51-F253 HydrophobicContact CD1-CB 3.98Å; I51-F253 HydrophobicContact CD1-CD2 3.85Å; I51-F253 HydrophobicContact CD1-CG 4.1Å; I51-F253 HydrophobicContact CG1-CB 3.95Å; I51-F253 HydrophobicContact CG1-CD2 4.11Å; I51-F253 HydrophobicContact CG1-CG 4.41Å; W250-F253 WeakPolarHBondContact O-CB 3.29Å; W250-F253 PolarHBondContact O-N 3.46Å; G251-F253 VanDerWaalsContact C-N 3.3Å; G251-F253 PolarHBondContact O-N 2.81Å; F253-E258 HydrophobicContact CD2-CB 4.16Å; F253-E258 HydrophobicContact CD2-CG 4.31Å; F253-E258 HydrophobicContact CE2-CB 3.44Å; F253-E258 VanDerWaalsContact CE2-CB 3.44Å; F253-E258 HydrophobicContact CE2-CG 3.75Å; F253-E258 HydrophobicContact CZ-CB 3.73Å; F253-L259 HydrophobicContact CD1-CD1 3.9Å; F253-L259 HydrophobicContact CD1-CD2 4.04Å; F253-L259 HydrophobicContact CD1-CG 3.97Å; F253-L259 HydrophobicContact CE1-CD1 4.25Å; F253-L259 HydrophobicContact CE1-CD2 3.53Å; F253-L259 HydrophobicContact CE1-CG 3.83Å; F253-L259 HydrophobicContact CZ-CD2 4.32Å; F253-L259 WeakPolarHBondContact O-CD1 3.29Å; F253-Y282 HydrophobicContact CB-CG 4.24Å; F253-Y282 AromaticContact CD1-CD2 3.84Å; F253-Y282 HydrophobicContact CD1-CD2 3.84Å; F253-Y282 HydrophobicContact CD1-CE2 4.42Å; F253-Y282 HydrophobicContact CD1-CG 4.26Å; F253-Y282 VanDerWaalsContact O-CB 3.29Å; F253-Y282 WeakPolarHBondContact O-CB 3.45Å; F253-Y282 PolarHBondContact O-N 3.2Å
254G98.1Very high97.6Very high1 Ų123 Ų231%0.0112%0.124CC..THydrogen-bonded Turntrans99.8-15.7-172.500000115A252 K256 G257 E258 L281A252-G254 PolarHBondContact O-N 3.39Å; G254-K256 PolarHBondContact O-N 3.39Å; G254-G257 PolarHBondContact O-N 3.16Å; G254-E258 WeakPolarHBondContact CA-OE2 3.49Å; G254-E258 PolarHBondContact N-OE2 2.66Å; G254-L281 WeakPolarHBondContact O-CD1 3.38Å
255E97.3Very high97.7Very high40 Ų4027.8 Ų27.819%0.18715%0.146CC..THydrogen-bonded Turntrans-60.3-13.7178.6-78.2-164.8-154.500114R159 A252 E258 G278 K279 Q280R159-E255 IonicContact CZ-OE1 2.68Å; R159-E255 IonicContact NH1-OE1 2.72Å; R159-E255 PolarHBondContact NH1-OE1 3.13Å; R159-E255 IonicContact NH1-OE2 3.44Å; R159-E255 PolarHBondContact NH1-OE2 3.26Å; R159-E255 IonicContact NH2-OE1 3.49Å; R159-E255 IonicContact NH2-OE2 2.84Å; A252-E255 HydrophobicContact CB-CG 4.48Å; A252-E255 WeakPolarHBondContact O-CB 3.39Å; A252-E255 VanDerWaalsContact O-CG 3.24Å; A252-E255 WeakPolarHBondContact O-CG 3.39Å; A252-E255 PolarHBondContact O-N 2.91Å; A252-E255 VanDerWaalsContact O-N 3.11Å; E255-E258 PolarHBondContact N-OE2 3.42Å; E255-G278 WeakPolarHBondContact CG-O 3.49Å; E255-K279 WeakPolarHBondContact OE1-CA 3.18Å; E255-K279 WeakPolarHBondContact OE2-CD 3.49Å; E255-K279 IonicContact OE2-NZ 2.88Å; E255-K279 PolarHBondContact OE2-NZ 3.35Å; E255-Q280 PolarHBondContact OE1-N 3.29Å; E255-Q280 VanDerWaalsContact OE1-N 3.11Å
256K97.1Very high97.8Very high130 Ų13027.9 Ų27.957%0.56515%0.146SC*.THydrogen-bonded Turntrans-111.917.1177.4-53.3-66.4-172.9178.90112.7K48 G254 E258K48-K256 WeakPolarHBondContact O-CE 3.4Å; K48-K256 WeakPolarHBondContact O-CG 3.34Å; G254-K256 PolarHBondContact O-N 3.39Å; K256-E258 VanDerWaalsContact CA-OE2 3.31Å; K256-E258 WeakPolarHBondContact CA-OE2 3.36Å; K256-E258 WeakPolarHBondContact CB-OE1 3.42Å; K256-E258 WeakPolarHBondContact CB-OE2 3.38Å; K256-E258 PolarHBondContact N-OE2 2.79Å
257G97.1Very high97.8Very high24 Ų2428 Ų2825%0.24715%0.147CC..SBendtrans89.36.8178.300000114.2G254 L259 D260G254-G257 PolarHBondContact O-N 3.16Å; G257-L259 PolarHBondContact O-N 2.97Å; G257-L259 VanDerWaalsContact O-N 3.13Å; G257-D260 VanDerWaalsContact CA-OD2 3.29Å; G257-D260 WeakPolarHBondContact CA-OD2 3.24Å; G257-D260 PolarHBondContact O-N 3.06Å
258E98Very high97.8Very high26 Ų2632.2 Ų32.212%0.12117%0.165CC..THydrogen-bonded Turntrans-61.2-27.3-177.5-55.195.5143.900112.6R32 S50 F253 G254 E255 K256 W262R32-E258 WeakPolarHBondContact CD-O 3.48Å; R32-E258 PolarHBondContact NH1-O 3.5Å; S50-E258 WeakPolarHBondContact CB-OE1 3.39Å; S50-E258 PolarHBondContact OG-OE1 2.66Å; F253-E258 HydrophobicContact CD2-CB 4.16Å; F253-E258 HydrophobicContact CD2-CG 4.31Å; F253-E258 HydrophobicContact CE2-CB 3.44Å; F253-E258 VanDerWaalsContact CE2-CB 3.44Å; F253-E258 HydrophobicContact CE2-CG 3.75Å; F253-E258 HydrophobicContact CZ-CB 3.73Å; G254-E258 WeakPolarHBondContact CA-OE2 3.49Å; G254-E258 PolarHBondContact N-OE2 2.66Å; E255-E258 PolarHBondContact N-OE2 3.42Å; K256-E258 VanDerWaalsContact CA-OE2 3.31Å; K256-E258 WeakPolarHBondContact CA-OE2 3.36Å; K256-E258 WeakPolarHBondContact CB-OE1 3.42Å; K256-E258 WeakPolarHBondContact CB-OE2 3.38Å; K256-E258 PolarHBondContact N-OE2 2.79Å; E258-W262 WeakPolarHBondContact O-CZ3 3.34Å
259L98Very high97.8Very high0 Ų034 Ų340%018%0.178CC..THydrogen-bonded Turntrans-105.22.3-177.1-69.9178.2000114.5I29 F253 G257 C261 W262 R263 Y282 M285I29-L259 HydrophobicContact CG1-CD2 4.29Å; I29-L259 HydrophobicContact CG2-CD2 4.41Å; F253-L259 HydrophobicContact CD1-CD1 3.9Å; F253-L259 HydrophobicContact CD1-CD2 4.04Å; F253-L259 HydrophobicContact CD1-CG 3.97Å; F253-L259 HydrophobicContact CE1-CD1 4.25Å; F253-L259 HydrophobicContact CE1-CD2 3.53Å; F253-L259 HydrophobicContact CE1-CG 3.83Å; F253-L259 HydrophobicContact CZ-CD2 4.32Å; F253-L259 WeakPolarHBondContact O-CD1 3.29Å; G257-L259 PolarHBondContact O-N 2.97Å; G257-L259 VanDerWaalsContact O-N 3.13Å; L259-C261 PolarHBondContact O-N 2.71Å; L259-C261 VanDerWaalsContact O-N 3.08Å; L259-W262 HydrophobicContact CD2-CE3 4.25Å; L259-W262 PolarHBondContact O-N 3.2Å; L259-R263 HydrophobicContact CB-CG 4.3Å; L259-R263 WeakPolarHBondContact O-CG 3.27Å; L259-R263 PolarHBondContact O-N 3.18Å; L259-R263 VanDerWaalsContact O-N 3.16Å; L259-Y282 HydrophobicContact CD1-CD2 4.1Å; L259-M285 HydrophobicContact CD1-SD 4.16Å
260D97.3Very high97.9Very high85 Ų8533.7 Ų33.746%0.45518%0.177SC..THydrogen-bonded Turntrans-57.5-33.3-168.4-78.1-13.6000114G257 W262G257-D260 VanDerWaalsContact CA-OD2 3.29Å; G257-D260 WeakPolarHBondContact CA-OD2 3.24Å; G257-D260 PolarHBondContact O-N 3.06Å; D260-W262 VanDerWaalsContact C-N 3.33Å; D260-W262 PolarHBondContact O-N 3.23Å
261C96.6Very high97.9Very high97 Ų9734 Ų3466%0.65518%0.179SC*.THydrogen-bonded Turntrans-68.9-26.9178.4-600000113.7L259L259-C261 PolarHBondContact O-N 2.71Å; L259-C261 VanDerWaalsContact O-N 3.08Å
262W98.2Very high97.9Very high15 Ų1539.6 Ų39.66%0.05721%0.207CC..THydrogen-bonded Turntrans-110.2-1.4-173-57.9-71000113.6L21 D25 E28 I29 E258 L259 D260 T264L21-W262 HydrophobicContact CD1-CB 4.04Å; L21-W262 HydrophobicContact CD1-CG 4.12Å; L21-W262 HydrophobicContact CD2-CB 4.48Å; L21-W262 HydrophobicContact CD2-CG 4.43Å; D25-W262 PolarHBondContact OD1-NE1 2.7Å; E28-W262 HydrophobicContact CB-CH2 4.06Å; E28-W262 HydrophobicContact CB-CZ2 4.05Å; E28-W262 HydrophobicContact CG-CH2 3.81Å; E28-W262 HydrophobicContact CG-CZ2 4.16Å; I29-W262 HydrophobicContact CD1-CB 4.43Å; I29-W262 HydrophobicContact CD1-CD2 3.82Å; I29-W262 HydrophobicContact CD1-CE3 4.01Å; I29-W262 HydrophobicContact CD1-CG 4.01Å; I29-W262 HydrophobicContact CG1-CD2 3.81Å; I29-W262 HydrophobicContact CG1-CE3 3.59Å; I29-W262 HydrophobicContact CG1-CH2 4Å; I29-W262 HydrophobicContact CG1-CZ2 4.22Å; I29-W262 HydrophobicContact CG1-CZ3 3.68Å; E258-W262 WeakPolarHBondContact O-CZ3 3.34Å; L259-W262 HydrophobicContact CD2-CE3 4.25Å; L259-W262 PolarHBondContact O-N 3.2Å; D260-W262 VanDerWaalsContact C-N 3.33Å; D260-W262 PolarHBondContact O-N 3.23Å; W262-T264 PolarHBondContact O-N 2.89Å
263R98.2Very high97.8Very high31 Ų3143.3 Ų43.312%0.11723%0.227CC..  trans-78.8116170.6-71.5-177.468.4-164.94.9110.1L259 D267 K268 D271 M285L259-R263 HydrophobicContact CB-CG 4.3Å; L259-R263 WeakPolarHBondContact O-CG 3.27Å; L259-R263 PolarHBondContact O-N 3.18Å; L259-R263 VanDerWaalsContact O-N 3.16Å; R263-D267 HydrophobicContact CB-CB 4.29Å; R263-D267 PolarHBondContact NH2-O 3.3Å; R263-K268 HydrophobicContact CB-CG 4.35Å; R263-K268 WeakPolarHBondContact O-CE 3.34Å; R263-D271 IonicContact CZ-OD2 2.65Å; R263-D271 IonicContact NH1-OD2 2.74Å; R263-D271 VanDerWaalsContact NH2-CG 3.31Å; R263-D271 IonicContact NH2-OD2 3.05Å; R263-D271 PolarHBondContact NH2-OD2 3.06Å; R263-M285 HydrophobicContact CG-SD 3.97Å
264T98.4Very high97.5Very high9 Ų943.8 Ų43.86%0.05523%0.23CC..  trans-69.8168.4174.174.60000111P18 F19 W262 F266 D267 K268P18-T264 HydrophobicContact CB-CG2 3.75Å; F19-T264 HydrophobicContact CD1-CG2 4.38Å; F19-T264 HydrophobicContact CD2-CG2 4.01Å; F19-T264 HydrophobicContact CE1-CG2 4.2Å; F19-T264 HydrophobicContact CE2-CG2 3.86Å; F19-T264 HydrophobicContact CG-CG2 4.26Å; F19-T264 HydrophobicContact CZ-CG2 3.93Å; W262-T264 PolarHBondContact O-N 2.89Å; T264-F266 PolarHBondContact O-N 3.4Å; T264-F266 PolarHBondContact OG1-N 2.67Å; T264-D267 WeakPolarHBondContact CA-OD2 3.35Å; T264-D267 VanDerWaalsContact CB-OD2 3.27Å; T264-D267 WeakPolarHBondContact CB-OD2 3.24Å; T264-D267 WeakPolarHBondContact CG2-OD2 3.28Å; T264-D267 PolarHBondContact N-OD2 2.91Å; T264-D267 PolarHBondContact O-N 3.45Å; T264-D267 PolarHBondContact OG1-N 2.98Å; T264-D267 PolarHBondContact OG1-OD2 3.28Å; T264-K268 WeakPolarHBondContact O-CG 3.44Å; T264-K268 PolarHBondContact O-N 3.24Å; T264-K268 VanDerWaalsContact O-N 3.13Å
265Q98.1Very high97.1Very high102 Ų10248.1 Ų48.148%0.47725%0.252SS..Hα-helixtrans-59.4-26.8171.565.7-178.9-4.800113S269Q265-S269 PolarHBondContact O-N 2.94Å; Q265-S269 PolarHBondContact O-OG 3.15Å; Q265-S269 VanDerWaalsContact O-OG 3.06Å
266F98.6Very high96.8Very high5 Ų549.1 Ų49.12%0.02226%0.257CS..Hα-helixtrans-77.4-39.7179-49.3-72000111.2I15 L16 F19 T264 K268 S269 M270 L294 I298 Y301I15-F266 HydrophobicContact CG2-CE2 4.23Å; I15-F266 HydrophobicContact CG2-CZ 3.86Å; L16-F266 HydrophobicContact CD2-CE2 4.15Å; F19-F266 AromaticContact CE2-CD2 3.55Å; F19-F266 HydrophobicContact CE2-CD2 3.55Å; F19-F266 HydrophobicContact CE2-CE2 4.03Å; F19-F266 HydrophobicContact CZ-CB 4.25Å; F19-F266 AromaticContact CZ-CD2 3.84Å; F19-F266 HydrophobicContact CZ-CD2 3.84Å; F19-F266 HydrophobicContact CZ-CG 4.45Å; T264-F266 PolarHBondContact O-N 3.4Å; T264-F266 PolarHBondContact OG1-N 2.67Å; F266-K268 PolarHBondContact O-N 2.79Å; F266-S269 WeakPolarHBondContact CA-OG 3.48Å; F266-S269 PolarHBondContact O-N 3.08Å; F266-S269 PolarHBondContact O-OG 3.37Å; F266-M270 WeakPolarHBondContact O-CB 3.16Å; F266-M270 PolarHBondContact O-N 3.06Å; F266-L294 VanDerWaalsContact C-CD1 3.46Å; F266-L294 HydrophobicContact CB-CD1 3.61Å; F266-I298 HydrophobicContact CB-CG1 4.09Å; F266-I298 HydrophobicContact CD1-CB 4.46Å; F266-I298 HydrophobicContact CD1-CG1 3.84Å; F266-I298 HydrophobicContact CD2-CG1 3.84Å; F266-I298 HydrophobicContact CE1-CG1 4.18Å; F266-I298 HydrophobicContact CE2-CG1 4.16Å; F266-I298 HydrophobicContact CG-CG1 3.63Å; F266-I298 HydrophobicContact CZ-CG1 4.31Å; F266-Y301 AromaticContact CE1-CD1 3.84Å; F266-Y301 HydrophobicContact CE1-CD1 3.84Å; F266-Y301 HydrophobicContact CE1-CD2 4.44Å; F266-Y301 AromaticContact CE1-CG 3.73Å; F266-Y301 HydrophobicContact CE1-CG 3.73Å; F266-Y301 AromaticContact CZ-CD1 3.86Å; F266-Y301 HydrophobicContact CZ-CD1 3.86Å; F266-Y301 HydrophobicContact CZ-CE1 4.35Å; F266-Y301 HydrophobicContact CZ-CG 4.23Å
267D98.6Very high96.7Very high2 Ų246.6 Ų46.61%0.01125%0.254CS..Hα-helixtrans-63.1-33.5173.1-56.9-68.1000111.7R263 T264 D271 L294 R373R263-D267 HydrophobicContact CB-CB 4.29Å; R263-D267 PolarHBondContact NH2-O 3.3Å; T264-D267 WeakPolarHBondContact CA-OD2 3.35Å; T264-D267 VanDerWaalsContact CB-OD2 3.27Å; T264-D267 WeakPolarHBondContact CB-OD2 3.24Å; T264-D267 WeakPolarHBondContact CG2-OD2 3.28Å; T264-D267 PolarHBondContact N-OD2 2.91Å; T264-D267 PolarHBondContact O-N 3.45Å; T264-D267 PolarHBondContact OG1-N 2.98Å; T264-D267 PolarHBondContact OG1-OD2 3.28Å; D267-D271 WeakPolarHBondContact O-CB 3.36Å; D267-D271 PolarHBondContact O-N 3.06Å; D267-L294 WeakPolarHBondContact OD1-CD2 3.13Å; D267-R373 IonicContact OD1-CZ 3.87Å; D267-R373 VanDerWaalsContact OD1-CZ 3.3Å; D267-R373 IonicContact OD1-NH1 2.89Å; D267-R373 PolarHBondContact OD1-NH1 3.11Å; D267-R373 IonicContact OD1-NH2 3.48Å; D267-R373 PolarHBondContact OD1-NH2 3.43Å; D267-R373 IonicContact OD2-CZ 3.98Å; D267-R373 IonicContact OD2-NH1 3.9Å; D267-R373 PolarHBondContact OD2-NH1 2.85Å; D267-R373 IonicContact OD2-NH2 3.99Å
268K98.4Very high96.7Very high92 Ų9247 Ų4740%0.426%0.258SS..Hα-helixtrans-73.1-46.5177.6-69.2172.9-175.8174.90111.5R263 T264 F266 D271 I272R263-K268 HydrophobicContact CB-CG 4.35Å; R263-K268 WeakPolarHBondContact O-CE 3.34Å; T264-K268 WeakPolarHBondContact O-CG 3.44Å; T264-K268 PolarHBondContact O-N 3.24Å; T264-K268 VanDerWaalsContact O-N 3.13Å; F266-K268 PolarHBondContact O-N 2.79Å; K268-D271 PolarHBondContact O-N 3.16Å; K268-I272 WeakPolarHBondContact O-CD1 3.39Å; K268-I272 VanDerWaalsContact O-CG1 3.27Å; K268-I272 WeakPolarHBondContact O-CG1 3.2Å; K268-I272 PolarHBondContact O-N 3.17Å
269S98Very high96.5Very high40 Ų4050 Ų5028%0.2827%0.27SS..Hα-helixtrans-65.9-45.8178.853.50000112.5Q265 F266 D271 I272 D273 H297Q265-S269 PolarHBondContact O-N 2.94Å; Q265-S269 PolarHBondContact O-OG 3.15Å; Q265-S269 VanDerWaalsContact O-OG 3.06Å; F266-S269 WeakPolarHBondContact CA-OG 3.48Å; F266-S269 PolarHBondContact O-N 3.08Å; F266-S269 PolarHBondContact O-OG 3.37Å; S269-D271 VanDerWaalsContact C-N 3.28Å; S269-D271 PolarHBondContact O-N 3.48Å; S269-I272 PolarHBondContact O-N 3.35Å; S269-D273 PolarHBondContact O-N 3.49Å; S269-D273 VanDerWaalsContact O-N 3.13Å; S269-H297 PolarHBondContact OG-ND1 2.81Å
270M97.9Very high96.4Very high5 Ų550.5 Ų50.53%0.02527%0.273CS..Hα-helixtrans-59.9-38.4175.6178.4-167.968.600112.3F266 D273 S274 K284 Y290 E293 L294 H297F266-M270 WeakPolarHBondContact O-CB 3.16Å; F266-M270 PolarHBondContact O-N 3.06Å; M270-D273 PolarHBondContact O-N 3.18Å; M270-S274 WeakPolarHBondContact O-CB 3.43Å; M270-S274 PolarHBondContact O-N 3.16Å; M270-S274 VanDerWaalsContact O-N 3.09Å; M270-K284 HydrophobicContact CE-CB 3.84Å; M270-K284 HydrophobicContact CE-CG 4.38Å; M270-Y290 VanDerWaalsContact SD-O 3.35Å; M270-E293 HydrophobicContact CG-CB 4.41Å; M270-E293 HydrophobicContact CG-CG 3.82Å; M270-E293 HydrophobicContact SD-CB 4.16Å; M270-E293 HydrophobicContact SD-CG 4.22Å; M270-L294 HydrophobicContact CE-CB 4.42Å; M270-L294 HydrophobicContact CE-CD1 4.46Å; M270-L294 HydrophobicContact SD-CB 3.71Å; M270-L294 HydrophobicContact SD-CD1 4.37Å; M270-H297 PolarHBondContact N-CE1 3.21Å
271D97.8Very high96.4Very high9 Ų946.8 Ų46.85%0.04825%0.253CS..Hα-helixtrans-66.7-43.7178174.245.2000112.4R263 D267 K268 S269 D273 S274 P277 G278 L281 K284R263-D271 IonicContact CZ-OD2 2.65Å; R263-D271 IonicContact NH1-OD2 2.74Å; R263-D271 VanDerWaalsContact NH2-CG 3.31Å; R263-D271 IonicContact NH2-OD2 3.05Å; R263-D271 PolarHBondContact NH2-OD2 3.06Å; D267-D271 WeakPolarHBondContact O-CB 3.36Å; D267-D271 PolarHBondContact O-N 3.06Å; K268-D271 PolarHBondContact O-N 3.16Å; S269-D271 VanDerWaalsContact C-N 3.28Å; S269-D271 PolarHBondContact O-N 3.48Å; D271-D273 VanDerWaalsContact C-N 3.25Å; D271-D273 PolarHBondContact O-N 3.04Å; D271-S274 VanDerWaalsContact O-CB 3.26Å; D271-S274 WeakPolarHBondContact O-CB 3.29Å; D271-S274 PolarHBondContact O-N 3.1Å; D271-S274 PolarHBondContact O-OG 3.48Å; D271-P277 WeakPolarHBondContact O-CA 3.43Å; D271-G278 PolarHBondContact OD1-N 2.79Å; D271-G278 PolarHBondContact OD2-N 3.35Å; D271-L281 HydrophobicContact CB-CD2 4.39Å; D271-L281 VanDerWaalsContact CG-CD2 3.49Å; D271-L281 WeakPolarHBondContact OD1-CD2 3.39Å; D271-L281 WeakPolarHBondContact OD2-CD2 3.3Å; D271-K284 HydrophobicContact CB-CD 4.44Å; D271-K284 IonicContact OD1-NZ 3.55Å; D271-K284 PolarHBondContact OD1-NZ 2.95Å
272I97.4Very high96.5Very high116 Ų11642.1 Ų42.160%0.59522%0.221SC*.Hα-helixtrans-57.4-42.1175.6-71.2163.5000110.8K268 S269 S274 P277K268-I272 WeakPolarHBondContact O-CD1 3.39Å; K268-I272 VanDerWaalsContact O-CG1 3.27Å; K268-I272 WeakPolarHBondContact O-CG1 3.2Å; K268-I272 PolarHBondContact O-N 3.17Å; S269-I272 PolarHBondContact O-N 3.35Å; I272-S274 VanDerWaalsContact C-N 3.27Å; I272-S274 PolarHBondContact O-N 3.18Å; I272-P277 WeakPolarHBondContact O-CG 3.1Å
273D95.4Very high96.5Very high81 Ų8141.6 Ų41.643%0.43322%0.22SC..THydrogen-bonded Turntrans-80.9-6.6-179.5-67.2-17.3000112.9S269 M270 D271 H297 R320S269-D273 PolarHBondContact O-N 3.49Å; S269-D273 VanDerWaalsContact O-N 3.13Å; M270-D273 PolarHBondContact O-N 3.18Å; D271-D273 VanDerWaalsContact C-N 3.25Å; D271-D273 PolarHBondContact O-N 3.04Å; D273-H297 IonicContact OD2-CE1 3.45Å; D273-H297 PolarHBondContact OD2-CE1 3.32Å; D273-H297 IonicContact OD2-NE2 3.91Å; D273-R320 PolarHBondContact O-NE 2.86Å; D273-R320 PolarHBondContact O-NH1 2.93Å; D273-R320 PolarHBondContact O-NH2 2.94Å
274S93.6Very high96.5Very high10 Ų1040.4 Ų40.47%0.0722%0.215CC..SBendtrans-70.1165.6-176.279.10000113.1M270 D271 I272 H276 P277 K284 R320M270-S274 WeakPolarHBondContact O-CB 3.43Å; M270-S274 PolarHBondContact O-N 3.16Å; M270-S274 VanDerWaalsContact O-N 3.09Å; D271-S274 VanDerWaalsContact O-CB 3.26Å; D271-S274 WeakPolarHBondContact O-CB 3.29Å; D271-S274 PolarHBondContact O-N 3.1Å; D271-S274 PolarHBondContact O-OG 3.48Å; I272-S274 VanDerWaalsContact C-N 3.27Å; I272-S274 PolarHBondContact O-N 3.18Å; S274-H276 PolarHBondContact O-N 3.05Å; S274-H276 PolarHBondContact OG-O 2.75Å; S274-P277 WeakPolarHBondContact O-CD 3.28Å; S274-K284 WeakPolarHBondContact OG-CE 3.37Å; S274-K284 PolarHBondContact OG-NZ 2.91Å; S274-R320 VanDerWaalsContact CA-NH2 3.33Å
275L89.1Confident96.5Very high92 Ų9240.1 Ų40.148%0.48221%0.213SC..SBendtrans-63.3-30.8176.4-176.563.4000112.3
276H90.6Very high96.5Very high61 Ų6135.2 Ų35.228%0.28219%0.191SC..SBendtrans-130.480.6-179.6-54.4-59.7000110.2S274 K279 K284S274-H276 PolarHBondContact O-N 3.05Å; S274-H276 PolarHBondContact OG-O 2.75Å; H276-K279 HydrophobicContact CB-CB 3.89Å; H276-K279 HydrophobicContact CB-CG 4.06Å; H276-K279 WeakPolarHBondContact O-CB 3.29Å; H276-K279 PolarHBondContact O-N 2.81Å; H276-K284 PolarHBondContact O-NZ 3.11Å
277P95.4Very high96.4Very high76 Ų7635 Ų3549%0.49419%0.189SC..THydrogen-bonded Turntrans-59139.4-179.7-25.636.3000112.7D271 I272 S274 K279D271-P277 WeakPolarHBondContact O-CA 3.43Å; I272-P277 WeakPolarHBondContact O-CG 3.1Å; S274-P277 WeakPolarHBondContact O-CD 3.28Å; P277-K279 PolarHBondContact O-N 3.33Å
