A0A087XFI6_POEFO Loading...

cAMP-dependent protein kinase

AlphaFold DB , UniProt , Accession A0A087XFI6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 351 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.8Very low47.1Very low251 Ų251115.6 Ų115.6100%1.23668%0.682SS**  0107.80-60.8176.5-169.800105.8
2G44.7Very low48.6Very low73 Ų73114.2 Ų114.275%0.75366%0.664SS**  cis114.6116.933.100000107.4
3N44.2Very low49.6Very low151 Ų151113.5 Ų113.581%0.80765%0.653SS**  trans91.597.6172.4-62.3-14.2000119.1
4A44.9Very low51.2Low78 Ų78114.5 Ų114.565%0.64565%0.649SS**  trans-153.34.5149.300000117.6
5P45.3Very low53.3Low92 Ų92110.9 Ų110.960%0.59763%0.633SS**Hα-helixtrans-90.5-16.9177.332.9-31.2000114.5
6T43.3Very low55.3Low103 Ų103107.3 Ų107.363%0.63261%0.614SS**Hα-helixtrans-81.1-34-17537.60000113.6G10T6-G10 PolarHBondContact O-N 3.4Å
7A42.3Very low57.2Low75 Ų75108.8 Ų108.862%0.6261%0.612SS**Hα-helixtrans-69.3-41.2-179.400000113.1G10 S11A7-G10 PolarHBondContact O-N 2.89Å; A7-S11 PolarHBondContact O-N 3.24Å; A7-S11 PolarHBondContact O-OG 2.86Å
8R48.7Very low59.1Low191 Ų191110.5 Ų110.572%0.72161%0.614SS**Hα-helixtrans-65.4-40.1178.1-82.7-175177.6178.3-0.8113.4G10 S11 E12R8-G10 VanDerWaalsContact C-N 3.31Å; R8-G10 PolarHBondContact O-N 3.27Å; R8-S11 PolarHBondContact O-N 3.42Å; R8-S11 PolarHBondContact O-OG 3.5Å; R8-E12 WeakPolarHBondContact O-CG 3.22Å; R8-E12 PolarHBondContact O-N 2.86Å; R8-E12 VanDerWaalsContact O-N 3.09Å
9K52.3Low60.9Low158 Ų158108.7 Ų108.769%0.68760%0.6SS**Hα-helixtrans-66.5-33.4176.2-78.2-173.5175.4-175.40112.6M13K9-M13 WeakPolarHBondContact O-CB 3.39Å; K9-M13 PolarHBondContact O-N 2.87Å
10G51.4Low62.5Low33 Ų33105.1 Ų105.134%0.3458%0.579SS.*Hα-helixtrans-64.5-49.4174.600000112.3T6 A7 R8 E12 M13 E14T6-G10 PolarHBondContact O-N 3.4Å; A7-G10 PolarHBondContact O-N 2.89Å; R8-G10 VanDerWaalsContact C-N 3.31Å; R8-G10 PolarHBondContact O-N 3.27Å; G10-E12 PolarHBondContact O-N 3.34Å; G10-M13 PolarHBondContact O-N 3.21Å; G10-E14 PolarHBondContact O-N 3.15Å; G10-E14 VanDerWaalsContact O-N 3.1Å
11S62.7Low64Low67 Ų67103 Ų10347%0.46958%0.576SS.*Hα-helixtrans-66.3-37.8-179.759.90000113.4A7 R8 S15A7-S11 PolarHBondContact O-N 3.24Å; A7-S11 PolarHBondContact O-OG 2.86Å; R8-S11 PolarHBondContact O-N 3.42Å; R8-S11 PolarHBondContact O-OG 3.5Å; S11-S15 PolarHBondContact O-N 3.39Å
12E64.7Low66.8Low98 Ų9897.6 Ų97.646%0.45855%0.545SS..Hα-helixtrans-66.4-40.9176.4-76.8173.7-173.600111.6R8 G10 S15 V16R8-E12 WeakPolarHBondContact O-CG 3.22Å; R8-E12 PolarHBondContact O-N 2.86Å; R8-E12 VanDerWaalsContact O-N 3.09Å; G10-E12 PolarHBondContact O-N 3.34Å; E12-S15 PolarHBondContact O-N 2.81Å; E12-S15 PolarHBondContact O-OG 3.34Å; E12-V16 WeakPolarHBondContact O-CG2 3.26Å; E12-V16 PolarHBondContact O-N 2.68Å; E12-V16 VanDerWaalsContact O-N 3.1Å
13M61.9Low69.2Low106 Ų10694.7 Ų94.752%0.52251%0.514SS..Hα-helixtrans-69.8-34.4179.8-163172.574.900112.6K9 G10 K17K9-M13 WeakPolarHBondContact O-CB 3.39Å; K9-M13 PolarHBondContact O-N 2.87Å; G10-M13 PolarHBondContact O-N 3.21Å; M13-K17 WeakPolarHBondContact O-CG 3.41Å; M13-K17 PolarHBondContact O-N 3.01Å
14E71Confident71.7Confident127 Ų12790.6 Ų90.659%0.59349%0.489SS*.Hα-helixtrans-64.2-43.7170.4-76.5174.817000111.1G10 V16 K17 E18G10-E14 PolarHBondContact O-N 3.15Å; G10-E14 VanDerWaalsContact O-N 3.1Å; E14-V16 VanDerWaalsContact C-N 3.35Å; E14-V16 PolarHBondContact O-N 2.71Å; E14-K17 PolarHBondContact O-N 3.37Å; E14-K17 VanDerWaalsContact O-N 3.17Å; E14-E18 PolarHBondContact O-N 3.11Å
15S83.1Confident74.3Confident60 Ų6091.8 Ų91.842%0.4248%0.482SS..Hα-helixtrans-61.6-37.8178.577.70000113.6S11 E12 F19S11-S15 PolarHBondContact O-N 3.39Å; E12-S15 PolarHBondContact O-N 2.81Å; E12-S15 PolarHBondContact O-OG 3.34Å; S15-F19 WeakPolarHBondContact O-CB 3.44Å; S15-F19 PolarHBondContact O-N 3.29Å
16V85.8Confident76.7Confident53 Ų5390.8 Ų90.832%0.32147%0.471SS..Hα-helixtrans-69-39.3176.91750000111E12 E14 F19 L20E12-V16 WeakPolarHBondContact O-CG2 3.26Å; E12-V16 PolarHBondContact O-N 2.68Å; E12-V16 VanDerWaalsContact O-N 3.1Å; E14-V16 VanDerWaalsContact C-N 3.35Å; E14-V16 PolarHBondContact O-N 2.71Å; V16-F19 PolarHBondContact O-N 2.91Å; V16-L20 HydrophobicContact CG1-CD1 4.06Å; V16-L20 HydrophobicContact CG1-CG 4.39Å; V16-L20 WeakPolarHBondContact O-CG 3.42Å; V16-L20 PolarHBondContact O-N 2.87Å
17K86.7Confident79.4Confident133 Ų13386 Ų8658%0.57844%0.441SS*.Hα-helixtrans-64.1-44.5177.1-76.1178.9179.6178.90111.8M13 E14 L20 A21M13-K17 WeakPolarHBondContact O-CG 3.41Å; M13-K17 PolarHBondContact O-N 3.01Å; E14-K17 PolarHBondContact O-N 3.37Å; E14-K17 VanDerWaalsContact O-N 3.17Å; K17-L20 PolarHBondContact O-N 2.83Å; K17-A21 WeakPolarHBondContact O-CB 3.44Å; K17-A21 PolarHBondContact O-N 3.34Å
18E91.8Very high82Confident140 Ų14084.6 Ų84.665%0.65442%0.424SS*.Hα-helixtrans-62.4-43.9176-71.9179.2175.800111.6E14 L20 A21 K22E14-E18 PolarHBondContact O-N 3.11Å; E18-L20 PolarHBondContact O-N 3.43Å; E18-A21 PolarHBondContact O-N 2.83Å; E18-K22 PolarHBondContact O-N 3.47Å
19F93.5Very high84.4Confident77 Ų7780.5 Ų80.534%0.33841%0.411SS..Hα-helixtrans-57-49.8174.5173.5-95.5000111.9S15 V16 A21 K22 A23 F101 Y307S15-F19 WeakPolarHBondContact O-CB 3.44Å; S15-F19 PolarHBondContact O-N 3.29Å; V16-F19 PolarHBondContact O-N 2.91Å; F19-A21 VanDerWaalsContact C-N 3.34Å; F19-A21 PolarHBondContact O-N 3.48Å; F19-K22 PolarHBondContact O-N 3.44Å; F19-A23 WeakPolarHBondContact O-CB 3.4Å; F19-A23 PolarHBondContact O-N 2.89Å; F19-F101 HydrophobicContact CE1-CE2 4.23Å; F19-F101 HydrophobicContact CZ-CE2 4.35Å; F19-Y307 AromaticContact CE2-CZ 3.95Å; F19-Y307 WeakPolarHBondContact CE2-OH 3.44Å; F19-Y307 AromaticContact CZ-CE2 3.97Å; F19-Y307 HydrophobicContact CZ-CE2 3.97Å; F19-Y307 AromaticContact CZ-CZ 3.78Å; F19-Y307 VanDerWaalsContact CZ-OH 3.23Å; F19-Y307 WeakPolarHBondContact CZ-OH 3.47Å
20L93.4Very high86.5Confident35 Ų3577.6 Ų77.618%0.18340%0.398CS..Hα-helixtrans-67.4-33.3179.5-69.6175.8000112.5V16 K17 E18 K24 E156 A160V16-L20 HydrophobicContact CG1-CD1 4.06Å; V16-L20 HydrophobicContact CG1-CG 4.39Å; V16-L20 WeakPolarHBondContact O-CG 3.42Å; V16-L20 PolarHBondContact O-N 2.87Å; K17-L20 PolarHBondContact O-N 2.83Å; E18-L20 PolarHBondContact O-N 3.43Å; L20-K24 WeakPolarHBondContact O-CB 3.45Å; L20-K24 PolarHBondContact O-N 3.09Å; L20-E156 HydrophobicContact CD1-CG 4.38Å; L20-A160 HydrophobicContact CB-CB 4.42Å; L20-A160 HydrophobicContact CD1-CB 4.29Å; L20-A160 HydrophobicContact CD2-CB 4.04Å; L20-A160 HydrophobicContact CG-CB 4.49Å
21A94.3Very high88.7Confident62 Ų6277.5 Ų77.551%0.51239%0.388SS..Hα-helixtrans-64.9-47.6175.100000111.3K17 E18 F19 K24 E25K17-A21 WeakPolarHBondContact O-CB 3.44Å; K17-A21 PolarHBondContact O-N 3.34Å; E18-A21 PolarHBondContact O-N 2.83Å; F19-A21 VanDerWaalsContact C-N 3.34Å; F19-A21 PolarHBondContact O-N 3.48Å; A21-K24 WeakPolarHBondContact O-CB 3.41Å; A21-K24 PolarHBondContact O-N 2.85Å; A21-E25 PolarHBondContact O-N 3.36Å
22K95.9Very high90.3Very high137 Ų13780.1 Ų80.160%0.59639%0.392SS*.Hα-helixtrans-62-44.9175.2-175.5176.8179.6179.60111.7E18 F19 K24 E25 D26E18-K22 PolarHBondContact O-N 3.47Å; F19-K22 PolarHBondContact O-N 3.44Å; K22-K24 PolarHBondContact O-N 3Å; K22-E25 WeakPolarHBondContact O-CB 3.42Å; K22-E25 PolarHBondContact O-N 3.25Å; K22-E25 VanDerWaalsContact O-N 3.12Å; K22-D26 PolarHBondContact O-N 2.98Å
23A96.1Very high91.9Very high13 Ų1381.2 Ų81.211%0.10740%0.402CS..Hα-helixtrans-56.6-38174.900000112.4F19 F27 Y157F19-A23 WeakPolarHBondContact O-CB 3.4Å; F19-A23 PolarHBondContact O-N 2.89Å; A23-F27 VanDerWaalsContact O-CB 3.25Å; A23-F27 WeakPolarHBondContact O-CB 3.25Å; A23-F27 PolarHBondContact O-N 2.88Å; A23-Y157 HydrophobicContact CB-CD2 4.32Å; A23-Y157 HydrophobicContact CB-CE2 3.81Å
24K97.5Very high93.4Very high64 Ų6478.2 Ų78.228%0.27839%0.39SS..Hα-helixtrans-68.2-39.9176.3-168.1167.2-169.8145.20112.7L20 A21 K22 L28 A160 L161 D162L20-K24 WeakPolarHBondContact O-CB 3.45Å; L20-K24 PolarHBondContact O-N 3.09Å; A21-K24 WeakPolarHBondContact O-CB 3.41Å; A21-K24 PolarHBondContact O-N 2.85Å; K22-K24 PolarHBondContact O-N 3Å; K24-L28 HydrophobicContact CG-CD1 4.31Å; K24-L28 WeakPolarHBondContact O-CB 3.21Å; K24-L28 VanDerWaalsContact O-CG 3.23Å; K24-L28 WeakPolarHBondContact O-CG 3.46Å; K24-L28 PolarHBondContact O-N 2.98Å; K24-A160 PolarHBondContact NZ-O 3.5Å; K24-L161 HydrophobicContact CB-CD2 3.81Å; K24-L161 HydrophobicContact CG-CD2 4.04Å; K24-D162 IonicContact NZ-OD1 2.93Å; K24-D162 IonicContact NZ-OD2 3.53Å; K24-D162 PolarHBondContact NZ-OD2 3.13Å
25E97.7Very high94.6Very high104 Ų10474.9 Ų74.949%0.48638%0.38SS..Hα-helixtrans-62.4-49.4174.6-169.7-170.9156.400111.5A21 K22 F27 L28 K29A21-E25 PolarHBondContact O-N 3.36Å; K22-E25 WeakPolarHBondContact O-CB 3.42Å; K22-E25 PolarHBondContact O-N 3.25Å; K22-E25 VanDerWaalsContact O-N 3.12Å; E25-F27 VanDerWaalsContact C-N 3.34Å; E25-F27 PolarHBondContact O-N 3.46Å; E25-L28 PolarHBondContact O-N 3.26Å; E25-K29 WeakPolarHBondContact O-CG 3.31Å; E25-K29 PolarHBondContact O-N 2.81Å; E25-K29 VanDerWaalsContact OE1-CE 3.23Å; E25-K29 WeakPolarHBondContact OE1-CE 3.42Å; E25-K29 IonicContact OE1-NZ 3.36Å; E25-K29 PolarHBondContact OE1-NZ 3.09Å
26D97.5Very high95.2Very high71 Ų7176 Ų7638%0.3838%0.379SS..Hα-helixtrans-63.1-40.7179.7-70.5-23000111.7K22 K30K22-D26 PolarHBondContact O-N 2.98Å; D26-K30 PolarHBondContact O-N 3.15Å
27F98.3Very high95.6Very high1 Ų178.1 Ų78.10%0.00439%0.388CS..Hα-helixtrans-60.2-48173169.5-99000111.8A23 E25 K29 K30 W31 A98 V99 L161 L163A23-F27 VanDerWaalsContact O-CB 3.25Å; A23-F27 WeakPolarHBondContact O-CB 3.25Å; A23-F27 PolarHBondContact O-N 2.88Å; E25-F27 VanDerWaalsContact C-N 3.34Å; E25-F27 PolarHBondContact O-N 3.46Å; F27-K29 PolarHBondContact O-N 2.76Å; F27-K30 PolarHBondContact O-N 2.67Å; F27-W31 HydrophobicContact CE1-CB 4.18Å; F27-W31 HydrophobicContact CE1-CD2 4.45Å; F27-W31 HydrophobicContact CE1-CG 4.28Å; F27-W31 HydrophobicContact CE2-CE3 4.12Å; F27-W31 HydrophobicContact CZ-CB 4.18Å; F27-W31 AromaticContact CZ-CD2 3.98Å; F27-W31 HydrophobicContact CZ-CD2 3.98Å; F27-W31 AromaticContact CZ-CE3 3.69Å; F27-W31 HydrophobicContact CZ-CE3 3.69Å; F27-W31 HydrophobicContact CZ-CG 4.2Å; F27-W31 HydrophobicContact CZ-CZ3 4.45Å; F27-W31 WeakPolarHBondContact O-CB 3.25Å; F27-W31 PolarHBondContact O-N 3.17Å; F27-A98 HydrophobicContact CD2-CB 3.6Å; F27-A98 HydrophobicContact CE2-CB 3.64Å; F27-V99 HydrophobicContact CD2-CG1 4.16Å; F27-V99 HydrophobicContact CE2-CG1 4.19Å; F27-L161 HydrophobicContact CB-CD1 3.98Å; F27-L161 HydrophobicContact CB-CD2 3.78Å; F27-L161 HydrophobicContact CB-CG 4.45Å; F27-L161 HydrophobicContact CD1-CB 4.21Å; F27-L161 HydrophobicContact CD1-CD1 4.46Å; F27-L161 HydrophobicContact CD1-CD2 4.13Å; F27-L161 HydrophobicContact CD2-CD1 3.86Å; F27-L161 HydrophobicContact CE1-CB 4.37Å; F27-L161 HydrophobicContact CG-CB 4.4Å; F27-L161 HydrophobicContact CG-CD1 3.83Å; F27-L161 HydrophobicContact CG-CD2 4.01Å; F27-L161 HydrophobicContact CG-CG 4.31Å; F27-L163 HydrophobicContact CE2-CD1 3.88Å; F27-L163 HydrophobicContact CE2-CD2 4.5Å; F27-L163 HydrophobicContact CZ-CD1 4.14Å; F27-L163 HydrophobicContact CZ-CD2 4.09Å; F27-L163 HydrophobicContact CZ-CG 4.31Å
28L98.1Very high96.2Very high47 Ų4774.5 Ų74.525%0.24638%0.378CS..Hα-helixtrans-61.1-43.8-178.8-77.4171.5000111.9K24 E25 K30 W31 E32K24-L28 HydrophobicContact CG-CD1 4.31Å; K24-L28 WeakPolarHBondContact O-CB 3.21Å; K24-L28 VanDerWaalsContact O-CG 3.23Å; K24-L28 WeakPolarHBondContact O-CG 3.46Å; K24-L28 PolarHBondContact O-N 2.98Å; E25-L28 PolarHBondContact O-N 3.26Å; L28-K30 VanDerWaalsContact C-N 3.33Å; L28-K30 PolarHBondContact O-N 3.2Å; L28-W31 PolarHBondContact O-N 2.94Å; L28-E32 WeakPolarHBondContact O-CB 3.45Å; L28-E32 WeakPolarHBondContact O-CG 3.45Å; L28-E32 PolarHBondContact O-N 3.37Å
29K97.9Very high96.5Very high105 Ų10568.6 Ų68.646%0.45735%0.353SS..Hα-helixtrans-55.2-47.5177.2-73.5172.7-176.8163.70111.9E25 F27 N33E25-K29 WeakPolarHBondContact O-CG 3.31Å; E25-K29 PolarHBondContact O-N 2.81Å; E25-K29 VanDerWaalsContact OE1-CE 3.23Å; E25-K29 WeakPolarHBondContact OE1-CE 3.42Å; E25-K29 IonicContact OE1-NZ 3.36Å; E25-K29 PolarHBondContact OE1-NZ 3.09Å; F27-K29 PolarHBondContact O-N 2.76Å; K29-N33 PolarHBondContact O-N 3.4Å; K29-N33 PolarHBondContact O-ND2 2.64Å; K29-N33 VanDerWaalsContact O-ND2 3.17Å
30K97.8Very high96.6Very high96 Ų9666.9 Ų66.942%0.41735%0.35SS..Hα-helixtrans-74.1-32.8178.4-65.1-178.9179.8-175.80113D26 F27 L28 N33 Q97 A98D26-K30 PolarHBondContact O-N 3.15Å; F27-K30 PolarHBondContact O-N 2.67Å; L28-K30 VanDerWaalsContact C-N 3.33Å; L28-K30 PolarHBondContact O-N 3.2Å; K30-N33 CarbonylContact O-C 3.59Å; K30-Q97 WeakPolarHBondContact CD-O 3.39Å; K30-A98 HydrophobicContact CB-CB 3.85Å
31W97.3Very high96.8Very high32 Ų3266.4 Ų66.412%0.12135%0.348CS..Hα-helixtrans-67.2-40.3177.8176.2-92.2000112.3F27 L28 R94 I95 A98 R191F27-W31 HydrophobicContact CE1-CB 4.18Å; F27-W31 HydrophobicContact CE1-CD2 4.45Å; F27-W31 HydrophobicContact CE1-CG 4.28Å; F27-W31 HydrophobicContact CE2-CE3 4.12Å; F27-W31 HydrophobicContact CZ-CB 4.18Å; F27-W31 AromaticContact CZ-CD2 3.98Å; F27-W31 HydrophobicContact CZ-CD2 3.98Å; F27-W31 AromaticContact CZ-CE3 3.69Å; F27-W31 HydrophobicContact CZ-CE3 3.69Å; F27-W31 HydrophobicContact CZ-CG 4.2Å; F27-W31 HydrophobicContact CZ-CZ3 4.45Å; F27-W31 WeakPolarHBondContact O-CB 3.25Å; F27-W31 PolarHBondContact O-N 3.17Å; L28-W31 PolarHBondContact O-N 2.94Å; W31-R94 HydrophobicContact CD2-CG 4.33Å; W31-R94 HydrophobicContact CE3-CG 3.73Å; W31-R94 HydrophobicContact CH2-CB 4.43Å; W31-R94 HydrophobicContact CH2-CG 4.02Å; W31-R94 HydrophobicContact CZ3-CB 3.96Å; W31-R94 HydrophobicContact CZ3-CG 3.54Å; W31-R94 PolarHBondContact O-NE 3.09Å; W31-R94 PolarHBondContact O-NH2 3.33Å; W31-I95 HydrophobicContact CH2-CG1 4.29Å; W31-I95 HydrophobicContact CZ3-CG1 3.63Å; W31-A98 HydrophobicContact CB-CB 4.38Å; W31-R191 HydrophobicContact CH2-CB 4.31Å; W31-R191 HydrophobicContact CZ2-CB 4.41Å; W31-R191 VanDerWaalsContact NE1-NH1 3.16Å
32E97.1Very high96.9Very high121 Ų12169.9 Ų69.957%0.56535%0.353SS*.Hα-helixtrans-77.5-31.2179.6-71.2170.9-17300112L28 P34L28-E32 WeakPolarHBondContact O-CB 3.45Å; L28-E32 WeakPolarHBondContact O-CG 3.45Å; L28-E32 PolarHBondContact O-N 3.37Å; E32-P34 VanDerWaalsContact C-CD 3.47Å; E32-P34 VanDerWaalsContact O-CD 3.27Å; E32-P34 WeakPolarHBondContact O-CD 3.37Å
33N96.4Very high97Very high122 Ų12266.6 Ų66.665%0.65234%0.34SS*.SBendtrans-120.573.6179.9-56.3-78.5000110.8K29 K30 S35K29-N33 PolarHBondContact O-N 3.4Å; K29-N33 PolarHBondContact O-ND2 2.64Å; K29-N33 VanDerWaalsContact O-ND2 3.17Å; K30-N33 CarbonylContact O-C 3.59Å; N33-S35 PolarHBondContact O-N 3.37Å
34P95.4Very high97.1Very high43 Ų4366.2 Ų66.228%0.27934%0.336SS..  trans-65.4128.5-177.927.3-34.8000111.2E32E32-P34 VanDerWaalsContact C-CD 3.47Å; E32-P34 VanDerWaalsContact O-CD 3.27Å; E32-P34 WeakPolarHBondContact O-CD 3.37Å
35S95.1Very high97.1Very high56 Ų5667.1 Ų67.139%0.39234%0.341SS..  trans-65143168.567.60000110.2N33 K93 Q97N33-S35 PolarHBondContact O-N 3.37Å; S35-K93 PolarHBondContact O-NZ 2.95Å; S35-Q97 PolarHBondContact O-OE1 2.8Å; S35-Q97 VanDerWaalsContact O-OE1 3.09Å; S35-Q97 PolarHBondContact OG-OE1 3.49Å
36Q95Very high97Very high85 Ų8567.8 Ų67.840%0.39734%0.34SS..  trans-139.5150179.5-71.8178-17.800109.7T38 E350Q36-T38 PolarHBondContact O-N 2.95Å; Q36-E350 VanDerWaalsContact NE2-C 3.28Å; Q36-E350 PolarHBondContact NE2-O 3.09Å
37N95.9Very high97Very high96 Ų9667.8 Ų67.851%0.51334%0.339SS..  trans49.553.5175.6-59.2-39.7000113.2A39 S110N37-A39 VanDerWaalsContact C-N 3.32Å; N37-S110 WeakPolarHBondContact CA-O 3.47Å; N37-S110 PolarHBondContact N-O 3.05Å
38T97.8Very high96.9Very high58 Ų5869.6 Ų69.636%0.35635%0.347SS..  trans-86.4-3-174.558.40000113.9Q36 Y109 S110Q36-T38 PolarHBondContact O-N 2.95Å; T38-Y109 VanDerWaalsContact OG1-CA 3.28Å; T38-Y109 WeakPolarHBondContact OG1-CA 3.23Å; T38-S110 PolarHBondContact N-O 3.21Å; T38-S110 PolarHBondContact OG1-N 3.12Å; T38-S110 PolarHBondContact OG1-O 2.96Å
39A97.9Very high96.9Very high15 Ų1567.4 Ų67.412%0.12434%0.335CS..  trans-158-179.7176.600000110.5N37 Q43 F44 Y109 F111N37-A39 VanDerWaalsContact C-N 3.32Å; A39-Q43 VanDerWaalsContact CA-OE1 3.29Å; A39-Q43 VanDerWaalsContact CB-OE1 3.25Å; A39-F44 HydrophobicContact CB-CE2 3.84Å; A39-F44 HydrophobicContact CB-CZ 4.16Å; A39-Y109 HydrophobicContact CB-CD1 3.81Å; A39-Y109 HydrophobicContact CB-CG 3.88Å; A39-F111 HydrophobicContact CB-CD1 3.82Å; A39-F111 HydrophobicContact CB-CE1 4Å; A39-F111 WeakPolarHBondContact O-CB 3.07Å; A39-F111 VanDerWaalsContact O-CG 3.31Å; A39-F111 WeakPolarHBondContact O-CG 3.45Å
40S96.6Very high96.8Very high41 Ų4162.8 Ų62.829%0.28732%0.316SS..  trans-133.8163.6170.184.20000111.7E42 Q43 F44S40-E42 VanDerWaalsContact C-N 3.28Å; S40-E42 WeakPolarHBondContact CB-OE2 3.47Å; S40-E42 PolarHBondContact O-N 3.07Å; S40-E42 PolarHBondContact OG-OE2 2.77Å; S40-Q43 PolarHBondContact O-N 3.31Å; S40-F44 VanDerWaalsContact O-CD2 3.25Å; S40-F44 WeakPolarHBondContact O-CD2 3.46Å; S40-F44 WeakPolarHBondContact O-CE2 3.39Å
41L96.4Very high96.6Very high26 Ų2658.8 Ų58.814%0.13630%0.302CS..G310 helixtrans-64.3-34.3-175.1-173.861000112.4Q43 F44 M72 F111 Y118 V338L41-Q43 PolarHBondContact O-N 2.95Å; L41-F44 PolarHBondContact O-N 3.11Å; L41-F44 VanDerWaalsContact O-N 3.15Å; L41-M72 HydrophobicContact CD1-CE 4.25Å; L41-M72 HydrophobicContact CD1-SD 3.92Å; L41-F111 HydrophobicContact CB-CE2 3.94Å; L41-F111 HydrophobicContact CB-CZ 4.36Å; L41-F111 HydrophobicContact CD1-CZ 4.47Å; L41-Y118 HydrophobicContact CD1-CD1 4.24Å; L41-Y118 HydrophobicContact CD1-CE1 3.74Å; L41-Y118 HydrophobicContact CD2-CE1 4.43Å; L41-V338 HydrophobicContact CD2-CG2 4.36Å
42E96.6Very high96.3Very high134 Ų13461.3 Ų61.363%0.62632%0.321SS*.G310 helixtrans-66.6-25.3-175.4-58.372.7-155.500112.4S40 F44 R64S40-E42 VanDerWaalsContact C-N 3.28Å; S40-E42 WeakPolarHBondContact CB-OE2 3.47Å; S40-E42 PolarHBondContact O-N 3.07Å; S40-E42 PolarHBondContact OG-OE2 2.77Å; E42-F44 PolarHBondContact O-N 3.18Å; E42-R64 VanDerWaalsContact O-CD 3.22Å; E42-R64 WeakPolarHBondContact O-CD 3.19Å; E42-R64 PolarHBondContact O-NE 2.95Å