278G96.1Very high96.2Very high32 Ų3235.6 Ų35.633%0.3320%0.196SC..THydrogen-bonded Turntrans71.36.1-179.300000114.4E255 D271E255-G278 WeakPolarHBondContact CG-O 3.49Å; D271-G278 PolarHBondContact OD1-N 2.79Å; D271-G278 PolarHBondContact OD2-N 3.35Å
279K95.1Very high96Very high89 Ų8934.3 Ų34.339%0.38719%0.193SC..SBendtrans-110.7152.5178.2-56.6-47.1-161.5178.30112E255 H276 P277 L281 K284E255-K279 WeakPolarHBondContact OE1-CA 3.18Å; E255-K279 WeakPolarHBondContact OE2-CD 3.49Å; E255-K279 IonicContact OE2-NZ 2.88Å; E255-K279 PolarHBondContact OE2-NZ 3.35Å; H276-K279 HydrophobicContact CB-CB 3.89Å; H276-K279 HydrophobicContact CB-CG 4.06Å; H276-K279 WeakPolarHBondContact O-CB 3.29Å; H276-K279 PolarHBondContact O-N 2.81Å; P277-K279 PolarHBondContact O-N 3.33Å; K279-L281 VanDerWaalsContact C-N 3.27Å; K279-L281 PolarHBondContact O-N 3.27Å; K279-K284 VanDerWaalsContact O-CE 3.29Å; K279-K284 WeakPolarHBondContact O-CE 3.36Å; K279-K284 PolarHBondContact O-NZ 3.24Å
280Q95.5Very high96Very high11 Ų1133.4 Ų33.45%0.05118%0.183CC..SBendtrans53.242.1174.4-60.9-62.4106.700113.1T161 G251 E255 Y282 E283 K284T161-Q280 HydrophobicContact CG2-CG 4.09Å; G251-Q280 CarbonylContact O-C 3.54Å; G251-Q280 WeakPolarHBondContact O-CA 3.13Å; E255-Q280 PolarHBondContact OE1-N 3.29Å; E255-Q280 VanDerWaalsContact OE1-N 3.11Å; Q280-Y282 PolarHBondContact O-N 2.65Å; Q280-E283 HydrophobicContact CB-CB 4.18Å; Q280-E283 PolarHBondContact NE2-OE1 3.11Å; Q280-E283 PolarHBondContact O-N 3.49Å; Q280-K284 WeakPolarHBondContact O-CG 3.36Å; Q280-K284 PolarHBondContact O-N 3.48Å
281L97.9Very high96Very high7 Ų733.2 Ų33.24%0.03718%0.182CC..Hα-helixtrans-65-42.5-169.4-66.3-176.9000113.1G251 G254 D271 K279 K284 M285G251-L281 PolarHBondContact O-N 3.31Å; G254-L281 WeakPolarHBondContact O-CD1 3.38Å; D271-L281 HydrophobicContact CB-CD2 4.39Å; D271-L281 VanDerWaalsContact CG-CD2 3.49Å; D271-L281 WeakPolarHBondContact OD1-CD2 3.39Å; D271-L281 WeakPolarHBondContact OD2-CD2 3.3Å; K279-L281 VanDerWaalsContact C-N 3.27Å; K279-L281 PolarHBondContact O-N 3.27Å; L281-K284 HydrophobicContact CD2-CD 4.42Å; L281-K284 WeakPolarHBondContact O-CB 3.48Å; L281-K284 PolarHBondContact O-N 2.82Å; L281-M285 WeakPolarHBondContact O-CG 3.48Å; L281-M285 PolarHBondContact O-N 3.38Å
282Y98.6Very high96Very high0 Ų032.8 Ų32.80%018%0.18CC..Hα-helixtrans-65.4-41.7174.8-176.3-101.7000111.7M33 T222 W250 G251 F253 L259 Q280 K284 M285 V286 L377M33-Y282 HydrophobicContact CE-CD2 4.25Å; M33-Y282 HydrophobicContact CE-CE1 4.19Å; M33-Y282 HydrophobicContact CE-CE2 3.73Å; T222-Y282 HydrophobicContact CG2-CD1 4.45Å; W250-Y282 HydrophobicContact CD2-CE1 4Å; W250-Y282 AromaticContact CE2-CE1 3.97Å; W250-Y282 HydrophobicContact CG-CD1 4.35Å; W250-Y282 HydrophobicContact CG-CE1 4.22Å; W250-Y282 HydrophobicContact CZ2-CE1 4.46Å; G251-Y282 PolarHBondContact O-N 3.18Å; F253-Y282 HydrophobicContact CB-CG 4.24Å; F253-Y282 AromaticContact CD1-CD2 3.84Å; F253-Y282 HydrophobicContact CD1-CD2 3.84Å; F253-Y282 HydrophobicContact CD1-CE2 4.42Å; F253-Y282 HydrophobicContact CD1-CG 4.26Å; F253-Y282 VanDerWaalsContact O-CB 3.29Å; F253-Y282 WeakPolarHBondContact O-CB 3.45Å; F253-Y282 PolarHBondContact O-N 3.2Å; L259-Y282 HydrophobicContact CD1-CD2 4.1Å; Q280-Y282 PolarHBondContact O-N 2.65Å; Y282-K284 VanDerWaalsContact C-N 3.29Å; Y282-K284 PolarHBondContact O-N 2.72Å; Y282-M285 PolarHBondContact O-N 2.81Å; Y282-V286 HydrophobicContact CD1-CG2 4.48Å; Y282-V286 HydrophobicContact CE1-CG2 4.17Å; Y282-V286 HydrophobicContact CE2-CG2 4.34Å; Y282-V286 WeakPolarHBondContact O-CG2 3.37Å; Y282-V286 PolarHBondContact O-N 3.06Å; Y282-L377 HydrophobicContact CE2-CB 4.01Å; Y282-L377 HydrophobicContact CE2-CD2 4.23Å; Y282-L377 PolarHBondContact OH-O 2.62Å
283E98Very high96Very high4 Ų427.6 Ų27.62%0.01915%0.153CC..Hα-helixtrans-60.8-38.6176.1176.4172.773.200112.3G221 T222 G251 Q280 M285 V286 S287 Y290G221-E283 WeakPolarHBondContact CA-OE2 3.37Å; T222-E283 HydrophobicContact CG2-CB 4.14Å; T222-E283 HydrophobicContact CG2-CG 4.24Å; T222-E283 PolarHBondContact N-OE2 3.4Å; G251-E283 PolarHBondContact O-N 2.8Å; Q280-E283 HydrophobicContact CB-CB 4.18Å; Q280-E283 PolarHBondContact NE2-OE1 3.11Å; Q280-E283 PolarHBondContact O-N 3.49Å; E283-M285 PolarHBondContact O-N 3.22Å; E283-V286 PolarHBondContact O-N 3.23Å; E283-S287 VanDerWaalsContact CG-OG 3.3Å; E283-S287 WeakPolarHBondContact CG-OG 3.26Å; E283-S287 VanDerWaalsContact O-CB 3.31Å; E283-S287 WeakPolarHBondContact O-CB 3.12Å; E283-S287 PolarHBondContact O-N 2.9Å; E283-S287 PolarHBondContact O-OG 2.86Å; E283-Y290 HydrophobicContact CG-CE2 4.2Å
284K97.8Very high96.1Very high5 Ų523.7 Ų23.72%0.02213%0.133CC..Hα-helixtrans-61.6-29.9174.1-78167.6174.9164.60113.7M270 D271 S274 H276 K279 Q280 L281 Y282 Y290M270-K284 HydrophobicContact CE-CB 3.84Å; M270-K284 HydrophobicContact CE-CG 4.38Å; D271-K284 HydrophobicContact CB-CD 4.44Å; D271-K284 IonicContact OD1-NZ 3.55Å; D271-K284 PolarHBondContact OD1-NZ 2.95Å; S274-K284 WeakPolarHBondContact OG-CE 3.37Å; S274-K284 PolarHBondContact OG-NZ 2.91Å; H276-K284 PolarHBondContact O-NZ 3.11Å; K279-K284 VanDerWaalsContact O-CE 3.29Å; K279-K284 WeakPolarHBondContact O-CE 3.36Å; K279-K284 PolarHBondContact O-NZ 3.24Å; Q280-K284 WeakPolarHBondContact O-CG 3.36Å; Q280-K284 PolarHBondContact O-N 3.48Å; L281-K284 HydrophobicContact CD2-CD 4.42Å; L281-K284 WeakPolarHBondContact O-CB 3.48Å; L281-K284 PolarHBondContact O-N 2.82Å; Y282-K284 VanDerWaalsContact C-N 3.29Å; Y282-K284 PolarHBondContact O-N 2.72Å; K284-Y290 HydrophobicContact CB-CD1 4.48Å; K284-Y290 HydrophobicContact CB-CD2 4.26Å; K284-Y290 HydrophobicContact CB-CG 4.14Å; K284-Y290 HydrophobicContact CD-CE1 4.45Å; K284-Y290 HydrophobicContact CG-CD1 3.72Å; K284-Y290 HydrophobicContact CG-CD2 3.84Å; K284-Y290 HydrophobicContact CG-CE1 3.72Å; K284-Y290 HydrophobicContact CG-CE2 3.84Å; K284-Y290 HydrophobicContact CG-CG 3.76Å; K284-Y290 VanDerWaalsContact O-CB 3.29Å; K284-Y290 WeakPolarHBondContact O-CB 3.12Å
285M98.4Very high96.4Very high3 Ų323.2 Ų23.22%0.01513%0.129CC..Hα-helixtrans-85.5-11.7-179.7-67.4175.162.800113.7L259 R263 L281 Y282 E283 L291 L377L259-M285 HydrophobicContact CD1-SD 4.16Å; R263-M285 HydrophobicContact CG-SD 3.97Å; L281-M285 WeakPolarHBondContact O-CG 3.48Å; L281-M285 PolarHBondContact O-N 3.38Å; Y282-M285 PolarHBondContact O-N 2.81Å; E283-M285 PolarHBondContact O-N 3.22Å; M285-L291 WeakPolarHBondContact O-CD2 3.42Å; M285-L377 HydrophobicContact CB-CD1 3.8Å; M285-L377 HydrophobicContact CE-CD1 3.8Å
286V98.3Very high96.8Very high0 Ų019.9 Ų19.90%011%0.11CC..Hα-helixtrans-122.6-36.6-169.9176.70000113.5T222 Y282 E283 L291 L377 A378 L402T222-V286 HydrophobicContact CG2-CB 3.81Å; T222-V286 HydrophobicContact CG2-CG1 3.81Å; Y282-V286 HydrophobicContact CD1-CG2 4.48Å; Y282-V286 HydrophobicContact CE1-CG2 4.17Å; Y282-V286 HydrophobicContact CE2-CG2 4.34Å; Y282-V286 WeakPolarHBondContact O-CG2 3.37Å; Y282-V286 PolarHBondContact O-N 3.06Å; E283-V286 PolarHBondContact O-N 3.23Å; V286-L291 WeakPolarHBondContact O-CD1 3.36Å; V286-L377 HydrophobicContact CG2-CB 3.71Å; V286-L377 HydrophobicContact CG2-CD1 4.01Å; V286-A378 HydrophobicContact CG1-CB 4.1Å; V286-L402 VanDerWaalsContact O-CD2 3.28Å; V286-L402 WeakPolarHBondContact O-CD2 3.45Å
287S96.6Very high97.2Very high0 Ų017.9 Ų17.90%010%0.101CC..SBendtrans-95.4152.3-162.869.60000115T220 G221 E283 M289 Y290 L291T220-S287 VanDerWaalsContact O-CB 3.29Å; T220-S287 WeakPolarHBondContact O-CB 3.43Å; T220-S287 PolarHBondContact O-OG 2.96Å; G221-S287 VanDerWaalsContact CA-CB 3.47Å; E283-S287 VanDerWaalsContact CG-OG 3.3Å; E283-S287 WeakPolarHBondContact CG-OG 3.26Å; E283-S287 VanDerWaalsContact O-CB 3.31Å; E283-S287 WeakPolarHBondContact O-CB 3.12Å; E283-S287 PolarHBondContact O-N 2.9Å; E283-S287 PolarHBondContact O-OG 2.86Å; S287-M289 PolarHBondContact O-N 2.95Å; S287-M289 VanDerWaalsContact O-N 3.11Å; S287-Y290 PolarHBondContact O-N 3.28Å; S287-Y290 WeakPolarHBondContact OG-CD2 3.46Å; S287-L291 WeakPolarHBondContact O-CG 3.5Å; S287-L291 PolarHBondContact O-N 3.26Å; S287-L291 VanDerWaalsContact O-N 3.12Å
288G94.8Very high97.3Very high15 Ų1514.3 Ų14.316%0.1558%0.078CC..THydrogen-bonded Turntrans-66.6-10.8-174.300000115.4G219 Y290 T325G219-G288 WeakPolarHBondContact O-CA 3.31Å; G219-G288 PolarHBondContact O-N 3.4Å; G288-Y290 VanDerWaalsContact C-N 3.26Å; G288-T325 WeakPolarHBondContact CA-OG1 3.22Å; G288-T325 VanDerWaalsContact O-CB 3.3Å; G288-T325 WeakPolarHBondContact O-CB 3.48Å; G288-T325 PolarHBondContact O-OG1 2.7Å
289M93.5Very high97.4Very high65 Ų6512.8 Ų12.832%0.326%0.062SC..THydrogen-bonded Turntrans-68-29.3168.3-179173.4-17800112.1T220 S287T220-M289 HydrophobicContact CG2-CB 4.01Å; T220-M289 WeakPolarHBondContact O-CB 3.14Å; T220-M289 PolarHBondContact O-N 3.24Å; S287-M289 PolarHBondContact O-N 2.95Å; S287-M289 VanDerWaalsContact O-N 3.11Å
290Y97.1Very high97.6Very high21 Ų219.7 Ų9.78%0.0825%0.051CC..THydrogen-bonded Turntrans-117.6-26.9-167.6-58.2-78.1000114.1M270 E283 K284 S287 G288 G292 E293 L294M270-Y290 VanDerWaalsContact SD-O 3.35Å; E283-Y290 HydrophobicContact CG-CE2 4.2Å; K284-Y290 HydrophobicContact CB-CD1 4.48Å; K284-Y290 HydrophobicContact CB-CD2 4.26Å; K284-Y290 HydrophobicContact CB-CG 4.14Å; K284-Y290 HydrophobicContact CD-CE1 4.45Å; K284-Y290 HydrophobicContact CG-CD1 3.72Å; K284-Y290 HydrophobicContact CG-CD2 3.84Å; K284-Y290 HydrophobicContact CG-CE1 3.72Å; K284-Y290 HydrophobicContact CG-CE2 3.84Å; K284-Y290 HydrophobicContact CG-CG 3.76Å; K284-Y290 VanDerWaalsContact O-CB 3.29Å; K284-Y290 WeakPolarHBondContact O-CB 3.12Å; S287-Y290 PolarHBondContact O-N 3.28Å; S287-Y290 WeakPolarHBondContact OG-CD2 3.46Å; G288-Y290 VanDerWaalsContact C-N 3.26Å; Y290-G292 VanDerWaalsContact C-N 3.32Å; Y290-G292 PolarHBondContact O-N 2.96Å; Y290-E293 PolarHBondContact O-N 2.84Å; Y290-E293 VanDerWaalsContact O-N 3.09Å; Y290-L294 PolarHBondContact O-N 3.25Å
291L98.2Very high97.7Very high0 Ų012.3 Ų12.30%06%0.06CC..Hα-helixtrans-58.5-40.7-175.8-64.7-172.4000113.5M285 V286 S287 L294 V295 L328 V370 V371 A374 L402M285-L291 WeakPolarHBondContact O-CD2 3.42Å; V286-L291 WeakPolarHBondContact O-CD1 3.36Å; S287-L291 WeakPolarHBondContact O-CG 3.5Å; S287-L291 PolarHBondContact O-N 3.26Å; S287-L291 VanDerWaalsContact O-N 3.12Å; L291-L294 WeakPolarHBondContact O-CB 3.3Å; L291-L294 PolarHBondContact O-N 3.1Å; L291-V295 WeakPolarHBondContact O-CG2 3.48Å; L291-V295 PolarHBondContact O-N 3.13Å; L291-V295 VanDerWaalsContact O-N 3.1Å; L291-L328 HydrophobicContact CB-CD2 3.62Å; L291-V370 HydrophobicContact CB-CG1 4.14Å; L291-V370 HydrophobicContact CD2-CG1 3.8Å; L291-V370 HydrophobicContact CG-CG1 4.43Å; L291-V371 HydrophobicContact CD1-CG2 4.42Å; L291-A374 HydrophobicContact CD1-CB 3.8Å; L291-A374 HydrophobicContact CD2-CB 3.86Å; L291-A374 HydrophobicContact CG-CB 4.48Å; L291-L402 HydrophobicContact CD1-CD1 4.44Å; L291-L402 HydrophobicContact CD1-CD2 3.7Å
292G97.8Very high97.7Very high1 Ų112 Ų121%0.016%0.058CC..Hα-helixtrans-63.1-43.417600000112.6Y290 L294 V295 R296 L323 T325Y290-G292 VanDerWaalsContact C-N 3.32Å; Y290-G292 PolarHBondContact O-N 2.96Å; G292-L294 VanDerWaalsContact C-N 3.33Å; G292-L294 PolarHBondContact O-N 2.82Å; G292-V295 PolarHBondContact O-N 3.37Å; G292-R296 PolarHBondContact O-N 2.85Å; G292-L323 CarbonylContact C-O 3.6Å; G292-L323 WeakPolarHBondContact CA-O 3.34Å; G292-T325 PolarHBondContact N-OG1 3.33Å
293E97.8Very high97.7Very high6 Ų612.1 Ų12.13%0.0286%0.059CC..Hα-helixtrans-64.9-38.1176.1-17862.8-18000112M270 Y290 V295 R296 H297 R320 N321M270-E293 HydrophobicContact CG-CB 4.41Å; M270-E293 HydrophobicContact CG-CG 3.82Å; M270-E293 HydrophobicContact SD-CB 4.16Å; M270-E293 HydrophobicContact SD-CG 4.22Å; Y290-E293 PolarHBondContact O-N 2.84Å; Y290-E293 VanDerWaalsContact O-N 3.09Å; E293-V295 VanDerWaalsContact C-N 3.31Å; E293-V295 PolarHBondContact O-N 3.45Å; E293-R296 WeakPolarHBondContact O-CA 3.4Å; E293-R296 VanDerWaalsContact O-CB 3.29Å; E293-R296 WeakPolarHBondContact O-CB 3.43Å; E293-R296 PolarHBondContact O-N 2.91Å; E293-R296 IonicContact OE1-CZ 3.59Å; E293-R296 VanDerWaalsContact OE1-CZ 3.25Å; E293-R296 IonicContact OE1-NE 2.62Å; E293-R296 PolarHBondContact OE1-NE 3.15Å; E293-R296 IonicContact OE1-NH2 3.52Å; E293-R296 PolarHBondContact OE1-NH2 3.35Å; E293-R296 WeakPolarHBondContact OE2-CD 3.39Å; E293-R296 IonicContact OE2-CZ 2.8Å; E293-R296 IonicContact OE2-NE 3.09Å; E293-R296 PolarHBondContact OE2-NE 3.29Å; E293-R296 IonicContact OE2-NH2 3.24Å; E293-H297 PolarHBondContact O-CD2 2.9Å; E293-H297 VanDerWaalsContact O-CD2 3.26Å; E293-H297 PolarHBondContact O-N 3.49Å; E293-H297 IonicContact OE1-CD2 3.74Å; E293-H297 IonicContact OE1-NE2 2.98Å; E293-H297 PolarHBondContact OE1-NE2 3.25Å; E293-R320 WeakPolarHBondContact OE1-CG 3.47Å; E293-N321 WeakPolarHBondContact OE2-CA 3.44Å; E293-N321 PolarHBondContact OE2-N 2.85Å
294L98.6Very high97.6Very high0 Ų018.1 Ų18.10%09%0.087CC..Hα-helixtrans-60.1-42.1174.7-175.156.3000111.9F19 F266 D267 M270 Y290 L291 G292 R296 H297 I298 V370F19-L294 HydrophobicContact CE1-CD2 3.99Å; F19-L294 HydrophobicContact CE1-CG 4.41Å; F266-L294 VanDerWaalsContact C-CD1 3.46Å; F266-L294 HydrophobicContact CB-CD1 3.61Å; D267-L294 WeakPolarHBondContact OD1-CD2 3.13Å; M270-L294 HydrophobicContact CE-CB 4.42Å; M270-L294 HydrophobicContact CE-CD1 4.46Å; M270-L294 HydrophobicContact SD-CB 3.71Å; M270-L294 HydrophobicContact SD-CD1 4.37Å; Y290-L294 PolarHBondContact O-N 3.25Å; L291-L294 WeakPolarHBondContact O-CB 3.3Å; L291-L294 PolarHBondContact O-N 3.1Å; G292-L294 VanDerWaalsContact C-N 3.33Å; G292-L294 PolarHBondContact O-N 2.82Å; L294-R296 VanDerWaalsContact C-N 3.33Å; L294-H297 PolarHBondContact O-N 2.79Å; L294-I298 WeakPolarHBondContact O-CG1 3.3Å; L294-I298 PolarHBondContact O-N 3.03Å; L294-V370 HydrophobicContact CD2-CG1 3.98Å; L294-V370 HydrophobicContact CD2-CG2 4.29Å; L294-V370 HydrophobicContact CG-CG1 4.44Å; L294-V370 HydrophobicContact CG-CG2 4.28Å
295V98.5Very high97.5Very high0 Ų021.7 Ų21.70%010%0.104CC..Hα-helixtrans-65.1-37.7173.3175.60000111.1L291 G292 E293 H297 I298 I299 L323 L328 V370L291-V295 WeakPolarHBondContact O-CG2 3.48Å; L291-V295 PolarHBondContact O-N 3.13Å; L291-V295 VanDerWaalsContact O-N 3.1Å; G292-V295 PolarHBondContact O-N 3.37Å; E293-V295 VanDerWaalsContact C-N 3.31Å; E293-V295 PolarHBondContact O-N 3.45Å; V295-H297 VanDerWaalsContact C-N 3.35Å; V295-H297 PolarHBondContact O-N 3.38Å; V295-I298 WeakPolarHBondContact O-CB 3.49Å; V295-I298 PolarHBondContact O-N 3.04Å; V295-I299 HydrophobicContact CG1-CD1 3.88Å; V295-I299 HydrophobicContact CG1-CG1 4.3Å; V295-I299 WeakPolarHBondContact O-CG1 3.36Å; V295-I299 PolarHBondContact O-N 3.32Å; V295-L323 HydrophobicContact CB-CD1 4.23Å; V295-L323 HydrophobicContact CB-CD2 4.34Å; V295-L323 HydrophobicContact CG1-CD1 3.76Å; V295-L323 HydrophobicContact CG1-CD2 4.43Å; V295-L328 HydrophobicContact CB-CD1 4.4Å; V295-L328 HydrophobicContact CG2-CD1 4.11Å; V295-L328 HydrophobicContact CG2-CD2 3.94Å; V295-L328 HydrophobicContact CG2-CG 4.15Å; V295-V370 HydrophobicContact CG2-CB 3.92Å; V295-V370 HydrophobicContact CG2-CG1 4.1Å; V295-V370 HydrophobicContact CG2-CG2 3.81Å
296R98.3Very high97.3Very high21 Ų2129.5 Ų29.58%0.07914%0.138CC..Hα-helixtrans-58.4-46174.4-166-169.569.178.94.6111.4G292 E293 L294 I298 I299 V300 L317 V319 S322 L323G292-R296 PolarHBondContact O-N 2.85Å; E293-R296 WeakPolarHBondContact O-CA 3.4Å; E293-R296 VanDerWaalsContact O-CB 3.29Å; E293-R296 WeakPolarHBondContact O-CB 3.43Å; E293-R296 PolarHBondContact O-N 2.91Å; E293-R296 IonicContact OE1-CZ 3.59Å; E293-R296 VanDerWaalsContact OE1-CZ 3.25Å; E293-R296 IonicContact OE1-NE 2.62Å; E293-R296 PolarHBondContact OE1-NE 3.15Å; E293-R296 IonicContact OE1-NH2 3.52Å; E293-R296 PolarHBondContact OE1-NH2 3.35Å; E293-R296 WeakPolarHBondContact OE2-CD 3.39Å; E293-R296 IonicContact OE2-CZ 2.8Å; E293-R296 IonicContact OE2-NE 3.09Å; E293-R296 PolarHBondContact OE2-NE 3.29Å; E293-R296 IonicContact OE2-NH2 3.24Å; L294-R296 VanDerWaalsContact C-N 3.33Å; R296-I298 VanDerWaalsContact C-N 3.3Å; R296-I298 PolarHBondContact O-N 2.78Å; R296-I299 PolarHBondContact O-N 2.98Å; R296-I299 VanDerWaalsContact O-N 3.17Å; R296-V300 HydrophobicContact CG-CG2 4.49Å; R296-V300 VanDerWaalsContact O-CG2 3.32Å; R296-V300 WeakPolarHBondContact O-CG2 3.2Å; R296-V300 PolarHBondContact O-N 2.8Å; R296-L317 HydrophobicContact CG-CD2 4.02Å; R296-L317 PolarHBondContact NH1-O 3.28Å; R296-V319 VanDerWaalsContact CD-O 3.31Å; R296-V319 WeakPolarHBondContact CD-O 3.37Å; R296-S322 WeakPolarHBondContact CD-OG 3.41Å; R296-L323 HydrophobicContact CB-CB 4.08Å
297H98.6Very high97.2Very high20 Ų2029.9 Ų29.99%0.09314%0.14CC..Hα-helixtrans-59.5-39.4176.3-83.1-111000112.4S269 M270 D273 E293 L294 V295 Y301S269-H297 PolarHBondContact OG-ND1 2.81Å; M270-H297 PolarHBondContact N-CE1 3.21Å; D273-H297 IonicContact OD2-CE1 3.45Å; D273-H297 PolarHBondContact OD2-CE1 3.32Å; D273-H297 IonicContact OD2-NE2 3.91Å; E293-H297 PolarHBondContact O-CD2 2.9Å; E293-H297 VanDerWaalsContact O-CD2 3.26Å; E293-H297 PolarHBondContact O-N 3.49Å; E293-H297 IonicContact OE1-CD2 3.74Å; E293-H297 IonicContact OE1-NE2 2.98Å; E293-H297 PolarHBondContact OE1-NE2 3.25Å; L294-H297 PolarHBondContact O-N 2.79Å; V295-H297 VanDerWaalsContact C-N 3.35Å; V295-H297 PolarHBondContact O-N 3.38Å; H297-Y301 WeakPolarHBondContact O-CB 3.31Å; H297-Y301 PolarHBondContact O-N 2.87Å; H297-Y301 VanDerWaalsContact O-N 3.17Å
298I98.7Very high97.2Very high1 Ų129.9 Ų29.91%0.00514%0.14CC..Hα-helixtrans-62.2-49.6173.6-67166.1000110.6L16 F19 F266 L294 V295 R296 V300 Y301 L302 A366 V370L16-I298 HydrophobicContact CD1-CG2 4.49Å; L16-I298 HydrophobicContact CD2-CD1 4Å; L16-I298 HydrophobicContact CD2-CG1 4.19Å; L16-I298 HydrophobicContact CD2-CG2 3.75Å; F19-I298 HydrophobicContact CE1-CD1 4.42Å; F19-I298 HydrophobicContact CE2-CD1 3.84Å; F19-I298 HydrophobicContact CE2-CG1 4.41Å; F19-I298 HydrophobicContact CZ-CD1 3.65Å; F19-I298 HydrophobicContact CZ-CG1 4.33Å; F266-I298 HydrophobicContact CB-CG1 4.09Å; F266-I298 HydrophobicContact CD1-CB 4.46Å; F266-I298 HydrophobicContact CD1-CG1 3.84Å; F266-I298 HydrophobicContact CD2-CG1 3.84Å; F266-I298 HydrophobicContact CE1-CG1 4.18Å; F266-I298 HydrophobicContact CE2-CG1 4.16Å; F266-I298 HydrophobicContact CG-CG1 3.63Å; F266-I298 HydrophobicContact CZ-CG1 4.31Å; L294-I298 WeakPolarHBondContact O-CG1 3.3Å; L294-I298 PolarHBondContact O-N 3.03Å; V295-I298 WeakPolarHBondContact O-CB 3.49Å; V295-I298 PolarHBondContact O-N 3.04Å; R296-I298 VanDerWaalsContact C-N 3.3Å; R296-I298 PolarHBondContact O-N 2.78Å; I298-V300 PolarHBondContact O-N 3.45Å; I298-Y301 PolarHBondContact O-N 3.27Å; I298-L302 HydrophobicContact CG2-CD1 3.85Å; I298-L302 HydrophobicContact CG2-CG 4.27Å; I298-L302 VanDerWaalsContact O-CG 3.3Å; I298-L302 WeakPolarHBondContact O-CG 3.34Å; I298-L302 PolarHBondContact O-N 2.82Å; I298-A366 HydrophobicContact CG2-CB 4.03Å; I298-V370 HydrophobicContact CD1-CG2 3.57Å
299I98.3Very high97.3Very high0 Ų029.6 Ų29.60%014%0.135CC..Hα-helixtrans-61.7-46.6-177.9-68.9170.7000110.9V295 R296 Y301 L302 V303 L308 F309 L317 L323 V363V295-I299 HydrophobicContact CG1-CD1 3.88Å; V295-I299 HydrophobicContact CG1-CG1 4.3Å; V295-I299 WeakPolarHBondContact O-CG1 3.36Å; V295-I299 PolarHBondContact O-N 3.32Å; R296-I299 PolarHBondContact O-N 2.98Å; R296-I299 VanDerWaalsContact O-N 3.17Å; I299-Y301 VanDerWaalsContact C-N 3.32Å; I299-Y301 PolarHBondContact O-N 2.69Å; I299-L302 PolarHBondContact O-N 2.82Å; I299-L302 VanDerWaalsContact O-N 3.14Å; I299-V303 HydrophobicContact CG2-CG2 4.31Å; I299-V303 WeakPolarHBondContact O-CG2 3.44Å; I299-V303 PolarHBondContact O-N 2.69Å; I299-L308 HydrophobicContact CB-CD1 4.41Å; I299-L308 HydrophobicContact CG1-CD1 4.3Å; I299-L308 HydrophobicContact CG2-CD1 4.02Å; I299-F309 HydrophobicContact CG2-CE2 3.76Å; I299-F309 HydrophobicContact CG2-CZ 4.45Å; I299-L317 HydrophobicContact CG2-CD1 3.74Å; I299-L323 HydrophobicContact CD1-CD1 3.64Å; I299-V363 HydrophobicContact CD1-CG1 4.13Å; I299-V363 HydrophobicContact CD1-CG2 4.24Å; I299-V363 HydrophobicContact CG1-CG2 4.42Å
300V98.2Very high97.2Very high24 Ų2434.5 Ų34.515%0.14515%0.15CC..Hα-helixtrans-54.4-50.2177.2170.40000110.5R296 I298 L302 V303 E304 L313R296-V300 HydrophobicContact CG-CG2 4.49Å; R296-V300 VanDerWaalsContact O-CG2 3.32Å; R296-V300 WeakPolarHBondContact O-CG2 3.2Å; R296-V300 PolarHBondContact O-N 2.8Å; I298-V300 PolarHBondContact O-N 3.45Å; V300-L302 PolarHBondContact O-N 2.88Å; V300-V303 PolarHBondContact O-N 2.74Å; V300-E304 WeakPolarHBondContact O-CG 3.36Å; V300-E304 PolarHBondContact O-N 2.92Å; V300-L313 HydrophobicContact CG1-CD2 4.32Å; V300-L313 HydrophobicContact CG2-CD1 4.01Å; V300-L313 HydrophobicContact CG2-CD2 4.32Å
301Y98.4Very high97.1Very high65 Ų6535 Ų3526%0.25516%0.161SC..Hα-helixtrans-59.6-44.3177.6177.4-96.7000112.4I15 F266 H297 I298 I299 V303 E304 Q305I15-Y301 HydrophobicContact CD1-CE1 4.19Å; I15-Y301 HydrophobicContact CG1-CE1 4.49Å; I15-Y301 HydrophobicContact CG2-CD1 4.27Å; I15-Y301 HydrophobicContact CG2-CE1 3.93Å; F266-Y301 AromaticContact CE1-CD1 3.84Å; F266-Y301 HydrophobicContact CE1-CD1 3.84Å; F266-Y301 HydrophobicContact CE1-CD2 4.44Å; F266-Y301 AromaticContact CE1-CG 3.73Å; F266-Y301 HydrophobicContact CE1-CG 3.73Å; F266-Y301 AromaticContact CZ-CD1 3.86Å; F266-Y301 HydrophobicContact CZ-CD1 3.86Å; F266-Y301 HydrophobicContact CZ-CE1 4.35Å; F266-Y301 HydrophobicContact CZ-CG 4.23Å; H297-Y301 WeakPolarHBondContact O-CB 3.31Å; H297-Y301 PolarHBondContact O-N 2.87Å; H297-Y301 VanDerWaalsContact O-N 3.17Å; I298-Y301 PolarHBondContact O-N 3.27Å; I299-Y301 VanDerWaalsContact C-N 3.32Å; I299-Y301 PolarHBondContact O-N 2.69Å; Y301-V303 VanDerWaalsContact C-N 3.31Å; Y301-V303 PolarHBondContact O-N 2.71Å; Y301-E304 PolarHBondContact O-N 3.36Å; Y301-Q305 HydrophobicContact CD1-CG 4.15Å; Y301-Q305 HydrophobicContact CE1-CG 3.75Å; Y301-Q305 HydrophobicContact CE2-CG 4.24Å; Y301-Q305 VanDerWaalsContact O-CG 3.29Å; Y301-Q305 WeakPolarHBondContact O-CG 3.44Å; Y301-Q305 PolarHBondContact O-N 3.34Å
302L98.2Very high96.9Very high0 Ų040 Ų400%019%0.188CC..Hα-helixtrans-65.5-33.9179.5-68.4178.4000112.5V12 I15 I298 I299 V300 Q305 K306 I307 L308 I362V12-L302 HydrophobicContact CG1-CD1 4.4Å; V12-L302 HydrophobicContact CG2-CD1 4.28Å; V12-L302 HydrophobicContact CG2-CD2 4.1Å; I15-L302 HydrophobicContact CD1-CD2 3.76Å; I15-L302 HydrophobicContact CG2-CD2 4.3Å; I298-L302 HydrophobicContact CG2-CD1 3.85Å; I298-L302 HydrophobicContact CG2-CG 4.27Å; I298-L302 VanDerWaalsContact O-CG 3.3Å; I298-L302 WeakPolarHBondContact O-CG 3.34Å; I298-L302 PolarHBondContact O-N 2.82Å; I299-L302 PolarHBondContact O-N 2.82Å; I299-L302 VanDerWaalsContact O-N 3.14Å; V300-L302 PolarHBondContact O-N 2.88Å; L302-Q305 PolarHBondContact O-N 3.18Å; L302-K306 PolarHBondContact O-N 3.41Å; L302-I307 HydrophobicContact CB-CB 4.44Å; L302-I307 HydrophobicContact CD2-CD1 3.81Å; L302-I307 WeakPolarHBondContact O-CB 3.41Å; L302-I307 PolarHBondContact O-N 3.32Å; L302-L308 HydrophobicContact CB-CB 4.37Å; L302-L308 HydrophobicContact CB-CD1 3.77Å; L302-L308 HydrophobicContact CB-CG 3.98Å; L302-L308 HydrophobicContact CD1-CD1 3.92Å; L302-L308 HydrophobicContact CD1-CG 4.42Å; L302-L308 PolarHBondContact O-N 2.97Å; L302-I362 HydrophobicContact CD1-CG2 3.76Å
303V97.3Very high96.8Very high3 Ų341.7 Ų41.72%0.01820%0.196CC..Hα-helixtrans-67.2-45.7172.6176.10000110.7I299 V300 Y301 Q305 K306 L308 F309 G311 L313I299-V303 HydrophobicContact CG2-CG2 4.31Å; I299-V303 WeakPolarHBondContact O-CG2 3.44Å; I299-V303 PolarHBondContact O-N 2.69Å; V300-V303 PolarHBondContact O-N 2.74Å; Y301-V303 VanDerWaalsContact C-N 3.31Å; Y301-V303 PolarHBondContact O-N 2.71Å; V303-Q305 PolarHBondContact O-N 3.04Å; V303-K306 WeakPolarHBondContact O-CA 3.39Å; V303-K306 PolarHBondContact O-N 2.82Å; V303-L308 HydrophobicContact CG2-CB 3.75Å; V303-F309 HydrophobicContact CG2-CD2 3.51Å; V303-F309 HydrophobicContact CG2-CE2 4.08Å; V303-F309 HydrophobicContact CG2-CG 4.38Å; V303-G311 VanDerWaalsContact CG1-C 3.49Å; V303-G311 WeakPolarHBondContact O-CA 3.2Å; V303-L313 HydrophobicContact CB-CD1 4.36Å; V303-L313 HydrophobicContact CG1-CB 3.89Å; V303-L313 HydrophobicContact CG1-CD1 4.42Å; V303-L313 HydrophobicContact CG2-CD1 4.26Å
304E96.7Very high96.7Very high130 Ų13041.7 Ų41.761%0.60720%0.197SC*.Hα-helixtrans-59.6-34.1175.8-70.5174.5170.200112.4V300 Y301 K306V300-E304 WeakPolarHBondContact O-CG 3.36Å; V300-E304 PolarHBondContact O-N 2.92Å; Y301-E304 PolarHBondContact O-N 3.36Å; E304-K306 PolarHBondContact O-N 2.89Å
305Q96.1Very high96.6Very high81 Ų8148.1 Ų48.138%0.37923%0.227SC..THydrogen-bonded Turntrans-77.14.5173-64.5-52.8-57.300114.1Y301 L302 V303 I307Y301-Q305 HydrophobicContact CD1-CG 4.15Å; Y301-Q305 HydrophobicContact CE1-CG 3.75Å; Y301-Q305 HydrophobicContact CE2-CG 4.24Å; Y301-Q305 VanDerWaalsContact O-CG 3.29Å; Y301-Q305 WeakPolarHBondContact O-CG 3.44Å; Y301-Q305 PolarHBondContact O-N 3.34Å; L302-Q305 PolarHBondContact O-N 3.18Å; V303-Q305 PolarHBondContact O-N 3.04Å; Q305-I307 HydrophobicContact CB-CD1 3.77Å; Q305-I307 HydrophobicContact CB-CG1 3.99Å; Q305-I307 PolarHBondContact O-N 2.87Å
306K94.5Very high96.4Very high167 Ų16752.8 Ų52.873%0.72625%0.245SC*.THydrogen-bonded Turntrans56.832.6-177.3-54.6-178178.7-177.90113.5L302 V303 E304L302-K306 PolarHBondContact O-N 3.41Å; V303-K306 WeakPolarHBondContact O-CA 3.39Å; V303-K306 PolarHBondContact O-N 2.82Å; E304-K306 PolarHBondContact O-N 2.89Å
307I95.8Very high96.3Very high8 Ų851.8 Ų51.84%0.04124%0.241CC..  trans-94.3-41.1179.3-62.9169.7000110.8L8 K11 V12 I15 L302 Q305 I362L8-I307 HydrophobicContact CD2-CG2 4.38Å; K11-I307 HydrophobicContact CD-CD1 3.72Å; K11-I307 HydrophobicContact CD-CG1 4.24Å; K11-I307 HydrophobicContact CG-CD1 4.13Å; V12-I307 HydrophobicContact CG2-CG2 3.63Å; I15-I307 HydrophobicContact CD1-CD1 3.67Å; L302-I307 HydrophobicContact CB-CB 4.44Å; L302-I307 HydrophobicContact CD2-CD1 3.81Å; L302-I307 WeakPolarHBondContact O-CB 3.41Å; L302-I307 PolarHBondContact O-N 3.32Å; Q305-I307 HydrophobicContact CB-CD1 3.77Å; Q305-I307 HydrophobicContact CB-CG1 3.99Å; Q305-I307 PolarHBondContact O-N 2.87Å; I307-I362 HydrophobicContact CG2-CD1 3.94Å
308L96.3Very high96.2Very high0 Ų055.9 Ų55.90%026%0.258CS..SBendtrans-105.2149178.5-79.9179.2000111.6I299 L302 V303 R310 G311 D359 I362 V363I299-L308 HydrophobicContact CB-CD1 4.41Å; I299-L308 HydrophobicContact CG1-CD1 4.3Å; I299-L308 HydrophobicContact CG2-CD1 4.02Å; L302-L308 HydrophobicContact CB-CB 4.37Å; L302-L308 HydrophobicContact CB-CD1 3.77Å; L302-L308 HydrophobicContact CB-CG 3.98Å; L302-L308 HydrophobicContact CD1-CD1 3.92Å; L302-L308 HydrophobicContact CD1-CG 4.42Å; L302-L308 PolarHBondContact O-N 2.97Å; V303-L308 HydrophobicContact CG2-CB 3.75Å; L308-R310 PolarHBondContact O-N 3.11Å; L308-G311 PolarHBondContact O-N 3.49Å; L308-D359 HydrophobicContact CD2-CB 4.01Å; L308-D359 VanDerWaalsContact CD2-OD1 3.28Å; L308-D359 WeakPolarHBondContact CD2-OD1 3.44Å; L308-I362 HydrophobicContact CD1-CG2 3.98Å; L308-I362 HydrophobicContact CD2-CB 3.8Å; L308-I362 HydrophobicContact CD2-CD1 4.1Å; L308-I362 HydrophobicContact CD2-CG2 3.57Å; L308-I362 HydrophobicContact CG-CG2 3.88Å; L308-V363 HydrophobicContact CD1-CG2 4.08Å; L308-V363 HydrophobicContact CD2-CG2 4.28Å
309F95.9Very high96.1Very high8 Ų860.1 Ų60.14%0.03528%0.284CS..G310 helixtrans51.332.9168.6-45.2-41.3000113.6I299 V303 G311 D312 P314 L317 L346 V352 D359 V363I299-F309 HydrophobicContact CG2-CE2 3.76Å; I299-F309 HydrophobicContact CG2-CZ 4.45Å; V303-F309 HydrophobicContact CG2-CD2 3.51Å; V303-F309 HydrophobicContact CG2-CE2 4.08Å; V303-F309 HydrophobicContact CG2-CG 4.38Å; F309-G311 PolarHBondContact O-N 3.22Å; F309-D312 WeakPolarHBondContact CB-O 3.31Å; F309-D312 PolarHBondContact O-N 3.01Å; F309-P314 HydrophobicContact CD2-CG 3.97Å; F309-P314 HydrophobicContact CE2-CG 4.31Å; F309-L317 HydrophobicContact CE2-CD1 3.87Å; F309-L346 HydrophobicContact CE1-CD1 4.23Å; F309-L346 HydrophobicContact CE1-CD2 4.09Å; F309-L346 HydrophobicContact CZ-CD1 4.48Å; F309-L346 HydrophobicContact CZ-CD2 3.63Å; F309-V352 HydrophobicContact CB-CG1 4.44Å; F309-V352 HydrophobicContact CD1-CG1 3.56Å; F309-V352 HydrophobicContact CD2-CG1 4.33Å; F309-V352 HydrophobicContact CE1-CG1 3.82Å; F309-V352 HydrophobicContact CE1-CG2 4.35Å; F309-V352 HydrophobicContact CE2-CG2 4.37Å; F309-V352 HydrophobicContact CG-CG1 3.86Å; F309-V352 HydrophobicContact CZ-CG1 4.35Å; F309-V352 HydrophobicContact CZ-CG2 4.16Å; F309-D359 HydrophobicContact CD1-CB 4.02Å; F309-D359 HydrophobicContact CE1-CB 3.77Å; F309-D359 PolarHBondContact N-OD1 3.35Å; F309-V363 HydrophobicContact CZ-CG2 4.18Å
310R92Very high95.9Very high169 Ų16965.4 Ų65.464%0.63830%0.304SS*.G310 helixtrans56.222-176.8-54.9176.5176.2-179.8-3.5114.2L308 E356L308-R310 PolarHBondContact O-N 3.11Å; R310-E356 WeakPolarHBondContact CG-OE2 3.47Å; R310-E356 IonicContact CZ-OE1 3.78Å; R310-E356 IonicContact CZ-OE2 3.76Å; R310-E356 IonicContact NE-OE1 2.97Å; R310-E356 IonicContact NE-OE2 2.67Å; R310-E356 PolarHBondContact NE-OE2 3.26Å; R310-E356 IonicContact NH2-OE1 3.71Å; R310-E356 PolarHBondContact NH2-OE1 2.86Å; R310-E356 IonicContact NH2-OE2 3.21Å
311G94.2Very high95.7Very high32 Ų3267.9 Ų67.933%0.3332%0.317SS..G310 helixtrans80.211.9-177.600000115.1V303 L308 F309V303-G311 VanDerWaalsContact CG1-C 3.49Å; V303-G311 WeakPolarHBondContact O-CA 3.2Å; L308-G311 PolarHBondContact O-N 3.49Å; F309-G311 PolarHBondContact O-N 3.22Å
312D95Very high95.6Very high104 Ų10466 Ų6656%0.55631%0.313SS*.  trans-98.3122173.3-171.522.6000110.5F309 P314F309-D312 WeakPolarHBondContact CB-O 3.31Å; F309-D312 PolarHBondContact O-N 3.01Å; D312-P314 VanDerWaalsContact O-CD 3.29Å; D312-P314 WeakPolarHBondContact O-CD 3.08Å
313L95.9Very high95.5Very high36 Ų3666.2 Ų66.219%0.18831%0.314CS..  trans-88.7114.1-176.3-178.562.6000110.2V300 V303 L317 K318V300-L313 HydrophobicContact CG1-CD2 4.32Å; V300-L313 HydrophobicContact CG2-CD1 4.01Å; V300-L313 HydrophobicContact CG2-CD2 4.32Å; V303-L313 HydrophobicContact CB-CD1 4.36Å; V303-L313 HydrophobicContact CG1-CB 3.89Å; V303-L313 HydrophobicContact CG1-CD1 4.42Å; V303-L313 HydrophobicContact CG2-CD1 4.26Å; L313-L317 HydrophobicContact CD1-CB 3.89Å; L313-K318 HydrophobicContact CD2-CG 3.71Å; L313-K318 HydrophobicContact CG-CG 3.93Å; L313-K318 VanDerWaalsContact O-CE 3.22Å; L313-K318 WeakPolarHBondContact O-CE 3.37Å
314P95.2Very high95.3Very high7 Ų770 Ų705%0.04533%0.334CS..  trans-60.1142.3179.9-2536.6000112.4F309 D312 R316 L317 K318 V352F309-P314 HydrophobicContact CD2-CG 3.97Å; F309-P314 HydrophobicContact CE2-CG 4.31Å; D312-P314 VanDerWaalsContact O-CD 3.29Å; D312-P314 WeakPolarHBondContact O-CD 3.08Å; P314-R316 VanDerWaalsContact C-N 3.29Å; P314-R316 PolarHBondContact O-N 3.24Å; P314-L317 HydrophobicContact CB-CD1 4.31Å; P314-L317 HydrophobicContact CG-CD1 4.02Å; P314-L317 PolarHBondContact O-N 3.03Å; P314-K318 PolarHBondContact O-N 3.13Å; P314-V352 HydrophobicContact CB-CG2 4.11Å; P314-V352 HydrophobicContact CG-CB 4.08Å; P314-V352 HydrophobicContact CG-CG1 3.92Å; P314-V352 HydrophobicContact CG-CG2 3.58Å
315E95.7Very high95.2Very high135 Ų13564.9 Ų64.963%0.63131%0.311SS*.Hα-helixtrans-55.5-40-175.1-66.8-56140.400113.3L317 K318E315-L317 VanDerWaalsContact C-N 3.29Å; E315-L317 PolarHBondContact O-N 3.13Å; E315-K318 WeakPolarHBondContact O-CB 3.25Å; E315-K318 PolarHBondContact O-N 3.22Å; E315-K318 IonicContact OE1-NZ 3.78Å; E315-K318 PolarHBondContact OE1-NZ 2.74Å; E315-K318 WeakPolarHBondContact OE2-CD 3.46Å; E315-K318 IonicContact OE2-NZ 2.95Å; E315-K318 PolarHBondContact OE2-NZ 2.87Å
316R95.3Very high95.2Very high98 Ų9867 Ų6737%0.3732%0.316SS..Hα-helixtrans-63.1-35.4177.6-75.4-170.4168.2150.63.4112.3P314 K318 V319 S322 D348 D349 L350 H351P314-R316 VanDerWaalsContact C-N 3.29Å; P314-R316 PolarHBondContact O-N 3.24Å; R316-K318 VanDerWaalsContact C-N 3.27Å; R316-K318 PolarHBondContact O-N 2.94Å; R316-V319 PolarHBondContact O-N 3.33Å; R316-S322 WeakPolarHBondContact O-CB 3.43Å; R316-S322 PolarHBondContact O-OG 3.2Å; R316-D348 PolarHBondContact NH1-O 2.87Å; R316-D349 WeakPolarHBondContact CD-O 3.33Å; R316-D349 PolarHBondContact NH1-O 3.36Å; R316-L350 HydrophobicContact CB-CD2 4.4Å; R316-H351 PolarHBondContact NH1-CD2 2.85Å; R316-H351 PolarHBondContact NH1-CE1 2.85Å; R316-H351 PolarHBondContact NH1-ND1 2.83Å; R316-H351 PolarHBondContact NH1-NE2 2.88Å; R316-H351 PolarHBondContact NH2-CE1 3.49Å; R316-H351 PolarHBondContact NH2-ND1 2.83Å; R316-H351 PolarHBondContact NH2-NE2 3.09Å
317L96.3Very high95.3Very high0 Ų059.8 Ų59.80%028%0.284CS..Hα-helixtrans-75.9-14.3-179.6-72.9169.7000113.3R296 I299 F309 L313 P314 E315 V319 L323 L350R296-L317 HydrophobicContact CG-CD2 4.02Å; R296-L317 PolarHBondContact NH1-O 3.28Å; I299-L317 HydrophobicContact CG2-CD1 3.74Å; F309-L317 HydrophobicContact CE2-CD1 3.87Å; L313-L317 HydrophobicContact CD1-CB 3.89Å; P314-L317 HydrophobicContact CB-CD1 4.31Å; P314-L317 HydrophobicContact CG-CD1 4.02Å; P314-L317 PolarHBondContact O-N 3.03Å; E315-L317 VanDerWaalsContact C-N 3.29Å; E315-L317 PolarHBondContact O-N 3.13Å; L317-V319 VanDerWaalsContact C-N 3.3Å; L317-L323 HydrophobicContact CD2-CD1 4.4Å; L317-L350 HydrophobicContact CD2-CD1 4.13Å; L317-L350 HydrophobicContact CD2-CD2 4.27Å
318K96.1Very high95.3Very high105 Ų10559.4 Ų59.446%0.45728%0.282SS..Hα-helixtrans-71.7-25.9169.1-59.3179.3-172.8171.50112.4L313 P314 E315 R316L313-K318 HydrophobicContact CD2-CG 3.71Å; L313-K318 HydrophobicContact CG-CG 3.93Å; L313-K318 VanDerWaalsContact O-CE 3.22Å; L313-K318 WeakPolarHBondContact O-CE 3.37Å; P314-K318 PolarHBondContact O-N 3.13Å; E315-K318 WeakPolarHBondContact O-CB 3.25Å; E315-K318 PolarHBondContact O-N 3.22Å; E315-K318 IonicContact OE1-NZ 3.78Å; E315-K318 PolarHBondContact OE1-NZ 2.74Å; E315-K318 WeakPolarHBondContact OE2-CD 3.46Å; E315-K318 IonicContact OE2-NZ 2.95Å; E315-K318 PolarHBondContact OE2-NZ 2.87Å; R316-K318 VanDerWaalsContact C-N 3.27Å; R316-K318 PolarHBondContact O-N 2.94Å
319V96.5Very high95.3Very high90 Ų9059.9 Ų59.955%0.54529%0.285SS..SBendtrans-80.3126.9-179.9-175.20000109.7R296 R316 L317 S322R296-V319 VanDerWaalsContact CD-O 3.31Å; R296-V319 WeakPolarHBondContact CD-O 3.37Å; R316-V319 PolarHBondContact O-N 3.33Å; L317-V319 VanDerWaalsContact C-N 3.3Å; V319-S322 WeakPolarHBondContact O-CB 3.21Å; V319-S322 PolarHBondContact O-N 2.91Å; V319-S322 PolarHBondContact O-OG 3.15Å
320R94.5Very high95.3Very high112 Ų11261.6 Ų61.642%0.42330%0.295SS..THydrogen-bonded Turntrans-58.2141.1174.4-176.9-178.9166.6-164.8-6.1111.1D273 S274 E293 S322D273-R320 PolarHBondContact O-NE 2.86Å; D273-R320 PolarHBondContact O-NH1 2.93Å; D273-R320 PolarHBondContact O-NH2 2.94Å; S274-R320 VanDerWaalsContact CA-NH2 3.33Å; E293-R320 WeakPolarHBondContact OE1-CG 3.47Å; R320-S322 PolarHBondContact O-N 3.01Å
321N94Very high95.4Very high76 Ų7653.6 Ų53.641%0.40627%0.265SS..THydrogen-bonded Turntrans60.219.5-178.5-54.2-39.1000114.5E293 L323E293-N321 WeakPolarHBondContact OE2-CA 3.44Å; E293-N321 PolarHBondContact OE2-N 2.85Å; N321-L323 VanDerWaalsContact C-N 3.31Å; N321-L323 PolarHBondContact O-N 2.65Å
322S95.5Very high95.5Very high26 Ų2652.3 Ų52.318%0.18225%0.25CC..  trans-70.9-26.9178.960.30000113.6R296 R316 V319 R320 L324R296-S322 WeakPolarHBondContact CD-OG 3.41Å; R316-S322 WeakPolarHBondContact O-CB 3.43Å; R316-S322 PolarHBondContact O-OG 3.2Å; V319-S322 WeakPolarHBondContact O-CB 3.21Å; V319-S322 PolarHBondContact O-N 2.91Å; V319-S322 PolarHBondContact O-OG 3.15Å; R320-S322 PolarHBondContact O-N 3.01Å; S322-L324 PolarHBondContact O-N 3.05Å
323L96.1Very high95.4Very high3 Ų353.3 Ų53.32%0.01625%0.246CC..SBendtrans-91.8102.8177-158.8161.4000109.2G292 V295 R296 I299 L317 N321 Y327 L328G292-L323 CarbonylContact C-O 3.6Å; G292-L323 WeakPolarHBondContact CA-O 3.34Å; V295-L323 HydrophobicContact CB-CD1 4.23Å; V295-L323 HydrophobicContact CB-CD2 4.34Å; V295-L323 HydrophobicContact CG1-CD1 3.76Å; V295-L323 HydrophobicContact CG1-CD2 4.43Å; R296-L323 HydrophobicContact CB-CB 4.08Å; I299-L323 HydrophobicContact CD1-CD1 3.64Å; L317-L323 HydrophobicContact CD2-CD1 4.4Å; N321-L323 VanDerWaalsContact C-N 3.31Å; N321-L323 PolarHBondContact O-N 2.65Å; L323-Y327 HydrophobicContact CD2-CD2 4.27Å; L323-Y327 HydrophobicContact CG-CD2 4.25Å; L323-L328 HydrophobicContact CD2-CD1 3.28Å