43Q98.1Very high95.7Very high69 Ų6958 Ų5832%0.32232%0.32SS..G310 helixtrans-67.7-13177-65.5174.8-24.700112.8A39 S40 L41 R64A39-Q43 VanDerWaalsContact CA-OE1 3.29Å; A39-Q43 VanDerWaalsContact CB-OE1 3.25Å; S40-Q43 PolarHBondContact O-N 3.31Å; L41-Q43 PolarHBondContact O-N 2.95Å; Q43-R64 WeakPolarHBondContact O-CG 3.31Å; Q43-R64 PolarHBondContact O-N 3.22Å
44F98.3Very high94.9Very high5 Ų557.2 Ų57.22%0.02232%0.324CS..EExtended strand (participates in β ladder)trans-115.6134.6-176.5-58.4-84.7000112A39 S40 L41 E42 V61 K62 H63 Y70 M72 Y109 F111 V120A39-F44 HydrophobicContact CB-CE2 3.84Å; A39-F44 HydrophobicContact CB-CZ 4.16Å; S40-F44 VanDerWaalsContact O-CD2 3.25Å; S40-F44 WeakPolarHBondContact O-CD2 3.46Å; S40-F44 WeakPolarHBondContact O-CE2 3.39Å; L41-F44 PolarHBondContact O-N 3.11Å; L41-F44 VanDerWaalsContact O-N 3.15Å; E42-F44 PolarHBondContact O-N 3.18Å; F44-V61 HydrophobicContact CB-CB 4.13Å; F44-V61 HydrophobicContact CB-CG2 4.3Å; F44-V61 HydrophobicContact CD1-CB 4.42Å; F44-V61 HydrophobicContact CD1-CG2 3.76Å; F44-V61 HydrophobicContact CG-CG2 4.26Å; F44-K62 WeakPolarHBondContact CA-O 3.22Å; F44-H63 HydrophobicContact CD1-CB 4.12Å; F44-H63 HydrophobicContact CE1-CB 4.02Å; F44-H63 AromaticContact CE1-CD2 3.69Å; F44-H63 AromaticContact CZ-CD2 3.92Å; F44-Y70 HydrophobicContact CD1-CD2 4.48Å; F44-Y70 HydrophobicContact CE1-CD2 4.02Å; F44-Y70 HydrophobicContact CE1-CE2 4.34Å; F44-M72 HydrophobicContact CB-CE 3.84Å; F44-M72 HydrophobicContact CD1-CE 4.25Å; F44-M72 HydrophobicContact CD2-CE 3.48Å; F44-M72 VanDerWaalsContact CD2-CE 3.48Å; F44-M72 HydrophobicContact CE2-CE 4.08Å; F44-M72 HydrophobicContact CG-CE 3.58Å; F44-Y109 HydrophobicContact CE1-CD2 4.43Å; F44-Y109 AromaticContact CZ-CD2 3.9Å; F44-Y109 HydrophobicContact CZ-CD2 3.9Å; F44-Y109 HydrophobicContact CZ-CE2 4.27Å; F44-Y109 HydrophobicContact CZ-CG 4.35Å; F44-F111 HydrophobicContact CD2-CE1 4.49Å; F44-F111 HydrophobicContact CD2-CZ 4.47Å; F44-F111 AromaticContact CE2-CE1 3.98Å; F44-F111 HydrophobicContact CE2-CE1 3.98Å; F44-F111 HydrophobicContact CE2-CZ 4.39Å; F44-V120 HydrophobicContact CE1-CG1 3.92Å; F44-V120 HydrophobicContact CE2-CG2 4.27Å; F44-V120 HydrophobicContact CZ-CG1 4.08Å; F44-V120 HydrophobicContact CZ-CG2 4.11Å
45E97.9Very high94.5Very high82 Ų8257.1 Ų57.138%0.38332%0.319SS..EExtended strand (participates in β ladder)trans-87.3128.3163.1-179.7-179.4-161.500108.8L47 V61 K62E45-L47 HydrophobicContact CG-CD2 4.01Å; E45-V61 CarbonylContact O-C 3.49Å; E45-V61 WeakPolarHBondContact O-CA 3.41Å; E45-V61 WeakPolarHBondContact O-CB 3.28Å; E45-K62 HydrophobicContact CB-CB 4.48Å; E45-K62 PolarHBondContact N-O 2.88Å; E45-K62 PolarHBondContact O-N 2.77Å
46R96.4Very high94.2Very high119 Ų11955.5 Ų55.545%0.44931%0.311SS..EExtended strand (participates in β ladder)trans-88.8130.8178.8-59.1172.3-63-161.71.3109M59 V61R46-M59 HydrophobicContact CB-CE 4.18Å; R46-V61 HydrophobicContact CG-CG1 4.33Å
47L96.7Very high94.2Very high71 Ų7152.5 Ų52.537%0.37230%0.296SS..EExtended strand (participates in β ladder)trans-111.1-64.3-173.2-60178.5000112.4E45 L60 K62E45-L47 HydrophobicContact CG-CD2 4.01Å; L47-L60 HydrophobicContact CB-CB 4.41Å; L47-L60 HydrophobicContact CB-CD2 4.26Å; L47-L60 HydrophobicContact CB-CG 4.23Å; L47-L60 WeakPolarHBondContact CB-O 3.31Å; L47-L60 HydrophobicContact CD1-CD2 3.99Å; L47-L60 HydrophobicContact CD1-CG 4.03Å; L47-L60 PolarHBondContact N-O 3.17Å; L47-K62 HydrophobicContact CD1-CB 3.97Å
48K97.2Very high94.3Very high39 Ų3949.7 Ų49.717%0.1728%0.283CS..EExtended strand (participates in β ladder)trans-150.3146.6-174.2-171-173.9177.1177.90111M59 L60 T325 D330 E333K48-M59 CarbonylContact O-C 3.59Å; K48-M59 VanDerWaalsContact O-CA 3.32Å; K48-M59 WeakPolarHBondContact O-CA 3.34Å; K48-L60 PolarHBondContact N-O 2.79Å; K48-L60 PolarHBondContact O-N 3.13Å; K48-T325 HydrophobicContact CB-CG2 4.43Å; K48-T325 HydrophobicContact CD-CG2 3.98Å; K48-T325 VanDerWaalsContact CD-OG1 3.24Å; K48-T325 WeakPolarHBondContact CD-OG1 3.39Å; K48-T325 PolarHBondContact NZ-OG1 3.3Å; K48-D330 WeakPolarHBondContact CE-OD1 3.33Å; K48-D330 IonicContact NZ-OD1 2.68Å; K48-D330 PolarHBondContact NZ-OD1 3.15Å; K48-E333 WeakPolarHBondContact CA-OE1 3.49Å
49T97.4Very high94.3Very high0 Ų047.4 Ų47.40%027%0.268CS..EExtended strand (participates in β ladder)trans-73.5125.3167.6-63.90000111.4T52 R57 Y331 E333T49-T52 HydrophobicContact CG2-CG2 3.98Å; T49-R57 PolarHBondContact OG1-NE 3.33Å; T49-R57 PolarHBondContact OG1-NH2 3.09Å; T49-Y331 HydrophobicContact CG2-CD2 4.3Å; T49-Y331 HydrophobicContact CG2-CG 4.12Å; T49-E333 PolarHBondContact N-OE1 2.87Å; T49-E333 PolarHBondContact N-OE2 3.32Å; T49-E333 PolarHBondContact OG1-OE2 2.95Å
50L96Very high94.3Very high8 Ų846.9 Ų46.94%0.04226%0.263CS..EExtended strand (participates in β ladder)trans-93.9-23.8178.5-61.8175.5000112.3V58 L60 A71 Y123 T325 F328 Y331L50-V58 HydrophobicContact CB-CG1 4.34Å; L50-V58 HydrophobicContact CD1-CG1 4.29Å; L50-V58 PolarHBondContact N-O 3.48Å; L50-L60 HydrophobicContact CD1-CB 4Å; L50-L60 HydrophobicContact CD2-CB 4.04Å; L50-L60 HydrophobicContact CG-CB 3.99Å; L50-A71 HydrophobicContact CD1-CB 4.2Å; L50-Y123 HydrophobicContact CD1-CD2 3.8Å; L50-Y123 HydrophobicContact CD1-CE2 3.53Å; L50-Y123 HydrophobicContact CD2-CE2 4.04Å; L50-Y123 HydrophobicContact CG-CE2 4.45Å; L50-T325 HydrophobicContact CD2-CG2 3.8Å; L50-F328 HydrophobicContact CB-CD1 3.98Å; L50-F328 HydrophobicContact CB-CE1 4.27Å; L50-F328 HydrophobicContact CB-CG 4.47Å; L50-F328 HydrophobicContact CD2-CB 4.19Å; L50-F328 HydrophobicContact CD2-CD1 4.1Å; L50-F328 HydrophobicContact CD2-CD2 3.91Å; L50-F328 HydrophobicContact CD2-CE1 4.48Å; L50-F328 HydrophobicContact CD2-CE2 4.32Å; L50-F328 HydrophobicContact CD2-CG 3.8Å; L50-Y331 WeakPolarHBondContact O-CE2 3.37Å
51G93.7Very high94.4Very high13 Ų1344.9 Ų44.913%0.13425%0.249CC..EExtended strand (participates in β ladder)trans-176.2156.9-179.900000112.5R57 V58G51-R57 CarbonylContact O-C 3.38Å; G51-R57 WeakPolarHBondContact O-CA 3.15Å; G51-V58 PolarHBondContact N-O 2.73Å; G51-V58 PolarHBondContact O-N 2.9Å
52T91.6Very high94.5Very high84 Ų8447.2 Ų47.252%0.51526%0.258SS..EExtended strand (participates in β ladder)trans-126134.6178.757.80000110.5T49 R57 Y331T49-T52 HydrophobicContact CG2-CG2 3.98Å; T52-R57 HydrophobicContact CG2-CB 4.43Å; T52-Y331 HydrophobicContact CG2-CD1 3.88Å; T52-Y331 HydrophobicContact CG2-CG 4.29Å
53G83.6Confident94.6Very high53 Ų5341.3 Ų41.355%0.54623%0.231SC..  trans-118.9178.5174.100000112F55 G56G53-F55 PolarHBondContact O-N 3.27Å; G53-F55 VanDerWaalsContact O-N 3.13Å; G53-G56 CarbonylContact C-O 3.55Å; G53-G56 PolarHBondContact N-O 2.67Å; G53-G56 VanDerWaalsContact O-O 3.08Å
54S80.3Confident94.6Very high105 Ų10545.4 Ų45.473%0.73424%0.243SC*.SBendtrans-62.6-25.3-173.2-44.30000114.7
55F86.1Confident94.6Very high40 Ų4053.2 Ų53.218%0.17528%0.279CS..SBendtrans-132.67.9-177.150-89.3000114.4G53 L75 N76 K79 V80 L83 Q85G53-F55 PolarHBondContact O-N 3.27Å; G53-F55 VanDerWaalsContact O-N 3.13Å; F55-L75 HydrophobicContact CD2-CD2 3.77Å; F55-L75 HydrophobicContact CE2-CD1 4.3Å; F55-L75 HydrophobicContact CE2-CD2 3.8Å; F55-N76 PolarHBondContact O-N 2.82Å; F55-K79 HydrophobicContact CB-CB 4.13Å; F55-V80 HydrophobicContact CB-CG2 4.36Å; F55-V80 HydrophobicContact CD2-CG2 3.78Å; F55-V80 HydrophobicContact CG-CG2 4.37Å; F55-L83 HydrophobicContact CB-CD1 4.05Å; F55-L83 HydrophobicContact CD1-CD1 4.15Å; F55-Q85 HydrophobicContact CD1-CG 4.3Å; F55-Q85 HydrophobicContact CE1-CG 4.09Å
56G89.7Confident94.6Very high22 Ų2253.5 Ų53.523%0.22729%0.287CS..EExtended strand (participates in β ladder)trans-168.1-177.6-17800000113.3G53 I74G53-G56 CarbonylContact C-O 3.55Å; G53-G56 PolarHBondContact N-O 2.67Å; G53-G56 VanDerWaalsContact O-O 3.08Å; G56-I74 CarbonylContact C-O 3.57Å; G56-I74 WeakPolarHBondContact CA-O 3.47Å
57R94.9Very high94.6Very high22 Ų2249.2 Ų49.28%0.08328%0.28CS..EExtended strand (participates in β ladder)trans-138.5160.2176.378.8-171.8-52.2160.817.7110.1T49 G51 T52 M59 K73 I74 E332 E333 E334T49-R57 PolarHBondContact OG1-NE 3.33Å; T49-R57 PolarHBondContact OG1-NH2 3.09Å; G51-R57 CarbonylContact O-C 3.38Å; G51-R57 WeakPolarHBondContact O-CA 3.15Å; T52-R57 HydrophobicContact CG2-CB 4.43Å; R57-M59 HydrophobicContact CG-CG 3.93Å; R57-M59 HydrophobicContact CG-SD 4.44Å; R57-K73 CarbonylContact O-C 3.38Å; R57-K73 WeakPolarHBondContact O-CA 3.23Å; R57-I74 HydrophobicContact CG-CB 4.33Å; R57-I74 HydrophobicContact CG-CD1 3.83Å; R57-I74 PolarHBondContact N-O 3.22Å; R57-I74 PolarHBondContact O-N 3.18Å; R57-E332 PolarHBondContact NH2-O 3.34Å; R57-E333 IonicContact NH2-OE2 2.92Å; R57-E334 VanDerWaalsContact NH1-N 3.1Å; R57-E334 PolarHBondContact NH1-O 2.82Å
58V97.3Very high94.7Very high38 Ų3850.6 Ų50.623%0.2328%0.284CS..EExtended strand (participates in β ladder)trans-111.8127.1169.3-176.40000107.7L50 G51 A71 M72 K73L50-V58 HydrophobicContact CB-CG1 4.34Å; L50-V58 HydrophobicContact CD1-CG1 4.29Å; L50-V58 PolarHBondContact N-O 3.48Å; G51-V58 PolarHBondContact N-O 2.73Å; G51-V58 PolarHBondContact O-N 2.9Å; V58-A71 HydrophobicContact CG1-CB 3.93Å; V58-M72 CarbonylContact C-O 3.44Å; V58-M72 WeakPolarHBondContact CA-O 3.33Å; V58-K73 HydrophobicContact CG2-CB 4.23Å; V58-K73 HydrophobicContact CG2-CG 4.09Å
59M97.9Very high94.7Very high10 Ų1050.1 Ų50.15%0.04928%0.283CS..EExtended strand (participates in β ladder)trans-118.5139.7176.8-63.7-173.180.400110.7R46 K48 R57 V61 A71 M72 I74 I336R46-M59 HydrophobicContact CB-CE 4.18Å; K48-M59 CarbonylContact O-C 3.59Å; K48-M59 VanDerWaalsContact O-CA 3.32Å; K48-M59 WeakPolarHBondContact O-CA 3.34Å; R57-M59 HydrophobicContact CG-CG 3.93Å; R57-M59 HydrophobicContact CG-SD 4.44Å; M59-V61 HydrophobicContact CB-CG1 4.33Å; M59-V61 PolarHBondContact O-N 2.85Å; M59-A71 CarbonylContact O-C 3.58Å; M59-M72 PolarHBondContact N-O 2.87Å; M59-M72 PolarHBondContact O-N 2.73Å; M59-I74 HydrophobicContact CB-CD1 4.18Å; M59-I74 HydrophobicContact CG-CD1 3.72Å; M59-I74 HydrophobicContact SD-CD1 3.65Å; M59-I336 HydrophobicContact SD-CD1 3.76Å; M59-I336 HydrophobicContact SD-CG1 4.24Å
60L98.4Very high94.8Very high3 Ų351.1 Ų51.12%0.01629%0.287CS..EExtended strand (participates in β ladder)trans-65.8126.3160-178.664.9000108.1L47 K48 L50 H69 Y70 Y123 T325L47-L60 HydrophobicContact CB-CB 4.41Å; L47-L60 HydrophobicContact CB-CD2 4.26Å; L47-L60 HydrophobicContact CB-CG 4.23Å; L47-L60 WeakPolarHBondContact CB-O 3.31Å; L47-L60 HydrophobicContact CD1-CD2 3.99Å; L47-L60 HydrophobicContact CD1-CG 4.03Å; L47-L60 PolarHBondContact N-O 3.17Å; K48-L60 PolarHBondContact N-O 2.79Å; K48-L60 PolarHBondContact O-N 3.13Å; L50-L60 HydrophobicContact CD1-CB 4Å; L50-L60 HydrophobicContact CD2-CB 4.04Å; L50-L60 HydrophobicContact CG-CB 3.99Å; L60-H69 HydrophobicContact CD1-CB 4.07Å; L60-Y70 WeakPolarHBondContact CA-O 3.18Å; L60-Y123 HydrophobicContact CD1-CD1 3.63Å; L60-Y123 HydrophobicContact CD1-CD2 3.89Å; L60-Y123 HydrophobicContact CD1-CE1 3.81Å; L60-Y123 HydrophobicContact CD1-CE2 4.11Å; L60-Y123 HydrophobicContact CD1-CG 3.66Å; L60-T325 HydrophobicContact CB-CG2 4.49Å; L60-T325 HydrophobicContact CD2-CG2 3.44Å; L60-T325 VanDerWaalsContact CD2-CG2 3.44Å
61V98.6Very high94.9Very high0 Ų051.2 Ų51.20%029%0.289CS..EExtended strand (participates in β ladder)trans-129.5156.3174.9-57.20000110.2F44 E45 R46 M59 H69 Y70 M72F44-V61 HydrophobicContact CB-CB 4.13Å; F44-V61 HydrophobicContact CB-CG2 4.3Å; F44-V61 HydrophobicContact CD1-CB 4.42Å; F44-V61 HydrophobicContact CD1-CG2 3.76Å; F44-V61 HydrophobicContact CG-CG2 4.26Å; E45-V61 CarbonylContact O-C 3.49Å; E45-V61 WeakPolarHBondContact O-CA 3.41Å; E45-V61 WeakPolarHBondContact O-CB 3.28Å; R46-V61 HydrophobicContact CG-CG1 4.33Å; M59-V61 HydrophobicContact CB-CG1 4.33Å; M59-V61 PolarHBondContact O-N 2.85Å; V61-H69 CarbonylContact O-C 3.56Å; V61-H69 WeakPolarHBondContact O-CA 3.14Å; V61-Y70 PolarHBondContact N-O 2.86Å; V61-Y70 PolarHBondContact O-N 3.34Å; V61-M72 HydrophobicContact CG1-CB 3.71Å; V61-M72 HydrophobicContact CG1-CE 4.2Å; V61-M72 HydrophobicContact CG1-SD 4.15Å; V61-M72 HydrophobicContact CG2-CB 3.92Å; V61-M72 HydrophobicContact CG2-CE 4.18Å
62K98.6Very high95.1Very high75 Ų7550.6 Ų50.633%0.32628%0.282SS..EExtended strand (participates in β ladder)trans-120125.1174-176.3-179.8178.1-174.60109.3F44 E45 L47 R64 G67 Q68F44-K62 WeakPolarHBondContact CA-O 3.22Å; E45-K62 HydrophobicContact CB-CB 4.48Å; E45-K62 PolarHBondContact N-O 2.88Å; E45-K62 PolarHBondContact O-N 2.77Å; L47-K62 HydrophobicContact CD1-CB 3.97Å; K62-R64 PolarHBondContact O-N 2.84Å; K62-G67 WeakPolarHBondContact CE-O 3.28Å; K62-Q68 CarbonylContact C-O 3.6Å; K62-Q68 WeakPolarHBondContact CA-O 3.36Å
63H98.5Very high95.4Very high10 Ų1047.6 Ų47.65%0.04626%0.262CS..EExtended strand (participates in β ladder)trans-68.3127.2174.2-173.2-67.7000109.2F44 E65 T66 G67 Q68 Y70F44-H63 HydrophobicContact CD1-CB 4.12Å; F44-H63 HydrophobicContact CE1-CB 4.02Å; F44-H63 AromaticContact CE1-CD2 3.69Å; F44-H63 AromaticContact CZ-CD2 3.92Å; H63-E65 IonicContact CE1-OE2 2.74Å; H63-E65 PolarHBondContact ND1-N 3.48Å; H63-E65 PolarHBondContact O-N 3.44Å; H63-T66 WeakPolarHBondContact CB-OG1 3.38Å; H63-T66 PolarHBondContact ND1-N 3.23Å; H63-T66 PolarHBondContact ND1-OG1 3.3Å; H63-G67 VanDerWaalsContact O-CA 3.26Å; H63-G67 WeakPolarHBondContact O-CA 3.45Å; H63-G67 PolarHBondContact O-N 3.28Å; H63-Q68 PolarHBondContact N-O 2.98Å; H63-Y70 HydrophobicContact CB-CD2 4.27Å; H63-Y70 HydrophobicContact CB-CE2 3.73Å
64R98.3Very high96.1Very high155 Ų15545.4 Ų45.459%0.58524%0.238SC*.THydrogen-bonded Turntrans-63.4-41.5-169.2-69.9179.9-176.1-76.4-4.4113E42 Q43 K62E42-R64 VanDerWaalsContact O-CD 3.22Å; E42-R64 WeakPolarHBondContact O-CD 3.19Å; E42-R64 PolarHBondContact O-NE 2.95Å; Q43-R64 WeakPolarHBondContact O-CG 3.31Å; Q43-R64 PolarHBondContact O-N 3.22Å; K62-R64 PolarHBondContact O-N 2.84Å
65E97.5Very high96.9Very high168 Ų16840.5 Ų40.579%0.78520%0.203SC*.THydrogen-bonded Turntrans-78.4-50.8-176.7-57.1179.4165.500112.8H63H63-E65 IonicContact CE1-OE2 2.74Å; H63-E65 PolarHBondContact ND1-N 3.48Å; H63-E65 PolarHBondContact O-N 3.44Å
66T97.6Very high97.5Very high89 Ų8940.4 Ų40.455%0.54620%0.204SC..THydrogen-bonded Turntrans-82.7-19.2-175.464.50000113.6H63 Q68H63-T66 WeakPolarHBondContact CB-OG1 3.38Å; H63-T66 PolarHBondContact ND1-N 3.23Å; H63-T66 PolarHBondContact ND1-OG1 3.3Å; T66-Q68 PolarHBondContact O-N 2.97Å; T66-Q68 WeakPolarHBondContact OG1-CB 3.23Å; T66-Q68 PolarHBondContact OG1-N 3.44Å
67G97.3Very high97.9Very high28 Ų2839.4 Ų39.429%0.28919%0.194SC..  trans70.34.3-173.100000114.7K62 H63K62-G67 WeakPolarHBondContact CE-O 3.28Å; H63-G67 VanDerWaalsContact O-CA 3.26Å; H63-G67 WeakPolarHBondContact O-CA 3.45Å; H63-G67 PolarHBondContact O-N 3.28Å
68Q97.9Very high98Very high101 Ų10143.4 Ų43.447%0.47221%0.214SC..  trans-72.4141-179-176.860.144.400111.2K62 H63 T66 Y70K62-Q68 CarbonylContact C-O 3.6Å; K62-Q68 WeakPolarHBondContact CA-O 3.36Å; H63-Q68 PolarHBondContact N-O 2.98Å; T66-Q68 PolarHBondContact O-N 2.97Å; T66-Q68 WeakPolarHBondContact OG1-CB 3.23Å; T66-Q68 PolarHBondContact OG1-N 3.44Å; Q68-Y70 HydrophobicContact CB-CE2 3.68Å; Q68-Y70 HydrophobicContact CG-CD2 4.4Å; Q68-Y70 HydrophobicContact CG-CE1 4.1Å; Q68-Y70 HydrophobicContact CG-CE2 3.61Å; Q68-Y70 VanDerWaalsContact CG-CZ 3.44Å; Q68-Y70 WeakPolarHBondContact CG-OH 3.41Å; Q68-Y70 WeakPolarHBondContact O-CD2 3.17Å; Q68-Y70 WeakPolarHBondContact O-CE2 3.24Å
69H98.4Very high97.9Very high29 Ų2946.8 Ų46.813%0.13423%0.225CC..EExtended strand (participates in β ladder)trans-93.3142.8178.1-65.578.2000111.4L60 V61 Y123L60-H69 HydrophobicContact CD1-CB 4.07Å; V61-H69 CarbonylContact O-C 3.56Å; V61-H69 WeakPolarHBondContact O-CA 3.14Å; H69-Y123 HydrophobicContact CB-CD1 4.35Å
70Y98.7Very high97.9Very high21 Ų2146.3 Ų46.38%0.08222%0.223CC..EExtended strand (participates in β ladder)trans-140.8159.4-178.9-59.7-86.2000111.4F44 L60 V61 H63 Q68 E108 Y109 V120 M121F44-Y70 HydrophobicContact CD1-CD2 4.48Å; F44-Y70 HydrophobicContact CE1-CD2 4.02Å; F44-Y70 HydrophobicContact CE1-CE2 4.34Å; L60-Y70 WeakPolarHBondContact CA-O 3.18Å; V61-Y70 PolarHBondContact N-O 2.86Å; V61-Y70 PolarHBondContact O-N 3.34Å; H63-Y70 HydrophobicContact CB-CD2 4.27Å; H63-Y70 HydrophobicContact CB-CE2 3.73Å; Q68-Y70 HydrophobicContact CB-CE2 3.68Å; Q68-Y70 HydrophobicContact CG-CD2 4.4Å; Q68-Y70 HydrophobicContact CG-CE1 4.1Å; Q68-Y70 HydrophobicContact CG-CE2 3.61Å; Q68-Y70 VanDerWaalsContact CG-CZ 3.44Å; Q68-Y70 WeakPolarHBondContact CG-OH 3.41Å; Q68-Y70 WeakPolarHBondContact O-CD2 3.17Å; Q68-Y70 WeakPolarHBondContact O-CE2 3.24Å; Y70-E108 HydrophobicContact CD1-CB 4.31Å; Y70-E108 HydrophobicContact CD1-CG 4.22Å; Y70-E108 HydrophobicContact CE1-CB 3.96Å; Y70-E108 HydrophobicContact CE1-CG 3.88Å; Y70-Y109 AromaticContact CE1-CE2 3.97Å; Y70-Y109 HydrophobicContact CE1-CE2 3.97Å; Y70-Y109 HydrophobicContact CE2-CE2 4.35Å; Y70-Y109 AromaticContact CZ-CE2 3.8Å; Y70-V120 VanDerWaalsContact CB-CG1 3.43Å; Y70-V120 HydrophobicContact CD1-CG1 3.94Å; Y70-V120 HydrophobicContact CD2-CG1 4.31Å; Y70-V120 HydrophobicContact CG-CG1 3.64Å; Y70-M121 CarbonylContact C-O 3.6Å; Y70-M121 WeakPolarHBondContact CA-O 3.33Å; Y70-M121 WeakPolarHBondContact CB-O 3.42Å
71A98.5Very high97.8Very high10 Ų1048.3 Ų48.38%0.08324%0.235CC..EExtended strand (participates in β ladder)trans-99.9108.9167.700000109.5L50 V58 M59 M121 Y123L50-A71 HydrophobicContact CD1-CB 4.2Å; V58-A71 HydrophobicContact CG1-CB 3.93Å; M59-A71 CarbonylContact O-C 3.58Å; A71-M121 HydrophobicContact CB-CE 4.5Å; A71-M121 PolarHBondContact N-O 2.83Å; A71-M121 PolarHBondContact O-N 2.81Å; A71-Y123 HydrophobicContact CB-CD2 4.39Å
72M98.6Very high97.7Very high0 Ų056.7 Ų56.70%027%0.271CS..EExtended strand (participates in β ladder)trans-95.1109.8179.1-175.6-175.9-76.900110.5L41 F44 V58 M59 V61 I74 F111 Y118 M119 V120L41-M72 HydrophobicContact CD1-CE 4.25Å; L41-M72 HydrophobicContact CD1-SD 3.92Å; F44-M72 HydrophobicContact CB-CE 3.84Å; F44-M72 HydrophobicContact CD1-CE 4.25Å; F44-M72 HydrophobicContact CD2-CE 3.48Å; F44-M72 VanDerWaalsContact CD2-CE 3.48Å; F44-M72 HydrophobicContact CE2-CE 4.08Å; F44-M72 HydrophobicContact CG-CE 3.58Å; V58-M72 CarbonylContact C-O 3.44Å; V58-M72 WeakPolarHBondContact CA-O 3.33Å; M59-M72 PolarHBondContact N-O 2.87Å; M59-M72 PolarHBondContact O-N 2.73Å; V61-M72 HydrophobicContact CG1-CB 3.71Å; V61-M72 HydrophobicContact CG1-CE 4.2Å; V61-M72 HydrophobicContact CG1-SD 4.15Å; V61-M72 HydrophobicContact CG2-CB 3.92Å; V61-M72 HydrophobicContact CG2-CE 4.18Å; M72-I74 HydrophobicContact CG-CD1 4.46Å; M72-I74 HydrophobicContact CG-CG1 3.95Å; M72-I74 HydrophobicContact SD-CD1 4.45Å; M72-I74 HydrophobicContact SD-CG1 4.1Å; M72-F111 HydrophobicContact CE-CE1 4.34Å; M72-F111 HydrophobicContact CE-CZ 3.93Å; M72-Y118 HydrophobicContact CG-CD1 4.21Å; M72-Y118 HydrophobicContact SD-CD1 3.72Å; M72-Y118 HydrophobicContact SD-CE1 4.31Å; M72-M119 CarbonylContact C-O 3.46Å; M72-M119 WeakPolarHBondContact CA-O 3.46Å; M72-V120 HydrophobicContact CE-CG2 3.74Å; M72-V120 HydrophobicContact CG-CG2 4.11Å