324L94.6Very high95.3Very high83 Ų8351.9 Ų51.944%0.43524%0.239SC..  trans-79.8147.3-178.8-58.7-179.8000111.7S322 R326 Y327S322-L324 PolarHBondContact O-N 3.05Å; L324-R326 HydrophobicContact CB-CG 3.99Å; L324-R326 PolarHBondContact O-N 2.78Å; L324-R326 VanDerWaalsContact O-N 3.11Å; L324-Y327 HydrophobicContact CB-CD2 4.01Å; L324-Y327 HydrophobicContact CB-CE2 3.97Å; L324-Y327 HydrophobicContact CG-CE2 4.21Å; L324-Y327 VanDerWaalsContact N-CD2 3.3Å; L324-Y327 VanDerWaalsContact O-CB 3.26Å; L324-Y327 WeakPolarHBondContact O-CB 3.15Å; L324-Y327 WeakPolarHBondContact O-CD2 3.47Å; L324-Y327 PolarHBondContact O-N 3.07Å
325T94.5Very high95.1Very high22 Ų2254.3 Ų54.314%0.13526%0.255CS..Hα-helixtrans-60.4-23.9178.1-66.20000114G288 G292 Y327 L328 T329 L402G288-T325 WeakPolarHBondContact CA-OG1 3.22Å; G288-T325 VanDerWaalsContact O-CB 3.3Å; G288-T325 WeakPolarHBondContact O-CB 3.48Å; G288-T325 PolarHBondContact O-OG1 2.7Å; G292-T325 PolarHBondContact N-OG1 3.33Å; T325-Y327 PolarHBondContact O-N 3.24Å; T325-L328 WeakPolarHBondContact O-CB 3.37Å; T325-L328 PolarHBondContact O-N 2.72Å; T325-L328 VanDerWaalsContact O-N 3.07Å; T325-T329 PolarHBondContact O-N 3.46Å; T325-L402 HydrophobicContact CG2-CD1 3.97Å
326R95.3Very high94.6Very high127 Ų12752.9 Ų52.948%0.47927%0.265SS..Hα-helixtrans-54.5-35.3171.972.5178.9-178.3141.50.9111.9L324 L328 T329 D330 D349L324-R326 HydrophobicContact CB-CG 3.99Å; L324-R326 PolarHBondContact O-N 2.78Å; L324-R326 VanDerWaalsContact O-N 3.11Å; R326-L328 PolarHBondContact O-N 3.23Å; R326-T329 VanDerWaalsContact O-CB 3.3Å; R326-T329 WeakPolarHBondContact O-CB 3.26Å; R326-T329 PolarHBondContact O-N 3.46Å; R326-T329 VanDerWaalsContact O-N 3.17Å; R326-D330 PolarHBondContact O-N 2.62Å; R326-D349 IonicContact NH2-OD1 2.64Å; R326-D349 PolarHBondContact NH2-OD1 2.96Å; R326-D349 VanDerWaalsContact NH2-OD1 3.09Å
327Y96Very high94.2Very high14 Ų1455.8 Ų55.86%0.05528%0.283CS..Hα-helixtrans-66.3-39.7179.8-62.5-42.4000111.8L323 L324 T325 T329 D330 V331 M345 D349L323-Y327 HydrophobicContact CD2-CD2 4.27Å; L323-Y327 HydrophobicContact CG-CD2 4.25Å; L324-Y327 HydrophobicContact CB-CD2 4.01Å; L324-Y327 HydrophobicContact CB-CE2 3.97Å; L324-Y327 HydrophobicContact CG-CE2 4.21Å; L324-Y327 VanDerWaalsContact N-CD2 3.3Å; L324-Y327 VanDerWaalsContact O-CB 3.26Å; L324-Y327 WeakPolarHBondContact O-CB 3.15Å; L324-Y327 WeakPolarHBondContact O-CD2 3.47Å; L324-Y327 PolarHBondContact O-N 3.07Å; T325-Y327 PolarHBondContact O-N 3.24Å; Y327-T329 PolarHBondContact O-N 3.04Å; Y327-D330 PolarHBondContact O-N 3.37Å; Y327-V331 WeakPolarHBondContact O-CG1 3.15Å; Y327-V331 WeakPolarHBondContact O-CG2 3.29Å; Y327-V331 PolarHBondContact O-N 3.14Å; Y327-M345 WeakPolarHBondContact CB-SD 3.28Å; Y327-M345 HydrophobicContact CD1-CB 4.47Å; Y327-M345 HydrophobicContact CD1-CG 3.79Å; Y327-M345 HydrophobicContact CD1-SD 4.26Å; Y327-M345 HydrophobicContact CD2-CG 4.32Å; Y327-M345 HydrophobicContact CD2-SD 4.3Å; Y327-M345 HydrophobicContact CE1-CG 4.22Å; Y327-M345 HydrophobicContact CG-CG 3.85Å; Y327-M345 HydrophobicContact CG-SD 3.79Å; Y327-D349 HydrophobicContact CE1-CB 3.83Å; Y327-D349 VanDerWaalsContact CE1-CG 3.48Å; Y327-D349 WeakPolarHBondContact CE1-OD2 3.32Å; Y327-D349 WeakPolarHBondContact OH-CB 3.48Å; Y327-D349 VanDerWaalsContact OH-CG 3.31Å; Y327-D349 PolarHBondContact OH-OD1 3.49Å
328L96.8Very high94Very high0 Ų059.3 Ų59.30%030%0.302CS..Hα-helixtrans-61.2-36.2175.1-80.658.3000111.1L291 V295 L323 T325 R326 V331 C367 V370 V371 H406L291-L328 HydrophobicContact CB-CD2 3.62Å; V295-L328 HydrophobicContact CB-CD1 4.4Å; V295-L328 HydrophobicContact CG2-CD1 4.11Å; V295-L328 HydrophobicContact CG2-CD2 3.94Å; V295-L328 HydrophobicContact CG2-CG 4.15Å; L323-L328 HydrophobicContact CD2-CD1 3.28Å; T325-L328 WeakPolarHBondContact O-CB 3.37Å; T325-L328 PolarHBondContact O-N 2.72Å; T325-L328 VanDerWaalsContact O-N 3.07Å; R326-L328 PolarHBondContact O-N 3.23Å; L328-V331 WeakPolarHBondContact O-CG2 3.26Å; L328-C367 HydrophobicContact CG-CB 4.14Å; L328-V370 HydrophobicContact CD2-CG1 4.47Å; L328-V371 HydrophobicContact CB-CG2 3.92Å; L328-V371 HydrophobicContact CD2-CG2 3.77Å; L328-V371 HydrophobicContact CG-CG2 4.16Å; L328-H406 PolarHBondContact O-NE2 2.75Å
329T96.3Very high94Very high10 Ų1056.7 Ų56.76%0.06129%0.292CS..Hα-helixtrans-66.7-49.6172.3-63.50000112.2T325 R326 Y327 E332 R333 F405T325-T329 PolarHBondContact O-N 3.46Å; R326-T329 VanDerWaalsContact O-CB 3.3Å; R326-T329 WeakPolarHBondContact O-CB 3.26Å; R326-T329 PolarHBondContact O-N 3.46Å; R326-T329 VanDerWaalsContact O-N 3.17Å; Y327-T329 PolarHBondContact O-N 3.04Å; T329-E332 PolarHBondContact O-N 2.93Å; T329-R333 PolarHBondContact O-N 2.98Å; T329-F405 HydrophobicContact CG2-CB 4.36Å; T329-F405 WeakPolarHBondContact CG2-O 3.18Å
330D95.5Very high93.9Very high45 Ų4558.2 Ų58.224%0.24129%0.289CS..Hα-helixtrans-66.9-42-173.3-70.6-31.2000112.2R326 Y327 E332 R333 N341R326-D330 PolarHBondContact O-N 2.62Å; Y327-D330 PolarHBondContact O-N 3.37Å; D330-E332 PolarHBondContact O-N 3.5Å; D330-R333 WeakPolarHBondContact O-CB 3.26Å; D330-R333 PolarHBondContact O-N 3.49Å; D330-R333 VanDerWaalsContact O-N 3.1Å; D330-R333 IonicContact OD1-CZ 2.66Å; D330-R333 IonicContact OD1-NE 2.67Å; D330-R333 IonicContact OD1-NH1 3.25Å; D330-R333 PolarHBondContact OD1-NH1 3.03Å; D330-N341 HydrophobicContact CB-CB 4.49Å; D330-N341 PolarHBondContact O-ND2 2.77Å
331V95Very high94Very high1 Ų154.8 Ų54.81%0.00628%0.279CS..Hα-helixtrans-59.3-39.2176-60.50000110.9Y327 L328 R333 D334 T342 M345 R364 C367Y327-V331 WeakPolarHBondContact O-CG1 3.15Å; Y327-V331 WeakPolarHBondContact O-CG2 3.29Å; Y327-V331 PolarHBondContact O-N 3.14Å; L328-V331 WeakPolarHBondContact O-CG2 3.26Å; V331-R333 PolarHBondContact O-N 3.31Å; V331-D334 PolarHBondContact O-N 3.46Å; V331-T342 WeakPolarHBondContact CB-OG1 3.47Å; V331-T342 HydrophobicContact CG1-CG2 4.28Å; V331-T342 WeakPolarHBondContact CG1-OG1 3.26Å; V331-M345 HydrophobicContact CG1-CE 4.34Å; V331-M345 HydrophobicContact CG1-SD 4.28Å; V331-R364 PolarHBondContact O-NE 2.92Å; V331-R364 PolarHBondContact O-NH1 3.2Å; V331-R364 VanDerWaalsContact O-NH1 3.1Å; V331-R364 PolarHBondContact O-NH2 3.45Å; V331-C367 HydrophobicContact CG2-CB 3.65Å
332E94.9Very high94.2Very high4 Ų451.2 Ų51.22%0.01926%0.26CS..THydrogen-bonded Turntrans-73.5-5.9179.3-81-147.8-113.300116.2T329 D330 R364 E368 H406 P407 K408 R412T329-E332 PolarHBondContact O-N 2.93Å; D330-E332 PolarHBondContact O-N 3.5Å; E332-R364 VanDerWaalsContact CA-CZ 3.47Å; E332-R364 VanDerWaalsContact CA-NH1 3.3Å; E332-R364 VanDerWaalsContact N-NH1 3.19Å; E332-E368 HydrophobicContact CG-CG 3.81Å; E332-H406 VanDerWaalsContact CD-CE1 3.48Å; E332-H406 IonicContact OE1-CE1 2.76Å; E332-H406 PolarHBondContact OE1-CE1 2.96Å; E332-H406 IonicContact OE1-NE2 2.79Å; E332-H406 PolarHBondContact OE1-NE2 3.05Å; E332-P407 HydrophobicContact CB-CG 3.84Å; E332-P407 WeakPolarHBondContact O-CG 3.5Å; E332-K408 VanDerWaalsContact OE2-CD 3.29Å; E332-K408 WeakPolarHBondContact OE2-CD 3.48Å; E332-K408 WeakPolarHBondContact OE2-CE 3.49Å; E332-K408 IonicContact OE2-NZ 3.97Å; E332-K408 PolarHBondContact OE2-NZ 3.49Å; E332-R412 IonicContact OE1-CZ 3.38Å; E332-R412 IonicContact OE1-NH1 3.07Å; E332-R412 PolarHBondContact OE1-NH1 2.91Å; E332-R412 IonicContact OE1-NH2 3.56Å; E332-R412 PolarHBondContact OE1-NH2 2.92Å; E332-R412 IonicContact OE2-CZ 3.35Å; E332-R412 IonicContact OE2-NH1 2.69Å; E332-R412 PolarHBondContact OE2-NH1 3.25Å; E332-R412 IonicContact OE2-NH2 2.79Å; E332-R412 PolarHBondContact OE2-NH2 3.3Å
333R94.5Very high94.3Very high125 Ų12553.6 Ų53.647%0.47227%0.268SS..THydrogen-bonded Turntrans-80-20.6171.5-68.4173.8175.8167.4-7.4112.8T329 D330 V331 P407T329-R333 PolarHBondContact O-N 2.98Å; D330-R333 WeakPolarHBondContact O-CB 3.26Å; D330-R333 PolarHBondContact O-N 3.49Å; D330-R333 VanDerWaalsContact O-N 3.1Å; D330-R333 IonicContact OD1-CZ 2.66Å; D330-R333 IonicContact OD1-NE 2.67Å; D330-R333 IonicContact OD1-NH1 3.25Å; D330-R333 PolarHBondContact OD1-NH1 3.03Å; V331-R333 PolarHBondContact O-N 3.31Å; R333-P407 HydrophobicContact CG-CG 4.11Å
334D92.3Very high94.3Very high7 Ų759.5 Ų59.54%0.03729%0.291CS..SBendtrans-66.5137.7178.8-68.2-2.6000110.6V331 L338 L339 Y340 N341V331-D334 PolarHBondContact O-N 3.46Å; D334-L338 WeakPolarHBondContact CB-O 3.49Å; D334-L339 WeakPolarHBondContact OD2-CA 3.37Å; D334-Y340 HydrophobicContact CB-CE1 4.1Å; D334-Y340 WeakPolarHBondContact OD1-CE1 3.31Å; D334-Y340 VanDerWaalsContact OD1-CE2 3.24Å; D334-Y340 WeakPolarHBondContact OD1-CE2 3.47Å; D334-Y340 PolarHBondContact OD1-OH 3.21Å; D334-Y340 PolarHBondContact OD2-N 2.81Å; D334-N341 WeakPolarHBondContact OD1-CB 3.45Å; D334-N341 VanDerWaalsContact OD1-CG 3.26Å; D334-N341 PolarHBondContact OD1-ND2 2.93Å; D334-N341 PolarHBondContact OD2-N 2.92Å
335P90.7Very high94.4Very high58 Ų5855.7 Ų55.738%0.37727%0.271SS..  trans-52.9145.7163.4-2535.3000110.6H337 L338P335-H337 PolarHBondContact O-N 2.95Å; P335-L338 HydrophobicContact CB-CD1 4.4Å; P335-L338 HydrophobicContact CB-CG 4.47Å; P335-L338 HydrophobicContact CG-CD1 4.1Å; P335-L338 PolarHBondContact O-N 2.98Å
336A85.5Confident94.5Very high104 Ų10454.7 Ų54.786%0.8627%0.265SS*.THydrogen-bonded Turntrans-56.5-22.6-17100000115.8
337H87.5Confident94.6Very high159 Ų15950.7 Ų50.774%0.73625%0.254SS*.THydrogen-bonded Turntrans-95.5-1.717962.9-82.4000113.6P335P335-H337 PolarHBondContact O-N 2.95Å
338L92.7Very high94.6Very high75 Ų7553.8 Ų53.839%0.39327%0.272SS..  trans-119.1148.2178.7-58.9-179.8000109.9D334 P335 Y340D334-L338 WeakPolarHBondContact CB-O 3.49Å; P335-L338 HydrophobicContact CB-CD1 4.4Å; P335-L338 HydrophobicContact CB-CG 4.47Å; P335-L338 HydrophobicContact CG-CD1 4.1Å; P335-L338 PolarHBondContact O-N 2.98Å; L338-Y340 HydrophobicContact CB-CD1 3.96Å; L338-Y340 HydrophobicContact CB-CE1 4.25Å; L338-Y340 HydrophobicContact CD1-CD1 4.4Å; L338-Y340 HydrophobicContact CD1-CE1 4.34Å
339L95.3Very high94.5Very high50 Ų5055.7 Ų55.726%0.26228%0.282SS..  trans-137.330.8-175.9-60.4171.1000111.2D334 T342 H343 N360 R361 R364D334-L339 WeakPolarHBondContact OD2-CA 3.37Å; L339-T342 PolarHBondContact O-N 2.99Å; L339-H343 WeakPolarHBondContact O-CB 3.37Å; L339-H343 PolarHBondContact O-N 3.06Å; L339-N360 HydrophobicContact CB-CB 4Å; L339-N360 HydrophobicContact CD1-CB 3.77Å; L339-N360 HydrophobicContact CG-CB 4.46Å; L339-R361 HydrophobicContact CD1-CB 4.15Å; L339-R364 HydrophobicContact CD2-CB 3.81Å; L339-R364 HydrophobicContact CD2-CG 3.58Å
340Y95.2Very high94.4Very high122 Ų12255.3 Ų55.348%0.47828%0.28SS..Hα-helixtrans-68.1-39.8-172.661.3-92.5000112.5D334 L338 T342 H343 Y344D334-Y340 HydrophobicContact CB-CE1 4.1Å; D334-Y340 WeakPolarHBondContact OD1-CE1 3.31Å; D334-Y340 VanDerWaalsContact OD1-CE2 3.24Å; D334-Y340 WeakPolarHBondContact OD1-CE2 3.47Å; D334-Y340 PolarHBondContact OD1-OH 3.21Å; D334-Y340 PolarHBondContact OD2-N 2.81Å; L338-Y340 HydrophobicContact CB-CD1 3.96Å; L338-Y340 HydrophobicContact CB-CE1 4.25Å; L338-Y340 HydrophobicContact CD1-CD1 4.4Å; L338-Y340 HydrophobicContact CD1-CE1 4.34Å; Y340-T342 VanDerWaalsContact C-N 3.31Å; Y340-H343 PolarHBondContact O-N 3.32Å; Y340-Y344 VanDerWaalsContact O-CB 3.28Å; Y340-Y344 WeakPolarHBondContact O-CB 3.46Å; Y340-Y344 PolarHBondContact O-N 3.07Å
341N96.3Very high94.4Very high40 Ų4058.3 Ų58.321%0.21429%0.292CS..Hα-helixtrans-69.8-34.5176.1-78.7-39.4000110.8D330 D334 M345D330-N341 HydrophobicContact CB-CB 4.49Å; D330-N341 PolarHBondContact O-ND2 2.77Å; D334-N341 WeakPolarHBondContact OD1-CB 3.45Å; D334-N341 VanDerWaalsContact OD1-CG 3.26Å; D334-N341 PolarHBondContact OD1-ND2 2.93Å; D334-N341 PolarHBondContact OD2-N 2.92Å; N341-M345 VanDerWaalsContact O-CB 3.23Å; N341-M345 WeakPolarHBondContact O-CB 3.47Å; N341-M345 PolarHBondContact O-N 3.47Å
342T96.9Very high94.4Very high0 Ų058.6 Ų58.60%029%0.294CS..Hα-helixtrans-66-43.9174.4-50.60000110.8V331 L339 Y340 M345 L346 N360 V363 R364V331-T342 WeakPolarHBondContact CB-OG1 3.47Å; V331-T342 HydrophobicContact CG1-CG2 4.28Å; V331-T342 WeakPolarHBondContact CG1-OG1 3.26Å; L339-T342 PolarHBondContact O-N 2.99Å; Y340-T342 VanDerWaalsContact C-N 3.31Å; T342-M345 HydrophobicContact CG2-CE 4.24Å; T342-M345 PolarHBondContact O-N 3.47Å; T342-L346 HydrophobicContact CG2-CD1 4.2Å; T342-L346 VanDerWaalsContact O-CG 3.28Å; T342-L346 WeakPolarHBondContact O-CG 3.46Å; T342-L346 PolarHBondContact O-N 2.98Å; T342-N360 HydrophobicContact CG2-CB 4.3Å; T342-N360 WeakPolarHBondContact CG2-O 3.45Å; T342-V363 HydrophobicContact CG2-CB 4.09Å; T342-V363 HydrophobicContact CG2-CG1 4.01Å; T342-R364 HydrophobicContact CG2-CB 4.4Å; T342-R364 VanDerWaalsContact OG1-CD 3.23Å; T342-R364 WeakPolarHBondContact OG1-CD 3.32Å
343H97.4Very high94.3Very high77 Ų7763.3 Ų63.336%0.35633%0.325SS..Hα-helixtrans-62.7-51177.6-165.566.6000111.6L339 Y340 M345 L346 T347 N360L339-H343 WeakPolarHBondContact O-CB 3.37Å; L339-H343 PolarHBondContact O-N 3.06Å; Y340-H343 PolarHBondContact O-N 3.32Å; H343-M345 VanDerWaalsContact C-N 3.35Å; H343-M345 PolarHBondContact O-N 3.26Å; H343-L346 PolarHBondContact O-N 3.31Å; H343-T347 PolarHBondContact O-N 3.4Å; H343-T347 PolarHBondContact O-OG1 3.41Å; H343-N360 WeakPolarHBondContact CA-OD1 3.07Å; H343-N360 WeakPolarHBondContact CB-OD1 3.47Å; H343-N360 PolarHBondContact N-OD1 2.86Å; H343-N360 PolarHBondContact ND1-ND2 3.09Å; H343-N360 PolarHBondContact ND1-OD1 3.02Å; H343-N360 VanDerWaalsContact ND1-OD1 3.15Å
344Y96.7Very high94.2Very high127 Ų12760.8 Ų60.850%0.49832%0.323SS..Hα-helixtrans-57.2-45.5177.3-177-94000112.2Y340 L346 T347 D348 D349Y340-Y344 VanDerWaalsContact O-CB 3.28Å; Y340-Y344 WeakPolarHBondContact O-CB 3.46Å; Y340-Y344 PolarHBondContact O-N 3.07Å; Y344-L346 VanDerWaalsContact C-N 3.3Å; Y344-L346 PolarHBondContact O-N 2.92Å; Y344-T347 PolarHBondContact O-N 3.5Å; Y344-T347 PolarHBondContact O-OG1 3.18Å; Y344-D348 HydrophobicContact CD1-CB 4.38Å; Y344-D348 HydrophobicContact CD2-CB 3.99Å; Y344-D348 WeakPolarHBondContact CD2-OD2 3.27Å; Y344-D348 HydrophobicContact CE1-CB 4.1Å; Y344-D348 HydrophobicContact CE2-CB 3.68Å; Y344-D348 HydrophobicContact CG-CB 4.34Å; Y344-D348 WeakPolarHBondContact O-CA 3.28Å; Y344-D348 WeakPolarHBondContact O-CB 3.38Å; Y344-D348 PolarHBondContact O-N 2.82Å; Y344-D349 PolarHBondContact O-N 3.21Å
345M96.4Very high94.4Very high3 Ų361.6 Ų61.62%0.01533%0.328CS..Iπ-helixtrans-58-44.8175.3174.1-158.865.200111.1Y327 V331 N341 T342 H343 D349 L350 V363Y327-M345 WeakPolarHBondContact CB-SD 3.28Å; Y327-M345 HydrophobicContact CD1-CB 4.47Å; Y327-M345 HydrophobicContact CD1-CG 3.79Å; Y327-M345 HydrophobicContact CD1-SD 4.26Å; Y327-M345 HydrophobicContact CD2-CG 4.32Å; Y327-M345 HydrophobicContact CD2-SD 4.3Å; Y327-M345 HydrophobicContact CE1-CG 4.22Å; Y327-M345 HydrophobicContact CG-CG 3.85Å; Y327-M345 HydrophobicContact CG-SD 3.79Å; V331-M345 HydrophobicContact CG1-CE 4.34Å; V331-M345 HydrophobicContact CG1-SD 4.28Å; N341-M345 VanDerWaalsContact O-CB 3.23Å; N341-M345 WeakPolarHBondContact O-CB 3.47Å; N341-M345 PolarHBondContact O-N 3.47Å; T342-M345 HydrophobicContact CG2-CE 4.24Å; T342-M345 PolarHBondContact O-N 3.47Å; H343-M345 VanDerWaalsContact C-N 3.35Å; H343-M345 PolarHBondContact O-N 3.26Å; M345-D349 HydrophobicContact CG-CB 4.48Å; M345-D349 CarbonylContact O-C 3.58Å; M345-D349 WeakPolarHBondContact O-CB 3.47Å; M345-D349 PolarHBondContact O-N 3.1Å; M345-L350 HydrophobicContact CE-CD1 4.28Å; M345-L350 HydrophobicContact CG-CD1 4Å; M345-L350 HydrophobicContact CG-CG 4.35Å; M345-L350 WeakPolarHBondContact O-CB 3.39Å; M345-L350 WeakPolarHBondContact O-CG 3.44Å; M345-L350 PolarHBondContact O-N 3.33Å; M345-L350 HydrophobicContact SD-CD1 4.25Å; M345-V363 HydrophobicContact CE-CG1 3.52Å
346L97.5Very high94.6Very high0 Ų061.9 Ų61.90%033%0.325CS..Iπ-helixtrans-67.3-45.1-179.6-69.5172.3000111.6F309 T342 H343 Y344 L350 H351 V352 V355 V363F309-L346 HydrophobicContact CE1-CD1 4.23Å; F309-L346 HydrophobicContact CE1-CD2 4.09Å; F309-L346 HydrophobicContact CZ-CD1 4.48Å; F309-L346 HydrophobicContact CZ-CD2 3.63Å; T342-L346 HydrophobicContact CG2-CD1 4.2Å; T342-L346 VanDerWaalsContact O-CG 3.28Å; T342-L346 WeakPolarHBondContact O-CG 3.46Å; T342-L346 PolarHBondContact O-N 2.98Å; H343-L346 PolarHBondContact O-N 3.31Å; Y344-L346 VanDerWaalsContact C-N 3.3Å; Y344-L346 PolarHBondContact O-N 2.92Å; L346-L350 HydrophobicContact CD2-CD1 4.16Å; L346-L350 CarbonylContact O-C 3.54Å; L346-H351 PolarHBondContact O-N 2.93Å; L346-H351 VanDerWaalsContact O-N 3.15Å; L346-V352 HydrophobicContact CB-CB 4.41Å; L346-V352 HydrophobicContact CB-CG2 4.14Å; L346-V352 HydrophobicContact CD2-CG2 3.97Å; L346-V352 WeakPolarHBondContact O-CB 3.32Å; L346-V352 VanDerWaalsContact O-CG2 3.28Å; L346-V352 WeakPolarHBondContact O-CG2 3.37Å; L346-V352 PolarHBondContact O-N 2.86Å; L346-V355 HydrophobicContact CB-CG1 4.24Å; L346-V355 HydrophobicContact CB-CG2 3.82Å; L346-V355 HydrophobicContact CD1-CG1 3.75Å; L346-V363 HydrophobicContact CD1-CB 4.36Å; L346-V363 HydrophobicContact CD1-CG2 4.18Å; L346-V363 HydrophobicContact CD2-CG1 4.36Å; L346-V363 HydrophobicContact CD2-CG2 4.23Å
347T96.8Very high95Very high43 Ų4361.9 Ų61.926%0.26432%0.316SS..Iπ-helixtrans-78.7-50.8-175.650.10000113.2H343 Y344 H351 V355H343-T347 PolarHBondContact O-N 3.4Å; H343-T347 PolarHBondContact O-OG1 3.41Å; Y344-T347 PolarHBondContact O-N 3.5Å; Y344-T347 PolarHBondContact O-OG1 3.18Å; T347-H351 VanDerWaalsContact O-CA 3.26Å; T347-H351 WeakPolarHBondContact O-CA 3.48Å; T347-H351 PolarHBondContact O-N 2.86Å; T347-V355 HydrophobicContact CG2-CB 4.36Å; T347-V355 HydrophobicContact CG2-CG2 3.85Å
348D95.6Very high95.4Very high80 Ų8054.8 Ų54.843%0.42828%0.283SS..Iπ-helixtrans-93-44-168.4-61.1-107.3000111.7R316 Y344 H351R316-D348 PolarHBondContact NH1-O 2.87Å; Y344-D348 HydrophobicContact CD1-CB 4.38Å; Y344-D348 HydrophobicContact CD2-CB 3.99Å; Y344-D348 WeakPolarHBondContact CD2-OD2 3.27Å; Y344-D348 HydrophobicContact CE1-CB 4.1Å; Y344-D348 HydrophobicContact CE2-CB 3.68Å; Y344-D348 HydrophobicContact CG-CB 4.34Å; Y344-D348 WeakPolarHBondContact O-CA 3.28Å; Y344-D348 WeakPolarHBondContact O-CB 3.38Å; Y344-D348 PolarHBondContact O-N 2.82Å; D348-H351 PolarHBondContact O-CD2 3.45Å; D348-H351 PolarHBondContact O-NE2 2.89Å
349D94.5Very high95.6Very high39 Ų3951.3 Ų51.321%0.20927%0.265CS..Iπ-helixtrans-85.9-32.2-178.3-79.9-69000113.6R316 R326 Y327 Y344 M345R316-D349 WeakPolarHBondContact CD-O 3.33Å; R316-D349 PolarHBondContact NH1-O 3.36Å; R326-D349 IonicContact NH2-OD1 2.64Å; R326-D349 PolarHBondContact NH2-OD1 2.96Å; R326-D349 VanDerWaalsContact NH2-OD1 3.09Å; Y327-D349 HydrophobicContact CE1-CB 3.83Å; Y327-D349 VanDerWaalsContact CE1-CG 3.48Å; Y327-D349 WeakPolarHBondContact CE1-OD2 3.32Å; Y327-D349 WeakPolarHBondContact OH-CB 3.48Å; Y327-D349 VanDerWaalsContact OH-CG 3.31Å; Y327-D349 PolarHBondContact OH-OD1 3.49Å; Y344-D349 PolarHBondContact O-N 3.21Å; M345-D349 HydrophobicContact CG-CB 4.48Å; M345-D349 CarbonylContact O-C 3.58Å; M345-D349 WeakPolarHBondContact O-CB 3.47Å; M345-D349 PolarHBondContact O-N 3.1Å
350L95.2Very high95.7Very high2 Ų249.5 Ų49.51%0.0126%0.256CS..SBendtrans-110.4-6-177.8-64.7174.6000113.5R316 L317 M345 L346 V352R316-L350 HydrophobicContact CB-CD2 4.4Å; L317-L350 HydrophobicContact CD2-CD1 4.13Å; L317-L350 HydrophobicContact CD2-CD2 4.27Å; M345-L350 HydrophobicContact CE-CD1 4.28Å; M345-L350 HydrophobicContact CG-CD1 4Å; M345-L350 HydrophobicContact CG-CG 4.35Å; M345-L350 WeakPolarHBondContact O-CB 3.39Å; M345-L350 WeakPolarHBondContact O-CG 3.44Å; M345-L350 PolarHBondContact O-N 3.33Å; M345-L350 HydrophobicContact SD-CD1 4.25Å; L346-L350 HydrophobicContact CD2-CD1 4.16Å; L346-L350 CarbonylContact O-C 3.54Å; L350-V352 VanDerWaalsContact C-N 3.26Å; L350-V352 HydrophobicContact CB-CG2 4.21Å; L350-V352 PolarHBondContact O-N 3.43Å
351H95.1Very high95.7Very high108 Ų10848.5 Ų48.550%0.525%0.251SS..  trans52.640.9177.9-62.7173000113.4R316 L346 T347 D348 P353R316-H351 PolarHBondContact NH1-CD2 2.85Å; R316-H351 PolarHBondContact NH1-CE1 2.85Å; R316-H351 PolarHBondContact NH1-ND1 2.83Å; R316-H351 PolarHBondContact NH1-NE2 2.88Å; R316-H351 PolarHBondContact NH2-CE1 3.49Å; R316-H351 PolarHBondContact NH2-ND1 2.83Å; R316-H351 PolarHBondContact NH2-NE2 3.09Å; L346-H351 PolarHBondContact O-N 2.93Å; L346-H351 VanDerWaalsContact O-N 3.15Å; T347-H351 VanDerWaalsContact O-CA 3.26Å; T347-H351 WeakPolarHBondContact O-CA 3.48Å; T347-H351 PolarHBondContact O-N 2.86Å; D348-H351 PolarHBondContact O-CD2 3.45Å; D348-H351 PolarHBondContact O-NE2 2.89Å; H351-P353 VanDerWaalsContact O-CD 3.31Å; H351-P353 WeakPolarHBondContact O-CD 3.4Å
352V96.2Very high95.8Very high7 Ų746.6 Ų46.64%0.04224%0.241CC..  trans-69.4118.4172.2-176.50000108.5F309 P314 L346 L350 V354 V355F309-V352 HydrophobicContact CB-CG1 4.44Å; F309-V352 HydrophobicContact CD1-CG1 3.56Å; F309-V352 HydrophobicContact CD2-CG1 4.33Å; F309-V352 HydrophobicContact CE1-CG1 3.82Å; F309-V352 HydrophobicContact CE1-CG2 4.35Å; F309-V352 HydrophobicContact CE2-CG2 4.37Å; F309-V352 HydrophobicContact CG-CG1 3.86Å; F309-V352 HydrophobicContact CZ-CG1 4.35Å; F309-V352 HydrophobicContact CZ-CG2 4.16Å; P314-V352 HydrophobicContact CB-CG2 4.11Å; P314-V352 HydrophobicContact CG-CB 4.08Å; P314-V352 HydrophobicContact CG-CG1 3.92Å; P314-V352 HydrophobicContact CG-CG2 3.58Å; L346-V352 HydrophobicContact CB-CB 4.41Å; L346-V352 HydrophobicContact CB-CG2 4.14Å; L346-V352 HydrophobicContact CD2-CG2 3.97Å; L346-V352 WeakPolarHBondContact O-CB 3.32Å; L346-V352 VanDerWaalsContact O-CG2 3.28Å; L346-V352 WeakPolarHBondContact O-CG2 3.37Å; L346-V352 PolarHBondContact O-N 2.86Å; L350-V352 VanDerWaalsContact C-N 3.26Å; L350-V352 HydrophobicContact CB-CG2 4.21Å; L350-V352 PolarHBondContact O-N 3.43Å; V352-V354 PolarHBondContact O-N 3.31Å; V352-V355 HydrophobicContact CB-CG2 3.65Å; V352-V355 HydrophobicContact CG1-CG2 3.63Å
353P92Very high95.8Very high103 Ų10346.6 Ų46.667%0.66924%0.241SC*.SBendtrans-65.4-36.1-170.8-24.234.2000114.5H351H351-P353 VanDerWaalsContact O-CD 3.31Å; H351-P353 WeakPolarHBondContact O-CD 3.4Å
354V93.3Very high95.8Very high73 Ų7343.4 Ų43.444%0.44223%0.226SC..  trans-134.2118.2179.5-178.60000108V352 E356V352-V354 PolarHBondContact O-N 3.31Å; V354-E356 HydrophobicContact CG1-CG 4.42Å
355V95.8Very high95.9Very high24 Ų2439.2 Ų39.215%0.14521%0.209CC..  trans-119.7112179.3-177.70000108.8L346 T347 V352 D359 N360L346-V355 HydrophobicContact CB-CG1 4.24Å; L346-V355 HydrophobicContact CB-CG2 3.82Å; L346-V355 HydrophobicContact CD1-CG1 3.75Å; T347-V355 HydrophobicContact CG2-CB 4.36Å; T347-V355 HydrophobicContact CG2-CG2 3.85Å; V352-V355 HydrophobicContact CB-CG2 3.65Å; V352-V355 HydrophobicContact CG1-CG2 3.63Å; V355-D359 HydrophobicContact CG1-CB 4.16Å; V355-N360 VanDerWaalsContact CG1-OD1 3.3Å; V355-N360 WeakPolarHBondContact CG1-OD1 3.23Å
356E94.9Very high96Very high63 Ų6339.1 Ų39.129%0.29421%0.209SC..  trans-86.6155.9178-59.6-176.8106.100110.1R310 V354 I358 D359 N360R310-E356 WeakPolarHBondContact CG-OE2 3.47Å; R310-E356 IonicContact CZ-OE1 3.78Å; R310-E356 IonicContact CZ-OE2 3.76Å; R310-E356 IonicContact NE-OE1 2.97Å; R310-E356 IonicContact NE-OE2 2.67Å; R310-E356 PolarHBondContact NE-OE2 3.26Å; R310-E356 IonicContact NH2-OE1 3.71Å; R310-E356 PolarHBondContact NH2-OE1 2.86Å; R310-E356 IonicContact NH2-OE2 3.21Å; V354-E356 HydrophobicContact CG1-CG 4.42Å; E356-I358 HydrophobicContact CB-CG2 4.01Å; E356-I358 PolarHBondContact O-N 3.2Å; E356-I358 VanDerWaalsContact O-N 3.13Å; E356-D359 WeakPolarHBondContact CB-OD2 3.34Å; E356-D359 PolarHBondContact N-OD2 3.5Å; E356-D359 WeakPolarHBondContact O-CB 3.43Å; E356-D359 PolarHBondContact O-N 2.85Å; E356-N360 PolarHBondContact O-N 3.46Å; E356-N360 PolarHBondContact O-ND2 3.31Å; E356-N360 VanDerWaalsContact O-ND2 3.1Å
357P94.2Very high96Very high104 Ų10439.1 Ų39.168%0.67521%0.209SC*.Hα-helixtrans-52.5-36.9178.4-29.536.8000113.5N360 R361P357-N360 PolarHBondContact O-N 3Å; P357-R361 PolarHBondContact O-N 3.21Å
358I95.3Very high96Very high11 Ų1139.2 Ų39.26%0.05621%0.206CC..Hα-helixtrans-65.6-35.6176.2-174.955.5000113D5 L8 F9 E356 N360 R361 I362D5-I358 HydrophobicContact CB-CB 4.23Å; D5-I358 HydrophobicContact CB-CD1 4.15Å; D5-I358 HydrophobicContact CB-CG1 4.14Å; D5-I358 WeakPolarHBondContact O-CD1 3.47Å; L8-I358 HydrophobicContact CB-CG1 4.45Å; F9-I358 HydrophobicContact CB-CD1 4.12Å; F9-I358 HydrophobicContact CD2-CD1 4.46Å; E356-I358 HydrophobicContact CB-CG2 4.01Å; E356-I358 PolarHBondContact O-N 3.2Å; E356-I358 VanDerWaalsContact O-N 3.13Å; I358-N360 PolarHBondContact O-N 3.37Å; I358-R361 PolarHBondContact O-N 3.5Å; I358-I362 HydrophobicContact CD1-CD1 3.95Å; I358-I362 HydrophobicContact CD1-CG1 4.04Å; I358-I362 HydrophobicContact CG1-CD1 3.74Å; I358-I362 HydrophobicContact CG1-CG1 4.3Å; I358-I362 WeakPolarHBondContact O-CG1 3.34Å; I358-I362 PolarHBondContact O-N 2.96Å
359D96.9Very high96.2Very high2 Ų236.3 Ų36.31%0.01119%0.191CC..Hα-helixtrans-62-45.8177.3-65.3-48.8000110.8L308 F309 V355 E356 R361 I362 V363L308-D359 HydrophobicContact CD2-CB 4.01Å; L308-D359 VanDerWaalsContact CD2-OD1 3.28Å; L308-D359 WeakPolarHBondContact CD2-OD1 3.44Å; F309-D359 HydrophobicContact CD1-CB 4.02Å; F309-D359 HydrophobicContact CE1-CB 3.77Å; F309-D359 PolarHBondContact N-OD1 3.35Å; V355-D359 HydrophobicContact CG1-CB 4.16Å; E356-D359 WeakPolarHBondContact CB-OD2 3.34Å; E356-D359 PolarHBondContact N-OD2 3.5Å; E356-D359 WeakPolarHBondContact O-CB 3.43Å; E356-D359 PolarHBondContact O-N 2.85Å; D359-R361 VanDerWaalsContact C-N 3.3Å; D359-R361 PolarHBondContact O-N 3.33Å; D359-I362 PolarHBondContact O-N 3Å; D359-V363 WeakPolarHBondContact O-CB 3.18Å; D359-V363 WeakPolarHBondContact O-CG2 3.32Å; D359-V363 PolarHBondContact O-N 3.38Å
360N96.7Very high96.4Very high12 Ų1234.5 Ų34.56%0.06418%0.181CC..Hα-helixtrans-57.4-46176.3-59.4-66.3000110.7L339 T342 H343 V355 E356 P357 I358 I362 R364L339-N360 HydrophobicContact CB-CB 4Å; L339-N360 HydrophobicContact CD1-CB 3.77Å; L339-N360 HydrophobicContact CG-CB 4.46Å; T342-N360 HydrophobicContact CG2-CB 4.3Å; T342-N360 WeakPolarHBondContact CG2-O 3.45Å; H343-N360 WeakPolarHBondContact CA-OD1 3.07Å; H343-N360 WeakPolarHBondContact CB-OD1 3.47Å; H343-N360 PolarHBondContact N-OD1 2.86Å; H343-N360 PolarHBondContact ND1-ND2 3.09Å; H343-N360 PolarHBondContact ND1-OD1 3.02Å; H343-N360 VanDerWaalsContact ND1-OD1 3.15Å; V355-N360 VanDerWaalsContact CG1-OD1 3.3Å; V355-N360 WeakPolarHBondContact CG1-OD1 3.23Å; E356-N360 PolarHBondContact O-N 3.46Å; E356-N360 PolarHBondContact O-ND2 3.31Å; E356-N360 VanDerWaalsContact O-ND2 3.1Å; P357-N360 PolarHBondContact O-N 3Å; I358-N360 PolarHBondContact O-N 3.37Å; N360-I362 PolarHBondContact O-N 2.84Å; N360-R364 WeakPolarHBondContact O-CB 3.3Å; N360-R364 PolarHBondContact O-N 2.81Å
361R96.6Very high96.5Very high101 Ų10134.4 Ų34.438%0.38118%0.18SC..Hα-helixtrans-63.5-42.3-179.3-175-176.3173.7-172.2-1.8111.8F9 L339 P357 I358 D359 Y365F9-R361 VanDerWaalsContact CD1-NH2 3.31Å; F9-R361 HydrophobicContact CD2-CG 3.96Å; F9-R361 VanDerWaalsContact CE1-NH2 3.34Å; F9-R361 HydrophobicContact CE2-CG 3.71Å; F9-R361 HydrophobicContact CZ-CG 4.48Å; L339-R361 HydrophobicContact CD1-CB 4.15Å; P357-R361 PolarHBondContact O-N 3.21Å; I358-R361 PolarHBondContact O-N 3.5Å; D359-R361 VanDerWaalsContact C-N 3.3Å; D359-R361 PolarHBondContact O-N 3.33Å; R361-Y365 WeakPolarHBondContact O-CB 3.45Å; R361-Y365 PolarHBondContact O-N 3.31Å
362I97.8Very high96.7Very high0 Ų031.7 Ų31.70%017%0.167CC..Hα-helixtrans-67.3-47.4180-72.9170.1000111F9 V12 L302 I307 L308 I358 D359 N360 R364 Y365 A366F9-I362 HydrophobicContact CD2-CG1 4.09Å; V12-I362 HydrophobicContact CG1-CG2 4.07Å; V12-I362 HydrophobicContact CG2-CD1 3.9Å; V12-I362 HydrophobicContact CG2-CG1 3.99Å; V12-I362 HydrophobicContact CG2-CG2 3.88Å; L302-I362 HydrophobicContact CD1-CG2 3.76Å; I307-I362 HydrophobicContact CG2-CD1 3.94Å; L308-I362 HydrophobicContact CD1-CG2 3.98Å; L308-I362 HydrophobicContact CD2-CB 3.8Å; L308-I362 HydrophobicContact CD2-CD1 4.1Å; L308-I362 HydrophobicContact CD2-CG2 3.57Å; L308-I362 HydrophobicContact CG-CG2 3.88Å; I358-I362 HydrophobicContact CD1-CD1 3.95Å; I358-I362 HydrophobicContact CD1-CG1 4.04Å; I358-I362 HydrophobicContact CG1-CD1 3.74Å; I358-I362 HydrophobicContact CG1-CG1 4.3Å; I358-I362 WeakPolarHBondContact O-CG1 3.34Å; I358-I362 PolarHBondContact O-N 2.96Å; D359-I362 PolarHBondContact O-N 3Å; N360-I362 PolarHBondContact O-N 2.84Å; I362-R364 PolarHBondContact O-N 2.85Å; I362-Y365 PolarHBondContact O-N 3.15Å; I362-A366 PolarHBondContact O-N 3.16Å
363V97.8Very high96.8Very high0 Ų031.4 Ų31.40%017%0.165CC..Hα-helixtrans-65.2-41.7-179.1172.20000111I299 L308 F309 T342 M345 L346 D359 Y365 A366 C367I299-V363 HydrophobicContact CD1-CG1 4.13Å; I299-V363 HydrophobicContact CD1-CG2 4.24Å; I299-V363 HydrophobicContact CG1-CG2 4.42Å; L308-V363 HydrophobicContact CD1-CG2 4.08Å; L308-V363 HydrophobicContact CD2-CG2 4.28Å; F309-V363 HydrophobicContact CZ-CG2 4.18Å; T342-V363 HydrophobicContact CG2-CB 4.09Å; T342-V363 HydrophobicContact CG2-CG1 4.01Å; M345-V363 HydrophobicContact CE-CG1 3.52Å; L346-V363 HydrophobicContact CD1-CB 4.36Å; L346-V363 HydrophobicContact CD1-CG2 4.18Å; L346-V363 HydrophobicContact CD2-CG1 4.36Å; L346-V363 HydrophobicContact CD2-CG2 4.23Å; D359-V363 WeakPolarHBondContact O-CB 3.18Å; D359-V363 WeakPolarHBondContact O-CG2 3.32Å; D359-V363 PolarHBondContact O-N 3.38Å; V363-Y365 VanDerWaalsContact C-N 3.34Å; V363-Y365 PolarHBondContact O-N 3.4Å; V363-A366 PolarHBondContact O-N 3.09Å; V363-C367 PolarHBondContact O-N 3.4Å; V363-C367 VanDerWaalsContact O-N 3.1Å; V363-C367 PolarHBondContact O-SG 3.4Å
364R97.4Very high97.1Very high10 Ų1026.5 Ų26.54%0.03813%0.133CC..Hα-helixtrans-53.8-51.4171.3-176.285.7-176.67819.4111.1V331 E332 L339 T342 N360 I362 A366 C367 E368V331-R364 PolarHBondContact O-NE 2.92Å; V331-R364 PolarHBondContact O-NH1 3.2Å; V331-R364 VanDerWaalsContact O-NH1 3.1Å; V331-R364 PolarHBondContact O-NH2 3.45Å; E332-R364 VanDerWaalsContact CA-CZ 3.47Å; E332-R364 VanDerWaalsContact CA-NH1 3.3Å; E332-R364 VanDerWaalsContact N-NH1 3.19Å; L339-R364 HydrophobicContact CD2-CB 3.81Å; L339-R364 HydrophobicContact CD2-CG 3.58Å; T342-R364 HydrophobicContact CG2-CB 4.4Å; T342-R364 VanDerWaalsContact OG1-CD 3.23Å; T342-R364 WeakPolarHBondContact OG1-CD 3.32Å; N360-R364 WeakPolarHBondContact O-CB 3.3Å; N360-R364 PolarHBondContact O-N 2.81Å; I362-R364 PolarHBondContact O-N 2.85Å; R364-A366 PolarHBondContact O-N 2.77Å; R364-C367 WeakPolarHBondContact O-CB 3.08Å; R364-C367 PolarHBondContact O-N 3.24Å; R364-E368 IonicContact CZ-OE1 3.81Å; R364-E368 IonicContact NE-OE1 3Å; R364-E368 IonicContact NH1-OE1 3.96Å; R364-E368 PolarHBondContact NH1-OE1 2.74Å; R364-E368 IonicContact NH2-OE1 2.68Å; R364-E368 PolarHBondContact NH2-OE1 3.08Å; R364-E368 WeakPolarHBondContact O-CG 3.23Å; R364-E368 PolarHBondContact O-N 2.57Å
365Y97.6Very high97.3Very high39 Ų3923 Ų2315%0.15311%0.112CC..Hα-helixtrans-63.5-40.4-178.5-179.5-109.7000112.6F9 V12 V13 L16 R361 I362 V363 C367 E368 M369F9-Y365 HydrophobicContact CE2-CD1 4.32Å; F9-Y365 HydrophobicContact CE2-CG 4.07Å; F9-Y365 HydrophobicContact CZ-CD1 4.29Å; F9-Y365 HydrophobicContact CZ-CD2 4.08Å; F9-Y365 AromaticContact CZ-CG 3.94Å; F9-Y365 HydrophobicContact CZ-CG 3.94Å; V12-Y365 HydrophobicContact CG1-CD1 3.98Å; V12-Y365 HydrophobicContact CG1-CE1 4.37Å; V13-Y365 HydrophobicContact CG2-CE1 3.92Å; L16-Y365 HydrophobicContact CB-CE1 4.28Å; L16-Y365 HydrophobicContact CD1-CD1 3.9Å; L16-Y365 HydrophobicContact CD1-CE1 4.01Å; R361-Y365 WeakPolarHBondContact O-CB 3.45Å; R361-Y365 PolarHBondContact O-N 3.31Å; I362-Y365 PolarHBondContact O-N 3.15Å; V363-Y365 VanDerWaalsContact C-N 3.34Å; V363-Y365 PolarHBondContact O-N 3.4Å; Y365-C367 PolarHBondContact O-N 2.55Å; Y365-E368 PolarHBondContact O-N 3.01Å; Y365-M369 HydrophobicContact CD1-CG 4.37Å; Y365-M369 HydrophobicContact CD2-CG 4.34Å; Y365-M369 HydrophobicContact CE1-CG 3.95Å; Y365-M369 HydrophobicContact CE2-CE 4.05Å; Y365-M369 HydrophobicContact CE2-CG 3.92Å; Y365-M369 HydrophobicContact CE2-SD 4.01Å; Y365-M369 WeakPolarHBondContact O-CG 3.27Å; Y365-M369 PolarHBondContact O-N 3.36Å
366A98.4Very high97.5Very high1 Ų123.4 Ų23.41%0.00811%0.111CC..Hα-helixtrans-60.6-44.2175.500000112.2L16 I298 I362 V363 R364 M369 V370L16-A366 HydrophobicContact CD1-CB 3.97Å; I298-A366 HydrophobicContact CG2-CB 4.03Å; I362-A366 PolarHBondContact O-N 3.16Å; V363-A366 PolarHBondContact O-N 3.09Å; R364-A366 PolarHBondContact O-N 2.77Å; A366-M369 PolarHBondContact O-N 2.8Å; A366-V370 WeakPolarHBondContact O-CG2 3.43Å; A366-V370 PolarHBondContact O-N 3.17Å; A366-V370 VanDerWaalsContact O-N 3.12Å
367C98Very high97.7Very high0 Ų020.4 Ų20.40%010%0.097CC..Hα-helixtrans-59.8-47174.6-63.40000111.5L328 V331 V363 R364 Y365 M369 V370 V371L328-C367 HydrophobicContact CG-CB 4.14Å; V331-C367 HydrophobicContact CG2-CB 3.65Å; V363-C367 PolarHBondContact O-N 3.4Å; V363-C367 VanDerWaalsContact O-N 3.1Å; V363-C367 PolarHBondContact O-SG 3.4Å; R364-C367 WeakPolarHBondContact O-CB 3.08Å; R364-C367 PolarHBondContact O-N 3.24Å; Y365-C367 PolarHBondContact O-N 2.55Å; C367-M369 PolarHBondContact O-N 3Å; C367-V370 PolarHBondContact O-N 2.94Å; C367-V371 WeakPolarHBondContact O-CG2 3.34Å; C367-V371 PolarHBondContact O-N 2.8Å
368E97.5Very high97.9Very high44 Ų4415.5 Ų15.521%0.2067%0.065CC..Hα-helixtrans-61.3-42.5-179.6-71.3-176.115500112.5E332 R364 Y365 K372 K408E332-E368 HydrophobicContact CG-CG 3.81Å; R364-E368 IonicContact CZ-OE1 3.81Å; R364-E368 IonicContact NE-OE1 3Å; R364-E368 IonicContact NH1-OE1 3.96Å; R364-E368 PolarHBondContact NH1-OE1 2.74Å; R364-E368 IonicContact NH2-OE1 2.68Å; R364-E368 PolarHBondContact NH2-OE1 3.08Å; R364-E368 WeakPolarHBondContact O-CG 3.23Å; R364-E368 PolarHBondContact O-N 2.57Å; Y365-E368 PolarHBondContact O-N 3.01Å; E368-K372 WeakPolarHBondContact O-CB 3.5Å; E368-K372 PolarHBondContact O-N 2.9Å; E368-K408 IonicContact OE1-NZ 3.55Å
369M98.2Very high98.1Very high20 Ų2015 Ų1510%0.0996%0.063CC..Hα-helixtrans-65.2-45.1178.3-70.1-60.19200112.4F19 Y365 A366 C367 K372 R373F19-M369 HydrophobicContact CB-CB 4.14Å; Y365-M369 HydrophobicContact CD1-CG 4.37Å; Y365-M369 HydrophobicContact CD2-CG 4.34Å; Y365-M369 HydrophobicContact CE1-CG 3.95Å; Y365-M369 HydrophobicContact CE2-CE 4.05Å; Y365-M369 HydrophobicContact CE2-CG 3.92Å; Y365-M369 HydrophobicContact CE2-SD 4.01Å; Y365-M369 WeakPolarHBondContact O-CG 3.27Å; Y365-M369 PolarHBondContact O-N 3.36Å; A366-M369 PolarHBondContact O-N 2.8Å; C367-M369 PolarHBondContact O-N 3Å; M369-K372 HydrophobicContact CE-CD 4.03Å; M369-R373 WeakPolarHBondContact O-CB 3.39Å; M369-R373 PolarHBondContact O-N 3.44Å
370V98.6Very high98.1Very high0 Ų014.9 Ų14.90%06%0.062CC..Hα-helixtrans-62.5-48.8178168.10000111.1F19 L291 L294 V295 I298 L328 A366 C367 R373 A374F19-V370 HydrophobicContact CD1-CG2 4.15Å; F19-V370 HydrophobicContact CE1-CG2 3.76Å; F19-V370 HydrophobicContact CZ-CG2 4.24Å; L291-V370 HydrophobicContact CB-CG1 4.14Å; L291-V370 HydrophobicContact CD2-CG1 3.8Å; L291-V370 HydrophobicContact CG-CG1 4.43Å; L294-V370 HydrophobicContact CD2-CG1 3.98Å; L294-V370 HydrophobicContact CD2-CG2 4.29Å; L294-V370 HydrophobicContact CG-CG1 4.44Å; L294-V370 HydrophobicContact CG-CG2 4.28Å; V295-V370 HydrophobicContact CG2-CB 3.92Å; V295-V370 HydrophobicContact CG2-CG1 4.1Å; V295-V370 HydrophobicContact CG2-CG2 3.81Å; I298-V370 HydrophobicContact CD1-CG2 3.57Å; L328-V370 HydrophobicContact CD2-CG1 4.47Å; A366-V370 WeakPolarHBondContact O-CG2 3.43Å; A366-V370 PolarHBondContact O-N 3.17Å; A366-V370 VanDerWaalsContact O-N 3.12Å; C367-V370 PolarHBondContact O-N 2.94Å; V370-R373 PolarHBondContact O-N 2.87Å; V370-A374 WeakPolarHBondContact O-CB 3.04Å; V370-A374 PolarHBondContact O-N 3.14Å
371V98.3Very high98.2Very high0 Ų014.3 Ų14.30%06%0.059CC..Hα-helixtrans-70.9-37.6-178.6-178.40000112L291 L328 C367 R373 A374 A375 H406 F409L291-V371 HydrophobicContact CD1-CG2 4.42Å; L328-V371 HydrophobicContact CB-CG2 3.92Å; L328-V371 HydrophobicContact CD2-CG2 3.77Å; L328-V371 HydrophobicContact CG-CG2 4.16Å; C367-V371 WeakPolarHBondContact O-CG2 3.34Å; C367-V371 PolarHBondContact O-N 2.8Å; V371-R373 PolarHBondContact O-N 2.9Å; V371-A374 PolarHBondContact O-N 3.35Å; V371-A375 WeakPolarHBondContact O-CB 3.48Å; V371-A375 PolarHBondContact O-N 3.36Å; V371-H406 WeakPolarHBondContact CG1-NE2 3.42Å; V371-F409 HydrophobicContact CG1-CD2 3.76Å; V371-F409 HydrophobicContact CG1-CE2 4.35Å