73K97.9Very high97.5Very high20 Ų2056.9 Ų56.99%0.08728%0.276CS..EExtended strand (participates in β ladder)trans-80.1120.7169-166.5174.6-165.9-170.80108.7R57 V58 L75 E92 Y118 M119 M121 D185R57-K73 CarbonylContact O-C 3.38Å; R57-K73 WeakPolarHBondContact O-CA 3.23Å; V58-K73 HydrophobicContact CG2-CB 4.23Å; V58-K73 HydrophobicContact CG2-CG 4.09Å; K73-L75 HydrophobicContact CD-CD2 4.33Å; K73-L75 HydrophobicContact CG-CD2 3.91Å; K73-L75 HydrophobicContact CG-CG 4.41Å; K73-E92 IonicContact NZ-OE1 3.17Å; K73-E92 PolarHBondContact NZ-OE1 2.95Å; K73-E92 IonicContact NZ-OE2 3.25Å; K73-E92 PolarHBondContact NZ-OE2 2.97Å; K73-Y118 WeakPolarHBondContact O-CA 3.04Å; K73-M119 HydrophobicContact CB-CB 4.33Å; K73-M119 HydrophobicContact CD-CE 3.89Å; K73-M119 HydrophobicContact CG-CE 4.39Å; K73-M119 PolarHBondContact N-O 2.71Å; K73-M119 PolarHBondContact O-N 2.81Å; K73-M121 HydrophobicContact CB-CE 3.83Å; K73-D185 IonicContact NZ-OD1 3.7Å; K73-D185 PolarHBondContact NZ-OD1 3.39Å
74I97.9Very high97.3Very high8 Ų865.1 Ų65.14%0.04131%0.311CS..EExtended strand (participates in β ladder)trans-114.2118.8-177.9-55.4136.9000107.9G56 R57 M59 M72 N116 L117 Y118 I336G56-I74 CarbonylContact C-O 3.57Å; G56-I74 WeakPolarHBondContact CA-O 3.47Å; R57-I74 HydrophobicContact CG-CB 4.33Å; R57-I74 HydrophobicContact CG-CD1 3.83Å; R57-I74 PolarHBondContact N-O 3.22Å; R57-I74 PolarHBondContact O-N 3.18Å; M59-I74 HydrophobicContact CB-CD1 4.18Å; M59-I74 HydrophobicContact CG-CD1 3.72Å; M59-I74 HydrophobicContact SD-CD1 3.65Å; M72-I74 HydrophobicContact CG-CD1 4.46Å; M72-I74 HydrophobicContact CG-CG1 3.95Å; M72-I74 HydrophobicContact SD-CD1 4.45Å; M72-I74 HydrophobicContact SD-CG1 4.1Å; I74-N116 HydrophobicContact CG2-CB 4.03Å; I74-L117 WeakPolarHBondContact CA-O 3.3Å; I74-Y118 HydrophobicContact CB-CD1 4.36Å; I74-Y118 HydrophobicContact CB-CE1 4.35Å; I74-Y118 HydrophobicContact CG1-CD1 3.8Å; I74-Y118 HydrophobicContact CG1-CE1 3.89Å; I74-Y118 HydrophobicContact CG2-CD1 4.16Å; I74-Y118 HydrophobicContact CG2-CE1 3.72Å; I74-I336 HydrophobicContact CD1-CD1 3.33Å; I74-I336 HydrophobicContact CD1-CG1 4.25Å; I74-I336 HydrophobicContact CG1-CD1 4.06Å; I74-I336 HydrophobicContact CG2-CD1 4.47Å; I74-I336 HydrophobicContact CG2-CG2 4.22Å
75L97.5Very high97.2Very high1 Ų159.6 Ų59.61%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-117.2127.3-177.6-51.8178.5000110.3F55 K73 K77 V80 T89 N116 L117 M119F55-L75 HydrophobicContact CD2-CD2 3.77Å; F55-L75 HydrophobicContact CE2-CD1 4.3Å; F55-L75 HydrophobicContact CE2-CD2 3.8Å; K73-L75 HydrophobicContact CD-CD2 4.33Å; K73-L75 HydrophobicContact CG-CD2 3.91Å; K73-L75 HydrophobicContact CG-CG 4.41Å; L75-K77 PolarHBondContact O-N 3.39Å; L75-V80 HydrophobicContact CB-CG2 4.11Å; L75-T89 HydrophobicContact CD1-CG2 3.54Å; L75-N116 CarbonylContact O-C 3.54Å; L75-N116 WeakPolarHBondContact O-CA 3.22Å; L75-L117 HydrophobicContact CB-CB 4.28Å; L75-L117 PolarHBondContact N-O 2.51Å; L75-L117 PolarHBondContact O-N 2.75Å; L75-M119 HydrophobicContact CD1-CE 3.65Å; L75-M119 HydrophobicContact CG-CE 4.41Å
76N97.2Very high97.2Very high38 Ų3853.8 Ų53.820%0.20327%0.266CS..EExtended strand (participates in β ladder)trans-79.1119.8177.4179.3-74.3000110.4F55 Q78 K79 V80F55-N76 PolarHBondContact O-N 2.82Å; N76-Q78 VanDerWaalsContact C-N 3.32Å; N76-Q78 PolarHBondContact O-N 3.02Å; N76-Q78 PolarHBondContact OD1-N 2.92Å; N76-Q78 VanDerWaalsContact OD1-N 3.07Å; N76-K79 HydrophobicContact CB-CB 4.08Å; N76-K79 HydrophobicContact CB-CD 4.11Å; N76-K79 HydrophobicContact CB-CG 4.04Å; N76-K79 PolarHBondContact O-N 3.13Å; N76-K79 VanDerWaalsContact O-N 3.12Å; N76-K79 PolarHBondContact OD1-N 2.91Å; N76-V80 WeakPolarHBondContact O-CG2 3.46Å; N76-V80 PolarHBondContact O-N 3.02Å
77K98.2Very high97.1Very high2 Ų254.3 Ų54.31%0.00926%0.262CS..Hα-helixtrans-55.3-44.1-175.2-74.6-170.8-82.6177.20113.1L75 V80 V81 D113 N114 T115 L117 K343 C344 F348L75-K77 PolarHBondContact O-N 3.39Å; K77-V80 PolarHBondContact O-N 2.74Å; K77-V81 WeakPolarHBondContact O-CG2 3.32Å; K77-V81 PolarHBondContact O-N 3.28Å; K77-D113 WeakPolarHBondContact CE-O 3.44Å; K77-D113 PolarHBondContact NZ-O 3.04Å; K77-N114 VanDerWaalsContact CE-O 3.28Å; K77-N114 WeakPolarHBondContact CE-O 3.35Å; K77-N114 PolarHBondContact NZ-O 3.32Å; K77-T115 VanDerWaalsContact CB-O 3.32Å; K77-T115 WeakPolarHBondContact CB-O 3.25Å; K77-T115 VanDerWaalsContact CE-C 3.47Å; K77-T115 WeakPolarHBondContact CG-O 3.46Å; K77-T115 PolarHBondContact N-O 3.05Å; K77-L117 HydrophobicContact CD-CD2 3.86Å; K77-L117 HydrophobicContact CD-CG 4.37Å; K77-L117 HydrophobicContact CG-CD1 4.33Å; K77-L117 HydrophobicContact CG-CD2 3.82Å; K77-L117 HydrophobicContact CG-CG 3.75Å; K77-K343 WeakPolarHBondContact CD-O 3.48Å; K77-K343 WeakPolarHBondContact CE-O 3.41Å; K77-K343 PolarHBondContact NZ-O 3.04Å; K77-C344 HydrophobicContact CB-CB 4.06Å; K77-C344 HydrophobicContact CD-CB 4.47Å; K77-F348 HydrophobicContact CB-CD2 4.01Å; K77-F348 HydrophobicContact CB-CE2 3.7Å; K77-F348 HydrophobicContact CD-CB 4.5Å; K77-F348 HydrophobicContact CD-CD2 3.6Å; K77-F348 HydrophobicContact CD-CE2 4.21Å; K77-F348 HydrophobicContact CD-CG 4.31Å; K77-F348 HydrophobicContact CG-CD2 3.65Å; K77-F348 HydrophobicContact CG-CE2 3.77Å; K77-F348 HydrophobicContact CG-CG 4.44Å
78Q97.1Very high97Very high106 Ų10653.8 Ų53.850%0.49525%0.252SS..Hα-helixtrans-68.5-38.6-179.1-62.7-177-74.200112N76 V81 K82 K343N76-Q78 VanDerWaalsContact C-N 3.32Å; N76-Q78 PolarHBondContact O-N 3.02Å; N76-Q78 PolarHBondContact OD1-N 2.92Å; N76-Q78 VanDerWaalsContact OD1-N 3.07Å; Q78-V81 PolarHBondContact O-N 3.36Å; Q78-K82 WeakPolarHBondContact O-CB 3.37Å; Q78-K82 PolarHBondContact O-N 2.73Å; Q78-K343 HydrophobicContact CG-CB 4.11Å; Q78-K343 HydrophobicContact CG-CG 4.39Å
79K96.4Very high96.9Very high109 Ų10949 Ų4947%0.47423%0.23SC..Hα-helixtrans-64.2-43174-69.1-173.4-179.51790111.1F55 N76 V81 K82 L83F55-K79 HydrophobicContact CB-CB 4.13Å; N76-K79 HydrophobicContact CB-CB 4.08Å; N76-K79 HydrophobicContact CB-CD 4.11Å; N76-K79 HydrophobicContact CB-CG 4.04Å; N76-K79 PolarHBondContact O-N 3.13Å; N76-K79 VanDerWaalsContact O-N 3.12Å; N76-K79 PolarHBondContact OD1-N 2.91Å; K79-V81 PolarHBondContact O-N 2.83Å; K79-K82 PolarHBondContact O-N 2.65Å; K79-L83 WeakPolarHBondContact O-CG 3.29Å; K79-L83 PolarHBondContact O-N 3.2Å
80V97.1Very high96.9Very high0 Ų049.5 Ų49.50%023%0.233CC..Hα-helixtrans-59-46.7176.5173.40000111.1F55 L75 N76 K77 L83 K84 Q85 T89 F348F55-V80 HydrophobicContact CB-CG2 4.36Å; F55-V80 HydrophobicContact CD2-CG2 3.78Å; F55-V80 HydrophobicContact CG-CG2 4.37Å; L75-V80 HydrophobicContact CB-CG2 4.11Å; N76-V80 WeakPolarHBondContact O-CG2 3.46Å; N76-V80 PolarHBondContact O-N 3.02Å; K77-V80 PolarHBondContact O-N 2.74Å; V80-L83 PolarHBondContact O-N 3.33Å; V80-K84 PolarHBondContact O-N 3.49Å; V80-Q85 HydrophobicContact CG1-CB 3.96Å; V80-Q85 PolarHBondContact O-N 3.03Å; V80-T89 VanDerWaalsContact CG1-OG1 3.31Å; V80-T89 WeakPolarHBondContact CG1-OG1 3.47Å; V80-F348 HydrophobicContact CB-CZ 3.92Å; V80-F348 HydrophobicContact CG1-CE1 3.86Å; V80-F348 HydrophobicContact CG1-CZ 3.52Å
81V97Very high96.8Very high44 Ų4449.7 Ų49.727%0.26724%0.236SC..Hα-helixtrans-62.3-48.3176.2173.20000111.1K77 Q78 K79 L83 K84 I86 C344 E347 F348K77-V81 WeakPolarHBondContact O-CG2 3.32Å; K77-V81 PolarHBondContact O-N 3.28Å; Q78-V81 PolarHBondContact O-N 3.36Å; K79-V81 PolarHBondContact O-N 2.83Å; V81-L83 VanDerWaalsContact C-N 3.27Å; V81-L83 PolarHBondContact O-N 2.83Å; V81-K84 PolarHBondContact O-N 3.36Å; V81-I86 HydrophobicContact CB-CD1 4.43Å; V81-I86 HydrophobicContact CG1-CD1 4.39Å; V81-I86 HydrophobicContact CG2-CD1 3.9Å; V81-I86 HydrophobicContact CG2-CG1 3.99Å; V81-C344 HydrophobicContact CG2-CB 4.15Å; V81-E347 HydrophobicContact CG2-CB 4.41Å; V81-E347 HydrophobicContact CG2-CG 4.24Å; V81-F348 HydrophobicContact CG2-CE2 3.86Å; V81-F348 HydrophobicContact CG2-CZ 4.1Å
82K96.5Very high96.8Very high177 Ų17749.3 Ų49.377%0.7723%0.232SC*.Hα-helixtrans-57.8-39-179.7-176.3179.9178.1-177.60112.5Q78 K79 K84Q78-K82 WeakPolarHBondContact O-CB 3.37Å; Q78-K82 PolarHBondContact O-N 2.73Å; K79-K82 PolarHBondContact O-N 2.65Å; K82-K84 VanDerWaalsContact C-N 3.29Å
83L93.7Very high96.8Very high79 Ų7949.5 Ų49.541%0.41423%0.233SC..THydrogen-bonded Turntrans-88.68.7179-61.9-178000113.7F55 K79 V80 V81 Q85F55-L83 HydrophobicContact CB-CD1 4.05Å; F55-L83 HydrophobicContact CD1-CD1 4.15Å; K79-L83 WeakPolarHBondContact O-CG 3.29Å; K79-L83 PolarHBondContact O-N 3.2Å; V80-L83 PolarHBondContact O-N 3.33Å; V81-L83 VanDerWaalsContact C-N 3.27Å; V81-L83 PolarHBondContact O-N 2.83Å; L83-Q85 VanDerWaalsContact C-N 3.26Å; L83-Q85 HydrophobicContact CB-CG 4Å; L83-Q85 WeakPolarHBondContact O-CG 3.38Å; L83-Q85 PolarHBondContact O-N 2.75Å; L83-Q85 PolarHBondContact O-NE2 3.18Å
84K94.8Very high96.8Very high183 Ų18352 Ų5280%0.79624%0.242SC*.THydrogen-bonded Turntrans56.736.2179.3-54.5-178.8179.3-179.60113.3V80 V81 K82V80-K84 PolarHBondContact O-N 3.49Å; V81-K84 PolarHBondContact O-N 3.36Å; K82-K84 VanDerWaalsContact C-N 3.29Å
85Q95.3Very high96.8Very high38 Ų3851.6 Ų51.618%0.17824%0.24CC..  trans-100.916.7-177.4-61.4-55-58.200113.7F55 V80 L83 H88 T89F55-Q85 HydrophobicContact CD1-CG 4.3Å; F55-Q85 HydrophobicContact CE1-CG 4.09Å; V80-Q85 HydrophobicContact CG1-CB 3.96Å; V80-Q85 PolarHBondContact O-N 3.03Å; L83-Q85 VanDerWaalsContact C-N 3.26Å; L83-Q85 HydrophobicContact CB-CG 4Å; L83-Q85 WeakPolarHBondContact O-CG 3.38Å; L83-Q85 PolarHBondContact O-N 2.75Å; L83-Q85 PolarHBondContact O-NE2 3.18Å; Q85-H88 PolarHBondContact O-N 3.02Å; Q85-H88 PolarHBondContact OE1-ND1 2.86Å; Q85-T89 WeakPolarHBondContact O-CB 3.18Å; Q85-T89 PolarHBondContact O-N 3.32Å; Q85-T89 PolarHBondContact O-OG1 3.18Å
86I96.8Very high96.9Very high47 Ų4751.7 Ų51.724%0.24124%0.24CC..Hα-helixtrans-59.4-55.2-176.5-56.8168.6000110.8V81 H88 T89 L90 E347 F348V81-I86 HydrophobicContact CB-CD1 4.43Å; V81-I86 HydrophobicContact CG1-CD1 4.39Å; V81-I86 HydrophobicContact CG2-CD1 3.9Å; V81-I86 HydrophobicContact CG2-CG1 3.99Å; I86-H88 VanDerWaalsContact C-N 3.33Å; I86-H88 PolarHBondContact O-N 3.32Å; I86-T89 PolarHBondContact O-N 3.49Å; I86-L90 HydrophobicContact CG2-CD1 4.07Å; I86-L90 WeakPolarHBondContact O-CG 3.3Å; I86-L90 PolarHBondContact O-N 3.5Å; I86-E347 HydrophobicContact CD1-CB 4.2Å; I86-E347 HydrophobicContact CD1-CG 4.04Å; I86-E347 HydrophobicContact CG2-CB 4.39Å; I86-F348 HydrophobicContact CB-CE1 4.47Å; I86-F348 HydrophobicContact CG1-CZ 4.2Å; I86-F348 HydrophobicContact CG2-CE1 4.03Å; I86-F348 HydrophobicContact CG2-CZ 4.46Å
87E96.1Very high96.9Very high100 Ų10050.9 Ų50.947%0.46724%0.235SC..Hα-helixtrans-60.4-43.2-179-168.4-163.4145.600111.5T89 L90 N91 K190E87-T89 PolarHBondContact O-N 2.94Å; E87-L90 PolarHBondContact O-N 3.09Å; E87-N91 VanDerWaalsContact O-CB 3.28Å; E87-N91 WeakPolarHBondContact O-CB 3.39Å; E87-N91 PolarHBondContact O-N 3.06Å; E87-N91 PolarHBondContact O-ND2 3.1Å; E87-K190 IonicContact OE1-NZ 3.72Å; E87-K190 PolarHBondContact OE1-NZ 3.44Å
88H94.9Very high96.9Very high17 Ų1750.9 Ų50.98%0.07924%0.236CC..Hα-helixtrans-60.8-42.5177.3-73.1168.4000112.3Q85 I86 N91 E92 G187 F188Q85-H88 PolarHBondContact O-N 3.02Å; Q85-H88 PolarHBondContact OE1-ND1 2.86Å; I86-H88 VanDerWaalsContact C-N 3.33Å; I86-H88 PolarHBondContact O-N 3.32Å; H88-N91 PolarHBondContact O-N 3.21Å; H88-E92 WeakPolarHBondContact O-CB 3.22Å; H88-E92 PolarHBondContact O-N 2.66Å; H88-G187 VanDerWaalsContact CB-O 3.26Å; H88-G187 WeakPolarHBondContact CB-O 3.36Å; H88-F188 AromaticContact ND1-CD1 3.93Å
89T97.1Very high97Very high1 Ų146.5 Ų46.51%0.00622%0.216CC..Hα-helixtrans-68-42.2179.2-56.20000112.1L75 V80 Q85 I86 E87 E92 K93 L117 F351L75-T89 HydrophobicContact CD1-CG2 3.54Å; V80-T89 VanDerWaalsContact CG1-OG1 3.31Å; V80-T89 WeakPolarHBondContact CG1-OG1 3.47Å; Q85-T89 WeakPolarHBondContact O-CB 3.18Å; Q85-T89 PolarHBondContact O-N 3.32Å; Q85-T89 PolarHBondContact O-OG1 3.18Å; I86-T89 PolarHBondContact O-N 3.49Å; E87-T89 PolarHBondContact O-N 2.94Å; T89-E92 PolarHBondContact O-N 3.33Å; T89-K93 PolarHBondContact O-N 3.47Å; T89-L117 HydrophobicContact CG2-CD1 3.54Å; T89-F351 HydrophobicContact CG2-CD2 4.29Å; T89-F351 HydrophobicContact CG2-CE2 3.97Å
90L98Very high97Very high38 Ų3845 Ų4520%0.19922%0.219CC..Hα-helixtrans-65.7-41.7175.7-67.1174000111.2I86 E87 R94 F348 F351I86-L90 HydrophobicContact CG2-CD1 4.07Å; I86-L90 WeakPolarHBondContact O-CG 3.3Å; I86-L90 PolarHBondContact O-N 3.5Å; E87-L90 PolarHBondContact O-N 3.09Å; L90-R94 WeakPolarHBondContact O-CB 3.4Å; L90-R94 PolarHBondContact O-N 3.4Å; L90-F348 HydrophobicContact CD2-CD1 4.3Å; L90-F351 HydrophobicContact CD2-CB 3.91Å; L90-F351 HydrophobicContact CD2-CD2 4.27Å
91N97Very high97.1Very high26 Ų2645.9 Ų45.914%0.13922%0.223CC..Hα-helixtrans-62.5-47.3175.3-76.3-24.8000111.5E87 H88 K93 R94 I95E87-N91 VanDerWaalsContact O-CB 3.28Å; E87-N91 WeakPolarHBondContact O-CB 3.39Å; E87-N91 PolarHBondContact O-N 3.06Å; E87-N91 PolarHBondContact O-ND2 3.1Å; H88-N91 PolarHBondContact O-N 3.21Å; N91-K93 PolarHBondContact O-N 2.91Å; N91-R94 PolarHBondContact O-N 3.41Å; N91-I95 HydrophobicContact CB-CD1 4.27Å; N91-I95 VanDerWaalsContact O-CB 3.3Å; N91-I95 WeakPolarHBondContact O-CB 3.48Å; N91-I95 WeakPolarHBondContact O-CD1 3.45Å; N91-I95 WeakPolarHBondContact O-CG1 3.49Å; N91-I95 PolarHBondContact O-N 3.34Å
92E97.8Very high97.1Very high1 Ų145.7 Ų45.71%0.00522%0.223CC..Hα-helixtrans-52.5-56.9179.3175.7166.9-152.500110.8K73 H88 T89 R94 I95 L96 M119 F186 G187K73-E92 IonicContact NZ-OE1 3.17Å; K73-E92 PolarHBondContact NZ-OE1 2.95Å; K73-E92 IonicContact NZ-OE2 3.25Å; K73-E92 PolarHBondContact NZ-OE2 2.97Å; H88-E92 WeakPolarHBondContact O-CB 3.22Å; H88-E92 PolarHBondContact O-N 2.66Å; T89-E92 PolarHBondContact O-N 3.33Å; E92-R94 PolarHBondContact O-N 2.96Å; E92-I95 PolarHBondContact O-N 2.99Å; E92-L96 HydrophobicContact CG-CD1 3.81Å; E92-L96 VanDerWaalsContact O-CB 3.3Å; E92-L96 WeakPolarHBondContact O-CB 3.08Å; E92-L96 WeakPolarHBondContact O-CG 3.06Å; E92-L96 PolarHBondContact O-N 2.84Å; E92-M119 HydrophobicContact CG-CE 4.15Å; E92-M119 HydrophobicContact CG-SD 3.97Å; E92-F186 HydrophobicContact CG-CB 3.92Å; E92-F186 PolarHBondContact OE1-N 3.38Å; E92-F186 VanDerWaalsContact OE1-N 3.15Å; E92-G187 PolarHBondContact OE1-N 3.48Å
93K98.4Very high97.2Very high4 Ų437.3 Ų37.32%0.01719%0.186CC..Hα-helixtrans-61.9-44-179.5-177.1-95.8172.1159.40111.8S35 T89 N91 Q97 L107 S110 M119 F351S35-K93 PolarHBondContact O-NZ 2.95Å; T89-K93 PolarHBondContact O-N 3.47Å; N91-K93 PolarHBondContact O-N 2.91Å; K93-Q97 WeakPolarHBondContact O-CG 3.46Å; K93-Q97 PolarHBondContact O-N 3.11Å; K93-L107 HydrophobicContact CG-CD2 4.31Å; K93-S110 WeakPolarHBondContact CE-OG 3.41Å; K93-M119 HydrophobicContact CB-CG 4.39Å; K93-M119 HydrophobicContact CB-SD 3.77Å; K93-M119 HydrophobicContact CG-CG 4.32Å; K93-M119 HydrophobicContact CG-SD 4.31Å; K93-F351 HydrophobicContact CB-CD2 4.24Å; K93-F351 HydrophobicContact CB-CE2 3.7Å; K93-F351 HydrophobicContact CB-CZ 4.11Å; K93-F351 WeakPolarHBondContact CD-OXT 3.17Å; K93-F351 VanDerWaalsContact CE-OXT 3.3Å; K93-F351 WeakPolarHBondContact CE-OXT 3.43Å; K93-F351 HydrophobicContact CG-CD2 4.44Å; K93-F351 HydrophobicContact CG-CE1 4.4Å; K93-F351 HydrophobicContact CG-CE2 3.96Å; K93-F351 HydrophobicContact CG-CZ 3.94Å; K93-F351 PolarHBondContact NZ-OXT 2.98Å
94R98.4Very high97.5Very high73 Ų7333.7 Ų33.728%0.27517%0.168SC..Hα-helixtrans-68.1-37.1-176.3-167.6179.4-178.4161.73.4112.5W31 L90 N91 E92 Q97 A98W31-R94 HydrophobicContact CD2-CG 4.33Å; W31-R94 HydrophobicContact CE3-CG 3.73Å; W31-R94 HydrophobicContact CH2-CB 4.43Å; W31-R94 HydrophobicContact CH2-CG 4.02Å; W31-R94 HydrophobicContact CZ3-CB 3.96Å; W31-R94 HydrophobicContact CZ3-CG 3.54Å; W31-R94 PolarHBondContact O-NE 3.09Å; W31-R94 PolarHBondContact O-NH2 3.33Å; L90-R94 WeakPolarHBondContact O-CB 3.4Å; L90-R94 PolarHBondContact O-N 3.4Å; N91-R94 PolarHBondContact O-N 3.41Å; E92-R94 PolarHBondContact O-N 2.96Å; R94-Q97 WeakPolarHBondContact O-CG 3.14Å; R94-A98 WeakPolarHBondContact O-CB 3.46Å
95I98.4Very high97.6Very high0 Ų025.2 Ų25.20%013%0.131CC..Hα-helixtrans-71.3-51176.3-65.8167.3000109.6W31 N91 E92 Q97 A98 V99 L163 F186 A189W31-I95 HydrophobicContact CH2-CG1 4.29Å; W31-I95 HydrophobicContact CZ3-CG1 3.63Å; N91-I95 HydrophobicContact CB-CD1 4.27Å; N91-I95 VanDerWaalsContact O-CB 3.3Å; N91-I95 WeakPolarHBondContact O-CB 3.48Å; N91-I95 WeakPolarHBondContact O-CD1 3.45Å; N91-I95 WeakPolarHBondContact O-CG1 3.49Å; N91-I95 PolarHBondContact O-N 3.34Å; E92-I95 PolarHBondContact O-N 2.99Å; I95-Q97 VanDerWaalsContact C-N 3.34Å; I95-Q97 PolarHBondContact O-N 2.91Å; I95-A98 PolarHBondContact O-N 2.68Å; I95-V99 HydrophobicContact CG2-CG1 3.93Å; I95-V99 PolarHBondContact O-N 2.74Å; I95-L163 HydrophobicContact CD1-CD2 3.98Å; I95-L163 HydrophobicContact CG1-CD2 3.95Å; I95-L163 HydrophobicContact CG2-CD1 3.84Å; I95-L163 HydrophobicContact CG2-CD2 4.11Å; I95-F186 HydrophobicContact CG2-CD1 3.7Å; I95-F186 HydrophobicContact CG2-CE1 4.03Å; I95-A189 VanDerWaalsContact CD1-C 3.45Å; I95-A189 HydrophobicContact CD1-CB 3.69Å; I95-A189 WeakPolarHBondContact CD1-O 3.48Å; I95-A189 HydrophobicContact CG2-CB 4.49Å