372K98.4Very high98.3Very high51 Ų519.5 Ų9.522%0.2224%0.041CC..Hα-helixtrans-58.2-49.5175.2-179.9-169.7175.2-163.50110.7D20 E368 M369 A374 A375 Y376D20-K372 IonicContact OD1-NZ 3.36Å; D20-K372 PolarHBondContact OD1-NZ 3.09Å; E368-K372 WeakPolarHBondContact O-CB 3.5Å; E368-K372 PolarHBondContact O-N 2.9Å; M369-K372 HydrophobicContact CE-CD 4.03Å; K372-A374 VanDerWaalsContact C-N 3.35Å; K372-A374 PolarHBondContact O-N 2.89Å; K372-A375 PolarHBondContact O-N 3.38Å; K372-Y376 PolarHBondContact O-N 3.1Å
373R98.7Very high98.4Very high1 Ų19.5 Ų9.50%0.0044%0.041CC..Hα-helixtrans-59.5-45.2176.4-171.5-164.566.1174.34.3111.5F19 D267 M369 V370 V371 A375 Y376 L377F19-R373 VanDerWaalsContact CE1-CZ 3.49Å; D267-R373 IonicContact OD1-CZ 3.87Å; D267-R373 VanDerWaalsContact OD1-CZ 3.3Å; D267-R373 IonicContact OD1-NH1 2.89Å; D267-R373 PolarHBondContact OD1-NH1 3.11Å; D267-R373 IonicContact OD1-NH2 3.48Å; D267-R373 PolarHBondContact OD1-NH2 3.43Å; D267-R373 IonicContact OD2-CZ 3.98Å; D267-R373 IonicContact OD2-NH1 3.9Å; D267-R373 PolarHBondContact OD2-NH1 2.85Å; D267-R373 IonicContact OD2-NH2 3.99Å; M369-R373 WeakPolarHBondContact O-CB 3.39Å; M369-R373 PolarHBondContact O-N 3.44Å; V370-R373 PolarHBondContact O-N 2.87Å; V371-R373 PolarHBondContact O-N 2.9Å; R373-A375 PolarHBondContact O-N 3.44Å; R373-Y376 PolarHBondContact O-N 3.23Å; R373-L377 HydrophobicContact CG-CD1 4.1Å; R373-L377 HydrophobicContact CG-CG 4.39Å; R373-L377 WeakPolarHBondContact O-CB 3.29Å; R373-L377 VanDerWaalsContact O-CG 3.28Å; R373-L377 WeakPolarHBondContact O-CG 3.46Å; R373-L377 PolarHBondContact O-N 2.64Å
374A98.7Very high98.4Very high0 Ų09.8 Ų9.80%04%0.043CC..Hα-helixtrans-58.2-46.7177.600000112.9L291 V370 V371 K372 L377 A378 F409L291-A374 HydrophobicContact CD1-CB 3.8Å; L291-A374 HydrophobicContact CD2-CB 3.86Å; L291-A374 HydrophobicContact CG-CB 4.48Å; V370-A374 WeakPolarHBondContact O-CB 3.04Å; V370-A374 PolarHBondContact O-N 3.14Å; V371-A374 PolarHBondContact O-N 3.35Å; K372-A374 VanDerWaalsContact C-N 3.35Å; K372-A374 PolarHBondContact O-N 2.89Å; A374-L377 PolarHBondContact O-N 3.14Å; A374-A378 PolarHBondContact O-N 3.03Å; A374-F409 HydrophobicContact CB-CE2 4.13Å
375A98.6Very high98.5Very high0 Ų09.3 Ų9.30%04%0.041CC..Hα-helixtrans-64.9-40178.400000112.3V371 K372 R373 A378 G379 F409 R412 M413V371-A375 WeakPolarHBondContact O-CB 3.48Å; V371-A375 PolarHBondContact O-N 3.36Å; K372-A375 PolarHBondContact O-N 3.38Å; R373-A375 PolarHBondContact O-N 3.44Å; A375-A378 PolarHBondContact O-N 2.74Å; A375-G379 PolarHBondContact O-N 3.42Å; A375-F409 VanDerWaalsContact CA-CZ 3.44Å; A375-F409 HydrophobicContact CB-CD1 4.05Å; A375-F409 HydrophobicContact CB-CD2 3.86Å; A375-F409 HydrophobicContact CB-CE1 4Å; A375-F409 HydrophobicContact CB-CE2 3.81Å; A375-F409 HydrophobicContact CB-CG 3.97Å; A375-F409 HydrophobicContact CB-CZ 3.89Å; A375-R412 HydrophobicContact CB-CB 3.67Å; A375-M413 WeakPolarHBondContact O-CA 3.47Å
376Y98.8Very high98.5Very high33 Ų337.4 Ų7.413%0.1293%0.034CC..Hα-helixtrans-70.7-38.5177.9-80.1-157.5000112Y26 K372 R373 G379 A380 R412 D415 M416Y26-Y376 HydrophobicContact CD2-CD1 4.21Å; Y26-Y376 AromaticContact CE2-CD1 3.55Å; Y26-Y376 HydrophobicContact CE2-CD1 3.55Å; Y26-Y376 HydrophobicContact CE2-CG 4.24Å; Y26-Y376 AromaticContact CZ-CD1 3.84Å; Y26-Y376 WeakPolarHBondContact OH-CB 3.4Å; K372-Y376 PolarHBondContact O-N 3.1Å; R373-Y376 PolarHBondContact O-N 3.23Å; Y376-G379 PolarHBondContact O-N 2.88Å; Y376-A380 WeakPolarHBondContact O-CB 3.24Å; Y376-A380 PolarHBondContact O-N 3.36Å; Y376-R412 HydrophobicContact CD2-CB 3.88Å; Y376-R412 VanDerWaalsContact CD2-O 3.26Å; Y376-R412 WeakPolarHBondContact CD2-O 3.27Å; Y376-R412 HydrophobicContact CE2-CB 3.64Å; Y376-R412 HydrophobicContact CE2-CG 4.09Å; Y376-R412 WeakPolarHBondContact CE2-O 3.16Å; Y376-D415 PolarHBondContact OH-OD2 3.18Å; Y376-M416 HydrophobicContact CD1-CE 3.21Å; Y376-M416 HydrophobicContact CD2-CB 4.13Å; Y376-M416 HydrophobicContact CD2-CE 4.49Å; Y376-M416 HydrophobicContact CE1-CE 3.59Å; Y376-M416 HydrophobicContact CG-CB 4.17Å; Y376-M416 HydrophobicContact CG-CE 3.71Å; Y376-M416 HydrophobicContact CG-CG 4.48Å; Y376-M416 WeakPolarHBondContact O-CG 3.49Å
377L98.8Very high98.5Very high0 Ų011 Ų110%05%0.047CC..Hα-helixtrans-58.2-49.9171.9-75.4169.7000110.7Y26 I29 Y282 M285 V286 R373 A374 G379 A380 G381Y26-L377 HydrophobicContact CD1-CD2 4.36Å; Y26-L377 HydrophobicContact CE1-CD2 4Å; Y26-L377 HydrophobicContact CE1-CG 4.06Å; I29-L377 HydrophobicContact CD1-CD2 3.9Å; I29-L377 HydrophobicContact CG2-CD2 4.32Å; Y282-L377 HydrophobicContact CE2-CB 4.01Å; Y282-L377 HydrophobicContact CE2-CD2 4.23Å; Y282-L377 PolarHBondContact OH-O 2.62Å; M285-L377 HydrophobicContact CB-CD1 3.8Å; M285-L377 HydrophobicContact CE-CD1 3.8Å; V286-L377 HydrophobicContact CG2-CB 3.71Å; V286-L377 HydrophobicContact CG2-CD1 4.01Å; R373-L377 HydrophobicContact CG-CD1 4.1Å; R373-L377 HydrophobicContact CG-CG 4.39Å; R373-L377 WeakPolarHBondContact O-CB 3.29Å; R373-L377 VanDerWaalsContact O-CG 3.28Å; R373-L377 WeakPolarHBondContact O-CG 3.46Å; R373-L377 PolarHBondContact O-N 2.64Å; A374-L377 PolarHBondContact O-N 3.14Å; L377-G379 VanDerWaalsContact C-N 3.29Å; L377-G379 PolarHBondContact O-N 3.46Å; L377-A380 PolarHBondContact O-N 3.45Å; L377-G381 PolarHBondContact O-N 2.88Å
378A98.7Very high98.4Very high0 Ų013.4 Ų13.40%06%0.056CC..Hα-helixtrans-58.8-41.7176.600000111.7V286 A374 A375 G381 I382 F409 M413V286-A378 HydrophobicContact CG1-CB 4.1Å; A374-A378 PolarHBondContact O-N 3.03Å; A375-A378 PolarHBondContact O-N 2.74Å; A378-G381 PolarHBondContact O-N 2.97Å; A378-I382 WeakPolarHBondContact O-CG1 3.33Å; A378-I382 PolarHBondContact O-N 2.8Å; A378-F409 HydrophobicContact CB-CE1 4.37Å; A378-F409 HydrophobicContact CB-CZ 4.34Å; A378-M413 HydrophobicContact CB-CG 4.3Å; A378-M413 HydrophobicContact CB-SD 3.9Å
379G98.6Very high98.3Very high0 Ų012.3 Ų12.30%05%0.051CC..Hα-helixtrans-64.6-42177.100000113.2A375 Y376 L377 G381 I382 A383 V417A375-G379 PolarHBondContact O-N 3.42Å; Y376-G379 PolarHBondContact O-N 2.88Å; L377-G379 VanDerWaalsContact C-N 3.29Å; L377-G379 PolarHBondContact O-N 3.46Å; G379-G381 VanDerWaalsContact C-N 3.31Å; G379-G381 PolarHBondContact O-N 3.38Å; G379-I382 PolarHBondContact O-N 2.93Å; G379-A383 PolarHBondContact O-N 2.65Å; G379-V417 VanDerWaalsContact O-CG2 3.3Å; G379-V417 WeakPolarHBondContact O-CG2 3.44Å
380A98.7Very high98.1Very high0 Ų017.3 Ų17.30%08%0.079CC..Hα-helixtrans-62.7-39.4173.600000111.7Y26 Y376 L377 A383 C384 M416 L420Y26-A380 HydrophobicContact CD1-CB 4.19Å; Y376-A380 WeakPolarHBondContact O-CB 3.24Å; Y376-A380 PolarHBondContact O-N 3.36Å; L377-A380 PolarHBondContact O-N 3.45Å; A380-A383 PolarHBondContact O-N 3.18Å; A380-C384 PolarHBondContact O-N 2.93Å; A380-M416 HydrophobicContact CB-CG 4.33Å; A380-L420 HydrophobicContact CB-CD1 3.93Å
381G98.7Very high97.9Very high0 Ų020.7 Ų20.70%09%0.091CC..Hα-helixtrans-60.4-46.4172.800000112.3M33 L377 A378 G379 A383 C384 I385M33-G381 VanDerWaalsContact SD-CA 3.6Å; L377-G381 PolarHBondContact O-N 2.88Å; A378-G381 PolarHBondContact O-N 2.97Å; G379-G381 VanDerWaalsContact C-N 3.31Å; G379-G381 PolarHBondContact O-N 3.38Å; G381-A383 PolarHBondContact O-N 3.43Å; G381-C384 VanDerWaalsContact O-CB 3.28Å; G381-C384 WeakPolarHBondContact O-CB 3.48Å; G381-C384 PolarHBondContact O-N 3.4Å; G381-I385 WeakPolarHBondContact O-CG1 3.49Å; G381-I385 PolarHBondContact O-N 2.98Å; G381-I385 VanDerWaalsContact O-N 3.07Å
382I98.7Very high97.9Very high1 Ų124.6 Ų24.61%0.00512%0.119CC..Hα-helixtrans-63.9-39.9175.8-68.3-57.9000111.8V214 L216 V224 W250 A378 G379 C384 I385 L386 V396 V417V214-I382 HydrophobicContact CG1-CD1 4.14Å; L216-I382 HydrophobicContact CB-CD1 4.26Å; L216-I382 HydrophobicContact CD1-CD1 4.05Å; L216-I382 HydrophobicContact CD2-CD1 3.91Å; L216-I382 HydrophobicContact CD2-CG1 3.94Å; L216-I382 HydrophobicContact CG-CD1 4.27Å; V224-I382 HydrophobicContact CG2-CD1 4.16Å; W250-I382 HydrophobicContact CH2-CD1 3.98Å; W250-I382 HydrophobicContact CH2-CG1 4.27Å; W250-I382 HydrophobicContact CZ3-CD1 4.4Å; A378-I382 WeakPolarHBondContact O-CG1 3.33Å; A378-I382 PolarHBondContact O-N 2.8Å; G379-I382 PolarHBondContact O-N 2.93Å; I382-C384 VanDerWaalsContact C-N 3.28Å; I382-C384 PolarHBondContact O-N 3.18Å; I382-I385 WeakPolarHBondContact O-CB 3.38Å; I382-I385 PolarHBondContact O-N 3.5Å; I382-I385 VanDerWaalsContact O-N 3.12Å; I382-L386 HydrophobicContact CG2-CD1 4.25Å; I382-L386 HydrophobicContact CG2-CG 4.3Å; I382-L386 WeakPolarHBondContact O-CG 3.18Å; I382-L386 PolarHBondContact O-N 3.16Å; I382-V396 HydrophobicContact CD1-CG1 4.18Å; I382-V396 HydrophobicContact CG2-CG2 4.27Å; I382-V417 HydrophobicContact CB-CG2 3.86Å; I382-V417 HydrophobicContact CG2-CG1 4.15Å; I382-V417 HydrophobicContact CG2-CG2 3.76Å
383A98.6Very high97.8Very high0 Ų026.1 Ų26.10%013%0.127CC..Hα-helixtrans-59.2-40.2173.900000112G379 A380 G381 I385 L386 R387 L420G379-A383 PolarHBondContact O-N 2.65Å; A380-A383 PolarHBondContact O-N 3.18Å; G381-A383 PolarHBondContact O-N 3.43Å; A383-I385 PolarHBondContact O-N 3.12Å; A383-L386 PolarHBondContact O-N 3.46Å; A383-R387 VanDerWaalsContact O-CG 3.31Å; A383-R387 WeakPolarHBondContact O-CG 3.46Å; A383-R387 PolarHBondContact O-N 3.37Å; A383-L420 HydrophobicContact CB-CB 3.46Å; A383-L420 VanDerWaalsContact CB-CB 3.46Å
384C98.6Very high97.8Very high5 Ų526.3 Ų26.33%0.03413%0.128CC..Hα-helixtrans-58.1-46.5172.4178.20000111.8C30 M33 G34 M37 A380 G381 I382 L386 R387 R388C30-C384 VanDerWaalsContact SG-CA 3.56Å; C30-C384 VanDerWaalsContact SG-CB 3.57Å; M33-C384 HydrophobicContact CG-CB 4.47Å; M33-C384 HydrophobicContact SD-CB 4.26Å; G34-C384 WeakPolarHBondContact CA-SG 3.35Å; G34-C384 PolarHBondContact N-SG 2.83Å; G34-C384 VanDerWaalsContact N-SG 3.36Å; M37-C384 VanDerWaalsContact SD-SG 3.64Å; A380-C384 PolarHBondContact O-N 2.93Å; G381-C384 VanDerWaalsContact O-CB 3.28Å; G381-C384 WeakPolarHBondContact O-CB 3.48Å; G381-C384 PolarHBondContact O-N 3.4Å; I382-C384 VanDerWaalsContact C-N 3.28Å; I382-C384 PolarHBondContact O-N 3.18Å; C384-L386 PolarHBondContact O-N 3.02Å; C384-R387 PolarHBondContact O-N 2.83Å; C384-R388 WeakPolarHBondContact O-CB 3.15Å; C384-R388 PolarHBondContact O-N 3.49Å; C384-R388 VanDerWaalsContact O-N 3.07Å
385I98.5Very high97.7Very high0 Ų026.5 Ų26.50%013%0.129CC..Hα-helixtrans-60.3-44.4175.5-59.3-53.2000111.4M37 V214 V224 Y226 T248 W250 G381 I382 A383 R388 I389M37-I385 HydrophobicContact CE-CD1 3.3Å; M37-I385 HydrophobicContact SD-CD1 3.75Å; V214-I385 HydrophobicContact CG1-CG2 4.21Å; V214-I385 HydrophobicContact CG2-CG2 3.61Å; V224-I385 HydrophobicContact CG1-CD1 4.01Å; V224-I385 HydrophobicContact CG1-CG1 4.15Å; V224-I385 HydrophobicContact CG2-CG1 4.33Å; Y226-I385 HydrophobicContact CD1-CD1 4.14Å; Y226-I385 HydrophobicContact CD2-CG2 4.38Å; Y226-I385 HydrophobicContact CG-CG2 3.99Å; T248-I385 HydrophobicContact CG2-CD1 4.33Å; W250-I385 HydrophobicContact CZ3-CG1 4.48Å; G381-I385 WeakPolarHBondContact O-CG1 3.49Å; G381-I385 PolarHBondContact O-N 2.98Å; G381-I385 VanDerWaalsContact O-N 3.07Å; I382-I385 WeakPolarHBondContact O-CB 3.38Å; I382-I385 PolarHBondContact O-N 3.5Å; I382-I385 VanDerWaalsContact O-N 3.12Å; A383-I385 PolarHBondContact O-N 3.12Å; I385-R388 WeakPolarHBondContact O-CB 3.49Å; I385-R388 PolarHBondContact O-N 3.07Å; I385-R388 VanDerWaalsContact O-N 3.13Å; I385-I389 HydrophobicContact CG2-CD1 3.57Å; I385-I389 HydrophobicContact CG2-CG1 4.17Å; I385-I389 WeakPolarHBondContact O-CG1 3.4Å; I385-I389 PolarHBondContact O-N 3.37Å
386L98.5Very high97.7Very high0 Ų026.5 Ų26.50%013%0.129CC..Hα-helixtrans-64.8-41.2179.1-66.4179.1000112.4I382 A383 C384 R388 N390 V394 V417 K421 T425 F427I382-L386 HydrophobicContact CG2-CD1 4.25Å; I382-L386 HydrophobicContact CG2-CG 4.3Å; I382-L386 WeakPolarHBondContact O-CG 3.18Å; I382-L386 PolarHBondContact O-N 3.16Å; A383-L386 PolarHBondContact O-N 3.46Å; C384-L386 PolarHBondContact O-N 3.02Å; L386-R388 PolarHBondContact O-N 3.43Å; L386-N390 PolarHBondContact O-N 3.36Å; L386-V394 HydrophobicContact CD2-CB 3.73Å; L386-V394 HydrophobicContact CD2-CG1 3.71Å; L386-V394 HydrophobicContact CD2-CG2 4Å; L386-V417 HydrophobicContact CD1-CG1 3.64Å; L386-K421 HydrophobicContact CD1-CB 4.08Å; L386-T425 HydrophobicContact CB-CG2 4.46Å; L386-T425 HydrophobicContact CD1-CG2 4.48Å; L386-T425 HydrophobicContact CD2-CG2 4.34Å; L386-F427 HydrophobicContact CD1-CB 3.89Å; L386-F427 HydrophobicContact CD1-CD1 4.36Å; L386-F427 HydrophobicContact CD1-CG 4.1Å; L386-F427 HydrophobicContact CD2-CB 4.45Å
387R97.5Very high97.6Very high75 Ų7525 Ų2528%0.28312%0.123SC..Hα-helixtrans-57-38.3172.5-72.4173.5-176.3-160.7-3111E27 D31 A383 C384 L420 P422E27-R387 IonicContact OE1-NH2 2.99Å; E27-R387 PolarHBondContact OE1-NH2 2.92Å; D31-R387 IonicContact OD1-NH1 3.3Å; D31-R387 PolarHBondContact OD1-NH1 3.22Å; A383-R387 VanDerWaalsContact O-CG 3.31Å; A383-R387 WeakPolarHBondContact O-CG 3.46Å; A383-R387 PolarHBondContact O-N 3.37Å; C384-R387 PolarHBondContact O-N 2.83Å; R387-L420 PolarHBondContact NE-O 2.86Å; R387-L420 PolarHBondContact NH2-O 2.78Å; R387-P422 HydrophobicContact CB-CG 4.36Å; R387-P422 HydrophobicContact CG-CG 3.97Å
388R96.4Very high97.6Very high51 Ų5125 Ų2519%0.19212%0.123CC..Hα-helixtrans-75.7-46.8-178-170.4172.2-165.18411.6113.9M37 Y226 E228 C384 I385 L386 N390M37-R388 VanDerWaalsContact CE-CD 3.49Å; Y226-R388 HydrophobicContact CE2-CG 4.4Å; Y226-R388 WeakPolarHBondContact OH-CD 3.35Å; Y226-R388 PolarHBondContact OH-NE 2.89Å; Y226-R388 VanDerWaalsContact OH-NE 3.08Å; E228-R388 WeakPolarHBondContact OE2-CD 3.42Å; E228-R388 IonicContact OE2-CZ 2.71Å; E228-R388 IonicContact OE2-NE 3.66Å; E228-R388 PolarHBondContact OE2-NE 3.26Å; E228-R388 IonicContact OE2-NH2 2.7Å; C384-R388 WeakPolarHBondContact O-CB 3.15Å; C384-R388 PolarHBondContact O-N 3.49Å; C384-R388 VanDerWaalsContact O-N 3.07Å; I385-R388 WeakPolarHBondContact O-CB 3.49Å; I385-R388 PolarHBondContact O-N 3.07Å; I385-R388 VanDerWaalsContact O-N 3.13Å; L386-R388 PolarHBondContact O-N 3.43Å; R388-N390 VanDerWaalsContact C-N 3.28Å; R388-N390 PolarHBondContact O-N 3.38Å
389I95.9Very high97.4Very high22 Ų2226.1 Ų26.111%0.11313%0.129CC..Hα-helixtrans-64.5-36.6179.1-69.2171.8000110.8A213 V214 Y226 I385 R391 V394A213-I389 HydrophobicContact CB-CD1 4.17Å; V214-I389 HydrophobicContact CG2-CD1 3.48Å; V214-I389 VanDerWaalsContact CG2-CD1 3.48Å; Y226-I389 HydrophobicContact CD2-CD1 4.02Å; Y226-I389 HydrophobicContact CD2-CG1 3.65Å; Y226-I389 HydrophobicContact CE2-CG1 4.34Å; Y226-I389 HydrophobicContact CG-CD1 4.45Å; I385-I389 HydrophobicContact CG2-CD1 3.57Å; I385-I389 HydrophobicContact CG2-CG1 4.17Å; I385-I389 WeakPolarHBondContact O-CG1 3.4Å; I385-I389 PolarHBondContact O-N 3.37Å; I389-R391 VanDerWaalsContact C-N 3.27Å; I389-R391 HydrophobicContact CG2-CB 3.87Å; I389-R391 HydrophobicContact CG2-CG 3.47Å; I389-R391 VanDerWaalsContact CG2-CG 3.47Å; I389-R391 PolarHBondContact O-N 3.13Å; I389-V394 HydrophobicContact CG2-CG2 4.25Å
390N93.7Very high97.1Very high125 Ų12526.7 Ų26.767%0.66814%0.135SC*.  trans5341.1176.6-167.138.2000113.9L386 R388L386-N390 PolarHBondContact O-N 3.36Å; R388-N390 VanDerWaalsContact C-N 3.28Å; R388-N390 PolarHBondContact O-N 3.38Å
391R95.8Very high96.8Very high71 Ų7129.4 Ų29.427%0.26815%0.154SC..  trans-97.5150.4172-70.9172.7-170-171.1-0.8110.1E243 I389 V394 T425E243-R391 IonicContact OE1-CZ 2.78Å; E243-R391 IonicContact OE1-NH2 2.64Å; E243-R391 PolarHBondContact OE1-NH2 2.96Å; E243-R391 IonicContact OE2-NH2 3.72Å; E243-R391 PolarHBondContact OE2-NH2 3.38Å; I389-R391 VanDerWaalsContact C-N 3.27Å; I389-R391 HydrophobicContact CG2-CB 3.87Å; I389-R391 HydrophobicContact CG2-CG 3.47Å; I389-R391 VanDerWaalsContact CG2-CG 3.47Å; I389-R391 PolarHBondContact O-N 3.13Å; R391-V394 HydrophobicContact CB-CG2 3.66Å; R391-T425 WeakPolarHBondContact O-CG2 3.5Å; R391-T425 PolarHBondContact O-OG1 3Å
392S96.5Very high96.5Very high82 Ų8229.5 Ų29.557%0.57315%0.154SC*.SBendtrans-72.2-30.7178.253.20000113.1T425 R426S392-T425 CarbonylContact O-C 3.56Å; S392-T425 WeakPolarHBondContact O-CA 3.42Å; S392-R426 PolarHBondContact O-N 3.39Å
393E97.4Very high96.4Very high83 Ų8330.5 Ų30.539%0.38816%0.159SC..EExtended strand (participates in β ladder)trans-134.9128.4176.5-63.1-174104.700109.4K211 R426K211-E393 HydrophobicContact CD-CB 4.18Å; K211-E393 IonicContact NZ-OE1 2.79Å; K211-E393 PolarHBondContact NZ-OE1 2.81Å; K211-E393 IonicContact NZ-OE2 3.49Å; K211-E393 PolarHBondContact NZ-OE2 3.45Å; E393-R426 WeakPolarHBondContact CA-O 3.33Å; E393-R426 HydrophobicContact CG-CB 4.43Å
394V97.9Very high96.1Very high4 Ų434.6 Ų34.62%0.02418%0.176CC..EExtended strand (participates in β ladder)trans-138.3127.6-179.8179.70000110.4A213 V214 L386 I389 R391 V396 R426 F427 C428A213-V394 HydrophobicContact CB-CG1 4.06Å; V214-V394 HydrophobicContact CG2-CG1 4.06Å; L386-V394 HydrophobicContact CD2-CB 3.73Å; L386-V394 HydrophobicContact CD2-CG1 3.71Å; L386-V394 HydrophobicContact CD2-CG2 4Å; I389-V394 HydrophobicContact CG2-CG2 4.25Å; R391-V394 HydrophobicContact CB-CG2 3.66Å; V394-V396 HydrophobicContact CG1-CG2 4.48Å; V394-R426 PolarHBondContact N-O 3.03Å; V394-F427 CarbonylContact O-C 3.51Å; V394-F427 WeakPolarHBondContact O-CA 3.32Å; V394-C428 PolarHBondContact O-N 2.97Å
395T97.8Very high95.9Very high5 Ų539.6 Ų39.63%0.03120%0.197CC..EExtended strand (participates in β ladder)trans-93.2135.2165.6-62.30000109.7D209 K211 C212 A213 C428 R430D209-T395 HydrophobicContact CB-CG2 4.37Å; D209-T395 VanDerWaalsContact OD2-CB 3.27Å; D209-T395 WeakPolarHBondContact OD2-CB 3.43Å; D209-T395 WeakPolarHBondContact OD2-CG2 3.33Å; D209-T395 PolarHBondContact OD2-OG1 2.77Å; K211-T395 PolarHBondContact O-N 3.21Å; C212-T395 WeakPolarHBondContact CA-O 3.46Å; C212-T395 HydrophobicContact CB-CG2 4.37Å; A213-T395 PolarHBondContact N-O 3.1Å; A213-T395 VanDerWaalsContact N-O 3.09Å; T395-C428 WeakPolarHBondContact CA-O 3.11Å; T395-R430 HydrophobicContact CG2-CB 3.93Å