96L97.9Very high97.7Very high2 Ų229.4 Ų29.41%0.0115%0.145CC..Hα-helixtrans-58.3-41.3-174.9-84174.4000113.4E92 A98 V105 L107 F186E92-L96 HydrophobicContact CG-CD1 3.81Å; E92-L96 VanDerWaalsContact O-CB 3.3Å; E92-L96 WeakPolarHBondContact O-CB 3.08Å; E92-L96 WeakPolarHBondContact O-CG 3.06Å; E92-L96 PolarHBondContact O-N 2.84Å; L96-A98 PolarHBondContact O-N 2.79Å; L96-V105 HydrophobicContact CD2-CG1 4.36Å; L96-L107 HydrophobicContact CB-CB 4Å; L96-L107 HydrophobicContact CB-CD2 3.94Å; L96-F186 HydrophobicContact CD1-CB 4.04Å; L96-F186 HydrophobicContact CD1-CG 4.47Å; L96-F186 HydrophobicContact CD2-CB 4.07Å; L96-F186 HydrophobicContact CD2-CD1 4.09Å; L96-F186 HydrophobicContact CD2-CD2 3.4Å; L96-F186 VanDerWaalsContact CD2-CD2 3.4Å; L96-F186 HydrophobicContact CD2-CE1 4.38Å; L96-F186 HydrophobicContact CD2-CE2 3.74Å; L96-F186 HydrophobicContact CD2-CG 3.59Å; L96-F186 HydrophobicContact CD2-CZ 4.22Å; L96-F186 HydrophobicContact CG-CB 3.75Å; L96-F186 HydrophobicContact CG-CD1 4.32Å; L96-F186 HydrophobicContact CG-CD2 4.09Å; L96-F186 HydrophobicContact CG-CG 3.81Å
97Q98Very high97.8Very high22 Ų2228.4 Ų28.410%0.10314%0.14CC..THydrogen-bonded Turntrans-69-21.1176.867.4178.8-28.400113.5K30 S35 K93 R94 I95 L107K30-Q97 WeakPolarHBondContact CD-O 3.39Å; S35-Q97 PolarHBondContact O-OE1 2.8Å; S35-Q97 VanDerWaalsContact O-OE1 3.09Å; S35-Q97 PolarHBondContact OG-OE1 3.49Å; K93-Q97 WeakPolarHBondContact O-CG 3.46Å; K93-Q97 PolarHBondContact O-N 3.11Å; R94-Q97 WeakPolarHBondContact O-CG 3.14Å; I95-Q97 VanDerWaalsContact C-N 3.34Å; I95-Q97 PolarHBondContact O-N 2.91Å; Q97-L107 HydrophobicContact CB-CD2 3.99Å
98A98.3Very high97.9Very high2 Ų227 Ų272%0.01713%0.133CC..THydrogen-bonded Turntrans-96.9-24.9-17300000113F27 K30 W31 R94 I95 L96F27-A98 HydrophobicContact CD2-CB 3.6Å; F27-A98 HydrophobicContact CE2-CB 3.64Å; K30-A98 HydrophobicContact CB-CB 3.85Å; W31-A98 HydrophobicContact CB-CB 4.38Å; R94-A98 WeakPolarHBondContact O-CB 3.46Å; I95-A98 PolarHBondContact O-N 2.68Å; L96-A98 PolarHBondContact O-N 2.79Å
99V98.4Very high98.1Very high14 Ų1428.8 Ų28.89%0.08514%0.14CC..  trans-82153.3177.4-63.30000112F27 I95 L104 Y157 L158 L161 L163 F186F27-V99 HydrophobicContact CD2-CG1 4.16Å; F27-V99 HydrophobicContact CE2-CG1 4.19Å; I95-V99 HydrophobicContact CG2-CG1 3.93Å; I95-V99 PolarHBondContact O-N 2.74Å; V99-L104 HydrophobicContact CB-CD1 4.06Å; V99-L104 HydrophobicContact CG2-CD1 3.98Å; V99-Y157 HydrophobicContact CB-CE1 4.08Å; V99-Y157 HydrophobicContact CG1-CE1 4.24Å; V99-L158 HydrophobicContact CG1-CD2 4.12Å; V99-L161 HydrophobicContact CG1-CD1 4.31Å; V99-L163 HydrophobicContact CG1-CD1 3.63Å; V99-F186 HydrophobicContact CG2-CE1 4.49Å
100S97.3Very high98.2Very high77 Ų7728.8 Ų28.854%0.53814%0.14SC..  trans-155.1107.8175.5-172.40000109.1Y157S100-Y157 PolarHBondContact N-OH 3.01Å; S100-Y157 WeakPolarHBondContact O-CE2 3.48Å; S100-Y157 PolarHBondContact O-OH 3.17Å
101F98.4Very high98.2Very high19 Ų1927.3 Ų27.38%0.08313%0.132CC..  trans-153.3148-178.9-161.5-110.7000110.5F19 F103 L104 L153 Y157 Y307F19-F101 HydrophobicContact CE1-CE2 4.23Å; F19-F101 HydrophobicContact CZ-CE2 4.35Å; F101-F103 HydrophobicContact CD1-CD2 4.14Å; F101-F103 AromaticContact CE1-CD2 3.65Å; F101-F103 HydrophobicContact CE1-CD2 3.65Å; F101-F103 HydrophobicContact CE1-CE2 4.11Å; F101-F103 PolarHBondContact O-N 2.96Å; F101-L104 HydrophobicContact CB-CB 4.38Å; F101-L104 HydrophobicContact CB-CD1 3.77Å; F101-L104 HydrophobicContact CB-CG 3.9Å; F101-L104 PolarHBondContact O-N 3.29Å; F101-L104 VanDerWaalsContact O-N 3.13Å; F101-L153 HydrophobicContact CE1-CB 4.09Å; F101-L153 HydrophobicContact CZ-CB 3.98Å; F101-L153 WeakPolarHBondContact CZ-O 3.48Å; F101-Y157 HydrophobicContact CB-CD1 3.87Å; F101-Y157 HydrophobicContact CB-CD2 4.4Å; F101-Y157 HydrophobicContact CB-CE1 3.91Å; F101-Y157 HydrophobicContact CB-CE2 4.39Å; F101-Y157 HydrophobicContact CB-CG 4.14Å; F101-Y157 HydrophobicContact CD2-CD1 4.08Å; F101-Y157 AromaticContact CD2-CD2 3.41Å; F101-Y157 HydrophobicContact CD2-CD2 3.41Å; F101-Y157 VanDerWaalsContact CD2-CD2 3.41Å; F101-Y157 AromaticContact CD2-CE2 3.98Å; F101-Y157 HydrophobicContact CD2-CE2 3.98Å; F101-Y157 AromaticContact CD2-CG 3.47Å; F101-Y157 HydrophobicContact CD2-CG 3.47Å; F101-Y157 VanDerWaalsContact CD2-CG 3.47Å; F101-Y157 AromaticContact CE2-CD2 3.93Å; F101-Y157 HydrophobicContact CE2-CD2 3.93Å; F101-Y157 AromaticContact CE2-CG 3.95Å; F101-Y157 HydrophobicContact CE2-CG 3.95Å; F101-Y157 AromaticContact CG-CD1 3.96Å; F101-Y157 HydrophobicContact CG-CD1 3.96Å; F101-Y157 HydrophobicContact CG-CD2 4.13Å; F101-Y157 HydrophobicContact CG-CE1 4.45Å; F101-Y157 AromaticContact CG-CG 3.8Å; F101-Y157 HydrophobicContact CG-CG 3.8Å; F101-Y307 HydrophobicContact CD2-CE2 4.23Å; F101-Y307 AromaticContact CE2-CD2 3.98Å; F101-Y307 HydrophobicContact CE2-CD2 3.98Å; F101-Y307 AromaticContact CE2-CE2 3.58Å; F101-Y307 HydrophobicContact CE2-CE2 3.58Å; F101-Y307 AromaticContact CZ-CD2 3.89Å; F101-Y307 HydrophobicContact CZ-CD2 3.89Å; F101-Y307 AromaticContact CZ-CE2 3.98Å; F101-Y307 HydrophobicContact CZ-CE2 3.98Å
102P98.3Very high98.3Very high40 Ų4028.3 Ų28.326%0.2614%0.135SC..THydrogen-bonded Turntrans-61.7-17.2-170.9-2736.2000117Q182 Y307 K309P102-Q182 PolarHBondContact O-NE2 2.89Å; P102-Y307 HydrophobicContact CG-CD2 3.97Å; P102-Y307 HydrophobicContact CG-CE2 3.54Å; P102-K309 VanDerWaalsContact O-CE 3.3Å; P102-K309 WeakPolarHBondContact O-CE 3.48Å; P102-K309 PolarHBondContact O-NZ 3.4Å
103F98.8Very high98.3Very high0 Ų029.8 Ų29.80%014%0.143CC..THydrogen-bonded Turntrans-11717.4-177.2-43.9-49.8000112.6F101 Q150 L153 Y180 I181 V183 I306 K309F101-F103 HydrophobicContact CD1-CD2 4.14Å; F101-F103 AromaticContact CE1-CD2 3.65Å; F101-F103 HydrophobicContact CE1-CD2 3.65Å; F101-F103 HydrophobicContact CE1-CE2 4.11Å; F101-F103 PolarHBondContact O-N 2.96Å; F103-Q150 HydrophobicContact CD1-CB 4.41Å; F103-Q150 HydrophobicContact CD1-CG 4.24Å; F103-Q150 HydrophobicContact CD2-CB 3.81Å; F103-Q150 HydrophobicContact CD2-CG 4.2Å; F103-Q150 HydrophobicContact CE1-CG 4.02Å; F103-Q150 HydrophobicContact CE2-CB 4Å; F103-Q150 HydrophobicContact CE2-CG 3.98Å; F103-Q150 HydrophobicContact CG-CB 4.05Å; F103-Q150 HydrophobicContact CG-CG 4.36Å; F103-Q150 HydrophobicContact CZ-CB 4.39Å; F103-Q150 HydrophobicContact CZ-CG 3.89Å; F103-L153 HydrophobicContact CE2-CB 4.24Å; F103-L153 HydrophobicContact CE2-CD1 3.98Å; F103-Y180 HydrophobicContact CD1-CD1 4.23Å; F103-Y180 AromaticContact CE1-CD1 3.56Å; F103-Y180 HydrophobicContact CE1-CD1 3.56Å; F103-Y180 HydrophobicContact CE1-CE1 4.07Å; F103-Y180 HydrophobicContact CZ-CD1 4.38Å; F103-I181 VanDerWaalsContact CA-O 3.26Å; F103-I181 WeakPolarHBondContact CA-O 3.28Å; F103-I181 WeakPolarHBondContact CB-O 3.48Å; F103-V183 WeakPolarHBondContact O-CG2 3.29Å; F103-V183 PolarHBondContact O-N 3.02Å; F103-I306 HydrophobicContact CE2-CG2 4.35Å; F103-I306 HydrophobicContact CZ-CG2 4.01Å; F103-I306 WeakPolarHBondContact CZ-O 3.26Å; F103-K309 HydrophobicContact CE1-CG 4.12Å
104L98.8Very high98.3Very high4 Ų432 Ų322%0.02116%0.155CC..BIsolated β-bridgetrans-113.4132.4173.8-65.5-176.9000108.7V99 F101 R106 T154 Y157 L158 Q182 V183 F186V99-L104 HydrophobicContact CB-CD1 4.06Å; V99-L104 HydrophobicContact CG2-CD1 3.98Å; F101-L104 HydrophobicContact CB-CB 4.38Å; F101-L104 HydrophobicContact CB-CD1 3.77Å; F101-L104 HydrophobicContact CB-CG 3.9Å; F101-L104 PolarHBondContact O-N 3.29Å; F101-L104 VanDerWaalsContact O-N 3.13Å; L104-R106 PolarHBondContact O-N 3.27Å; L104-T154 HydrophobicContact CD2-CG2 3.41Å; L104-T154 VanDerWaalsContact CD2-CG2 3.41Å; L104-T154 HydrophobicContact CG-CG2 4.16Å; L104-Y157 HydrophobicContact CD1-CD1 4.13Å; L104-Y157 HydrophobicContact CD1-CE1 3.94Å; L104-L158 HydrophobicContact CD1-CD2 3.98Å; L104-Q182 PolarHBondContact O-OE1 3.26Å; L104-V183 HydrophobicContact CD2-CB 3.71Å; L104-V183 HydrophobicContact CD2-CG1 4.32Å; L104-V183 HydrophobicContact CD2-CG2 4.17Å; L104-F186 HydrophobicContact CD1-CZ 4.14Å; L104-F186 HydrophobicContact CD2-CE2 4.15Å; L104-F186 HydrophobicContact CD2-CZ 3.63Å; L104-F186 HydrophobicContact CG-CZ 4.36Å
105V98.1Very high98.2Very high4 Ų429.2 Ų29.22%0.02415%0.146CC..  trans-58.5132173.274.90000109.9L96 M121 E122 V124 V183L96-V105 HydrophobicContact CD2-CG1 4.36Å; V105-M121 HydrophobicContact CG1-SD 4.2Å; V105-M121 HydrophobicContact CG2-CB 3.94Å; V105-E122 HydrophobicContact CG2-CG 3.67Å; V105-V124 HydrophobicContact CG2-CG2 4.44Å; V105-V183 WeakPolarHBondContact CG1-O 3.34Å; V105-V183 PolarHBondContact N-O 3.27Å
106R97.6Very high98.2Very high127 Ų12729.6 Ų29.648%0.47915%0.148SC..  trans-80.7134.7175.6-66.4-163.4-55.2-79.7-16.3111.6L104 E108 M121 E122L104-R106 PolarHBondContact O-N 3.27Å; R106-E108 IonicContact CZ-OE1 2.83Å; R106-E108 IonicContact NE-OE1 3.25Å; R106-E108 PolarHBondContact NE-OE1 3.18Å; R106-E108 IonicContact NH2-OE1 3.88Å; R106-E108 PolarHBondContact NH2-OE1 2.98Å; R106-M121 CarbonylContact O-C 3.58Å; R106-M121 WeakPolarHBondContact O-CA 3.46Å; R106-E122 HydrophobicContact CB-CG 4.45Å; R106-E122 IonicContact CZ-OE2 3.84Å; R106-E122 VanDerWaalsContact CZ-OE2 3.25Å; R106-E122 PolarHBondContact N-OE1 3.29Å; R106-E122 IonicContact NH1-OE1 3.7Å; R106-E122 IonicContact NH1-OE2 3.47Å; R106-E122 PolarHBondContact NH1-OE2 2.65Å; R106-E122 IonicContact NH2-OE2 2.94Å; R106-E122 PolarHBondContact NH2-OE2 2.8Å; R106-E122 PolarHBondContact O-N 2.85Å
107L98.5Very high98.3Very high25 Ų2529.5 Ų29.513%0.13115%0.147CC..EExtended strand (participates in β ladder)trans-86.1114.3163.6-179.964.6000108.9K93 L96 Q97 Y109 M119 M121K93-L107 HydrophobicContact CG-CD2 4.31Å; L96-L107 HydrophobicContact CB-CB 4Å; L96-L107 HydrophobicContact CB-CD2 3.94Å; Q97-L107 HydrophobicContact CB-CD2 3.99Å; L107-Y109 WeakPolarHBondContact CD1-O 3.17Å; L107-M119 HydrophobicContact CD1-CB 3.7Å; L107-M119 HydrophobicContact CD1-CG 4.16Å; L107-M121 HydrophobicContact CD1-CG 4.14Å
108E98.2Very high98.3Very high70 Ų7028.4 Ų28.433%0.32714%0.143SC..EExtended strand (participates in β ladder)trans-94.4-40.6-176-61.1-71.917200110.6Y70 R106 V120Y70-E108 HydrophobicContact CD1-CB 4.31Å; Y70-E108 HydrophobicContact CD1-CG 4.22Å; Y70-E108 HydrophobicContact CE1-CB 3.96Å; Y70-E108 HydrophobicContact CE1-CG 3.88Å; R106-E108 IonicContact CZ-OE1 2.83Å; R106-E108 IonicContact NE-OE1 3.25Å; R106-E108 PolarHBondContact NE-OE1 3.18Å; R106-E108 IonicContact NH2-OE1 3.88Å; R106-E108 PolarHBondContact NH2-OE1 2.98Å; E108-V120 PolarHBondContact N-O 2.94Å
109Y98.6Very high98.3Very high55 Ų5528.3 Ų28.322%0.21614%0.142CC..EExtended strand (participates in β ladder)trans-138.8153.8176.6-44.8-88.3000113.2T38 A39 F44 Y70 L107 V120T38-Y109 VanDerWaalsContact OG1-CA 3.28Å; T38-Y109 WeakPolarHBondContact OG1-CA 3.23Å; A39-Y109 HydrophobicContact CB-CD1 3.81Å; A39-Y109 HydrophobicContact CB-CG 3.88Å; F44-Y109 HydrophobicContact CE1-CD2 4.43Å; F44-Y109 AromaticContact CZ-CD2 3.9Å; F44-Y109 HydrophobicContact CZ-CD2 3.9Å; F44-Y109 HydrophobicContact CZ-CE2 4.27Å; F44-Y109 HydrophobicContact CZ-CG 4.35Å; Y70-Y109 AromaticContact CE1-CE2 3.97Å; Y70-Y109 HydrophobicContact CE1-CE2 3.97Å; Y70-Y109 HydrophobicContact CE2-CE2 4.35Å; Y70-Y109 AromaticContact CZ-CE2 3.8Å; L107-Y109 WeakPolarHBondContact CD1-O 3.17Å; Y109-V120 HydrophobicContact CD2-CB 3.97Å; Y109-V120 HydrophobicContact CD2-CG1 3.85Å; Y109-V120 HydrophobicContact CG-CB 4.44Å; Y109-V120 PolarHBondContact N-O 3.35Å; Y109-V120 VanDerWaalsContact N-O 3.09Å; Y109-V120 PolarHBondContact O-N 2.96Å
110S98.6Very high98.3Very high1 Ų127.7 Ų27.71%0.00714%0.138CC..EExtended strand (participates in β ladder)trans-147.4140.216960.20000111.4N37 T38 K93 Y118N37-S110 WeakPolarHBondContact CA-O 3.47Å; N37-S110 PolarHBondContact N-O 3.05Å; T38-S110 PolarHBondContact N-O 3.21Å; T38-S110 PolarHBondContact OG1-N 3.12Å; T38-S110 PolarHBondContact OG1-O 2.96Å; K93-S110 WeakPolarHBondContact CE-OG 3.41Å; S110-Y118 VanDerWaalsContact CA-O 3.28Å; S110-Y118 WeakPolarHBondContact CA-O 3.46Å
111F98.7Very high98.4Very high7 Ų724.2 Ų24.23%0.03111%0.113CC..EExtended strand (participates in β ladder)trans-160172.1179.957.9-87.8000110.4A39 L41 F44 M72 Y118 V120 F351A39-F111 HydrophobicContact CB-CD1 3.82Å; A39-F111 HydrophobicContact CB-CE1 4Å; A39-F111 WeakPolarHBondContact O-CB 3.07Å; A39-F111 VanDerWaalsContact O-CG 3.31Å; A39-F111 WeakPolarHBondContact O-CG 3.45Å; L41-F111 HydrophobicContact CB-CE2 3.94Å; L41-F111 HydrophobicContact CB-CZ 4.36Å; L41-F111 HydrophobicContact CD1-CZ 4.47Å; F44-F111 HydrophobicContact CD2-CE1 4.49Å; F44-F111 HydrophobicContact CD2-CZ 4.47Å; F44-F111 AromaticContact CE2-CE1 3.98Å; F44-F111 HydrophobicContact CE2-CE1 3.98Å; F44-F111 HydrophobicContact CE2-CZ 4.39Å; M72-F111 HydrophobicContact CE-CE1 4.34Å; M72-F111 HydrophobicContact CE-CZ 3.93Å; F111-Y118 AromaticContact CD2-CD2 3.39Å; F111-Y118 HydrophobicContact CD2-CD2 3.39Å; F111-Y118 HydrophobicContact CD2-CE2 4.12Å; F111-Y118 AromaticContact CD2-CG 3.81Å; F111-Y118 HydrophobicContact CD2-CG 3.81Å; F111-Y118 HydrophobicContact CE1-CG 4.42Å; F111-Y118 AromaticContact CE2-CD1 3.97Å; F111-Y118 HydrophobicContact CE2-CD1 3.97Å; F111-Y118 AromaticContact CE2-CD2 3.22Å; F111-Y118 HydrophobicContact CE2-CD2 3.22Å; F111-Y118 HydrophobicContact CE2-CE1 4.47Å; F111-Y118 AromaticContact CE2-CE2 3.79Å; F111-Y118 HydrophobicContact CE2-CE2 3.79Å; F111-Y118 AromaticContact CE2-CG 3.31Å; F111-Y118 HydrophobicContact CE2-CG 3.31Å; F111-Y118 HydrophobicContact CG-CD2 4.34Å; F111-Y118 HydrophobicContact CZ-CD1 4.12Å; F111-Y118 HydrophobicContact CZ-CD2 4.07Å; F111-Y118 AromaticContact CZ-CG 3.66Å; F111-Y118 HydrophobicContact CZ-CG 3.66Å; F111-Y118 PolarHBondContact N-O 3.44Å; F111-Y118 VanDerWaalsContact N-O 3.15Å; F111-Y118 PolarHBondContact O-N 3.42Å; F111-V120 HydrophobicContact CE1-CG2 3.83Å; F111-F351 WeakPolarHBondContact O-CE1 3.3Å
112K98.4Very high98.3Very high48 Ų4825.1 Ų25.121%0.20912%0.118CC..EExtended strand (participates in β ladder)trans-140.7153.9177.263.7-162.9175.1-150.90110.3N116 L117 F348 A349 F351K112-N116 WeakPolarHBondContact CA-O 3.38Å; K112-L117 HydrophobicContact CB-CD2 3.67Å; K112-L117 HydrophobicContact CD-CD2 4.35Å; K112-F348 PolarHBondContact NZ-O 3.32Å; K112-A349 PolarHBondContact NZ-O 3.42Å; K112-F351 HydrophobicContact CB-CD1 4.27Å; K112-F351 HydrophobicContact CD-CB 4.15Å; K112-F351 HydrophobicContact CD-CD1 4.33Å; K112-F351 PolarHBondContact NZ-O 3.35Å
113D97.9Very high98.3Very high32 Ų3224.3 Ų24.317%0.17111%0.109CC..  trans-124.5-165.1171.268.427.7000110.4K77 T115 N116 Y118 V338K77-D113 WeakPolarHBondContact CE-O 3.44Å; K77-D113 PolarHBondContact NZ-O 3.04Å; D113-T115 PolarHBondContact O-N 3.19Å; D113-T115 WeakPolarHBondContact OD1-CA 3.49Å; D113-T115 PolarHBondContact OD1-N 2.8Å; D113-N116 PolarHBondContact N-O 2.64Å; D113-N116 PolarHBondContact OD1-N 3.37Å; D113-Y118 HydrophobicContact CB-CE2 4.21Å; D113-Y118 WeakPolarHBondContact OD2-CE2 3.45Å; D113-Y118 VanDerWaalsContact OD2-CZ 3.23Å; D113-Y118 PolarHBondContact OD2-OH 3.18Å; D113-V338 HydrophobicContact CB-CG1 4.14Å; D113-V338 VanDerWaalsContact OD2-CG2 3.22Å; D113-V338 WeakPolarHBondContact OD2-CG2 3.38Å
114N98.2Very high98.3Very high51 Ų5124.5 Ų24.527%0.27311%0.111SC..SBendtrans-58.6-28.5179.3-77.8-15.4000114.4K77 V338 S339 F340 E342 K343K77-N114 VanDerWaalsContact CE-O 3.28Å; K77-N114 WeakPolarHBondContact CE-O 3.35Å; K77-N114 PolarHBondContact NZ-O 3.32Å; N114-V338 HydrophobicContact CB-CG1 4.2Å; N114-S339 WeakPolarHBondContact CB-O 3.36Å; N114-S339 PolarHBondContact ND2-O 2.9Å; N114-F340 PolarHBondContact ND2-O 2.83Å; N114-E342 WeakPolarHBondContact OD1-CA 3.39Å; N114-K343 WeakPolarHBondContact O-CB 3.35Å; N114-K343 WeakPolarHBondContact O-CG 3.49Å; N114-K343 PolarHBondContact O-N 3.46Å
115T97.8Very high98.2Very high13 Ų1324.4 Ų24.48%0.0811%0.111CC..SBendtrans-117.3-35.7-172-62.50000113.7K77 D113 S339K77-T115 VanDerWaalsContact CB-O 3.32Å; K77-T115 WeakPolarHBondContact CB-O 3.25Å; K77-T115 VanDerWaalsContact CE-C 3.47Å; K77-T115 WeakPolarHBondContact CG-O 3.46Å; K77-T115 PolarHBondContact N-O 3.05Å; D113-T115 PolarHBondContact O-N 3.19Å; D113-T115 WeakPolarHBondContact OD1-CA 3.49Å; D113-T115 PolarHBondContact OD1-N 2.8Å; T115-S339 WeakPolarHBondContact OG1-CB 3.43Å; T115-S339 PolarHBondContact OG1-N 3.43Å
116N98.3Very high98.1Very high8 Ų824.2 Ų24.24%0.04311%0.109CC..EExtended strand (participates in β ladder)trans-126.6159.5-164.6-54.8-58.5000112.6I74 L75 K112 D113 Y118 I336 R337I74-N116 HydrophobicContact CG2-CB 4.03Å; L75-N116 CarbonylContact O-C 3.54Å; L75-N116 WeakPolarHBondContact O-CA 3.22Å; K112-N116 WeakPolarHBondContact CA-O 3.38Å; D113-N116 PolarHBondContact N-O 2.64Å; D113-N116 PolarHBondContact OD1-N 3.37Å; N116-Y118 HydrophobicContact CB-CD2 4.45Å; N116-Y118 HydrophobicContact CB-CE1 4.18Å; N116-Y118 HydrophobicContact CB-CE2 3.67Å; N116-Y118 WeakPolarHBondContact CB-OH 3.34Å; N116-Y118 PolarHBondContact ND2-OH 3.07Å; N116-I336 WeakPolarHBondContact ND2-CG2 3.47Å; N116-R337 PolarHBondContact ND2-O 3.4Å
117L98.5Very high98.1Very high0 Ų018.2 Ų18.20%09%0.087CC..EExtended strand (participates in β ladder)trans-110.7141167.7-50.8172.1000108.1I74 L75 K77 T89 K112 F348 F351I74-L117 WeakPolarHBondContact CA-O 3.3Å; L75-L117 HydrophobicContact CB-CB 4.28Å; L75-L117 PolarHBondContact N-O 2.51Å; L75-L117 PolarHBondContact O-N 2.75Å; K77-L117 HydrophobicContact CD-CD2 3.86Å; K77-L117 HydrophobicContact CD-CG 4.37Å; K77-L117 HydrophobicContact CG-CD1 4.33Å; K77-L117 HydrophobicContact CG-CD2 3.82Å; K77-L117 HydrophobicContact CG-CG 3.75Å; T89-L117 HydrophobicContact CG2-CD1 3.54Å; K112-L117 HydrophobicContact CB-CD2 3.67Å; K112-L117 HydrophobicContact CD-CD2 4.35Å; L117-F348 HydrophobicContact CD1-CD1 3.55Å; L117-F348 HydrophobicContact CD1-CD2 4.48Å; L117-F348 HydrophobicContact CD1-CE1 3.64Å; L117-F348 HydrophobicContact CD1-CG 4Å; L117-F348 HydrophobicContact CD1-CZ 4.16Å; L117-F348 HydrophobicContact CD2-CB 4.01Å; L117-F348 HydrophobicContact CD2-CD1 4.34Å; L117-F348 HydrophobicContact CD2-CG 4.04Å; L117-F351 HydrophobicContact CB-CD1 4.34Å; L117-F351 HydrophobicContact CB-CD2 4.36Å; L117-F351 HydrophobicContact CB-CE1 3.88Å; L117-F351 HydrophobicContact CB-CE2 3.9Å; L117-F351 HydrophobicContact CB-CZ 3.65Å; L117-F351 HydrophobicContact CD1-CD2 3.85Å; L117-F351 HydrophobicContact CD1-CE2 3.95Å; L117-F351 HydrophobicContact CD1-CG 4.36Å; L117-F351 HydrophobicContact CD2-CB 4.22Å; L117-F351 HydrophobicContact CD2-CD1 3.87Å; L117-F351 HydrophobicContact CD2-CD2 4.14Å; L117-F351 HydrophobicContact CD2-CE1 4.28Å; L117-F351 HydrophobicContact CD2-CG 3.8Å; L117-F351 HydrophobicContact CG-CD2 4.33Å; L117-F351 HydrophobicContact CG-CE2 4.33Å; L117-F351 HydrophobicContact CG-CG 4.46Å; L117-F351 HydrophobicContact CG-CZ 4.46Å
118Y98.6Very high98Very high0 Ų019.1 Ų19.10%09%0.09CC..EExtended strand (participates in β ladder)trans-126.9129.3-174.9-56.5-90.7000110.6L41 M72 K73 I74 S110 F111 D113 N116L41-Y118 HydrophobicContact CD1-CD1 4.24Å; L41-Y118 HydrophobicContact CD1-CE1 3.74Å; L41-Y118 HydrophobicContact CD2-CE1 4.43Å; M72-Y118 HydrophobicContact CG-CD1 4.21Å; M72-Y118 HydrophobicContact SD-CD1 3.72Å; M72-Y118 HydrophobicContact SD-CE1 4.31Å; K73-Y118 WeakPolarHBondContact O-CA 3.04Å; I74-Y118 HydrophobicContact CB-CD1 4.36Å; I74-Y118 HydrophobicContact CB-CE1 4.35Å; I74-Y118 HydrophobicContact CG1-CD1 3.8Å; I74-Y118 HydrophobicContact CG1-CE1 3.89Å; I74-Y118 HydrophobicContact CG2-CD1 4.16Å; I74-Y118 HydrophobicContact CG2-CE1 3.72Å; S110-Y118 VanDerWaalsContact CA-O 3.28Å; S110-Y118 WeakPolarHBondContact CA-O 3.46Å; F111-Y118 AromaticContact CD2-CD2 3.39Å; F111-Y118 HydrophobicContact CD2-CD2 3.39Å; F111-Y118 HydrophobicContact CD2-CE2 4.12Å; F111-Y118 AromaticContact CD2-CG 3.81Å; F111-Y118 HydrophobicContact CD2-CG 3.81Å; F111-Y118 HydrophobicContact CE1-CG 4.42Å; F111-Y118 AromaticContact CE2-CD1 3.97Å; F111-Y118 HydrophobicContact CE2-CD1 3.97Å; F111-Y118 AromaticContact CE2-CD2 3.22Å; F111-Y118 HydrophobicContact CE2-CD2 3.22Å; F111-Y118 HydrophobicContact CE2-CE1 4.47Å; F111-Y118 AromaticContact CE2-CE2 3.79Å; F111-Y118 HydrophobicContact CE2-CE2 3.79Å; F111-Y118 AromaticContact CE2-CG 3.31Å; F111-Y118 HydrophobicContact CE2-CG 3.31Å; F111-Y118 HydrophobicContact CG-CD2 4.34Å; F111-Y118 HydrophobicContact CZ-CD1 4.12Å; F111-Y118 HydrophobicContact CZ-CD2 4.07Å; F111-Y118 AromaticContact CZ-CG 3.66Å; F111-Y118 HydrophobicContact CZ-CG 3.66Å; F111-Y118 PolarHBondContact N-O 3.44Å; F111-Y118 VanDerWaalsContact N-O 3.15Å; F111-Y118 PolarHBondContact O-N 3.42Å; D113-Y118 HydrophobicContact CB-CE2 4.21Å; D113-Y118 WeakPolarHBondContact OD2-CE2 3.45Å; D113-Y118 VanDerWaalsContact OD2-CZ 3.23Å; D113-Y118 PolarHBondContact OD2-OH 3.18Å; N116-Y118 HydrophobicContact CB-CD2 4.45Å; N116-Y118 HydrophobicContact CB-CE1 4.18Å; N116-Y118 HydrophobicContact CB-CE2 3.67Å; N116-Y118 WeakPolarHBondContact CB-OH 3.34Å; N116-Y118 PolarHBondContact ND2-OH 3.07Å
119M98.7Very high98Very high0 Ų015.8 Ų15.80%08%0.075CC..EExtended strand (participates in β ladder)trans-123.8113.6169.6-70.9176.3-76.700108.4M72 K73 L75 E92 K93 L107 F351M72-M119 CarbonylContact C-O 3.46Å; M72-M119 WeakPolarHBondContact CA-O 3.46Å; K73-M119 HydrophobicContact CB-CB 4.33Å; K73-M119 HydrophobicContact CD-CE 3.89Å; K73-M119 HydrophobicContact CG-CE 4.39Å; K73-M119 PolarHBondContact N-O 2.71Å; K73-M119 PolarHBondContact O-N 2.81Å; L75-M119 HydrophobicContact CD1-CE 3.65Å; L75-M119 HydrophobicContact CG-CE 4.41Å; E92-M119 HydrophobicContact CG-CE 4.15Å; E92-M119 HydrophobicContact CG-SD 3.97Å; K93-M119 HydrophobicContact CB-CG 4.39Å; K93-M119 HydrophobicContact CB-SD 3.77Å; K93-M119 HydrophobicContact CG-CG 4.32Å; K93-M119 HydrophobicContact CG-SD 4.31Å; L107-M119 HydrophobicContact CD1-CB 3.7Å; L107-M119 HydrophobicContact CD1-CG 4.16Å; M119-F351 HydrophobicContact CG-CZ 3.92Å; M119-F351 HydrophobicContact SD-CZ 4.49Å
120V98.6Very high98Very high0 Ų016 Ų160%08%0.077CC..EExtended strand (participates in β ladder)trans-100.4107-177.4-173.20000108.2F44 Y70 M72 E108 Y109 F111F44-V120 HydrophobicContact CE1-CG1 3.92Å; F44-V120 HydrophobicContact CE2-CG2 4.27Å; F44-V120 HydrophobicContact CZ-CG1 4.08Å; F44-V120 HydrophobicContact CZ-CG2 4.11Å; Y70-V120 VanDerWaalsContact CB-CG1 3.43Å; Y70-V120 HydrophobicContact CD1-CG1 3.94Å; Y70-V120 HydrophobicContact CD2-CG1 4.31Å; Y70-V120 HydrophobicContact CG-CG1 3.64Å; M72-V120 HydrophobicContact CE-CG2 3.74Å; M72-V120 HydrophobicContact CG-CG2 4.11Å; E108-V120 PolarHBondContact N-O 2.94Å; Y109-V120 HydrophobicContact CD2-CB 3.97Å; Y109-V120 HydrophobicContact CD2-CG1 3.85Å; Y109-V120 HydrophobicContact CG-CB 4.44Å; Y109-V120 PolarHBondContact N-O 3.35Å; Y109-V120 VanDerWaalsContact N-O 3.09Å; Y109-V120 PolarHBondContact O-N 2.96Å; F111-V120 HydrophobicContact CE1-CG2 3.83Å
121M98.4Very high97.8Very high5 Ų517.6 Ų17.63%0.0259%0.088CC..EExtended strand (participates in β ladder)trans-104.7159.6-175.9-60.8165.9-65.500110.6Y70 A71 K73 V105 R106 L107 Y123Y70-M121 CarbonylContact C-O 3.6Å; Y70-M121 WeakPolarHBondContact CA-O 3.33Å; Y70-M121 WeakPolarHBondContact CB-O 3.42Å; A71-M121 HydrophobicContact CB-CE 4.5Å; A71-M121 PolarHBondContact N-O 2.83Å; A71-M121 PolarHBondContact O-N 2.81Å; K73-M121 HydrophobicContact CB-CE 3.83Å; V105-M121 HydrophobicContact CG1-SD 4.2Å; V105-M121 HydrophobicContact CG2-CB 3.94Å; R106-M121 CarbonylContact O-C 3.58Å; R106-M121 WeakPolarHBondContact O-CA 3.46Å; L107-M121 HydrophobicContact CD1-CG 4.14Å; M121-Y123 PolarHBondContact O-N 3.05Å
122E97.1Very high97.7Very high38 Ų3817.4 Ų17.418%0.1789%0.087CC..EExtended strand (participates in β ladder)trans-57138.9169.572-172.9139.100110.9V105 R106 V124V105-E122 HydrophobicContact CG2-CG 3.67Å; R106-E122 HydrophobicContact CB-CG 4.45Å; R106-E122 IonicContact CZ-OE2 3.84Å; R106-E122 VanDerWaalsContact CZ-OE2 3.25Å; R106-E122 PolarHBondContact N-OE1 3.29Å; R106-E122 IonicContact NH1-OE1 3.7Å; R106-E122 IonicContact NH1-OE2 3.47Å; R106-E122 PolarHBondContact NH1-OE2 2.65Å; R106-E122 IonicContact NH2-OE2 2.94Å; R106-E122 PolarHBondContact NH2-OE2 2.8Å; R106-E122 PolarHBondContact O-N 2.85Å; E122-V124 HydrophobicContact CG-CG2 4.44Å
123Y98.3Very high97.7Very high22 Ų2215.1 Ų15.19%0.0868%0.077CC..  trans-82.5126.3178.2177.4-127.9000110.9L50 L60 H69 A71 M121 P125 P322 D324 F328L50-Y123 HydrophobicContact CD1-CD2 3.8Å; L50-Y123 HydrophobicContact CD1-CE2 3.53Å; L50-Y123 HydrophobicContact CD2-CE2 4.04Å; L50-Y123 HydrophobicContact CG-CE2 4.45Å; L60-Y123 HydrophobicContact CD1-CD1 3.63Å; L60-Y123 HydrophobicContact CD1-CD2 3.89Å; L60-Y123 HydrophobicContact CD1-CE1 3.81Å; L60-Y123 HydrophobicContact CD1-CE2 4.11Å; L60-Y123 HydrophobicContact CD1-CG 3.66Å; H69-Y123 HydrophobicContact CB-CD1 4.35Å; A71-Y123 HydrophobicContact CB-CD2 4.39Å; M121-Y123 PolarHBondContact O-N 3.05Å; Y123-P125 HydrophobicContact CD1-CB 4.29Å; Y123-P125 HydrophobicContact CE1-CB 3.67Å; Y123-P125 WeakPolarHBondContact O-CD 3.17Å; Y123-P322 VanDerWaalsContact CD1-O 3.25Å; Y123-P322 WeakPolarHBondContact CD1-O 3.49Å; Y123-P322 WeakPolarHBondContact CE1-O 3.13Å; Y123-D324 PolarHBondContact OH-O 2.95Å; Y123-F328 HydrophobicContact CE2-CD2 4.49Å; Y123-F328 AromaticContact CE2-CE2 3.68Å; Y123-F328 HydrophobicContact CE2-CE2 3.68Å; Y123-F328 AromaticContact CE2-CZ 3.91Å; Y123-F328 HydrophobicContact CE2-CZ 3.91Å; Y123-F328 AromaticContact CZ-CE2 3.85Å; Y123-F328 VanDerWaalsContact OH-CE2 3.22Å; Y123-F328 WeakPolarHBondContact OH-CE2 3.23Å
124V98.1Very high97.7Very high5 Ų518.9 Ų18.93%0.039%0.089CC..  trans-108.8100178.8-172.80000109V105 E122 G126 L174 I175 D176 Q182 F328V105-V124 HydrophobicContact CG2-CG2 4.44Å; E122-V124 HydrophobicContact CG-CG2 4.44Å; V124-G126 VanDerWaalsContact C-N 3.33Å; V124-G126 PolarHBondContact O-N 2.82Å; V124-L174 HydrophobicContact CB-CB 3.91Å; V124-L174 HydrophobicContact CB-CD1 3.86Å; V124-L174 HydrophobicContact CG1-CB 3.62Å; V124-L174 HydrophobicContact CG2-CB 4.49Å; V124-L174 HydrophobicContact CG2-CD1 4.19Å; V124-I175 VanDerWaalsContact CG1-O 3.3Å; V124-I175 WeakPolarHBondContact CG1-O 3.4Å; V124-D176 HydrophobicContact CG1-CB 4.02Å; V124-Q182 HydrophobicContact CG1-CB 4.3Å; V124-Q182 HydrophobicContact CG1-CG 4.15Å; V124-Q182 HydrophobicContact CG2-CB 3.89Å; V124-Q182 HydrophobicContact CG2-CG 3.9Å; V124-F328 WeakPolarHBondContact O-CZ 3.42Å
125P97.1Very high97.5Very high2 Ų224 Ų241%0.01311%0.105CC..THydrogen-bonded Turntrans-78.6-10.4-164.430.9-37.6000114.9Y123 G127 Q177 F319 N327Y123-P125 HydrophobicContact CD1-CB 4.29Å; Y123-P125 HydrophobicContact CE1-CB 3.67Å; Y123-P125 WeakPolarHBondContact O-CD 3.17Å; P125-G127 PolarHBondContact O-N 3.47Å; P125-Q177 HydrophobicContact CG-CG 3.6Å; P125-F319 HydrophobicContact CB-CD2 4.38Å; P125-F319 HydrophobicContact CB-CG 4.41Å; P125-F319 HydrophobicContact CG-CD2 4.29Å; P125-F319 HydrophobicContact CG-CE2 4.34Å; P125-F319 HydrophobicContact CG-CG 4.43Å; P125-N327 PolarHBondContact O-ND2 3.47Å; P125-N327 VanDerWaalsContact O-ND2 3.09Å
126G96.9Very high97.4Very high0 Ų027.5 Ų27.50%012%0.122CC..THydrogen-bonded Turntrans-77.4-4.8-177.200000114.3V124 H132 I175 N327V124-G126 VanDerWaalsContact C-N 3.33Å; V124-G126 PolarHBondContact O-N 2.82Å; G126-H132 PolarHBondContact O-NE2 3.15Å; G126-I175 WeakPolarHBondContact CA-O 3.29Å; G126-I175 PolarHBondContact N-O 3.27Å; G126-I175 VanDerWaalsContact N-O 3.13Å; G126-N327 WeakPolarHBondContact O-CB 3.37Å
127G96.3Very high97.4Very high0 Ų029 Ų290%014%0.139CC..  trans73.5-172.3178.300000113.5P125 L174 I175P125-G127 PolarHBondContact O-N 3.47Å; G127-L174 WeakPolarHBondContact O-CA 3.37Å; G127-I175 PolarHBondContact O-N 2.93Å
128E97.2Very high97.4Very high45 Ų4534.4 Ų34.421%0.2116%0.159CC..BIsolated β-bridgetrans-77.6140.1-173.9-58.5177.9-171.900112.4F130 S131 H132 L174E128-F130 HydrophobicContact CB-CB 4.19Å; E128-F130 PolarHBondContact O-N 3.39Å; E128-S131 PolarHBondContact O-N 2.84Å; E128-H132 PolarHBondContact O-CD2 3.35Å; E128-H132 PolarHBondContact O-N 3.03Å; E128-L174 HydrophobicContact CG-CD2 3.91Å
129M98.4Very high97.4Very high0 Ų034.6 Ų34.60%016%0.16CC..Hα-helixtrans-54.3-36.2168.7177.2-173.5-6700110.7S131 H132 L133 F139 Y147 P170 L173 I181 L228 M232M129-S131 PolarHBondContact O-N 3.47Å; M129-H132 PolarHBondContact O-N 2.8Å; M129-L133 VanDerWaalsContact O-CB 3.3Å; M129-L133 WeakPolarHBondContact O-CB 3.39Å; M129-L133 PolarHBondContact O-N 3.36Å; M129-F139 HydrophobicContact CG-CE2 3.93Å; M129-F139 HydrophobicContact CG-CZ 4.23Å; M129-F139 HydrophobicContact SD-CE2 4.19Å; M129-Y147 HydrophobicContact CE-CD1 4.33Å; M129-Y147 HydrophobicContact CE-CD2 3.49Å; M129-Y147 VanDerWaalsContact CE-CD2 3.49Å; M129-Y147 HydrophobicContact CE-CE2 4.06Å; M129-Y147 HydrophobicContact CE-CG 3.65Å; M129-Y147 HydrophobicContact SD-CD2 4.45Å; M129-P170 HydrophobicContact CB-CB 4.38Å; M129-P170 WeakPolarHBondContact CB-O 3.48Å; M129-P170 HydrophobicContact CG-CB 4.35Å; M129-P170 PolarHBondContact N-O 2.84Å; M129-P170 HydrophobicContact SD-CB 4.47Å; M129-L173 HydrophobicContact CB-CB 4.05Å; M129-L173 WeakPolarHBondContact CB-O 3.42Å; M129-L173 HydrophobicContact CE-CB 4.2Å; M129-L173 HydrophobicContact CE-CD1 3.76Å; M129-L173 PolarHBondContact N-O 2.98Å; M129-L173 HydrophobicContact SD-CD1 3.99Å; M129-I181 HydrophobicContact CE-CD1 3.34Å; M129-I181 HydrophobicContact CE-CG1 4.13Å; M129-L228 HydrophobicContact SD-CD1 4.42Å; M129-M232 HydrophobicContact CE-SD 4.1Å; M129-M232 HydrophobicContact SD-CG 4.06Å; M129-M232 HydrophobicContact SD-SD 3.74Å
130F97.1Very high97.4Very high60 Ų6037.9 Ų37.926%0.26318%0.183SC..Hα-helixtrans-50.3-55.5176.5-176.3-96.3000112.1E128 H132 L133 R134 P170 E171E128-F130 HydrophobicContact CB-CB 4.19Å; E128-F130 PolarHBondContact O-N 3.39Å; F130-H132 VanDerWaalsContact C-N 3.32Å; F130-H132 PolarHBondContact O-N 3.21Å; F130-L133 PolarHBondContact O-N 2.65Å; F130-R134 HydrophobicContact CD1-CG 4.15Å; F130-R134 HydrophobicContact CD2-CG 4.46Å; F130-R134 HydrophobicContact CE1-CG 3.83Å; F130-R134 HydrophobicContact CE2-CG 4.19Å; F130-R134 HydrophobicContact CG-CG 4.45Å; F130-R134 HydrophobicContact CZ-CG 3.85Å; F130-R134 WeakPolarHBondContact O-CB 3.39Å; F130-R134 VanDerWaalsContact O-CG 3.3Å; F130-R134 WeakPolarHBondContact O-CG 3.47Å; F130-R134 PolarHBondContact O-N 3.43Å; F130-P170 HydrophobicContact CB-CB 3.83Å; F130-P170 HydrophobicContact CD2-CB 4.22Å; F130-P170 PolarHBondContact N-O 2.88Å; F130-E171 HydrophobicContact CB-CG 3.96Å; F130-E171 HydrophobicContact CD2-CG 3.97Å; F130-E171 HydrophobicContact CG-CG 3.92Å
131S95.7Very high97.4Very high33 Ų3339.5 Ų39.523%0.23119%0.191CC..Hα-helixtrans-61.8-39.4-177.9-54.90000112.1E128 M129 R135E128-S131 PolarHBondContact O-N 2.84Å; M129-S131 PolarHBondContact O-N 3.47Å; S131-R135 VanDerWaalsContact O-CB 3.29Å; S131-R135 WeakPolarHBondContact O-CB 3.33Å; S131-R135 PolarHBondContact O-N 2.99Å; S131-R135 VanDerWaalsContact O-N 3.07Å
132H96.8Very high97.4Very high3 Ų343.2 Ų43.21%0.01422%0.215CC..Hα-helixtrans-68-43.8175.8-64.6-68.4000112.4G126 E128 M129 F130 R135 I136 I175 F315G126-H132 PolarHBondContact O-NE2 3.15Å; E128-H132 PolarHBondContact O-CD2 3.35Å; E128-H132 PolarHBondContact O-N 3.03Å; M129-H132 PolarHBondContact O-N 2.8Å; F130-H132 VanDerWaalsContact C-N 3.32Å; F130-H132 PolarHBondContact O-N 3.21Å; H132-R135 PolarHBondContact CE1-NH2 3.5Å; H132-R135 PolarHBondContact ND1-NH2 3.05Å; H132-R135 PolarHBondContact O-N 2.89Å; H132-I136 WeakPolarHBondContact O-CB 3.27Å; H132-I136 WeakPolarHBondContact O-CG1 3.16Å; H132-I136 PolarHBondContact O-N 3.08Å; H132-I175 HydrophobicContact CB-CD1 4.47Å; H132-F315 AromaticContact CE1-CE1 3.57Å; H132-F315 AromaticContact CE1-CZ 3.53Å; H132-F315 AromaticContact CG-CE1 3.88Å; H132-F315 AromaticContact ND1-CE1 3.51Å; H132-F315 AromaticContact ND1-CZ 3.39Å; H132-F315 WeakPolarHBondContact ND1-CZ 3.21Å; H132-F315 AromaticContact NE2-CE1 3.94Å
133L97.9Very high97.5Very high0 Ų042.3 Ų42.30%021%0.211CC..Hα-helixtrans-62.5-46.4178.9179.561.1000110.7M129 F130 R135 I136 G137 F139 E231M129-L133 VanDerWaalsContact O-CB 3.3Å; M129-L133 WeakPolarHBondContact O-CB 3.39Å; M129-L133 PolarHBondContact O-N 3.36Å; F130-L133 PolarHBondContact O-N 2.65Å; L133-R135 PolarHBondContact O-N 2.86Å; L133-I136 PolarHBondContact O-N 2.92Å; L133-G137 CarbonylContact O-C 3.58Å; L133-G137 WeakPolarHBondContact O-CA 3.21Å; L133-G137 PolarHBondContact O-N 2.81Å; L133-F139 HydrophobicContact CB-CE1 4.32Å; L133-F139 HydrophobicContact CB-CE2 4.28Å; L133-F139 HydrophobicContact CB-CZ 3.84Å; L133-F139 HydrophobicContact CD1-CD1 4.08Å; L133-F139 HydrophobicContact CD1-CD2 4.05Å; L133-F139 HydrophobicContact CD1-CE1 4.04Å; L133-F139 HydrophobicContact CD1-CE2 4.01Å; L133-F139 HydrophobicContact CD1-CG 4.08Å; L133-F139 HydrophobicContact CD1-CZ 4Å; L133-E231 HydrophobicContact CD2-CG 3.94Å
134R97Very high97.5Very high111 Ų11141.2 Ų41.242%0.41921%0.207SC..Hα-helixtrans-62.8-40.9177.8-67.8-67.2171.2-145.4-9.3112.2F130 E231 G235F130-R134 HydrophobicContact CD1-CG 4.15Å; F130-R134 HydrophobicContact CD2-CG 4.46Å; F130-R134 HydrophobicContact CE1-CG 3.83Å; F130-R134 HydrophobicContact CE2-CG 4.19Å; F130-R134 HydrophobicContact CG-CG 4.45Å; F130-R134 HydrophobicContact CZ-CG 3.85Å; F130-R134 WeakPolarHBondContact O-CB 3.39Å; F130-R134 VanDerWaalsContact O-CG 3.3Å; F130-R134 WeakPolarHBondContact O-CG 3.47Å; F130-R134 PolarHBondContact O-N 3.43Å; R134-E231 IonicContact CZ-OE1 3.53Å; R134-E231 IonicContact NH2-OE1 2.7Å; R134-E231 PolarHBondContact NH2-OE1 3.5Å; R134-G235 PolarHBondContact NH1-O 2.82Å
135R95.5Very high97.6Very high160 Ų16042.9 Ų42.960%0.60421%0.212SC*.Hα-helixtrans-68.2-37.8178.4-173.8173.863.7-145-3.4113.1S131 H132 L133S131-R135 VanDerWaalsContact O-CB 3.29Å; S131-R135 WeakPolarHBondContact O-CB 3.33Å; S131-R135 PolarHBondContact O-N 2.99Å; S131-R135 VanDerWaalsContact O-N 3.07Å; H132-R135 PolarHBondContact CE1-NH2 3.5Å; H132-R135 PolarHBondContact ND1-NH2 3.05Å; H132-R135 PolarHBondContact O-N 2.89Å; L133-R135 PolarHBondContact O-N 2.86Å
136I95.6Very high97.7Very high86 Ų8643.5 Ų43.544%0.44122%0.215SC..Hα-helixtrans-84.1-22.4-179.7-65.8165.6000111.3H132 L133 R138 F139H132-I136 WeakPolarHBondContact O-CB 3.27Å; H132-I136 WeakPolarHBondContact O-CG1 3.16Å; H132-I136 PolarHBondContact O-N 3.08Å; L133-I136 PolarHBondContact O-N 2.92Å; I136-R138 WeakPolarHBondContact CG2-O 3.33Å; I136-R138 PolarHBondContact O-N 3.18Å; I136-F139 HydrophobicContact CD1-CE1 3.99Å
137G97.9Very high97.8Very high39 Ų3943.5 Ų43.540%0.40222%0.215SC..SBendtrans92.2-59.5-175.300000111.7L133 G235L133-G137 CarbonylContact O-C 3.58Å; L133-G137 WeakPolarHBondContact O-CA 3.21Å; L133-G137 PolarHBondContact O-N 2.81Å; G137-G235 WeakPolarHBondContact O-CA 3.35Å
138R98.3Very high97.9Very high113 Ų11343.5 Ų43.543%0.42622%0.215SC..  trans-155.7154175.570.4-166.6-178.4107-2.2111.7I136 A233 H261I136-R138 WeakPolarHBondContact CG2-O 3.33Å; I136-R138 PolarHBondContact O-N 3.18Å; R138-A233 WeakPolarHBondContact CD-O 3.36Å; R138-A233 PolarHBondContact NH1-O 2.78Å; R138-H261 VanDerWaalsContact CZ-CE1 3.5Å; R138-H261 PolarHBondContact NH1-CD2 3.13Å; R138-H261 PolarHBondContact NH1-CE1 2.99Å; R138-H261 PolarHBondContact NH1-NE2 3.4Å
139F98.7Very high98Very high4 Ų441.4 Ų41.42%0.01821%0.205CC..  trans-85.9151.5172.9-59.5-27.9000111.6M129 L133 I136 H143 A144 Y147 M232M129-F139 HydrophobicContact CG-CE2 3.93Å; M129-F139 HydrophobicContact CG-CZ 4.23Å; M129-F139 HydrophobicContact SD-CE2 4.19Å; L133-F139 HydrophobicContact CB-CE1 4.32Å; L133-F139 HydrophobicContact CB-CE2 4.28Å; L133-F139 HydrophobicContact CB-CZ 3.84Å; L133-F139 HydrophobicContact CD1-CD1 4.08Å; L133-F139 HydrophobicContact CD1-CD2 4.05Å; L133-F139 HydrophobicContact CD1-CE1 4.04Å; L133-F139 HydrophobicContact CD1-CE2 4.01Å; L133-F139 HydrophobicContact CD1-CG 4.08Å; L133-F139 HydrophobicContact CD1-CZ 4Å; I136-F139 HydrophobicContact CD1-CE1 3.99Å; F139-H143 HydrophobicContact CB-CB 4.05Å; F139-H143 AromaticContact CD1-CE1 3.5Å; F139-H143 AromaticContact CD1-ND1 3.62Å; F139-H143 AromaticContact CE1-CE1 3.77Å; F139-H143 AromaticContact CG-CE1 3.87Å; F139-H143 AromaticContact CG-CG 3.95Å; F139-H143 AromaticContact CG-ND1 3.76Å; F139-A144 HydrophobicContact CB-CB 4.38Å; F139-Y147 HydrophobicContact CD2-CD2 4.11Å; F139-Y147 HydrophobicContact CD2-CE2 4.09Å; F139-Y147 AromaticContact CE2-CD2 3.94Å; F139-Y147 HydrophobicContact CE2-CD2 3.94Å; F139-Y147 AromaticContact CE2-CE2 3.7Å; F139-Y147 HydrophobicContact CE2-CE2 3.7Å; F139-Y147 HydrophobicContact CZ-CE2 4.25Å; F139-M232 HydrophobicContact CD2-CB 3.97Å; F139-M232 HydrophobicContact CD2-CG 3.96Å; F139-M232 HydrophobicContact CD2-SD 4.18Å; F139-M232 HydrophobicContact CE2-CG 4.27Å; F139-M232 HydrophobicContact CE2-SD 4.44Å; F139-M232 PolarHBondContact N-O 3.31Å
140S98.7Very high98Very high70 Ų7041.4 Ų41.449%0.4921%0.205SC..  trans-66.9157.2167.368.80000110.2H143 A144S140-H143 WeakPolarHBondContact O-CB 3.46Å; S140-H143 PolarHBondContact O-N 3.44Å; S140-H143 VanDerWaalsContact O-N 3.09Å; S140-H143 WeakPolarHBondContact OG-CB 3.43Å; S140-H143 PolarHBondContact OG-N 3.23Å; S140-A144 PolarHBondContact O-N 2.94Å