396V98.3Very high95.8Very high0 Ų039.8 Ų39.80%020%0.199CC..EExtended strand (participates in β ladder)trans-108.8106.9174.3-177.20000107V214 L216 I382 V394 V398 C428 L429 R430V214-V396 HydrophobicContact CB-CB 4.28Å; V214-V396 HydrophobicContact CB-CG1 4.01Å; V214-V396 HydrophobicContact CB-CG2 4.07Å; V214-V396 HydrophobicContact CG1-CG1 3.86Å; V214-V396 HydrophobicContact CG1-CG2 4.5Å; V214-V396 HydrophobicContact CG2-CG2 4.31Å; L216-V396 HydrophobicContact CB-CG1 3.98Å; I382-V396 HydrophobicContact CD1-CG1 4.18Å; I382-V396 HydrophobicContact CG2-CG2 4.27Å; V394-V396 HydrophobicContact CG1-CG2 4.48Å; V396-V398 HydrophobicContact CG1-CG2 3.99Å; V396-V398 PolarHBondContact O-N 2.89Å; V396-C428 PolarHBondContact N-O 2.91Å; V396-L429 HydrophobicContact CB-CD2 3.76Å; V396-L429 HydrophobicContact CG1-CD2 4.1Å; V396-L429 HydrophobicContact CG2-CD2 4.12Å; V396-R430 PolarHBondContact O-N 2.9Å
397G97.1Very high95.7Very high0 Ų042.9 Ų42.90%022%0.219CC..EExtended strand (participates in β ladder)trans-70.8122.3169.300000109.1T201 V214 G215 L216 R430T201-G397 WeakPolarHBondContact CG2-O 3.2Å; V214-G397 PolarHBondContact O-N 3.49Å; G215-G397 CarbonylContact C-O 3.45Å; G215-G397 WeakPolarHBondContact CA-O 3.36Å; L216-G397 PolarHBondContact N-O 2.98Å; G397-R430 CarbonylContact C-O 3.21Å; G397-R430 WeakPolarHBondContact CA-O 3.5Å
398V97.1Very high95.7Very high0 Ų042.3 Ų42.30%022%0.218CC..EExtended strand (participates in β ladder)trans-116.7133.2-179-168.80000109.5L216 V396 Y403 L429 R430 L431 S432L216-V398 HydrophobicContact CB-CG1 4.43Å; L216-V398 HydrophobicContact CB-CG2 4.32Å; L216-V398 HydrophobicContact CD2-CG1 3.94Å; L216-V398 HydrophobicContact CD2-CG2 4Å; L216-V398 HydrophobicContact CG-CG1 4.17Å; L216-V398 CarbonylContact O-C 3.41Å; L216-V398 WeakPolarHBondContact O-CA 3.47Å; V396-V398 HydrophobicContact CG1-CG2 3.99Å; V396-V398 PolarHBondContact O-N 2.89Å; V398-Y403 HydrophobicContact CB-CD1 3.98Å; V398-Y403 HydrophobicContact CB-CE1 3.83Å; V398-Y403 HydrophobicContact CB-CE2 4.48Å; V398-Y403 HydrophobicContact CB-CG 4.37Å; V398-Y403 HydrophobicContact CG1-CD1 3.49Å; V398-Y403 VanDerWaalsContact CG1-CD1 3.49Å; V398-Y403 HydrophobicContact CG1-CD2 3.78Å; V398-Y403 HydrophobicContact CG1-CE1 3.84Å; V398-Y403 HydrophobicContact CG1-CE2 4.11Å; V398-Y403 HydrophobicContact CG1-CG 3.46Å; V398-Y403 VanDerWaalsContact CG1-CG 3.46Å; V398-Y403 HydrophobicContact CG2-CE1 4.44Å; V398-Y403 HydrophobicContact CG2-CE2 4.44Å; V398-L429 HydrophobicContact CG2-CB 4.36Å; V398-L429 HydrophobicContact CG2-CD2 4.38Å; V398-R430 PolarHBondContact N-O 2.78Å; V398-L431 CarbonylContact O-C 3.53Å; V398-L431 WeakPolarHBondContact O-CA 3.33Å; V398-S432 PolarHBondContact O-N 2.58Å
399D94.3Very high95.8Very high24 Ų2439.9 Ų39.913%0.12821%0.209CC..EExtended strand (participates in β ladder)trans-132158.5169.1-165.95.2000109.9T201 L216 I217 V218T201-D399 HydrophobicContact CG2-CB 3.99Å; L216-D399 PolarHBondContact O-N 3.25Å; I217-D399 CarbonylContact C-O 3.5Å; I217-D399 WeakPolarHBondContact CA-O 3.49Å; I217-D399 HydrophobicContact CD1-CB 3.84Å; V218-D399 PolarHBondContact N-O 2.96Å
400G92.8Very high95.8Very high13 Ų1341 Ų4113%0.13422%0.218CC..  trans124.5146.2177.200000114.4V218 L402 Y403 K404V218-G400 CarbonylContact O-C 3.19Å; V218-G400 VanDerWaalsContact O-CA 3.3Å; V218-G400 WeakPolarHBondContact O-CA 3.35Å; G400-L402 PolarHBondContact O-N 3.13Å; G400-Y403 PolarHBondContact O-N 2.84Å; G400-K404 WeakPolarHBondContact O-CB 3.48Å; G400-K404 PolarHBondContact O-N 2.91Å
401S92Very high96Very high56 Ų5641.5 Ų41.539%0.39222%0.216SC..Hα-helixtrans-62.5-36.7-17452.20000113.8K404 F405S401-K404 PolarHBondContact O-N 2.68Å; S401-F405 WeakPolarHBondContact O-CB 3.44Å; S401-F405 WeakPolarHBondContact O-CD2 3.39Å; S401-F405 PolarHBondContact O-N 2.9Å
402L93.9Very high96.1Very high2 Ų239.6 Ų39.61%0.0121%0.209CC..Hα-helixtrans-69-43-177.3-179.163.2000110.7V218 V286 L291 T325 G400 H406 F409V218-L402 HydrophobicContact CG1-CB 4.18Å; V218-L402 HydrophobicContact CG1-CD2 4.01Å; V218-L402 HydrophobicContact CG1-CG 4.28Å; V218-L402 PolarHBondContact O-N 3.04Å; V286-L402 VanDerWaalsContact O-CD2 3.28Å; V286-L402 WeakPolarHBondContact O-CD2 3.45Å; L291-L402 HydrophobicContact CD1-CD1 4.44Å; L291-L402 HydrophobicContact CD1-CD2 3.7Å; T325-L402 HydrophobicContact CG2-CD1 3.97Å; G400-L402 PolarHBondContact O-N 3.13Å; L402-H406 HydrophobicContact CD1-CB 4.13Å; L402-H406 WeakPolarHBondContact O-CB 3.31Å; L402-H406 PolarHBondContact O-N 2.96Å; L402-F409 HydrophobicContact CD1-CD2 4.17Å; L402-F409 HydrophobicContact CD1-CE2 4.46Å; L402-F409 HydrophobicContact CD2-CD2 4.03Å; L402-F409 HydrophobicContact CD2-CE2 3.51Å; L402-F409 HydrophobicContact CD2-CZ 4.09Å; L402-F409 HydrophobicContact CG-CD2 3.76Å; L402-F409 HydrophobicContact CG-CE2 3.77Å; L402-F409 HydrophobicContact CG-CG 4.43Å; L402-F409 HydrophobicContact CG-CZ 4.44Å
403Y95.2Very high96.2Very high23 Ų2335.7 Ų35.79%0.0918%0.182CC..Hα-helixtrans-65.5-43.1172.5177.6-96.6000112.3V218 V398 G400 F409 C410 M413 L429 L431V218-Y403 PolarHBondContact O-N 3.25Å; V398-Y403 HydrophobicContact CB-CD1 3.98Å; V398-Y403 HydrophobicContact CB-CE1 3.83Å; V398-Y403 HydrophobicContact CB-CE2 4.48Å; V398-Y403 HydrophobicContact CB-CG 4.37Å; V398-Y403 HydrophobicContact CG1-CD1 3.49Å; V398-Y403 VanDerWaalsContact CG1-CD1 3.49Å; V398-Y403 HydrophobicContact CG1-CD2 3.78Å; V398-Y403 HydrophobicContact CG1-CE1 3.84Å; V398-Y403 HydrophobicContact CG1-CE2 4.11Å; V398-Y403 HydrophobicContact CG1-CG 3.46Å; V398-Y403 VanDerWaalsContact CG1-CG 3.46Å; V398-Y403 HydrophobicContact CG2-CE1 4.44Å; V398-Y403 HydrophobicContact CG2-CE2 4.44Å; G400-Y403 PolarHBondContact O-N 2.84Å; Y403-F409 HydrophobicContact CD2-CD1 4.43Å; Y403-C410 HydrophobicContact CD2-CB 4.17Å; Y403-C410 HydrophobicContact CE2-CB 3.59Å; Y403-C410 VanDerWaalsContact CE2-SG 3.55Å; Y403-C410 PolarHBondContact OH-SG 3.38Å; Y403-M413 HydrophobicContact CD2-CE 3.72Å; Y403-M413 HydrophobicContact CE2-CE 3.5Å; Y403-L429 HydrophobicContact CE2-CD1 4.26Å; Y403-L429 WeakPolarHBondContact OH-CB 3.21Å; Y403-L431 HydrophobicContact CD1-CD1 3.84Å; Y403-L431 HydrophobicContact CE1-CB 4.43Å; Y403-L431 HydrophobicContact CE1-CD1 3.95Å
404K93.7Very high96.3Very high86 Ų8633.6 Ų33.637%0.37418%0.175SC..Hα-helixtrans-68-43.7-176.1-175.5172.4-174.1164.20113.6G400 S401 L431 E433G400-K404 WeakPolarHBondContact O-CB 3.48Å; G400-K404 PolarHBondContact O-N 2.91Å; S401-K404 PolarHBondContact O-N 2.68Å; K404-L431 HydrophobicContact CB-CD1 4.41Å; K404-L431 HydrophobicContact CD-CD2 4.5Å; K404-L431 HydrophobicContact CG-CD2 4.37Å; K404-E433 WeakPolarHBondContact CE-OE1 3.24Å; K404-E433 IonicContact NZ-OE1 3.28Å; K404-E433 PolarHBondContact NZ-OE1 3.31Å
405F94.3Very high96.3Very high109 Ų10936 Ų3648%0.47819%0.187SC..Hα-helixtrans-103.2-22.6-166.8-60.2-59000114.3T329 S401T329-F405 HydrophobicContact CG2-CB 4.36Å; T329-F405 WeakPolarHBondContact CG2-O 3.18Å; S401-F405 WeakPolarHBondContact O-CB 3.44Å; S401-F405 WeakPolarHBondContact O-CD2 3.39Å; S401-F405 PolarHBondContact O-N 2.9Å
406H96.7Very high96.3Very high5 Ų535.8 Ų35.82%0.02319%0.186CC..  trans-79.1122-178-170.7-73.9000111.4L328 E332 V371 L402 K408 F409L328-H406 PolarHBondContact O-NE2 2.75Å; E332-H406 VanDerWaalsContact CD-CE1 3.48Å; E332-H406 IonicContact OE1-CE1 2.76Å; E332-H406 PolarHBondContact OE1-CE1 2.96Å; E332-H406 IonicContact OE1-NE2 2.79Å; E332-H406 PolarHBondContact OE1-NE2 3.05Å; V371-H406 WeakPolarHBondContact CG1-NE2 3.42Å; L402-H406 HydrophobicContact CD1-CB 4.13Å; L402-H406 WeakPolarHBondContact O-CB 3.31Å; L402-H406 PolarHBondContact O-N 2.96Å; H406-K408 VanDerWaalsContact C-N 3.28Å; H406-K408 PolarHBondContact ND1-N 3.29Å; H406-K408 PolarHBondContact O-N 3.14Å; H406-K408 VanDerWaalsContact O-N 3.11Å; H406-F409 HydrophobicContact CB-CB 3.8Å; H406-F409 PolarHBondContact ND1-N 3.43Å; H406-F409 PolarHBondContact O-N 2.82Å
407P96.2Very high96.3Very high65 Ų6535.8 Ų35.842%0.42219%0.186SC..THydrogen-bonded Turntrans-63-29.3-165.623-34.2000114.5E332 R333E332-P407 HydrophobicContact CB-CG 3.84Å; E332-P407 WeakPolarHBondContact O-CG 3.5Å; R333-P407 HydrophobicContact CG-CG 4.11Å
408K97Very high96.4Very high62 Ų6239.9 Ų39.927%0.2721%0.208SC..THydrogen-bonded Turntrans-114.82.8-176.4-54.1-170.4-158.5137.90114.8E332 E368 H406 R412E332-K408 VanDerWaalsContact OE2-CD 3.29Å; E332-K408 WeakPolarHBondContact OE2-CD 3.48Å; E332-K408 WeakPolarHBondContact OE2-CE 3.49Å; E332-K408 IonicContact OE2-NZ 3.97Å; E332-K408 PolarHBondContact OE2-NZ 3.49Å; E368-K408 IonicContact OE1-NZ 3.55Å; H406-K408 VanDerWaalsContact C-N 3.28Å; H406-K408 PolarHBondContact ND1-N 3.29Å; H406-K408 PolarHBondContact O-N 3.14Å; H406-K408 VanDerWaalsContact O-N 3.11Å; K408-R412 WeakPolarHBondContact O-CB 3.2Å; K408-R412 WeakPolarHBondContact O-CD 3.2Å; K408-R412 VanDerWaalsContact O-CG 3.22Å; K408-R412 WeakPolarHBondContact O-CG 3.42Å; K408-R412 PolarHBondContact O-N 2.79Å; K408-R412 VanDerWaalsContact O-N 3.12Å
409F97.9Very high96.4Very high0 Ų044.5 Ų44.50%023%0.228CC..Hα-helixtrans-69.7-47.8-172.7-165.3-74.1000110.9V218 V371 A374 A375 A378 L402 Y403 H406 E411 R412 M413V218-F409 HydrophobicContact CG1-CD1 4.46Å; V218-F409 HydrophobicContact CG1-CE1 3.62Å; V218-F409 HydrophobicContact CG1-CE2 4.36Å; V218-F409 HydrophobicContact CG1-CZ 3.54Å; V371-F409 HydrophobicContact CG1-CD2 3.76Å; V371-F409 HydrophobicContact CG1-CE2 4.35Å; A374-F409 HydrophobicContact CB-CE2 4.13Å; A375-F409 VanDerWaalsContact CA-CZ 3.44Å; A375-F409 HydrophobicContact CB-CD1 4.05Å; A375-F409 HydrophobicContact CB-CD2 3.86Å; A375-F409 HydrophobicContact CB-CE1 4Å; A375-F409 HydrophobicContact CB-CE2 3.81Å; A375-F409 HydrophobicContact CB-CG 3.97Å; A375-F409 HydrophobicContact CB-CZ 3.89Å; A378-F409 HydrophobicContact CB-CE1 4.37Å; A378-F409 HydrophobicContact CB-CZ 4.34Å; L402-F409 HydrophobicContact CD1-CD2 4.17Å; L402-F409 HydrophobicContact CD1-CE2 4.46Å; L402-F409 HydrophobicContact CD2-CD2 4.03Å; L402-F409 HydrophobicContact CD2-CE2 3.51Å; L402-F409 HydrophobicContact CD2-CZ 4.09Å; L402-F409 HydrophobicContact CG-CD2 3.76Å; L402-F409 HydrophobicContact CG-CE2 3.77Å; L402-F409 HydrophobicContact CG-CG 4.43Å; L402-F409 HydrophobicContact CG-CZ 4.44Å; Y403-F409 HydrophobicContact CD2-CD1 4.43Å; H406-F409 HydrophobicContact CB-CB 3.8Å; H406-F409 PolarHBondContact ND1-N 3.43Å; H406-F409 PolarHBondContact O-N 2.82Å; F409-E411 PolarHBondContact O-N 3.04Å; F409-R412 PolarHBondContact O-N 3.19Å; F409-M413 HydrophobicContact CD1-CB 4.46Å; F409-M413 HydrophobicContact CE1-CB 4.45Å; F409-M413 HydrophobicContact CE1-SD 4.05Å; F409-M413 VanDerWaalsContact O-CB 3.29Å; F409-M413 WeakPolarHBondContact O-CB 3.26Å; F409-M413 PolarHBondContact O-N 3.44Å
410C97.1Very high96.6Very high45 Ų4543.6 Ų43.630%0.30422%0.223SC..Hα-helixtrans-58.4-47.3177.71800000112.1Y403 M413 T414Y403-C410 HydrophobicContact CD2-CB 4.17Å; Y403-C410 HydrophobicContact CE2-CB 3.59Å; Y403-C410 VanDerWaalsContact CE2-SG 3.55Å; Y403-C410 PolarHBondContact OH-SG 3.38Å; C410-M413 PolarHBondContact O-N 2.97Å; C410-T414 WeakPolarHBondContact O-CB 3.34Å; C410-T414 PolarHBondContact O-N 2.88Å; C410-T414 PolarHBondContact O-OG1 2.9Å
411E97.5Very high96.8Very high136 Ų13645 Ų4564%0.63623%0.226SC*.Hα-helixtrans-58.2-51.3178.4-177.1-17016200111.5F409 M413 T414 D415F409-E411 PolarHBondContact O-N 3.04Å; E411-M413 PolarHBondContact O-N 2.74Å; E411-T414 WeakPolarHBondContact O-CB 3.46Å; E411-T414 PolarHBondContact O-N 3.01Å; E411-D415 WeakPolarHBondContact O-CB 3.33Å; E411-D415 PolarHBondContact O-N 2.98Å
412R98.3Very high97Very high31 Ų3143.8 Ų43.812%0.11722%0.216CC..Hα-helixtrans-63.8-41-179.7-72.4174.4-179.6155.31.6112.7E332 A375 Y376 K408 F409 D415 M416E332-R412 IonicContact OE1-CZ 3.38Å; E332-R412 IonicContact OE1-NH1 3.07Å; E332-R412 PolarHBondContact OE1-NH1 2.91Å; E332-R412 IonicContact OE1-NH2 3.56Å; E332-R412 PolarHBondContact OE1-NH2 2.92Å; E332-R412 IonicContact OE2-CZ 3.35Å; E332-R412 IonicContact OE2-NH1 2.69Å; E332-R412 PolarHBondContact OE2-NH1 3.25Å; E332-R412 IonicContact OE2-NH2 2.79Å; E332-R412 PolarHBondContact OE2-NH2 3.3Å; A375-R412 HydrophobicContact CB-CB 3.67Å; Y376-R412 HydrophobicContact CD2-CB 3.88Å; Y376-R412 VanDerWaalsContact CD2-O 3.26Å; Y376-R412 WeakPolarHBondContact CD2-O 3.27Å; Y376-R412 HydrophobicContact CE2-CB 3.64Å; Y376-R412 HydrophobicContact CE2-CG 4.09Å; Y376-R412 WeakPolarHBondContact CE2-O 3.16Å; K408-R412 WeakPolarHBondContact O-CB 3.2Å; K408-R412 WeakPolarHBondContact O-CD 3.2Å; K408-R412 VanDerWaalsContact O-CG 3.22Å; K408-R412 WeakPolarHBondContact O-CG 3.42Å; K408-R412 PolarHBondContact O-N 2.79Å; K408-R412 VanDerWaalsContact O-N 3.12Å; F409-R412 PolarHBondContact O-N 3.19Å; R412-D415 PolarHBondContact O-N 2.78Å; R412-M416 PolarHBondContact O-N 3Å; R412-M416 VanDerWaalsContact O-N 3.16Å
413M98.3Very high97.1Very high0 Ų053.3 Ų53.30%026%0.258CS..Hα-helixtrans-63.5-45.7176.4-171.8175.775.200110.5L216 A375 A378 Y403 F409 C410 E411 D415 M416 V417 L429L216-M413 HydrophobicContact CD2-CE 3.95Å; L216-M413 HydrophobicContact CD2-SD 3.93Å; A375-M413 WeakPolarHBondContact O-CA 3.47Å; A378-M413 HydrophobicContact CB-CG 4.3Å; A378-M413 HydrophobicContact CB-SD 3.9Å; Y403-M413 HydrophobicContact CD2-CE 3.72Å; Y403-M413 HydrophobicContact CE2-CE 3.5Å; F409-M413 HydrophobicContact CD1-CB 4.46Å; F409-M413 HydrophobicContact CE1-CB 4.45Å; F409-M413 HydrophobicContact CE1-SD 4.05Å; F409-M413 VanDerWaalsContact O-CB 3.29Å; F409-M413 WeakPolarHBondContact O-CB 3.26Å; F409-M413 PolarHBondContact O-N 3.44Å; C410-M413 PolarHBondContact O-N 2.97Å; E411-M413 PolarHBondContact O-N 2.74Å; M413-D415 PolarHBondContact O-N 3.07Å; M413-M416 PolarHBondContact O-N 3.2Å; M413-V417 VanDerWaalsContact O-CG2 3.3Å; M413-V417 WeakPolarHBondContact O-CG2 3.44Å; M413-V417 PolarHBondContact O-N 3.21Å; M413-L429 HydrophobicContact CE-CD1 3.42Å; M413-L429 VanDerWaalsContact CE-CD1 3.42Å; M413-L429 HydrophobicContact CE-CD2 4.27Å; M413-L429 HydrophobicContact CE-CG 4.45Å
414T98.3Very high97Very high39 Ų3959.1 Ų59.124%0.23929%0.29CS..Hα-helixtrans-58.7-47.9177.2-55.90000111.3C410 E411 M416 V417 D418 F427 L429C410-T414 WeakPolarHBondContact O-CB 3.34Å; C410-T414 PolarHBondContact O-N 2.88Å; C410-T414 PolarHBondContact O-OG1 2.9Å; E411-T414 WeakPolarHBondContact O-CB 3.46Å; E411-T414 PolarHBondContact O-N 3.01Å; T414-M416 VanDerWaalsContact C-N 3.32Å; T414-M416 PolarHBondContact O-N 2.74Å; T414-V417 PolarHBondContact O-N 3.23Å; T414-V417 VanDerWaalsContact O-N 3.15Å; T414-D418 PolarHBondContact O-N 3.27Å; T414-F427 HydrophobicContact CG2-CE2 4.21Å; T414-F427 HydrophobicContact CG2-CZ 3.8Å; T414-L429 WeakPolarHBondContact OG1-CD1 3.23Å
415D98.4Very high97.2Very high54 Ų5455.1 Ų55.129%0.28927%0.273SS..Hα-helixtrans-56.6-42.6177.9170.358.2000112.6Y376 E411 R412 M413 K419Y376-D415 PolarHBondContact OH-OD2 3.18Å; E411-D415 WeakPolarHBondContact O-CB 3.33Å; E411-D415 PolarHBondContact O-N 2.98Å; R412-D415 PolarHBondContact O-N 2.78Å; M413-D415 PolarHBondContact O-N 3.07Å; D415-K419 WeakPolarHBondContact O-CD 3.16Å; D415-K419 WeakPolarHBondContact O-CG 3.5Å; D415-K419 PolarHBondContact O-N 2.95Å; D415-K419 WeakPolarHBondContact OD1-CE 3.43Å; D415-K419 IonicContact OD1-NZ 3.49Å; D415-K419 PolarHBondContact OD1-NZ 3.11Å; D415-K419 IonicContact OD2-NZ 3.4Å; D415-K419 PolarHBondContact OD2-NZ 2.9Å
416M98.5Very high97.4Very high1 Ų158.7 Ų58.71%0.00528%0.284CS..Hα-helixtrans-71.5-38.6176.2-172.952.865.600112.9Y26 Y376 A380 R412 M413 T414 D418 K419 L420Y26-M416 HydrophobicContact CD2-CE 3.35Å; Y26-M416 HydrophobicContact CD2-SD 4.19Å; Y26-M416 HydrophobicContact CE2-CE 3.88Å; Y26-M416 HydrophobicContact CG-CE 3.77Å; Y26-M416 HydrophobicContact CG-SD 4.04Å; Y376-M416 HydrophobicContact CD1-CE 3.21Å; Y376-M416 HydrophobicContact CD2-CB 4.13Å; Y376-M416 HydrophobicContact CD2-CE 4.49Å; Y376-M416 HydrophobicContact CE1-CE 3.59Å; Y376-M416 HydrophobicContact CG-CB 4.17Å; Y376-M416 HydrophobicContact CG-CE 3.71Å; Y376-M416 HydrophobicContact CG-CG 4.48Å; Y376-M416 WeakPolarHBondContact O-CG 3.49Å; A380-M416 HydrophobicContact CB-CG 4.33Å; R412-M416 PolarHBondContact O-N 3Å; R412-M416 VanDerWaalsContact O-N 3.16Å; M413-M416 PolarHBondContact O-N 3.2Å; T414-M416 VanDerWaalsContact C-N 3.32Å; T414-M416 PolarHBondContact O-N 2.74Å; M416-D418 VanDerWaalsContact C-N 3.32Å; M416-D418 PolarHBondContact O-N 3.49Å; M416-K419 PolarHBondContact O-N 3.33Å; M416-L420 HydrophobicContact CG-CD1 4.23Å; M416-L420 PolarHBondContact O-N 3.47Å; M416-L420 HydrophobicContact SD-CD1 3.67Å; M416-L420 HydrophobicContact SD-CG 3.94Å
417V98.4Very high97.4Very high0 Ų060.3 Ų60.30%029%0.291CS..Hα-helixtrans-59.9-45.1174178.20000110.4G379 I382 L386 M413 T414 K419 L420 K421 F427G379-V417 VanDerWaalsContact O-CG2 3.3Å; G379-V417 WeakPolarHBondContact O-CG2 3.44Å; I382-V417 HydrophobicContact CB-CG2 3.86Å; I382-V417 HydrophobicContact CG2-CG1 4.15Å; I382-V417 HydrophobicContact CG2-CG2 3.76Å; L386-V417 HydrophobicContact CD1-CG1 3.64Å; M413-V417 VanDerWaalsContact O-CG2 3.3Å; M413-V417 WeakPolarHBondContact O-CG2 3.44Å; M413-V417 PolarHBondContact O-N 3.21Å; T414-V417 PolarHBondContact O-N 3.23Å; T414-V417 VanDerWaalsContact O-N 3.15Å; V417-K419 VanDerWaalsContact C-N 3.26Å; V417-K419 PolarHBondContact O-N 3.29Å; V417-L420 PolarHBondContact O-N 2.93Å; V417-K421 HydrophobicContact CG1-CB 4.4Å; V417-K421 VanDerWaalsContact O-CB 3.23Å; V417-K421 WeakPolarHBondContact O-CB 3.27Å; V417-K421 WeakPolarHBondContact O-CG 3.3Å; V417-K421 PolarHBondContact O-N 3.38Å; V417-F427 HydrophobicContact CB-CE1 4.1Å; V417-F427 HydrophobicContact CB-CE2 3.96Å; V417-F427 HydrophobicContact CB-CZ 3.63Å; V417-F427 HydrophobicContact CG1-CD1 3.8Å; V417-F427 HydrophobicContact CG1-CD2 3.95Å; V417-F427 HydrophobicContact CG1-CE1 3.51Å; V417-F427 HydrophobicContact CG1-CE2 3.67Å; V417-F427 HydrophobicContact CG1-CG 4.01Å; V417-F427 HydrophobicContact CG1-CZ 3.44Å; V417-F427 VanDerWaalsContact CG1-CZ 3.44Å; V417-F427 HydrophobicContact CG2-CE2 4.47Å
418D97.9Very high97.4Very high86 Ų8660.3 Ų60.346%0.4629%0.291SS..Hα-helixtrans-60.2-35.3179.9-92.2-41.9000113.1T414 M416 K421 F427T414-D418 PolarHBondContact O-N 3.27Å; M416-D418 VanDerWaalsContact C-N 3.32Å; M416-D418 PolarHBondContact O-N 3.49Å; D418-K421 WeakPolarHBondContact OD1-CE 3.35Å; D418-F427 WeakPolarHBondContact OD1-CE1 3.32Å
419K98.1Very high97.4Very high98 Ų9858.7 Ų58.743%0.42629%0.286SS..Hα-helixtrans-70.6-34.7177.8-73.5165.7-176.9157.20113.3V23 D415 M416 V417V23-K419 HydrophobicContact CG1-CB 4.39Å; V23-K419 HydrophobicContact CG2-CD 4.06Å; D415-K419 WeakPolarHBondContact O-CD 3.16Å; D415-K419 WeakPolarHBondContact O-CG 3.5Å; D415-K419 PolarHBondContact O-N 2.95Å; D415-K419 WeakPolarHBondContact OD1-CE 3.43Å; D415-K419 IonicContact OD1-NZ 3.49Å; D415-K419 PolarHBondContact OD1-NZ 3.11Å; D415-K419 IonicContact OD2-NZ 3.4Å; D415-K419 PolarHBondContact OD2-NZ 2.9Å; M416-K419 PolarHBondContact O-N 3.33Å; V417-K419 VanDerWaalsContact C-N 3.26Å; V417-K419 PolarHBondContact O-N 3.29Å
420L98.3Very high97.3Very high4 Ų462.8 Ų62.82%0.02130%0.301CS..Hα-helixtrans-110-14.2-168.7-62.3-176.6000114.7V23 E27 C30 A380 A383 R387 M416 V417V23-L420 HydrophobicContact CG1-CD2 4.2Å; E27-L420 HydrophobicContact CB-CD2 3.77Å; E27-L420 HydrophobicContact CG-CD2 4.26Å; C30-L420 HydrophobicContact CB-CD1 4.39Å; A380-L420 HydrophobicContact CB-CD1 3.93Å; A383-L420 HydrophobicContact CB-CB 3.46Å; A383-L420 VanDerWaalsContact CB-CB 3.46Å; R387-L420 PolarHBondContact NE-O 2.86Å; R387-L420 PolarHBondContact NH2-O 2.78Å; M416-L420 HydrophobicContact CG-CD1 4.23Å; M416-L420 PolarHBondContact O-N 3.47Å; M416-L420 HydrophobicContact SD-CD1 3.67Å; M416-L420 HydrophobicContact SD-CG 3.94Å; V417-L420 PolarHBondContact O-N 2.93Å
421K97.3Very high97.1Very high44 Ų4463.5 Ų63.519%0.19130%0.301CS..SBendtrans-63.7158.5179.369.3-177.7-178.368.90112.4L386 V417 D418 T425 F427L386-K421 HydrophobicContact CD1-CB 4.08Å; V417-K421 HydrophobicContact CG1-CB 4.4Å; V417-K421 VanDerWaalsContact O-CB 3.23Å; V417-K421 WeakPolarHBondContact O-CB 3.27Å; V417-K421 WeakPolarHBondContact O-CG 3.3Å; V417-K421 PolarHBondContact O-N 3.38Å; D418-K421 WeakPolarHBondContact OD1-CE 3.35Å; K421-T425 PolarHBondContact NZ-O 2.79Å; K421-F427 HydrophobicContact CD-CD1 3.56Å; K421-F427 HydrophobicContact CD-CE1 3.7Å
422P96.6Very high96.7Very high29 Ų2957.4 Ų57.419%0.18827%0.274CS..  trans-57.3141168.9-21.933.2000111.9R387 N424 T425R387-P422 HydrophobicContact CB-CG 4.36Å; R387-P422 HydrophobicContact CG-CG 3.97Å; P422-N424 PolarHBondContact O-N 2.68Å; P422-N424 VanDerWaalsContact O-N 3.14Å; P422-T425 PolarHBondContact O-N 3.04Å
423K94.5Very high95.7Very high202 Ų20260.5 Ų60.588%0.87829%0.29SS*.THydrogen-bonded Turntrans-55.6-35.9-176.4-67.7-173.4179.6-178.90113.5
424N94.5Very high94.6Very high145 Ų14562.7 Ų62.778%0.77530%0.301SS*.THydrogen-bonded Turntrans-91.1-0.1-176.4-62.9-21.6000113.8P422P422-N424 PolarHBondContact O-N 2.68Å; P422-N424 VanDerWaalsContact O-N 3.14Å
425T97.5Very high93.8Very high3 Ų360.8 Ų60.82%0.01829%0.29CS..  trans-94.5125179.7-62.50000110.1L386 R391 S392 K421 P422L386-T425 HydrophobicContact CB-CG2 4.46Å; L386-T425 HydrophobicContact CD1-CG2 4.48Å; L386-T425 HydrophobicContact CD2-CG2 4.34Å; R391-T425 WeakPolarHBondContact O-CG2 3.5Å; R391-T425 PolarHBondContact O-OG1 3Å; S392-T425 CarbonylContact O-C 3.56Å; S392-T425 WeakPolarHBondContact O-CA 3.42Å; K421-T425 PolarHBondContact NZ-O 2.79Å; P422-T425 PolarHBondContact O-N 3.04Å
426R97.4Very high93.4Very high184 Ų18458.4 Ų58.469%0.69428%0.277SS*.EExtended strand (participates in β ladder)trans-96.4136.4164.6-63.4178.9179.4175.3-1.1108S392 E393 V394S392-R426 PolarHBondContact O-N 3.39Å; E393-R426 WeakPolarHBondContact CA-O 3.33Å; E393-R426 HydrophobicContact CG-CB 4.43Å; V394-R426 PolarHBondContact N-O 3.03Å
427F97.6Very high93Very high38 Ų3858.3 Ų58.317%0.16728%0.277CS..EExtended strand (participates in β ladder)trans-125.6156.5175.876.2-76.5000111.1L386 V394 T414 V417 D418 K421 L429L386-F427 HydrophobicContact CD1-CB 3.89Å; L386-F427 HydrophobicContact CD1-CD1 4.36Å; L386-F427 HydrophobicContact CD1-CG 4.1Å; L386-F427 HydrophobicContact CD2-CB 4.45Å; V394-F427 CarbonylContact O-C 3.51Å; V394-F427 WeakPolarHBondContact O-CA 3.32Å; T414-F427 HydrophobicContact CG2-CE2 4.21Å; T414-F427 HydrophobicContact CG2-CZ 3.8Å; V417-F427 HydrophobicContact CB-CE1 4.1Å; V417-F427 HydrophobicContact CB-CE2 3.96Å; V417-F427 HydrophobicContact CB-CZ 3.63Å; V417-F427 HydrophobicContact CG1-CD1 3.8Å; V417-F427 HydrophobicContact CG1-CD2 3.95Å; V417-F427 HydrophobicContact CG1-CE1 3.51Å; V417-F427 HydrophobicContact CG1-CE2 3.67Å; V417-F427 HydrophobicContact CG1-CG 4.01Å; V417-F427 HydrophobicContact CG1-CZ 3.44Å; V417-F427 VanDerWaalsContact CG1-CZ 3.44Å; V417-F427 HydrophobicContact CG2-CE2 4.47Å; D418-F427 WeakPolarHBondContact OD1-CE1 3.32Å; K421-F427 HydrophobicContact CD-CD1 3.56Å; K421-F427 HydrophobicContact CD-CE1 3.7Å; F427-L429 HydrophobicContact CD2-CD2 3.89Å; F427-L429 HydrophobicContact CD2-CG 4.11Å; F427-L429 HydrophobicContact CE2-CD1 4.37Å; F427-L429 HydrophobicContact CE2-CD2 3.96Å; F427-L429 HydrophobicContact CE2-CG 3.85Å
428C96.7Very high92.6Very high65 Ų6560 Ų6044%0.43928%0.284SS..EExtended strand (participates in β ladder)trans-132.9127.1172.5-177.30000108.4V394 T395 V396V394-C428 PolarHBondContact O-N 2.97Å; T395-C428 WeakPolarHBondContact CA-O 3.11Å; V396-C428 PolarHBondContact N-O 2.91Å
429L96.9Very high92.4Very high29 Ų2955.9 Ų55.915%0.15226%0.262CS..EExtended strand (participates in β ladder)trans-89.1123.3169.2-55.2-178.5000108.3V396 V398 Y403 M413 T414 F427V396-L429 HydrophobicContact CB-CD2 3.76Å; V396-L429 HydrophobicContact CG1-CD2 4.1Å; V396-L429 HydrophobicContact CG2-CD2 4.12Å; V398-L429 HydrophobicContact CG2-CB 4.36Å; V398-L429 HydrophobicContact CG2-CD2 4.38Å; Y403-L429 HydrophobicContact CE2-CD1 4.26Å; Y403-L429 WeakPolarHBondContact OH-CB 3.21Å; M413-L429 HydrophobicContact CE-CD1 3.42Å; M413-L429 VanDerWaalsContact CE-CD1 3.42Å; M413-L429 HydrophobicContact CE-CD2 4.27Å; M413-L429 HydrophobicContact CE-CG 4.45Å; T414-L429 WeakPolarHBondContact OG1-CD1 3.23Å; F427-L429 HydrophobicContact CD2-CD2 3.89Å; F427-L429 HydrophobicContact CD2-CG 4.11Å; F427-L429 HydrophobicContact CE2-CD1 4.37Å; F427-L429 HydrophobicContact CE2-CD2 3.96Å; F427-L429 HydrophobicContact CE2-CG 3.85Å
430R95.2Very high92.2Very high85 Ų8551.2 Ų51.232%0.32124%0.242SC..EExtended strand (participates in β ladder)trans-122.7120.6-179.4-173.8172.2-179.1160.9-0.9109.5E208 T395 V396 G397 V398 S432E208-R430 PolarHBondContact O-NH1 3.08Å; E208-R430 IonicContact OE2-CZ 3.07Å; E208-R430 IonicContact OE2-NE 3.59Å; E208-R430 IonicContact OE2-NH2 2.74Å; E208-R430 PolarHBondContact OE2-NH2 3.08Å; T395-R430 HydrophobicContact CG2-CB 3.93Å; V396-R430 PolarHBondContact O-N 2.9Å; G397-R430 CarbonylContact C-O 3.21Å; G397-R430 WeakPolarHBondContact CA-O 3.5Å; V398-R430 PolarHBondContact N-O 2.78Å; R430-S432 PolarHBondContact O-N 3.22Å
431L93.7Very high91.9Very high60 Ų6051 Ų5131%0.31424%0.241SC..EExtended strand (participates in β ladder)trans-63.6120.3172-174.569.8000108.8V398 Y403 K404 E433V398-L431 CarbonylContact O-C 3.53Å; V398-L431 WeakPolarHBondContact O-CA 3.33Å; Y403-L431 HydrophobicContact CD1-CD1 3.84Å; Y403-L431 HydrophobicContact CE1-CB 4.43Å; Y403-L431 HydrophobicContact CE1-CD1 3.95Å; K404-L431 HydrophobicContact CB-CD1 4.41Å; K404-L431 HydrophobicContact CD-CD2 4.5Å; K404-L431 HydrophobicContact CG-CD2 4.37Å; L431-E433 HydrophobicContact CD2-CG 3.72Å; L431-E433 HydrophobicContact CG-CG 3.94Å
432S88.2Confident91.7Very high8 Ų849 Ų496%0.05623%0.232CC..  trans-10482174.5-170.10000107.9V398 R430 D434 G435V398-S432 PolarHBondContact O-N 2.58Å; R430-S432 PolarHBondContact O-N 3.22Å; S432-D434 PolarHBondContact O-N 3.47Å; S432-G435 PolarHBondContact O-N 3.36Å; S432-G435 WeakPolarHBondContact OG-CA 3.45Å
433E77.3Confident91.5Very high96 Ų9647.6 Ų47.645%0.44922%0.223SC..THydrogen-bonded Turntrans-58.8123.6179.9-64.5-163.4135.100110.1K404 L431 G435 K438K404-E433 WeakPolarHBondContact CE-OE1 3.24Å; K404-E433 IonicContact NZ-OE1 3.28Å; K404-E433 PolarHBondContact NZ-OE1 3.31Å; L431-E433 HydrophobicContact CD2-CG 3.72Å; L431-E433 HydrophobicContact CG-CG 3.94Å; E433-G435 PolarHBondContact O-N 3.24Å; E433-K438 WeakPolarHBondContact O-CE 3.39Å; E433-K438 PolarHBondContact O-NZ 3.24Å
434D74.4Confident91.4Very high46 Ų4638 Ų3825%0.24618%0.181CC..THydrogen-bonded Turntrans56.830.2-179.3-44.5-46.8000112.7R81 S432 S436 K438R81-D434 IonicContact CZ-OD1 3.33Å; R81-D434 IonicContact NH1-OD1 3.19Å; R81-D434 PolarHBondContact NH1-OD1 2.92Å; S432-D434 PolarHBondContact O-N 3.47Å; D434-S436 VanDerWaalsContact C-N 3.29Å; D434-S436 PolarHBondContact O-N 3.35Å; D434-K438 WeakPolarHBondContact O-CG 3.48Å; D434-K438 PolarHBondContact O-N 2.78Å
435G83.3Confident91.2Very high0 Ų031.2 Ų31.20%015%0.146CC..Hα-helixtrans-63.3-33.2-17200000113.2G200 S204 S432 E433 G439G200-G435 CarbonylContact C-O 3.47Å; G200-G435 VanDerWaalsContact C-O 3.3Å; G200-G435 VanDerWaalsContact O-O 3.08Å; S204-G435 WeakPolarHBondContact CB-O 3.43Å; S432-G435 PolarHBondContact O-N 3.36Å; S432-G435 WeakPolarHBondContact OG-CA 3.45Å; E433-G435 PolarHBondContact O-N 3.24Å; G435-G439 PolarHBondContact O-N 3.06Å
436S88.7Confident90.7Very high3 Ų332.2 Ų32.22%0.02115%0.153CC..Hα-helixtrans-59.2-53.2-178.760.30000112.4D74 R81 T142 D434 A440D74-S436 PolarHBondContact OD1-OG 3.1Å; D74-S436 PolarHBondContact OD2-OG 3.03Å; R81-S436 PolarHBondContact NH2-OG 3.1Å; T142-S436 PolarHBondContact OG1-O 3.34Å; T142-S436 VanDerWaalsContact OG1-O 3.11Å; D434-S436 VanDerWaalsContact C-N 3.29Å; D434-S436 PolarHBondContact O-N 3.35Å; S436-A440 PolarHBondContact O-N 2.83Å
437G90.5Very high89.8Confident0 Ų026 Ų260%014%0.137CC..Hα-helixtrans-68.4-43.2-179.900000113A72 G439 A440 A441A72-G437 WeakPolarHBondContact CB-O 3.36Å; G437-G439 VanDerWaalsContact C-N 3.33Å; G437-G439 PolarHBondContact O-N 3.49Å; G437-A440 PolarHBondContact O-N 2.69Å; G437-A441 PolarHBondContact O-N 2.83Å; G437-A441 VanDerWaalsContact O-N 3.13Å
438K90.7Very high88.7Confident35 Ų3526.7 Ų26.715%0.15214%0.144CC..Hα-helixtrans-59.7-44.9175.5-67.4177.8-161.5170.30111.7I96 S204 E433 D434 A441 A442I96-K438 HydrophobicContact CD1-CD 3.47Å; I96-K438 VanDerWaalsContact CD1-CD 3.47Å; I96-K438 HydrophobicContact CD1-CG 3.41Å; I96-K438 VanDerWaalsContact CD1-CG 3.41Å; S204-K438 WeakPolarHBondContact OG-CB 3.49Å; E433-K438 WeakPolarHBondContact O-CE 3.39Å; E433-K438 PolarHBondContact O-NZ 3.24Å; D434-K438 WeakPolarHBondContact O-CG 3.48Å; D434-K438 PolarHBondContact O-N 2.78Å; K438-A441 PolarHBondContact O-N 3.21Å; K438-A442 WeakPolarHBondContact O-CB 3.32Å; K438-A442 PolarHBondContact O-N 3.35Å
439G92.5Very high87.3Confident0 Ų028.5 Ų28.50%014%0.142CC..Hα-helixtrans-66.3-39.8179.600000112.9G200 G435 G437 A441 A442 I443G200-G439 WeakPolarHBondContact O-CA 3.3Å; G435-G439 PolarHBondContact O-N 3.06Å; G437-G439 VanDerWaalsContact C-N 3.33Å; G437-G439 PolarHBondContact O-N 3.49Å; G439-A441 PolarHBondContact O-N 3.23Å; G439-A442 PolarHBondContact O-N 2.66Å; G439-I443 WeakPolarHBondContact O-CB 2.67Å; G439-I443 VanDerWaalsContact O-CG1 3.27Å; G439-I443 WeakPolarHBondContact O-CG1 3.36Å; G439-I443 PolarHBondContact O-N 3.17Å
440A93.9Very high84.6Confident0 Ų035.9 Ų35.90%018%0.175CC..Hα-helixtrans-62.6-4217500000112.6A72 T142 V195 S436 G437 A442 I443 A444A72-A440 HydrophobicContact CB-CB 4.35Å; T142-A440 WeakPolarHBondContact OG1-CB 2.94Å; V195-A440 HydrophobicContact CG2-CB 3.58Å; S436-A440 PolarHBondContact O-N 2.83Å; G437-A440 PolarHBondContact O-N 2.69Å; A440-A442 VanDerWaalsContact C-N 3.34Å; A440-I443 PolarHBondContact O-N 2.99Å; A440-A444 WeakPolarHBondContact O-CB 3.12Å; A440-A444 PolarHBondContact O-N 3.23Å
441A93.3Very high81.7Confident0 Ų042.7 Ų42.70%022%0.219CC..Hα-helixtrans-62.8-40.817300000112.1F70 A72 V85 G437 K438 G439 A444 A445F70-A441 HydrophobicContact CB-CB 4.08Å; A72-A441 HydrophobicContact CB-CB 4.13Å; V85-A441 HydrophobicContact CB-CB 3.59Å; V85-A441 HydrophobicContact CG1-CB 3.97Å; V85-A441 HydrophobicContact CG2-CB 3.58Å; G437-A441 PolarHBondContact O-N 2.83Å; G437-A441 VanDerWaalsContact O-N 3.13Å; K438-A441 PolarHBondContact O-N 3.21Å; G439-A441 PolarHBondContact O-N 3.23Å; A441-A444 PolarHBondContact O-N 2.73Å; A441-A445 WeakPolarHBondContact O-CB 3.5Å; A441-A445 PolarHBondContact O-N 2.96Å
442A91.5Very high81.1Confident0 Ų041.9 Ų41.90%021%0.214CC..Hα-helixtrans-68-36.5178.200000112.9P62 L207 K438 G439 A440 A445 S446P62-A442 HydrophobicContact CB-CB 3.96Å; P62-A442 HydrophobicContact CG-CB 3.53Å; L207-A442 HydrophobicContact CD1-CB 3.77Å; L207-A442 HydrophobicContact CG-CB 4.4Å; K438-A442 WeakPolarHBondContact O-CB 3.32Å; K438-A442 PolarHBondContact O-N 3.35Å; G439-A442 PolarHBondContact O-N 2.66Å; A440-A442 VanDerWaalsContact C-N 3.34Å; A442-A445 WeakPolarHBondContact O-CB 3.46Å; A442-A445 PolarHBondContact O-N 2.96Å; A442-S446 PolarHBondContact O-N 3.08Å
443I93.3Very high80.7Confident0 Ų043.6 Ų43.60%022%0.222CC..Hα-helixtrans-67.1-47172.2-69.3164.9000109.8V58 L152 A193 V195 V199 A203 G439 A440 A445 S446 C447V58-I443 HydrophobicContact CG1-CD1 4.32Å; V58-I443 HydrophobicContact CG1-CG1 4.3Å; V58-I443 HydrophobicContact CG2-CD1 4.11Å; V58-I443 HydrophobicContact CG2-CG2 4.04Å; L152-I443 HydrophobicContact CD2-CG2 4.42Å; A193-I443 HydrophobicContact CB-CG2 4.13Å; V195-I443 HydrophobicContact CB-CD1 4.4Å; V195-I443 HydrophobicContact CG1-CB 4.46Å; V195-I443 HydrophobicContact CG1-CD1 3.74Å; V195-I443 HydrophobicContact CG1-CG2 4.02Å; V199-I443 HydrophobicContact CG1-CD1 3.88Å; A203-I443 HydrophobicContact CB-CD1 3.65Å; A203-I443 HydrophobicContact CB-CG1 3.81Å; G439-I443 WeakPolarHBondContact O-CB 2.67Å; G439-I443 VanDerWaalsContact O-CG1 3.27Å; G439-I443 WeakPolarHBondContact O-CG1 3.36Å; G439-I443 PolarHBondContact O-N 3.17Å; A440-I443 PolarHBondContact O-N 2.99Å; I443-A445 PolarHBondContact O-N 3.4Å; I443-S446 PolarHBondContact O-N 2.91Å; I443-S446 VanDerWaalsContact O-N 3.1Å; I443-S446 PolarHBondContact O-OG 2.98Å; I443-C447 PolarHBondContact O-N 3.05Å; I443-C447 PolarHBondContact O-SG 3.11Å
444A92.6Very high80.9Confident0 Ų040.7 Ų40.70%021%0.209CC..Hα-helixtrans-53.6-44.5173.700000111.1F70 V192 A440 A441 C447 T448F70-A444 HydrophobicContact CD1-CB 4.21Å; V192-A444 HydrophobicContact CG2-CB 3.58Å; A440-A444 WeakPolarHBondContact O-CB 3.12Å; A440-A444 PolarHBondContact O-N 3.23Å; A441-A444 PolarHBondContact O-N 2.73Å; A444-C447 PolarHBondContact O-N 3.33Å; A444-T448 VanDerWaalsContact O-CG2 3.24Å; A444-T448 WeakPolarHBondContact O-CG2 3.29Å; A444-T448 PolarHBondContact O-N 3.47Å; A444-T448 VanDerWaalsContact O-N 3.13Å; A444-T448 PolarHBondContact O-OG1 3.21Å
445A90.9Very high81.3Confident4 Ų440.4 Ų40.43%0.03321%0.207CC..Hα-helixtrans-62.1-46175.400000113.3E66 F70 L87 A441 A442 I443 C447 T448 R449E66-A445 HydrophobicContact CB-CB 3.96Å; E66-A445 HydrophobicContact CG-CB 4.06Å; F70-A445 HydrophobicContact CD1-CB 4.3Å; F70-A445 HydrophobicContact CD2-CB 3.82Å; F70-A445 HydrophobicContact CE1-CB 3.89Å; F70-A445 HydrophobicContact CE2-CB 3.35Å; F70-A445 HydrophobicContact CG-CB 4.28Å; F70-A445 VanDerWaalsContact CZ-CA 3.43Å; F70-A445 HydrophobicContact CZ-CB 3.4Å; L87-A445 HydrophobicContact CD1-CB 3.42Å; L87-A445 VanDerWaalsContact CD1-CB 3.42Å; A441-A445 WeakPolarHBondContact O-CB 3.5Å; A441-A445 PolarHBondContact O-N 2.96Å; A442-A445 WeakPolarHBondContact O-CB 3.46Å; A442-A445 PolarHBondContact O-N 2.96Å; I443-A445 PolarHBondContact O-N 3.4Å; A445-C447 VanDerWaalsContact C-N 3.27Å; A445-C447 PolarHBondContact O-N 3.28Å; A445-T448 PolarHBondContact O-N 3.31Å; A445-T448 PolarHBondContact O-OG1 2.7Å; A445-R449 PolarHBondContact O-N 3.07Å
446S85.9Confident81.2Confident23 Ų2342.9 Ų42.916%0.16122%0.22CC..Hα-helixtrans-64.6-32.5-18075.50000112.5A442 I443 R449A442-S446 PolarHBondContact O-N 3.08Å; I443-S446 PolarHBondContact O-N 2.91Å; I443-S446 VanDerWaalsContact O-N 3.1Å; I443-S446 PolarHBondContact O-OG 2.98Å; S446-R449 WeakPolarHBondContact O-CB 3.23Å
447C79.8Confident80.7Confident55 Ų5545.6 Ų45.637%0.37223%0.234SC..Hα-helixtrans-74.4-28.2176.7-57.80000113.4L152 I443 A444 A445 R449L152-C447 HydrophobicContact CD1-CB 4.09Å; L152-C447 WeakPolarHBondContact CD1-SG 3.35Å; I443-C447 PolarHBondContact O-N 3.05Å; I443-C447 PolarHBondContact O-SG 3.11Å; A444-C447 PolarHBondContact O-N 3.33Å; A445-C447 VanDerWaalsContact C-N 3.27Å; A445-C447 PolarHBondContact O-N 3.28Å; C447-R449 VanDerWaalsContact C-N 3.31Å
448T74.4Confident79.9Confident51 Ų5148.9 Ų48.931%0.31325%0.25SS..Hα-helixtrans-82.5-5.1176.9610000113.7F70 D138 V192 A444 A445 Q450F70-T448 HydrophobicContact CE1-CG2 4.27Å; D138-T448 HydrophobicContact CB-CG2 4.14Å; D138-T448 WeakPolarHBondContact OD2-CG2 3.45Å; V192-T448 HydrophobicContact CG2-CG2 4.5Å; A444-T448 VanDerWaalsContact O-CG2 3.24Å; A444-T448 WeakPolarHBondContact O-CG2 3.29Å; A444-T448 PolarHBondContact O-N 3.47Å; A444-T448 VanDerWaalsContact O-N 3.13Å; A444-T448 PolarHBondContact O-OG1 3.21Å; A445-T448 PolarHBondContact O-N 3.31Å; A445-T448 PolarHBondContact O-OG1 2.7Å; T448-Q450 VanDerWaalsContact C-N 3.34Å; T448-Q450 PolarHBondContact O-N 3.17Å
449R66Low79.1Confident103 Ų10349.9 Ų49.939%0.38926%0.258SS..  trans-61.398.8167.7-70.6-174.5179.5151.47.4108.6N63 T65 E66 A445 S446 C447 N451N63-R449 PolarHBondContact OD1-NH2 3.36Å; T65-R449 VanDerWaalsContact C-NH2 3.27Å; T65-R449 PolarHBondContact OG1-NH2 2.64Å; E66-R449 IonicContact OE1-CZ 2.68Å; E66-R449 IonicContact OE1-NH1 3.49Å; E66-R449 IonicContact OE1-NH2 3.5Å; E66-R449 PolarHBondContact OE1-NH2 3.17Å; E66-R449 IonicContact OE2-NH2 3.63Å; E66-R449 PolarHBondContact OE2-NH2 3.45Å; A445-R449 PolarHBondContact O-N 3.07Å; S446-R449 WeakPolarHBondContact O-CB 3.23Å; C447-R449 VanDerWaalsContact C-N 3.31Å; R449-N451 PolarHBondContact O-N 2.84Å
450Q41Very low78Confident184 Ų18454.1 Ų54.186%0.8628%0.279SS*.  trans-56.2127.5158.9-69.8-174.6-12.400107.1T448T448-Q450 VanDerWaalsContact C-N 3.34Å; T448-Q450 PolarHBondContact O-N 3.17Å
451N33.7Very low76.6Confident229 Ų22959 Ų59100%1.22531%0.305SS*.  trans-54.70156.9-80-29.6000109.8R449R449-N451 PolarHBondContact O-N 2.84Å

Retrieved 451 of 451 residues in 113.4 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).