141E98.8Very high98.1Very high34 Ų3438.5 Ų38.516%0.15919%0.192CC..Hα-helixtrans-57.9-41.5179.1-66.2-166.3-158.500113.7H143 A144 R145 S263 L266 W297E141-H143 VanDerWaalsContact C-N 3.32Å; E141-H143 PolarHBondContact O-N 3.44Å; E141-A144 PolarHBondContact O-N 2.93Å; E141-R145 WeakPolarHBondContact O-CB 3.42Å; E141-R145 PolarHBondContact O-N 3.42Å; E141-S263 WeakPolarHBondContact OE1-CB 3.38Å; E141-S263 PolarHBondContact OE1-N 3.25Å; E141-S263 PolarHBondContact OE1-OG 2.89Å; E141-S263 WeakPolarHBondContact OE2-CB 3.33Å; E141-S263 PolarHBondContact OE2-OG 3.49Å; E141-L266 HydrophobicContact CG-CD2 3.89Å; E141-W297 HydrophobicContact CB-CZ2 4.31Å; E141-W297 PolarHBondContact OE2-NE1 2.91Å
142P98.8Very high98.2Very high82 Ų8237 Ų3753%0.53218%0.181SC..Hα-helixtrans-61-38173.8-25.136000113.5R145 F146P142-R145 PolarHBondContact O-N 3Å; P142-F146 PolarHBondContact O-N 3.39Å
143H98.8Very high98.3Very high19 Ų1937.4 Ų37.49%0.08818%0.184CC..Hα-helixtrans-67.7-49.2176.9-176.2172.8000111.1F139 S140 E141 R145 F146 Y147 P314F139-H143 HydrophobicContact CB-CB 4.05Å; F139-H143 AromaticContact CD1-CE1 3.5Å; F139-H143 AromaticContact CD1-ND1 3.62Å; F139-H143 AromaticContact CE1-CE1 3.77Å; F139-H143 AromaticContact CG-CE1 3.87Å; F139-H143 AromaticContact CG-CG 3.95Å; F139-H143 AromaticContact CG-ND1 3.76Å; S140-H143 WeakPolarHBondContact O-CB 3.46Å; S140-H143 PolarHBondContact O-N 3.44Å; S140-H143 VanDerWaalsContact O-N 3.09Å; S140-H143 WeakPolarHBondContact OG-CB 3.43Å; S140-H143 PolarHBondContact OG-N 3.23Å; E141-H143 VanDerWaalsContact C-N 3.32Å; E141-H143 PolarHBondContact O-N 3.44Å; H143-R145 VanDerWaalsContact C-N 3.28Å; H143-R145 PolarHBondContact O-N 2.82Å; H143-F146 WeakPolarHBondContact O-CB 3.26Å; H143-F146 PolarHBondContact O-N 2.75Å; H143-Y147 AromaticContact CD2-CD2 3.81Å; H143-Y147 AromaticContact CD2-CE2 3.24Å; H143-Y147 WeakPolarHBondContact CD2-CE2 3.36Å; H143-Y147 AromaticContact CD2-CZ 3.69Å; H143-Y147 AromaticContact NE2-CE2 3.02Å; H143-Y147 WeakPolarHBondContact NE2-CE2 3.38Å; H143-Y147 AromaticContact NE2-CZ 3.31Å; H143-Y147 VanDerWaalsContact NE2-CZ 3.31Å; H143-Y147 PolarHBondContact NE2-OH 3.22Å; H143-Y147 VanDerWaalsContact NE2-OH 3.07Å; H143-Y147 PolarHBondContact O-N 3.17Å; H143-P314 HydrophobicContact CB-CB 4.04Å; H143-P314 HydrophobicContact CB-CG 4.16Å; H143-P314 WeakPolarHBondContact CD2-CG 3.49Å
144A98.9Very high98.4Very high0 Ų037.4 Ų37.40%018%0.184CC..Hα-helixtrans-59.3-39.3174.500000111.8F139 S140 E141 Y147 A148 M232 W297F139-A144 HydrophobicContact CB-CB 4.38Å; S140-A144 PolarHBondContact O-N 2.94Å; E141-A144 PolarHBondContact O-N 2.93Å; A144-Y147 PolarHBondContact O-N 3.47Å; A144-A148 VanDerWaalsContact O-CB 3.25Å; A144-A148 WeakPolarHBondContact O-CB 3.42Å; A144-A148 PolarHBondContact O-N 3.48Å; A144-M232 HydrophobicContact CB-CB 3.82Å; A144-M232 HydrophobicContact CB-CE 4.15Å; A144-M232 HydrophobicContact CB-SD 4.46Å; A144-M232 WeakPolarHBondContact O-CE 3.26Å; A144-W297 HydrophobicContact CB-CH2 4.47Å
145R98.9Very high98.5Very high39 Ų3932.2 Ų32.215%0.14716%0.164CC..Hα-helixtrans-63.6-40.1176.8-174.3-171.6-56.7147.64.9112.5E141 P142 H143 Y147 A148 A149 W297 F298 T300 T301E141-R145 WeakPolarHBondContact O-CB 3.42Å; E141-R145 PolarHBondContact O-N 3.42Å; P142-R145 PolarHBondContact O-N 3Å; H143-R145 VanDerWaalsContact C-N 3.28Å; H143-R145 PolarHBondContact O-N 2.82Å; R145-Y147 VanDerWaalsContact C-N 3.35Å; R145-Y147 PolarHBondContact O-N 3.31Å; R145-A148 PolarHBondContact O-N 3.35Å; R145-A149 WeakPolarHBondContact O-CB 3.42Å; R145-A149 PolarHBondContact O-N 3.36Å; R145-W297 HydrophobicContact CB-CE3 4.4Å; R145-W297 HydrophobicContact CB-CH2 3.54Å; R145-W297 HydrophobicContact CB-CZ2 3.88Å; R145-W297 HydrophobicContact CB-CZ3 3.81Å; R145-W297 WeakPolarHBondContact CD-O 3.36Å; R145-W297 HydrophobicContact CG-CE3 4.12Å; R145-W297 HydrophobicContact CG-CH2 4.14Å; R145-W297 HydrophobicContact CG-CZ3 3.88Å; R145-W297 VanDerWaalsContact CZ-O 3.22Å; R145-W297 PolarHBondContact NE-O 3.33Å; R145-W297 PolarHBondContact NH2-O 3.39Å; R145-F298 HydrophobicContact CG-CD1 3.68Å; R145-F298 HydrophobicContact CG-CE1 3.83Å; R145-T300 PolarHBondContact NH1-OG1 3.26Å; R145-T301 WeakPolarHBondContact CD-OG1 3.27Å
146F98.9Very high98.6Very high16 Ų1626 Ų267%0.0714%0.142CC..Hα-helixtrans-58-46.7176.7173.3-97.9000111.4P142 H143 Q150 Y180 I306 V311 A313 P314P142-F146 PolarHBondContact O-N 3.39Å; H143-F146 WeakPolarHBondContact O-CB 3.26Å; H143-F146 PolarHBondContact O-N 2.75Å; F146-Q150 PolarHBondContact O-NE2 3.39Å; F146-Y180 AromaticContact CE2-CE1 3.98Å; F146-Y180 HydrophobicContact CE2-CE1 3.98Å; F146-Y180 HydrophobicContact CE2-CE2 4.37Å; F146-Y180 AromaticContact CE2-CZ 3.83Å; F146-Y180 AromaticContact CZ-CD1 3.92Å; F146-Y180 HydrophobicContact CZ-CD1 3.92Å; F146-Y180 HydrophobicContact CZ-CD2 4.04Å; F146-Y180 AromaticContact CZ-CE1 3.68Å; F146-Y180 HydrophobicContact CZ-CE1 3.68Å; F146-Y180 AromaticContact CZ-CE2 3.8Å; F146-Y180 HydrophobicContact CZ-CE2 3.8Å; F146-Y180 HydrophobicContact CZ-CG 4.1Å; F146-Y180 AromaticContact CZ-CZ 3.61Å; F146-I306 HydrophobicContact CD2-CD1 3.6Å; F146-I306 HydrophobicContact CE2-CD1 3.74Å; F146-V311 HydrophobicContact CD2-CG1 4.11Å; F146-V311 HydrophobicContact CE2-CB 4.13Å; F146-V311 HydrophobicContact CE2-CG1 4Å; F146-A313 HydrophobicContact CE1-CB 3.92Å; F146-A313 HydrophobicContact CZ-CB 3.78Å; F146-P314 HydrophobicContact CB-CG 4.26Å; F146-P314 HydrophobicContact CD1-CG 3.83Å; F146-P314 HydrophobicContact CE1-CG 4.44Å; F146-P314 HydrophobicContact CG-CG 4.16Å
147Y98.9Very high98.8Very high0 Ų022.2 Ų22.20%012%0.122CC..Hα-helixtrans-71.9-42.4176.1-61.9-38.3000112.7M129 F139 H143 A144 R145 A149 Q150 I151 G179 I181 M232M129-Y147 HydrophobicContact CE-CD1 4.33Å; M129-Y147 HydrophobicContact CE-CD2 3.49Å; M129-Y147 VanDerWaalsContact CE-CD2 3.49Å; M129-Y147 HydrophobicContact CE-CE2 4.06Å; M129-Y147 HydrophobicContact CE-CG 3.65Å; M129-Y147 HydrophobicContact SD-CD2 4.45Å; F139-Y147 HydrophobicContact CD2-CD2 4.11Å; F139-Y147 HydrophobicContact CD2-CE2 4.09Å; F139-Y147 AromaticContact CE2-CD2 3.94Å; F139-Y147 HydrophobicContact CE2-CD2 3.94Å; F139-Y147 AromaticContact CE2-CE2 3.7Å; F139-Y147 HydrophobicContact CE2-CE2 3.7Å; F139-Y147 HydrophobicContact CZ-CE2 4.25Å; H143-Y147 AromaticContact CD2-CD2 3.81Å; H143-Y147 AromaticContact CD2-CE2 3.24Å; H143-Y147 WeakPolarHBondContact CD2-CE2 3.36Å; H143-Y147 AromaticContact CD2-CZ 3.69Å; H143-Y147 AromaticContact NE2-CE2 3.02Å; H143-Y147 WeakPolarHBondContact NE2-CE2 3.38Å; H143-Y147 AromaticContact NE2-CZ 3.31Å; H143-Y147 VanDerWaalsContact NE2-CZ 3.31Å; H143-Y147 PolarHBondContact NE2-OH 3.22Å; H143-Y147 VanDerWaalsContact NE2-OH 3.07Å; H143-Y147 PolarHBondContact O-N 3.17Å; A144-Y147 PolarHBondContact O-N 3.47Å; R145-Y147 VanDerWaalsContact C-N 3.35Å; R145-Y147 PolarHBondContact O-N 3.31Å; Y147-A149 VanDerWaalsContact C-N 3.26Å; Y147-A149 PolarHBondContact O-N 3.43Å; Y147-Q150 WeakPolarHBondContact O-CB 3.39Å; Y147-Q150 PolarHBondContact O-N 3.27Å; Y147-I151 PolarHBondContact O-N 3.46Å; Y147-I151 VanDerWaalsContact O-N 3.13Å; Y147-G179 WeakPolarHBondContact CE1-O 3.43Å; Y147-I181 HydrophobicContact CD1-CD1 3.57Å; Y147-I181 HydrophobicContact CD1-CG1 3.52Å; Y147-I181 HydrophobicContact CE1-CD1 3.82Å; Y147-I181 HydrophobicContact CE1-CG1 4.16Å; Y147-I181 HydrophobicContact CG-CD1 4.06Å; Y147-I181 HydrophobicContact CG-CG1 4.09Å; Y147-M232 HydrophobicContact CD2-SD 4.03Å
148A98.9Very high98.8Very high0 Ų020.4 Ų20.40%010%0.103CC..Hα-helixtrans-58.6-38.2177.800000112.2A144 R145 Q150 I151 V152 L225 V229 M232 W297 F298A144-A148 VanDerWaalsContact O-CB 3.25Å; A144-A148 WeakPolarHBondContact O-CB 3.42Å; A144-A148 PolarHBondContact O-N 3.48Å; R145-A148 PolarHBondContact O-N 3.35Å; A148-Q150 VanDerWaalsContact C-N 3.3Å; A148-Q150 PolarHBondContact O-N 3.08Å; A148-I151 PolarHBondContact O-N 3.26Å; A148-V152 VanDerWaalsContact O-CG2 3.29Å; A148-V152 WeakPolarHBondContact O-CG2 3.45Å; A148-V152 PolarHBondContact O-N 3.21Å; A148-L225 HydrophobicContact CB-CD1 4.46Å; A148-V229 HydrophobicContact CB-CG2 3.66Å; A148-M232 HydrophobicContact CB-CE 4.25Å; A148-W297 HydrophobicContact CB-CH2 4.39Å; A148-W297 HydrophobicContact CB-CZ3 4.1Å; A148-F298 HydrophobicContact CB-CE1 4.09Å; A148-F298 HydrophobicContact CB-CZ 3.91Å
149A98.9Very high98.8Very high0 Ų015.6 Ų15.60%09%0.086CC..Hα-helixtrans-60.8-39.1176.300000112.2R145 Y147 V152 L153 F298 T301 W303 I306R145-A149 WeakPolarHBondContact O-CB 3.42Å; R145-A149 PolarHBondContact O-N 3.36Å; Y147-A149 VanDerWaalsContact C-N 3.26Å; Y147-A149 PolarHBondContact O-N 3.43Å; A149-V152 PolarHBondContact O-N 3.1Å; A149-L153 WeakPolarHBondContact O-CG 3.38Å; A149-L153 PolarHBondContact O-N 3.36Å; A149-L153 VanDerWaalsContact O-N 3.11Å; A149-F298 HydrophobicContact CB-CE1 4.26Å; A149-T301 HydrophobicContact CB-CG2 3.74Å; A149-W303 HydrophobicContact CB-CE3 4.41Å; A149-W303 HydrophobicContact CB-CH2 4.16Å; A149-W303 HydrophobicContact CB-CZ3 3.8Å; A149-W303 WeakPolarHBondContact O-CZ3 3.42Å; A149-I306 HydrophobicContact CB-CG1 4.45Å; A149-I306 HydrophobicContact CB-CG2 4.39Å
150Q98.9Very high98.8Very high0 Ų016.9 Ų16.90%010%0.097CC..Hα-helixtrans-66.3-43.8176.5-64.7163.265.200111F103 F146 Y147 A148 V152 L153 T154 Y180 I306F103-Q150 HydrophobicContact CD1-CB 4.41Å; F103-Q150 HydrophobicContact CD1-CG 4.24Å; F103-Q150 HydrophobicContact CD2-CB 3.81Å; F103-Q150 HydrophobicContact CD2-CG 4.2Å; F103-Q150 HydrophobicContact CE1-CG 4.02Å; F103-Q150 HydrophobicContact CE2-CB 4Å; F103-Q150 HydrophobicContact CE2-CG 3.98Å; F103-Q150 HydrophobicContact CG-CB 4.05Å; F103-Q150 HydrophobicContact CG-CG 4.36Å; F103-Q150 HydrophobicContact CZ-CB 4.39Å; F103-Q150 HydrophobicContact CZ-CG 3.89Å; F146-Q150 PolarHBondContact O-NE2 3.39Å; Y147-Q150 WeakPolarHBondContact O-CB 3.39Å; Y147-Q150 PolarHBondContact O-N 3.27Å; A148-Q150 VanDerWaalsContact C-N 3.3Å; A148-Q150 PolarHBondContact O-N 3.08Å; Q150-V152 PolarHBondContact O-N 3.27Å; Q150-L153 PolarHBondContact O-N 3.26Å; Q150-T154 WeakPolarHBondContact O-CB 3.4Å; Q150-T154 PolarHBondContact O-N 3.09Å; Q150-T154 PolarHBondContact O-OG1 3.09Å; Q150-T154 VanDerWaalsContact O-OG1 3.05Å; Q150-Y180 HydrophobicContact CG-CD1 4.26Å; Q150-Y180 VanDerWaalsContact OE1-CD1 3.28Å; Q150-I306 HydrophobicContact CG-CG2 3.73Å
151I98.9Very high98.8Very high0 Ų013.6 Ų13.60%07%0.074CC..Hα-helixtrans-63.9-39.6176.6-57.2-54.6000111.8Y147 A148 L153 T154 F155 L168 L173 I181 V183 L225 L228Y147-I151 PolarHBondContact O-N 3.46Å; Y147-I151 VanDerWaalsContact O-N 3.13Å; A148-I151 PolarHBondContact O-N 3.26Å; I151-L153 VanDerWaalsContact C-N 3.34Å; I151-L153 PolarHBondContact O-N 3.44Å; I151-T154 PolarHBondContact O-N 3.43Å; I151-F155 HydrophobicContact CG2-CD2 3.89Å; I151-F155 HydrophobicContact CG2-CE1 4.27Å; I151-F155 HydrophobicContact CG2-CE2 3.57Å; I151-F155 HydrophobicContact CG2-CG 4.38Å; I151-F155 HydrophobicContact CG2-CZ 3.8Å; I151-F155 WeakPolarHBondContact O-CG 3Å; I151-F155 PolarHBondContact O-N 3.48Å; I151-L168 HydrophobicContact CD1-CD1 4.19Å; I151-L168 HydrophobicContact CG2-CD1 4.01Å; I151-L168 HydrophobicContact CG2-CD2 4Å; I151-L173 HydrophobicContact CD1-CD1 4.06Å; I151-L173 HydrophobicContact CD1-CD2 3.66Å; I151-L173 HydrophobicContact CG1-CD1 4.45Å; I151-I181 HydrophobicContact CD1-CG2 4.1Å; I151-V183 HydrophobicContact CD1-CG2 3.92Å; I151-L225 HydrophobicContact CB-CD1 4.07Å; I151-L225 HydrophobicContact CG2-CD1 3.86Å; I151-L228 HydrophobicContact CG1-CD2 4.08Å
152V98.9Very high98.8Very high0 Ų013.9 Ų13.90%08%0.076CC..Hα-helixtrans-58.6-46.3174.6168.50000111.1A148 A149 Q150 F155 E156 W222 L225 V289 I292 K293 F298 W303A148-V152 VanDerWaalsContact O-CG2 3.29Å; A148-V152 WeakPolarHBondContact O-CG2 3.45Å; A148-V152 PolarHBondContact O-N 3.21Å; A149-V152 PolarHBondContact O-N 3.1Å; Q150-V152 PolarHBondContact O-N 3.27Å; V152-F155 PolarHBondContact O-N 2.97Å; V152-E156 WeakPolarHBondContact O-CB 3.33Å; V152-E156 PolarHBondContact O-N 3.38Å; V152-W222 HydrophobicContact CG2-CZ3 4.29Å; V152-L225 HydrophobicContact CG2-CD2 3.56Å; V152-V289 HydrophobicContact CG1-CG2 3.68Å; V152-I292 HydrophobicContact CG1-CG2 4.45Å; V152-I292 HydrophobicContact CG2-CG2 3.82Å; V152-K293 HydrophobicContact CG1-CD 4.32Å; V152-K293 HydrophobicContact CG1-CG 3.8Å; V152-F298 HydrophobicContact CG2-CZ 4.27Å; V152-W303 HydrophobicContact CB-CH2 4.05Å; V152-W303 HydrophobicContact CB-CZ3 3.84Å; V152-W303 HydrophobicContact CG1-CH2 3.79Å; V152-W303 HydrophobicContact CG1-CZ3 3.68Å; V152-W303 HydrophobicContact CG2-CH2 4.39Å
153L98.8Very high98.8Very high13 Ų1310 Ų107%0.0685%0.052CC..Hα-helixtrans-65.8-40177.2-70.4173.4000112.1F101 F103 A149 Q150 I151 E156 Y157 W303 I306F101-L153 HydrophobicContact CE1-CB 4.09Å; F101-L153 HydrophobicContact CZ-CB 3.98Å; F101-L153 WeakPolarHBondContact CZ-O 3.48Å; F103-L153 HydrophobicContact CE2-CB 4.24Å; F103-L153 HydrophobicContact CE2-CD1 3.98Å; A149-L153 WeakPolarHBondContact O-CG 3.38Å; A149-L153 PolarHBondContact O-N 3.36Å; A149-L153 VanDerWaalsContact O-N 3.11Å; Q150-L153 PolarHBondContact O-N 3.26Å; I151-L153 VanDerWaalsContact C-N 3.34Å; I151-L153 PolarHBondContact O-N 3.44Å; L153-E156 PolarHBondContact O-N 3.07Å; L153-Y157 WeakPolarHBondContact O-CB 3.28Å; L153-Y157 PolarHBondContact O-N 3.44Å; L153-W303 HydrophobicContact CD1-CE3 4.2Å; L153-W303 HydrophobicContact CD2-CE3 3.87Å; L153-W303 HydrophobicContact CG-CE3 3.84Å; L153-W303 HydrophobicContact CG-CZ3 4.2Å; L153-I306 HydrophobicContact CD1-CB 4.32Å; L153-I306 HydrophobicContact CD1-CG2 3.8Å
154T98.9Very high98.8Very high0 Ų09.3 Ų9.30%05%0.048CC..Hα-helixtrans-62.2-44.3175.6-64.10000111.7L104 Q150 I151 Y157 L158 V183L104-T154 HydrophobicContact CD2-CG2 3.41Å; L104-T154 VanDerWaalsContact CD2-CG2 3.41Å; L104-T154 HydrophobicContact CG-CG2 4.16Å; Q150-T154 WeakPolarHBondContact O-CB 3.4Å; Q150-T154 PolarHBondContact O-N 3.09Å; Q150-T154 PolarHBondContact O-OG1 3.09Å; Q150-T154 VanDerWaalsContact O-OG1 3.05Å; I151-T154 PolarHBondContact O-N 3.43Å; T154-Y157 WeakPolarHBondContact O-CB 3.48Å; T154-Y157 PolarHBondContact O-N 3.21Å; T154-L158 HydrophobicContact CG2-CD1 3.96Å; T154-L158 HydrophobicContact CG2-CG 4.35Å; T154-L158 WeakPolarHBondContact O-CB 3.2Å; T154-L158 WeakPolarHBondContact O-CG 3.42Å; T154-L158 PolarHBondContact O-N 2.92Å; T154-V183 HydrophobicContact CG2-CG2 4.19Å
155F98.9Very high98.8Very high2 Ų29.4 Ų9.41%0.0095%0.049CC..Hα-helixtrans-69.7-38.2176.5-71.5-14.3000112.6I151 V152 Y157 L158 H159 Y165 L168 D221 W222 L225I151-F155 HydrophobicContact CG2-CD2 3.89Å; I151-F155 HydrophobicContact CG2-CE1 4.27Å; I151-F155 HydrophobicContact CG2-CE2 3.57Å; I151-F155 HydrophobicContact CG2-CG 4.38Å; I151-F155 HydrophobicContact CG2-CZ 3.8Å; I151-F155 WeakPolarHBondContact O-CG 3Å; I151-F155 PolarHBondContact O-N 3.48Å; V152-F155 PolarHBondContact O-N 2.97Å; F155-Y157 VanDerWaalsContact C-N 3.27Å; F155-Y157 PolarHBondContact O-N 3.24Å; F155-L158 HydrophobicContact CD1-CD1 4.43Å; F155-L158 PolarHBondContact O-N 3Å; F155-H159 WeakPolarHBondContact O-CB 3.32Å; F155-H159 PolarHBondContact O-CD2 3.23Å; F155-H159 PolarHBondContact O-N 3.44Å; F155-Y165 HydrophobicContact CE1-CD1 4.07Å; F155-Y165 HydrophobicContact CE1-CG 4.29Å; F155-Y165 HydrophobicContact CZ-CD1 4.42Å; F155-L168 HydrophobicContact CE2-CD2 3.96Å; F155-L168 HydrophobicContact CZ-CB 4.13Å; F155-L168 HydrophobicContact CZ-CD1 4.11Å; F155-L168 HydrophobicContact CZ-CD2 3.82Å; F155-L168 HydrophobicContact CZ-CG 4.25Å; F155-D221 HydrophobicContact CD1-CB 4.43Å; F155-D221 HydrophobicContact CD2-CB 3.97Å; F155-D221 HydrophobicContact CE1-CB 4.21Å; F155-D221 HydrophobicContact CE2-CB 3.72Å; F155-D221 VanDerWaalsContact CE2-O 3.25Å; F155-D221 WeakPolarHBondContact CE2-O 3.49Å; F155-D221 HydrophobicContact CG-CB 4.32Å; F155-D221 HydrophobicContact CZ-CB 3.84Å; F155-W222 HydrophobicContact CB-CH2 3.5Å; F155-W222 VanDerWaalsContact CB-CH2 3.5Å; F155-W222 HydrophobicContact CB-CZ2 3.92Å; F155-W222 HydrophobicContact CB-CZ3 3.89Å; F155-W222 AromaticContact CD2-CE3 4Å; F155-W222 HydrophobicContact CD2-CE3 4Å; F155-W222 HydrophobicContact CD2-CH2 4.33Å; F155-W222 AromaticContact CD2-CZ3 3.86Å; F155-W222 HydrophobicContact CD2-CZ3 3.86Å; F155-W222 HydrophobicContact CG-CH2 4.46Å; F155-W222 HydrophobicContact CG-CZ3 4.41Å; F155-L225 HydrophobicContact CE2-CB 4.25Å
156E98.7Very high98.7Very high29 Ų298.2 Ų8.214%0.1364%0.044CC..Hα-helixtrans-54.5-46.7171.2-177.8170.1-150.600111.1L20 V152 L153 A160 V289 K293L20-E156 HydrophobicContact CD1-CG 4.38Å; V152-E156 WeakPolarHBondContact O-CB 3.33Å; V152-E156 PolarHBondContact O-N 3.38Å; L153-E156 PolarHBondContact O-N 3.07Å; E156-A160 WeakPolarHBondContact O-CB 3.49Å; E156-A160 PolarHBondContact O-N 3.32Å; E156-V289 HydrophobicContact CB-CG1 4.47Å; E156-V289 HydrophobicContact CB-CG2 4.27Å; E156-V289 HydrophobicContact CG-CG1 3.99Å; E156-V289 WeakPolarHBondContact OE1-CG1 3.31Å; E156-K293 IonicContact OE1-NZ 3.51Å; E156-K293 PolarHBondContact OE1-NZ 3.39Å; E156-K293 IonicContact OE2-NZ 2.88Å; E156-K293 PolarHBondContact OE2-NZ 3.37Å
157Y98.8Very high98.7Very high6 Ų67.9 Ų7.92%0.0244%0.043CC..Hα-helixtrans-62.3-56.9175.2171.3-95.5000112.4A23 V99 S100 F101 L104 L153 T154 F155 H159 A160 L161A23-Y157 HydrophobicContact CB-CD2 4.32Å; A23-Y157 HydrophobicContact CB-CE2 3.81Å; V99-Y157 HydrophobicContact CB-CE1 4.08Å; V99-Y157 HydrophobicContact CG1-CE1 4.24Å; S100-Y157 PolarHBondContact N-OH 3.01Å; S100-Y157 WeakPolarHBondContact O-CE2 3.48Å; S100-Y157 PolarHBondContact O-OH 3.17Å; F101-Y157 HydrophobicContact CB-CD1 3.87Å; F101-Y157 HydrophobicContact CB-CD2 4.4Å; F101-Y157 HydrophobicContact CB-CE1 3.91Å; F101-Y157 HydrophobicContact CB-CE2 4.39Å; F101-Y157 HydrophobicContact CB-CG 4.14Å; F101-Y157 HydrophobicContact CD2-CD1 4.08Å; F101-Y157 AromaticContact CD2-CD2 3.41Å; F101-Y157 HydrophobicContact CD2-CD2 3.41Å; F101-Y157 VanDerWaalsContact CD2-CD2 3.41Å; F101-Y157 AromaticContact CD2-CE2 3.98Å; F101-Y157 HydrophobicContact CD2-CE2 3.98Å; F101-Y157 AromaticContact CD2-CG 3.47Å; F101-Y157 HydrophobicContact CD2-CG 3.47Å; F101-Y157 VanDerWaalsContact CD2-CG 3.47Å; F101-Y157 AromaticContact CE2-CD2 3.93Å; F101-Y157 HydrophobicContact CE2-CD2 3.93Å; F101-Y157 AromaticContact CE2-CG 3.95Å; F101-Y157 HydrophobicContact CE2-CG 3.95Å; F101-Y157 AromaticContact CG-CD1 3.96Å; F101-Y157 HydrophobicContact CG-CD1 3.96Å; F101-Y157 HydrophobicContact CG-CD2 4.13Å; F101-Y157 HydrophobicContact CG-CE1 4.45Å; F101-Y157 AromaticContact CG-CG 3.8Å; F101-Y157 HydrophobicContact CG-CG 3.8Å; L104-Y157 HydrophobicContact CD1-CD1 4.13Å; L104-Y157 HydrophobicContact CD1-CE1 3.94Å; L153-Y157 WeakPolarHBondContact O-CB 3.28Å; L153-Y157 PolarHBondContact O-N 3.44Å; T154-Y157 WeakPolarHBondContact O-CB 3.48Å; T154-Y157 PolarHBondContact O-N 3.21Å; F155-Y157 VanDerWaalsContact C-N 3.27Å; F155-Y157 PolarHBondContact O-N 3.24Å; Y157-H159 VanDerWaalsContact C-N 3.33Å; Y157-H159 PolarHBondContact O-N 2.81Å; Y157-A160 WeakPolarHBondContact O-CB 3.48Å; Y157-A160 PolarHBondContact O-N 2.79Å; Y157-L161 HydrophobicContact CD1-CD1 4.28Å; Y157-L161 HydrophobicContact CE1-CD1 3.6Å; Y157-L161 HydrophobicContact CE2-CD1 4.13Å; Y157-L161 WeakPolarHBondContact O-CG 3.48Å; Y157-L161 PolarHBondContact O-N 3.46Å
158L98.8Very high98.7Very high1 Ų18 Ų81%0.0054%0.044CC..Hα-helixtrans-60.3-43.1-176.6-70.5177.1000111.7V99 L104 T154 F155 A160 L161 D162 L163 F186V99-L158 HydrophobicContact CG1-CD2 4.12Å; L104-L158 HydrophobicContact CD1-CD2 3.98Å; T154-L158 HydrophobicContact CG2-CD1 3.96Å; T154-L158 HydrophobicContact CG2-CG 4.35Å; T154-L158 WeakPolarHBondContact O-CB 3.2Å; T154-L158 WeakPolarHBondContact O-CG 3.42Å; T154-L158 PolarHBondContact O-N 2.92Å; F155-L158 HydrophobicContact CD1-CD1 4.43Å; F155-L158 PolarHBondContact O-N 3Å; L158-A160 VanDerWaalsContact C-N 3.3Å; L158-A160 PolarHBondContact O-N 3.46Å; L158-L161 WeakPolarHBondContact O-CA 3.3Å; L158-L161 WeakPolarHBondContact O-CB 3.3Å; L158-L161 PolarHBondContact O-N 3.08Å; L158-D162 PolarHBondContact O-N 3.2Å; L158-L163 CarbonylContact C-O 3.59Å; L158-L163 HydrophobicContact CB-CB 4.17Å; L158-L163 HydrophobicContact CD2-CB 4.36Å; L158-L163 HydrophobicContact CD2-CD1 3.79Å; L158-L163 WeakPolarHBondContact O-CB 3.39Å; L158-L163 PolarHBondContact O-N 2.91Å; L158-F186 HydrophobicContact CD2-CE1 4.22Å
159H98.6Very high98.6Very high13 Ų139.5 Ų9.56%0.065%0.05CC..Hα-helixtrans-69.7-27.4-177.9-65.7-176.9000112.3F155 Y157 L161 D162 L163 K218 D221 W222F155-H159 WeakPolarHBondContact O-CB 3.32Å; F155-H159 PolarHBondContact O-CD2 3.23Å; F155-H159 PolarHBondContact O-N 3.44Å; Y157-H159 VanDerWaalsContact C-N 3.33Å; Y157-H159 PolarHBondContact O-N 2.81Å; H159-L161 PolarHBondContact O-N 3.47Å; H159-D162 PolarHBondContact O-N 3.37Å; H159-L163 PolarHBondContact CD2-O 3.4Å; H159-K218 HydrophobicContact CB-CD 3.87Å; H159-K218 PolarHBondContact CE1-O 3.48Å; H159-D221 IonicContact CD2-OD2 3.22Å; H159-D221 IonicContact CE1-OD2 3.27Å; H159-D221 IonicContact NE2-OD2 3.69Å; H159-D221 PolarHBondContact NE2-OD2 3.35Å; H159-W222 AromaticContact CE1-CE2 3.69Å; H159-W222 AromaticContact CE1-CZ2 3.92Å; H159-W222 AromaticContact CE1-NE1 3.51Å; H159-W222 AromaticContact ND1-CE2 3.73Å; H159-W222 AromaticContact ND1-CZ2 3.7Å; H159-W222 AromaticContact ND1-NE1 3.47Å; H159-W222 PolarHBondContact ND1-NE1 2.96Å
160A98.1Very high98.6Very high30 Ų309.5 Ų9.525%0.2485%0.05CC..Hα-helixtrans-66.9-26.9171.800000112.3L20 K24 E156 Y157 L158 D162L20-A160 HydrophobicContact CB-CB 4.42Å; L20-A160 HydrophobicContact CD1-CB 4.29Å; L20-A160 HydrophobicContact CD2-CB 4.04Å; L20-A160 HydrophobicContact CG-CB 4.49Å; K24-A160 PolarHBondContact NZ-O 3.5Å; E156-A160 WeakPolarHBondContact O-CB 3.49Å; E156-A160 PolarHBondContact O-N 3.32Å; Y157-A160 WeakPolarHBondContact O-CB 3.48Å; Y157-A160 PolarHBondContact O-N 2.79Å; L158-A160 VanDerWaalsContact C-N 3.3Å; L158-A160 PolarHBondContact O-N 3.46Å; A160-D162 VanDerWaalsContact C-N 3.28Å
161L98.4Very high98.5Very high1 Ų112.5 Ų12.51%0.0056%0.064CC..THydrogen-bonded Turntrans-86.45.5175.8-55.8-178.1000113.7K24 F27 V99 Y157 L158 H159 L163K24-L161 HydrophobicContact CB-CD2 3.81Å; K24-L161 HydrophobicContact CG-CD2 4.04Å; F27-L161 HydrophobicContact CB-CD1 3.98Å; F27-L161 HydrophobicContact CB-CD2 3.78Å; F27-L161 HydrophobicContact CB-CG 4.45Å; F27-L161 HydrophobicContact CD1-CB 4.21Å; F27-L161 HydrophobicContact CD1-CD1 4.46Å; F27-L161 HydrophobicContact CD1-CD2 4.13Å; F27-L161 HydrophobicContact CD2-CD1 3.86Å; F27-L161 HydrophobicContact CE1-CB 4.37Å; F27-L161 HydrophobicContact CG-CB 4.4Å; F27-L161 HydrophobicContact CG-CD1 3.83Å; F27-L161 HydrophobicContact CG-CD2 4.01Å; F27-L161 HydrophobicContact CG-CG 4.31Å; V99-L161 HydrophobicContact CG1-CD1 4.31Å; Y157-L161 HydrophobicContact CD1-CD1 4.28Å; Y157-L161 HydrophobicContact CE1-CD1 3.6Å; Y157-L161 HydrophobicContact CE2-CD1 4.13Å; Y157-L161 WeakPolarHBondContact O-CG 3.48Å; Y157-L161 PolarHBondContact O-N 3.46Å; L158-L161 WeakPolarHBondContact O-CA 3.3Å; L158-L161 WeakPolarHBondContact O-CB 3.3Å; L158-L161 PolarHBondContact O-N 3.08Å; H159-L161 PolarHBondContact O-N 3.47Å; L161-L163 HydrophobicContact CB-CD1 3.94Å; L161-L163 HydrophobicContact CB-CG 3.98Å; L161-L163 HydrophobicContact CD1-CD1 4.1Å; L161-L163 PolarHBondContact O-N 3.05Å
162D98.5Very high98.5Very high40 Ų4013 Ų1321%0.2147%0.067CC..THydrogen-bonded Turntrans62.328.3-172.1-48.5-61.8000112.3K24 L158 H159 A160 R191 V192 K193K24-D162 IonicContact NZ-OD1 2.93Å; K24-D162 IonicContact NZ-OD2 3.53Å; K24-D162 PolarHBondContact NZ-OD2 3.13Å; L158-D162 PolarHBondContact O-N 3.2Å; H159-D162 PolarHBondContact O-N 3.37Å; A160-D162 VanDerWaalsContact C-N 3.28Å; D162-R191 HydrophobicContact CB-CG 4.37Å; D162-R191 CarbonylContact O-C 3.52Å; D162-R191 VanDerWaalsContact O-CA 3.27Å; D162-R191 WeakPolarHBondContact O-CA 3.49Å; D162-V192 PolarHBondContact O-N 2.84Å; D162-K193 HydrophobicContact CB-CG 4.15Å
163L98.8Very high98.5Very high2 Ų213 Ų131%0.017%0.067CC..EExtended strand (participates in β ladder)trans-99.1140.2176.2-60.6170.8000110.6F27 I95 V99 L158 H159 L161 K190 R191F27-L163 HydrophobicContact CE2-CD1 3.88Å; F27-L163 HydrophobicContact CE2-CD2 4.5Å; F27-L163 HydrophobicContact CZ-CD1 4.14Å; F27-L163 HydrophobicContact CZ-CD2 4.09Å; F27-L163 HydrophobicContact CZ-CG 4.31Å; I95-L163 HydrophobicContact CD1-CD2 3.98Å; I95-L163 HydrophobicContact CG1-CD2 3.95Å; I95-L163 HydrophobicContact CG2-CD1 3.84Å; I95-L163 HydrophobicContact CG2-CD2 4.11Å; V99-L163 HydrophobicContact CG1-CD1 3.63Å; L158-L163 CarbonylContact C-O 3.59Å; L158-L163 HydrophobicContact CB-CB 4.17Å; L158-L163 HydrophobicContact CD2-CB 4.36Å; L158-L163 HydrophobicContact CD2-CD1 3.79Å; L158-L163 WeakPolarHBondContact O-CB 3.39Å; L158-L163 PolarHBondContact O-N 2.91Å; H159-L163 PolarHBondContact CD2-O 3.4Å; L161-L163 HydrophobicContact CB-CD1 3.94Å; L161-L163 HydrophobicContact CB-CG 3.98Å; L161-L163 HydrophobicContact CD1-CD1 4.1Å; L161-L163 PolarHBondContact O-N 3.05Å; L163-K190 WeakPolarHBondContact CA-O 3.16Å; L163-R191 HydrophobicContact CD2-CB 3.74Å; L163-R191 HydrophobicContact CD2-CG 4.04Å
164I98.7Very high98.5Very high4 Ų413.4 Ų13.42%0.0217%0.069CC..EExtended strand (participates in β ladder)trans-117.6132.6170-47.6175.5000107.2R166 A189 K190 V192 K218 V220 D221I164-R166 HydrophobicContact CB-CG 4.04Å; I164-R166 HydrophobicContact CG2-CG 3.44Å; I164-R166 VanDerWaalsContact CG2-CG 3.44Å; I164-A189 VanDerWaalsContact O-CA 3.29Å; I164-A189 WeakPolarHBondContact O-CA 3.45Å; I164-K190 PolarHBondContact N-O 3.41Å; I164-K190 PolarHBondContact O-N 2.98Å; I164-V192 HydrophobicContact CD1-CB 3.79Å; I164-V192 HydrophobicContact CD1-CG1 4.14Å; I164-V192 HydrophobicContact CD1-CG2 3.99Å; I164-V192 HydrophobicContact CG1-CB 4.29Å; I164-V192 HydrophobicContact CG1-CG2 4.48Å; I164-K218 HydrophobicContact CG1-CB 4.22Å; I164-V220 HydrophobicContact CG2-CG2 3.89Å; I164-D221 VanDerWaalsContact CG2-OD2 3.27Å; I164-D221 WeakPolarHBondContact CG2-OD2 3.46Å
165Y98.8Very high98.4Very high2 Ų213.4 Ų13.41%0.0087%0.069CC..  trans-83.1-46.8-173.1178.9-115.8000113.2F155 D167 L168 N172 V183 T184 D185 F186 F188 A189 D221F155-Y165 HydrophobicContact CE1-CD1 4.07Å; F155-Y165 HydrophobicContact CE1-CG 4.29Å; F155-Y165 HydrophobicContact CZ-CD1 4.42Å; Y165-D167 VanDerWaalsContact C-N 3.27Å; Y165-D167 WeakPolarHBondContact CE1-O 3.34Å; Y165-D167 PolarHBondContact O-N 3.28Å; Y165-D167 VanDerWaalsContact O-N 3.14Å; Y165-L168 HydrophobicContact CD1-CB 4.15Å; Y165-L168 HydrophobicContact CE1-CB 4.17Å; Y165-L168 HydrophobicContact CE1-CD1 4.43Å; Y165-N172 WeakPolarHBondContact OH-CB 3.47Å; Y165-V183 HydrophobicContact CD2-CG1 4.41Å; Y165-V183 HydrophobicContact CE1-CG1 4Å; Y165-V183 HydrophobicContact CE2-CG1 3.68Å; Y165-V183 VanDerWaalsContact CZ-CG1 3.45Å; Y165-V183 WeakPolarHBondContact OH-CG1 3.33Å; Y165-T184 PolarHBondContact OH-O 2.91Å; Y165-D185 WeakPolarHBondContact CE2-O 3.41Å; Y165-D185 PolarHBondContact OH-O 3.44Å; Y165-F186 HydrophobicContact CD2-CE1 4.47Å; Y165-F186 HydrophobicContact CD2-CE2 4.48Å; Y165-F186 HydrophobicContact CD2-CZ 4.44Å; Y165-F186 AromaticContact CE2-CD2 4Å; Y165-F186 HydrophobicContact CE2-CD2 4Å; Y165-F186 HydrophobicContact CE2-CE2 4.05Å; Y165-F186 HydrophobicContact CE2-CG 4.36Å; Y165-F186 HydrophobicContact CE2-CZ 4.45Å; Y165-F188 CarbonylContact O-C 3.55Å; Y165-A189 PolarHBondContact O-N 3.37Å; Y165-D221 PolarHBondContact N-OD1 2.83Å; Y165-D221 PolarHBondContact N-OD2 2.87Å
166R98.4Very high98.4Very high14 Ų1413.9 Ų13.95%0.0537%0.072CC..  trans66.6-0.8169.7-51.6-171.5-67.4164.16.3118.3I164 F188 C200 Y216 V220 D221I164-R166 HydrophobicContact CB-CG 4.04Å; I164-R166 HydrophobicContact CG2-CG 3.44Å; I164-R166 VanDerWaalsContact CG2-CG 3.44Å; R166-F188 HydrophobicContact CB-CB 4.09Å; R166-F188 PolarHBondContact NE-O 3.06Å; R166-F188 PolarHBondContact NH2-O 3.37Å; R166-C200 PolarHBondContact NH1-SG 3.02Å; R166-Y216 PolarHBondContact NH1-OH 2.8Å; R166-V220 HydrophobicContact CG-CG2 4.4Å; R166-D221 PolarHBondContact N-OD1 3.45Å
167D97.6Very high98.3Very high8 Ų816.5 Ų16.54%0.0438%0.084CC..  trans-13543.3175.1-151.933.8000113.5Y165 K169 N172 F188 T202Y165-D167 VanDerWaalsContact C-N 3.27Å; Y165-D167 WeakPolarHBondContact CE1-O 3.34Å; Y165-D167 PolarHBondContact O-N 3.28Å; Y165-D167 VanDerWaalsContact O-N 3.14Å; D167-K169 PolarHBondContact O-N 3.26Å; D167-K169 IonicContact OD1-NZ 3.51Å; D167-K169 PolarHBondContact OD1-NZ 2.88Å; D167-K169 VanDerWaalsContact OD2-CE 3.25Å; D167-K169 WeakPolarHBondContact OD2-CE 3.43Å; D167-K169 IonicContact OD2-NZ 2.67Å; D167-K169 PolarHBondContact OD2-NZ 3.38Å; D167-N172 PolarHBondContact O-ND2 3.4Å; D167-N172 PolarHBondContact OD2-ND2 3.11Å; D167-F188 HydrophobicContact CB-CB 4.41Å; D167-F188 HydrophobicContact CB-CD2 3.73Å; D167-T202 PolarHBondContact OD1-OG1 2.9Å; D167-T202 VanDerWaalsContact OD1-OG1 3.05Å
168L98.8Very high98.2Very high3 Ų320.9 Ų20.92%0.01611%0.105CC..  trans-69.5122.9174-173.374.4000110.2I151 F155 Y165 L173 Y205 A224 L225 L228I151-L168 HydrophobicContact CD1-CD1 4.19Å; I151-L168 HydrophobicContact CG2-CD1 4.01Å; I151-L168 HydrophobicContact CG2-CD2 4Å; F155-L168 HydrophobicContact CE2-CD2 3.96Å; F155-L168 HydrophobicContact CZ-CB 4.13Å; F155-L168 HydrophobicContact CZ-CD1 4.11Å; F155-L168 HydrophobicContact CZ-CD2 3.82Å; F155-L168 HydrophobicContact CZ-CG 4.25Å; Y165-L168 HydrophobicContact CD1-CB 4.15Å; Y165-L168 HydrophobicContact CE1-CB 4.17Å; Y165-L168 HydrophobicContact CE1-CD1 4.43Å; L168-L173 HydrophobicContact CD1-CD1 4.28Å; L168-L173 HydrophobicContact CD1-CD2 3.98Å; L168-L173 HydrophobicContact CD1-CG 4.46Å; L168-Y205 WeakPolarHBondContact O-CD1 3.14Å; L168-Y205 WeakPolarHBondContact O-CE1 3.36Å; L168-Y205 VanDerWaalsContact O-CG 3.23Å; L168-A224 HydrophobicContact CB-CB 3.94Å; L168-A224 HydrophobicContact CD2-CB 4.17Å; L168-L225 HydrophobicContact CD2-CB 4.37Å; L168-L228 HydrophobicContact CD1-CD2 4.1Å; L168-L228 HydrophobicContact CD2-CB 4.03Å; L168-L228 HydrophobicContact CD2-CD2 3.81Å; L168-L228 HydrophobicContact CG-CD2 4.07Å
169K98.4Very high98.2Very high32 Ų3220.8 Ų20.814%0.13910%0.104CC..SBendtrans-165159.2173.760.9-176.6162.2-159.10109.5D167 E171 N172 T202 Y205D167-K169 PolarHBondContact O-N 3.26Å; D167-K169 IonicContact OD1-NZ 3.51Å; D167-K169 PolarHBondContact OD1-NZ 2.88Å; D167-K169 VanDerWaalsContact OD2-CE 3.25Å; D167-K169 WeakPolarHBondContact OD2-CE 3.43Å; D167-K169 IonicContact OD2-NZ 2.67Å; D167-K169 PolarHBondContact OD2-NZ 3.38Å; K169-E171 VanDerWaalsContact CB-OE2 3.27Å; K169-E171 WeakPolarHBondContact CB-OE2 3.47Å; K169-E171 HydrophobicContact CD-CB 4.23Å; K169-E171 WeakPolarHBondContact CD-OE2 3.39Å; K169-E171 HydrophobicContact CG-CB 4.2Å; K169-E171 VanDerWaalsContact CG-OE2 3.27Å; K169-E171 WeakPolarHBondContact CG-OE2 3.48Å; K169-E171 PolarHBondContact O-N 2.98Å; K169-E171 VanDerWaalsContact O-N 3.17Å; K169-N172 VanDerWaalsContact CE-CG 3.45Å; K169-N172 WeakPolarHBondContact CE-ND2 3.2Å; K169-N172 WeakPolarHBondContact CE-OD1 3.47Å; K169-N172 HydrophobicContact CG-CB 4.19Å; K169-N172 PolarHBondContact O-N 3.07Å; K169-N172 VanDerWaalsContact O-N 3.08Å; K169-T202 HydrophobicContact CD-CG2 4.31Å; K169-T202 WeakPolarHBondContact CD-OG1 3.11Å; K169-T202 PolarHBondContact NZ-OG1 3.13Å; K169-Y205 HydrophobicContact CB-CD2 4.15Å; K169-Y205 HydrophobicContact CB-CE2 4.04Å; K169-Y205 HydrophobicContact CB-CG 4.5Å
170P98.4Very high98.2Very high0 Ų020.4 Ų20.40%010%0.102CC..G310 helixtrans-58.6-27.8-176.7-25.235000114.5M129 F130 N172 L173 Y205 L228M129-P170 HydrophobicContact CB-CB 4.38Å; M129-P170 WeakPolarHBondContact CB-O 3.48Å; M129-P170 HydrophobicContact CG-CB 4.35Å; M129-P170 PolarHBondContact N-O 2.84Å; M129-P170 HydrophobicContact SD-CB 4.47Å; F130-P170 HydrophobicContact CB-CB 3.83Å; F130-P170 HydrophobicContact CD2-CB 4.22Å; F130-P170 PolarHBondContact N-O 2.88Å; P170-N172 VanDerWaalsContact C-N 3.31Å; P170-N172 PolarHBondContact O-N 2.62Å; P170-L173 PolarHBondContact O-N 3.46Å; P170-Y205 VanDerWaalsContact CD-OH 3.27Å; P170-Y205 WeakPolarHBondContact CD-OH 3.35Å; P170-L228 HydrophobicContact CG-CD1 3.84Å
171E96.8Very high98.2Very high62 Ų6219 Ų1929%0.299%0.09SC..G310 helixtrans-66.3-33.5178.1-60.189.1151.200111.5F130 K169 L173F130-E171 HydrophobicContact CB-CG 3.96Å; F130-E171 HydrophobicContact CD2-CG 3.97Å; F130-E171 HydrophobicContact CG-CG 3.92Å; K169-E171 VanDerWaalsContact CB-OE2 3.27Å; K169-E171 WeakPolarHBondContact CB-OE2 3.47Å; K169-E171 HydrophobicContact CD-CB 4.23Å; K169-E171 WeakPolarHBondContact CD-OE2 3.39Å; K169-E171 HydrophobicContact CG-CB 4.2Å; K169-E171 VanDerWaalsContact CG-OE2 3.27Å; K169-E171 WeakPolarHBondContact CG-OE2 3.48Å; K169-E171 PolarHBondContact O-N 2.98Å; K169-E171 VanDerWaalsContact O-N 3.17Å; E171-L173 VanDerWaalsContact C-N 3.3Å; E171-L173 PolarHBondContact O-N 3.26Å
172N98.1Very high98.2Very high12 Ų1219.3 Ų19.36%0.0649%0.092CC..G310 helixtrans-89.78.1179.7-70.6-6.8000113.2Y165 D167 K169 P170 T184Y165-N172 WeakPolarHBondContact OH-CB 3.47Å; D167-N172 PolarHBondContact O-ND2 3.4Å; D167-N172 PolarHBondContact OD2-ND2 3.11Å; K169-N172 VanDerWaalsContact CE-CG 3.45Å; K169-N172 WeakPolarHBondContact CE-ND2 3.2Å; K169-N172 WeakPolarHBondContact CE-OD1 3.47Å; K169-N172 HydrophobicContact CG-CB 4.19Å; K169-N172 PolarHBondContact O-N 3.07Å; K169-N172 VanDerWaalsContact O-N 3.08Å; P170-N172 VanDerWaalsContact C-N 3.31Å; P170-N172 PolarHBondContact O-N 2.62Å; N172-T184 WeakPolarHBondContact O-CG2 3.45Å; N172-T184 PolarHBondContact O-N 2.74Å
173L98.8Very high98.3Very high0 Ų017.5 Ų17.50%08%0.082CC..EExtended strand (participates in β ladder)trans-114.4103.7177.9-58.7-175.4000109.4M129 I151 L168 P170 E171 I181 V183 L228M129-L173 HydrophobicContact CB-CB 4.05Å; M129-L173 WeakPolarHBondContact CB-O 3.42Å; M129-L173 HydrophobicContact CE-CB 4.2Å; M129-L173 HydrophobicContact CE-CD1 3.76Å; M129-L173 PolarHBondContact N-O 2.98Å; M129-L173 HydrophobicContact SD-CD1 3.99Å; I151-L173 HydrophobicContact CD1-CD1 4.06Å; I151-L173 HydrophobicContact CD1-CD2 3.66Å; I151-L173 HydrophobicContact CG1-CD1 4.45Å; L168-L173 HydrophobicContact CD1-CD1 4.28Å; L168-L173 HydrophobicContact CD1-CD2 3.98Å; L168-L173 HydrophobicContact CD1-CG 4.46Å; P170-L173 PolarHBondContact O-N 3.46Å; E171-L173 VanDerWaalsContact C-N 3.3Å; E171-L173 PolarHBondContact O-N 3.26Å; L173-I181 HydrophobicContact CB-CD1 4.49Å; L173-I181 HydrophobicContact CB-CG2 4.13Å; L173-I181 HydrophobicContact CD2-CG2 3.86Å; L173-I181 HydrophobicContact CG-CG2 4.43Å; L173-V183 HydrophobicContact CD2-CB 4.34Å; L173-V183 HydrophobicContact CD2-CG1 4.39Å; L173-V183 HydrophobicContact CD2-CG2 3.74Å; L173-L228 HydrophobicContact CD1-CD1 4.09Å; L173-L228 HydrophobicContact CD1-CD2 3.64Å
174L98.5Very high98.2Very high21 Ų2118.5 Ų18.511%0.119%0.089CC..EExtended strand (participates in β ladder)trans-87.4148.1176.5-56.3178.3000110.3V124 G127 E128 I181 Q182 T184V124-L174 HydrophobicContact CB-CB 3.91Å; V124-L174 HydrophobicContact CB-CD1 3.86Å; V124-L174 HydrophobicContact CG1-CB 3.62Å; V124-L174 HydrophobicContact CG2-CB 4.49Å; V124-L174 HydrophobicContact CG2-CD1 4.19Å; G127-L174 WeakPolarHBondContact O-CA 3.37Å; E128-L174 HydrophobicContact CG-CD2 3.91Å; L174-I181 CarbonylContact O-C 3.48Å; L174-I181 WeakPolarHBondContact O-CA 3.33Å; L174-Q182 HydrophobicContact CB-CB 4.47Å; L174-Q182 PolarHBondContact N-O 3.44Å; L174-Q182 PolarHBondContact O-N 3.46Å; L174-T184 HydrophobicContact CD1-CG2 4.02Å; L174-T184 HydrophobicContact CG-CG2 3.94Å
175I98.4Very high98Very high0 Ų020.6 Ų20.60%010%0.1CC..EExtended strand (participates in β ladder)trans-100.2122.7175.2-53.9-174000109V124 G126 G127 H132 Y180 I181 F315 P317V124-I175 VanDerWaalsContact CG1-O 3.3Å; V124-I175 WeakPolarHBondContact CG1-O 3.4Å; G126-I175 WeakPolarHBondContact CA-O 3.29Å; G126-I175 PolarHBondContact N-O 3.27Å; G126-I175 VanDerWaalsContact N-O 3.13Å; G127-I175 PolarHBondContact O-N 2.93Å; H132-I175 HydrophobicContact CB-CD1 4.47Å; I175-Y180 CarbonylContact C-O 3.35Å; I175-Y180 WeakPolarHBondContact CA-O 3.5Å; I175-I181 HydrophobicContact CG1-CD1 4.22Å; I175-F315 HydrophobicContact CD1-CD1 3.98Å; I175-F315 HydrophobicContact CD1-CE1 4.07Å; I175-F315 HydrophobicContact CG2-CD1 4.45Å; I175-P317 HydrophobicContact CG2-CG 4.04Å
176D97.6Very high97.9Very high11 Ų1120.5 Ų20.56%0.05910%0.1CC..  trans-79.7178177.973.323.9000113.1V124 Q178 G179 Y180 Q182 K309 P317V124-D176 HydrophobicContact CG1-CB 4.02Å; D176-Q178 PolarHBondContact O-N 2.86Å; D176-Q178 WeakPolarHBondContact OD1-CA 3.37Å; D176-Q178 WeakPolarHBondContact OD1-CB 3.46Å; D176-Q178 PolarHBondContact OD1-N 2.85Å; D176-G179 PolarHBondContact O-N 2.86Å; D176-G179 PolarHBondContact OD1-N 3.36Å; D176-G179 VanDerWaalsContact OD1-N 3.11Å; D176-Y180 PolarHBondContact N-O 2.89Å; D176-Y180 PolarHBondContact OD1-N 2.95Å; D176-Y180 WeakPolarHBondContact OD2-CB 3.39Å; D176-Q182 HydrophobicContact CB-CG 4.05Å; D176-Q182 PolarHBondContact OD2-NE2 3.28Å; D176-Q182 VanDerWaalsContact OD2-NE2 3.17Å; D176-K309 IonicContact OD2-NZ 2.7Å; D176-K309 PolarHBondContact OD2-NZ 3.23Å; D176-P317 WeakPolarHBondContact O-CD 3.25Å; D176-P317 VanDerWaalsContact O-CG 3.23Å; D176-P317 WeakPolarHBondContact O-CG 3.02Å
177Q96.7Very high97.7Very high84 Ų8420.2 Ų20.239%0.39310%0.1SC..THydrogen-bonded Turntrans-65-18.8-177.3-54.5178.3700113.2P125 V316 F319P125-Q177 HydrophobicContact CG-CG 3.6Å; Q177-V316 WeakPolarHBondContact O-CG1 3.24Å; Q177-F319 HydrophobicContact CB-CE1 3.82Å; Q177-F319 HydrophobicContact CB-CZ 3.7Å; Q177-F319 HydrophobicContact CG-CE1 3.75Å; Q177-F319 HydrophobicContact CG-CE2 4.11Å; Q177-F319 HydrophobicContact CG-CZ 3.38Å
178Q97.4Very high97.6Very high98 Ų9822.1 Ų22.146%0.45811%0.109SC..THydrogen-bonded Turntrans-94.3-0.7175-61.884.754.200112.2D176 Y180 A313D176-Q178 PolarHBondContact O-N 2.86Å; D176-Q178 WeakPolarHBondContact OD1-CA 3.37Å; D176-Q178 WeakPolarHBondContact OD1-CB 3.46Å; D176-Q178 PolarHBondContact OD1-N 2.85Å; Q178-Y180 HydrophobicContact CB-CD2 4Å; Q178-A313 WeakPolarHBondContact O-CB 3.21Å
179G98.3Very high97.6Very high0 Ų022.1 Ų22.10%011%0.109CC..SBendtrans839-176.100000114.4Y147 D176 F315Y147-G179 WeakPolarHBondContact CE1-O 3.43Å; D176-G179 PolarHBondContact O-N 2.86Å; D176-G179 PolarHBondContact OD1-N 3.36Å; D176-G179 VanDerWaalsContact OD1-N 3.11Å; G179-F315 WeakPolarHBondContact CA-O 3.3Å
180Y98.8Very high97.6Very high4 Ų422.4 Ų22.42%0.01611%0.11CC..  trans-89.3160.2177.3-82.4-100.1000111.5F103 F146 Q150 I175 D176 Q178 K309 V311F103-Y180 HydrophobicContact CD1-CD1 4.23Å; F103-Y180 AromaticContact CE1-CD1 3.56Å; F103-Y180 HydrophobicContact CE1-CD1 3.56Å; F103-Y180 HydrophobicContact CE1-CE1 4.07Å; F103-Y180 HydrophobicContact CZ-CD1 4.38Å; F146-Y180 AromaticContact CE2-CE1 3.98Å; F146-Y180 HydrophobicContact CE2-CE1 3.98Å; F146-Y180 HydrophobicContact CE2-CE2 4.37Å; F146-Y180 AromaticContact CE2-CZ 3.83Å; F146-Y180 AromaticContact CZ-CD1 3.92Å; F146-Y180 HydrophobicContact CZ-CD1 3.92Å; F146-Y180 HydrophobicContact CZ-CD2 4.04Å; F146-Y180 AromaticContact CZ-CE1 3.68Å; F146-Y180 HydrophobicContact CZ-CE1 3.68Å; F146-Y180 AromaticContact CZ-CE2 3.8Å; F146-Y180 HydrophobicContact CZ-CE2 3.8Å; F146-Y180 HydrophobicContact CZ-CG 4.1Å; F146-Y180 AromaticContact CZ-CZ 3.61Å; Q150-Y180 HydrophobicContact CG-CD1 4.26Å; Q150-Y180 VanDerWaalsContact OE1-CD1 3.28Å; I175-Y180 CarbonylContact C-O 3.35Å; I175-Y180 WeakPolarHBondContact CA-O 3.5Å; D176-Y180 PolarHBondContact N-O 2.89Å; D176-Y180 PolarHBondContact OD1-N 2.95Å; D176-Y180 WeakPolarHBondContact OD2-CB 3.39Å; Q178-Y180 HydrophobicContact CB-CD2 4Å; Y180-K309 HydrophobicContact CD1-CD 4.33Å; Y180-K309 HydrophobicContact CD1-CG 3.92Å; Y180-K309 HydrophobicContact CD2-CB 4.42Å; Y180-K309 HydrophobicContact CD2-CD 4.29Å; Y180-K309 HydrophobicContact CD2-CG 4.33Å; Y180-K309 HydrophobicContact CE1-CB 4.19Å; Y180-K309 HydrophobicContact CE1-CG 3.91Å; Y180-K309 HydrophobicContact CE2-CB 4.01Å; Y180-K309 HydrophobicContact CE2-CG 4.32Å; Y180-K309 HydrophobicContact CG-CD 4.08Å; Y180-K309 HydrophobicContact CG-CG 4.13Å; Y180-K309 VanDerWaalsContact OH-C 3.3Å; Y180-K309 VanDerWaalsContact OH-CA 3.29Å; Y180-K309 WeakPolarHBondContact OH-CA 3.44Å; Y180-V311 WeakPolarHBondContact CE2-O 3.38Å; Y180-V311 PolarHBondContact OH-N 3.4Å; Y180-V311 VanDerWaalsContact OH-N 3.09Å; Y180-V311 PolarHBondContact OH-O 2.85Å
181I98.7Very high97.5Very high0 Ų025.2 Ų25.20%012%0.121CC..EExtended strand (participates in β ladder)trans-81.1139179.8-61.6-54.5000111.1F103 M129 Y147 I151 L173 L174 I175 V183F103-I181 VanDerWaalsContact CA-O 3.26Å; F103-I181 WeakPolarHBondContact CA-O 3.28Å; F103-I181 WeakPolarHBondContact CB-O 3.48Å; M129-I181 HydrophobicContact CE-CD1 3.34Å; M129-I181 HydrophobicContact CE-CG1 4.13Å; Y147-I181 HydrophobicContact CD1-CD1 3.57Å; Y147-I181 HydrophobicContact CD1-CG1 3.52Å; Y147-I181 HydrophobicContact CE1-CD1 3.82Å; Y147-I181 HydrophobicContact CE1-CG1 4.16Å; Y147-I181 HydrophobicContact CG-CD1 4.06Å; Y147-I181 HydrophobicContact CG-CG1 4.09Å; I151-I181 HydrophobicContact CD1-CG2 4.1Å; L173-I181 HydrophobicContact CB-CD1 4.49Å; L173-I181 HydrophobicContact CB-CG2 4.13Å; L173-I181 HydrophobicContact CD2-CG2 3.86Å; L173-I181 HydrophobicContact CG-CG2 4.43Å; L174-I181 CarbonylContact O-C 3.48Å; L174-I181 WeakPolarHBondContact O-CA 3.33Å; I175-I181 HydrophobicContact CG1-CD1 4.22Å; I181-V183 HydrophobicContact CG2-CG2 4.19Å
182Q98.8Very high97.6Very high9 Ų923.1 Ų23.14%0.04211%0.112CC..EExtended strand (participates in β ladder)trans-119.5110.7161.2-60.6-57.5-29.100108.2P102 L104 V124 L174 D176 T184 K309P102-Q182 PolarHBondContact O-NE2 2.89Å; L104-Q182 PolarHBondContact O-OE1 3.26Å; V124-Q182 HydrophobicContact CG1-CB 4.3Å; V124-Q182 HydrophobicContact CG1-CG 4.15Å; V124-Q182 HydrophobicContact CG2-CB 3.89Å; V124-Q182 HydrophobicContact CG2-CG 3.9Å; L174-Q182 HydrophobicContact CB-CB 4.47Å; L174-Q182 PolarHBondContact N-O 3.44Å; L174-Q182 PolarHBondContact O-N 3.46Å; D176-Q182 HydrophobicContact CB-CG 4.05Å; D176-Q182 PolarHBondContact OD2-NE2 3.28Å; D176-Q182 VanDerWaalsContact OD2-NE2 3.17Å; Q182-T184 PolarHBondContact O-N 3.12Å; Q182-K309 VanDerWaalsContact NE2-NZ 3.15Å
183V98.8Very high97.4Very high2 Ų230.3 Ų30.31%0.01214%0.143CC..EExtended strand (participates in β ladder)trans-71.3127.2173.5-177.40000108.2F103 L104 V105 I151 T154 Y165 L173 I181 F186F103-V183 WeakPolarHBondContact O-CG2 3.29Å; F103-V183 PolarHBondContact O-N 3.02Å; L104-V183 HydrophobicContact CD2-CB 3.71Å; L104-V183 HydrophobicContact CD2-CG1 4.32Å; L104-V183 HydrophobicContact CD2-CG2 4.17Å; V105-V183 WeakPolarHBondContact CG1-O 3.34Å; V105-V183 PolarHBondContact N-O 3.27Å; I151-V183 HydrophobicContact CD1-CG2 3.92Å; T154-V183 HydrophobicContact CG2-CG2 4.19Å; Y165-V183 HydrophobicContact CD2-CG1 4.41Å; Y165-V183 HydrophobicContact CE1-CG1 4Å; Y165-V183 HydrophobicContact CE2-CG1 3.68Å; Y165-V183 VanDerWaalsContact CZ-CG1 3.45Å; Y165-V183 WeakPolarHBondContact OH-CG1 3.33Å; L173-V183 HydrophobicContact CD2-CB 4.34Å; L173-V183 HydrophobicContact CD2-CG1 4.39Å; L173-V183 HydrophobicContact CD2-CG2 3.74Å; I181-V183 HydrophobicContact CG2-CG2 4.19Å; V183-F186 HydrophobicContact CG1-CE2 4.26Å
184T97.6Very high97.2Very high23 Ų2333 Ų3314%0.14117%0.17CC..  trans-116.5-174.9177-168.80000110.9Y165 N172 L174 Q182Y165-T184 PolarHBondContact OH-O 2.91Å; N172-T184 WeakPolarHBondContact O-CG2 3.45Å; N172-T184 PolarHBondContact O-N 2.74Å; L174-T184 HydrophobicContact CD1-CG2 4.02Å; L174-T184 HydrophobicContact CG-CG2 3.94Å; Q182-T184 PolarHBondContact O-N 3.12Å
185D94.3Very high97.1Very high47 Ų4739.7 Ų39.725%0.25119%0.194SC..  trans48.992177.8-1602000115.1K73 Y165 G187K73-D185 IonicContact NZ-OD1 3.7Å; K73-D185 PolarHBondContact NZ-OD1 3.39Å; Y165-D185 WeakPolarHBondContact CE2-O 3.41Å; Y165-D185 PolarHBondContact OH-O 3.44Å; D185-G187 VanDerWaalsContact C-N 3.32Å; D185-G187 PolarHBondContact OD1-N 2.88Å
186F96.9Very high97.1Very high1 Ų140 Ų400%0.00420%0.196CC..  trans-98.519.1179.3-84.6-120.3000111.5E92 I95 L96 V99 L104 L158 Y165 V183 F188 A189E92-F186 HydrophobicContact CG-CB 3.92Å; E92-F186 PolarHBondContact OE1-N 3.38Å; E92-F186 VanDerWaalsContact OE1-N 3.15Å; I95-F186 HydrophobicContact CG2-CD1 3.7Å; I95-F186 HydrophobicContact CG2-CE1 4.03Å; L96-F186 HydrophobicContact CD1-CB 4.04Å; L96-F186 HydrophobicContact CD1-CG 4.47Å; L96-F186 HydrophobicContact CD2-CB 4.07Å; L96-F186 HydrophobicContact CD2-CD1 4.09Å; L96-F186 HydrophobicContact CD2-CD2 3.4Å; L96-F186 VanDerWaalsContact CD2-CD2 3.4Å; L96-F186 HydrophobicContact CD2-CE1 4.38Å; L96-F186 HydrophobicContact CD2-CE2 3.74Å; L96-F186 HydrophobicContact CD2-CG 3.59Å; L96-F186 HydrophobicContact CD2-CZ 4.22Å; L96-F186 HydrophobicContact CG-CB 3.75Å; L96-F186 HydrophobicContact CG-CD1 4.32Å; L96-F186 HydrophobicContact CG-CD2 4.09Å; L96-F186 HydrophobicContact CG-CG 3.81Å; V99-F186 HydrophobicContact CG2-CE1 4.49Å; L104-F186 HydrophobicContact CD1-CZ 4.14Å; L104-F186 HydrophobicContact CD2-CE2 4.15Å; L104-F186 HydrophobicContact CD2-CZ 3.63Å; L104-F186 HydrophobicContact CG-CZ 4.36Å; L158-F186 HydrophobicContact CD2-CE1 4.22Å; Y165-F186 HydrophobicContact CD2-CE1 4.47Å; Y165-F186 HydrophobicContact CD2-CE2 4.48Å; Y165-F186 HydrophobicContact CD2-CZ 4.44Å; Y165-F186 AromaticContact CE2-CD2 4Å; Y165-F186 HydrophobicContact CE2-CD2 4Å; Y165-F186 HydrophobicContact CE2-CE2 4.05Å; Y165-F186 HydrophobicContact CE2-CG 4.36Å; Y165-F186 HydrophobicContact CE2-CZ 4.45Å; V183-F186 HydrophobicContact CG1-CE2 4.26Å; F186-F188 PolarHBondContact O-N 3.38Å; F186-F188 VanDerWaalsContact O-N 3.15Å; F186-A189 HydrophobicContact CB-CB 3.91Å; F186-A189 HydrophobicContact CD1-CB 3.53Å; F186-A189 HydrophobicContact CE1-CB 4.43Å; F186-A189 HydrophobicContact CG-CB 4.05Å; F186-A189 WeakPolarHBondContact O-CB 3.5Å; F186-A189 PolarHBondContact O-N 2.84Å
187G94.5Very high97.1Very high7 Ų747.3 Ų47.37%0.07222%0.223CC..THydrogen-bonded Turntrans-53.9-33.8-178.600000114H88 E92 D185H88-G187 VanDerWaalsContact CB-O 3.26Å; H88-G187 WeakPolarHBondContact CB-O 3.36Å; E92-G187 PolarHBondContact OE1-N 3.48Å; D185-G187 VanDerWaalsContact C-N 3.32Å; D185-G187 PolarHBondContact OD1-N 2.88Å
188F96.1Very high97Very high49 Ų4945.4 Ų45.422%0.21522%0.217CC..THydrogen-bonded Turntrans-103.23.8174.2-56.9-31.7000113.7H88 Y165 R166 D167 F186 K190 C200H88-F188 AromaticContact ND1-CD1 3.93Å; Y165-F188 CarbonylContact O-C 3.55Å; R166-F188 HydrophobicContact CB-CB 4.09Å; R166-F188 PolarHBondContact NE-O 3.06Å; R166-F188 PolarHBondContact NH2-O 3.37Å; D167-F188 HydrophobicContact CB-CB 4.41Å; D167-F188 HydrophobicContact CB-CD2 3.73Å; F186-F188 PolarHBondContact O-N 3.38Å; F186-F188 VanDerWaalsContact O-N 3.15Å; F188-K190 PolarHBondContact O-N 3.47Å; F188-C200 HydrophobicContact CD1-CB 3.99Å; F188-C200 HydrophobicContact CD2-CB 4.08Å; F188-C200 HydrophobicContact CE1-CB 4.23Å; F188-C200 HydrophobicContact CE2-CB 4.33Å; F188-C200 HydrophobicContact CG-CB 3.95Å; F188-C200 HydrophobicContact CZ-CB 4.4Å
189A97.8Very high96.9Very high2 Ų246 Ų462%0.01722%0.223CC..  trans-64.8140.2175.100000110.6I95 I164 Y165 F186I95-A189 VanDerWaalsContact CD1-C 3.45Å; I95-A189 HydrophobicContact CD1-CB 3.69Å; I95-A189 WeakPolarHBondContact CD1-O 3.48Å; I95-A189 HydrophobicContact CG2-CB 4.49Å; I164-A189 VanDerWaalsContact O-CA 3.29Å; I164-A189 WeakPolarHBondContact O-CA 3.45Å; Y165-A189 PolarHBondContact O-N 3.37Å; F186-A189 HydrophobicContact CB-CB 3.91Å; F186-A189 HydrophobicContact CD1-CB 3.53Å; F186-A189 HydrophobicContact CE1-CB 4.43Å; F186-A189 HydrophobicContact CG-CB 4.05Å; F186-A189 WeakPolarHBondContact O-CB 3.5Å; F186-A189 PolarHBondContact O-N 2.84Å
190K98Very high96.7Very high39 Ų3946.4 Ų46.417%0.1723%0.226CC..EExtended strand (participates in β ladder)trans-147.4139.9178.8-171.7168.5178.81520111.8E87 L163 I164 F188 V192E87-K190 IonicContact OE1-NZ 3.72Å; E87-K190 PolarHBondContact OE1-NZ 3.44Å; L163-K190 WeakPolarHBondContact CA-O 3.16Å; I164-K190 PolarHBondContact N-O 3.41Å; I164-K190 PolarHBondContact O-N 2.98Å; F188-K190 PolarHBondContact O-N 3.47Å; K190-V192 HydrophobicContact CB-CG2 4.04Å; K190-V192 HydrophobicContact CD-CG2 4.08Å; K190-V192 HydrophobicContact CG-CG2 3.71Å; K190-V192 PolarHBondContact O-N 2.89Å
191R97.9Very high96.5Very high59 Ų5947.3 Ų47.322%0.22324%0.236CC..EExtended strand (participates in β ladder)trans-80.2114.6170-162.5176.8-179.7-157.3-5.3110.1W31 D162 L163W31-R191 HydrophobicContact CH2-CB 4.31Å; W31-R191 HydrophobicContact CZ2-CB 4.41Å; W31-R191 VanDerWaalsContact NE1-NH1 3.16Å; D162-R191 HydrophobicContact CB-CG 4.37Å; D162-R191 CarbonylContact O-C 3.52Å; D162-R191 VanDerWaalsContact O-CA 3.27Å; D162-R191 WeakPolarHBondContact O-CA 3.49Å; L163-R191 HydrophobicContact CD2-CB 3.74Å; L163-R191 HydrophobicContact CD2-CG 4.04Å
192V96.9Very high96.3Very high17 Ų1748.6 Ų48.610%0.10324%0.244CC..  trans-135.3114.4-172.5-177.60000110D162 I164 K190 R195 T196D162-V192 PolarHBondContact O-N 2.84Å; I164-V192 HydrophobicContact CD1-CB 3.79Å; I164-V192 HydrophobicContact CD1-CG1 4.14Å; I164-V192 HydrophobicContact CD1-CG2 3.99Å; I164-V192 HydrophobicContact CG1-CB 4.29Å; I164-V192 HydrophobicContact CG1-CG2 4.48Å; K190-V192 HydrophobicContact CB-CG2 4.04Å; K190-V192 HydrophobicContact CD-CG2 4.08Å; K190-V192 HydrophobicContact CG-CG2 3.71Å; K190-V192 PolarHBondContact O-N 2.89Å; V192-R195 WeakPolarHBondContact CG1-O 3.46Å; V192-T196 HydrophobicContact CG2-CG2 4.17Å
193K94.4Very high96.2Very high163 Ų16349.9 Ų49.971%0.70925%0.253SS*.SBendtrans-92.8108.3163-66.3-177.2-179.6-179.30108.2D162D162-K193 HydrophobicContact CB-CG 4.15Å
194G95.4Very high96.1Very high56 Ų5652.5 Ų52.558%0.57727%0.265SS*.SBendtrans96-108.8-177.400000112.9N217G194-N217 VanDerWaalsContact O-CB 3.3Å; G194-N217 WeakPolarHBondContact O-CB 3.44Å
195R96.8Very high96.1Very high163 Ų16352.2 Ų52.262%0.61526%0.262SS*.  trans-124.5154.8-170.8-68-177-70.4-178.9-1.6113.4V192 W197 G215 Y216V192-R195 WeakPolarHBondContact CG1-O 3.46Å; R195-W197 HydrophobicContact CB-CH2 3.91Å; R195-W197 HydrophobicContact CB-CZ2 4.14Å; R195-W197 HydrophobicContact CB-CZ3 4.37Å; R195-W197 VanDerWaalsContact O-CZ3 3.26Å; R195-W197 WeakPolarHBondContact O-CZ3 3.33Å; R195-G215 WeakPolarHBondContact CD-O 3.35Å; R195-Y216 CarbonylContact C-O 3.6Å; R195-Y216 WeakPolarHBondContact CA-O 3.35Å
196T97.4Very high96.3Very high7 Ų750.3 Ų50.34%0.04325%0.251CS..BIsolated β-bridgetrans-135.9169.7168.7-162.30000110.6V192 G215 Y216V192-T196 HydrophobicContact CG2-CG2 4.17Å; T196-G215 CarbonylContact O-C 3.58Å; T196-G215 WeakPolarHBondContact O-CA 3.37Å; T196-Y216 HydrophobicContact CG2-CD2 3.89Å; T196-Y216 HydrophobicContact CG2-CE1 4.12Å; T196-Y216 HydrophobicContact CG2-CE2 3.28Å; T196-Y216 VanDerWaalsContact CG2-CZ 3.42Å; T196-Y216 PolarHBondContact N-O 3.35Å; T196-Y216 WeakPolarHBondContact O-CD1 3.4Å; T196-Y216 PolarHBondContact O-N 2.95Å
197W97.5Very high96.4Very high163 Ų16350.3 Ų50.362%0.61725%0.252SS*.  trans-133.9-8.3-167.8-68.8-98000115.2R195 L199R195-W197 HydrophobicContact CB-CH2 3.91Å; R195-W197 HydrophobicContact CB-CZ2 4.14Å; R195-W197 HydrophobicContact CB-CZ3 4.37Å; R195-W197 VanDerWaalsContact O-CZ3 3.26Å; R195-W197 WeakPolarHBondContact O-CZ3 3.33Å; W197-L199 PolarHBondContact O-N 2.84Å
198T94.6Very high96.6Very high45 Ų4550 Ų5028%0.27625%0.249SC..  trans-63.3126.4-176.5-47.80000110.5C200 Y216T198-C200 HydrophobicContact CG2-CB 4.34Å; T198-C200 PolarHBondContact O-N 3.42Å; T198-Y216 VanDerWaalsContact O-CE1 3.31Å; T198-Y216 WeakPolarHBondContact O-CE1 3.36Å; T198-Y216 PolarHBondContact O-OH 3.38Å
199L95.3Very high96.7Very high110 Ų11048 Ų4858%0.57624%0.24SC*.  trans-76.2109.1168-173152.7000108.2W197 I210W197-L199 PolarHBondContact O-N 2.84Å; L199-I210 HydrophobicContact CG-CG2 4.38Å
200C94Very high96.7Very high9 Ų948.2 Ų48.26%0.06124%0.241CC..  trans-154.5161.1-178.559.10000110.1R166 F188 T198 L206R166-C200 PolarHBondContact NH1-SG 3.02Å; F188-C200 HydrophobicContact CD1-CB 3.99Å; F188-C200 HydrophobicContact CD2-CB 4.08Å; F188-C200 HydrophobicContact CE1-CB 4.23Å; F188-C200 HydrophobicContact CE2-CB 4.33Å; F188-C200 HydrophobicContact CG-CB 3.95Å; F188-C200 HydrophobicContact CZ-CB 4.4Å; T198-C200 HydrophobicContact CG2-CB 4.34Å; T198-C200 PolarHBondContact O-N 3.42Å; C200-L206 WeakPolarHBondContact O-CD2 3.4Å
201G94.4Very high96.7Very high23 Ų2347.9 Ų47.924%0.23724%0.241CC..SBendtrans112.9-178.7-175.300000111.7
202T94.4Very high96.6Very high27 Ų2749 Ų4917%0.16625%0.251CS..  trans-97.5135.1-176.9-56.90000110.2D167 K169 E204 Y205 L206D167-T202 PolarHBondContact OD1-OG1 2.9Å; D167-T202 VanDerWaalsContact OD1-OG1 3.05Å; K169-T202 HydrophobicContact CD-CG2 4.31Å; K169-T202 WeakPolarHBondContact CD-OG1 3.11Å; K169-T202 PolarHBondContact NZ-OG1 3.13Å; T202-E204 VanDerWaalsContact C-N 3.34Å; T202-E204 PolarHBondContact O-N 2.93Å; T202-E204 VanDerWaalsContact O-N 3.15Å; T202-Y205 PolarHBondContact O-N 3.41Å; T202-L206 PolarHBondContact O-N 3.47Å
203P96.5Very high96.6Very high36 Ų3652.5 Ų52.523%0.23428%0.276CS..G310 helixtrans-48.6-45.4-167.4-32.337.3000116Y205 L206 I247 Y248 I251P203-Y205 PolarHBondContact O-N 3.39Å; P203-L206 PolarHBondContact O-N 3.21Å; P203-I247 HydrophobicContact CB-CD1 4.4Å; P203-Y248 HydrophobicContact CB-CE1 3.92Å; P203-I251 WeakPolarHBondContact O-CD1 3.14Å
204E97.1Very high96.7Very high57 Ų5750.4 Ų50.427%0.26627%0.266SS..G310 helixtrans-66.3-22.8-178.4-65.278.7-177.600113T202 V227 P237 I247T202-E204 VanDerWaalsContact C-N 3.34Å; T202-E204 PolarHBondContact O-N 2.93Å; T202-E204 VanDerWaalsContact O-N 3.15Å; E204-V227 WeakPolarHBondContact O-CG1 3.49Å; E204-P237 HydrophobicContact CB-CB 4.3Å; E204-P237 HydrophobicContact CB-CG 4.4Å; E204-P237 HydrophobicContact CG-CG 4.13Å; E204-I247 HydrophobicContact CG-CD1 4.21Å
205Y98.5Very high96.8Very high16 Ų1648.6 Ų48.66%0.06325%0.248CC..G310 helixtrans-104.3-6.7-173.8-79.6-95.3000113.6L168 K169 P170 T202 P203 A207 A224 V227 L228 E231L168-Y205 WeakPolarHBondContact O-CD1 3.14Å; L168-Y205 WeakPolarHBondContact O-CE1 3.36Å; L168-Y205 VanDerWaalsContact O-CG 3.23Å; K169-Y205 HydrophobicContact CB-CD2 4.15Å; K169-Y205 HydrophobicContact CB-CE2 4.04Å; K169-Y205 HydrophobicContact CB-CG 4.5Å; P170-Y205 VanDerWaalsContact CD-OH 3.27Å; P170-Y205 WeakPolarHBondContact CD-OH 3.35Å; T202-Y205 PolarHBondContact O-N 3.41Å; P203-Y205 PolarHBondContact O-N 3.39Å; Y205-A207 PolarHBondContact O-N 3.44Å; Y205-A224 HydrophobicContact CD1-CB 4.22Å; Y205-V227 HydrophobicContact CD1-CB 3.72Å; Y205-V227 HydrophobicContact CD1-CG1 3.58Å; Y205-V227 HydrophobicContact CD2-CG1 4.05Å; Y205-V227 HydrophobicContact CE1-CB 3.75Å; Y205-V227 HydrophobicContact CE1-CG1 3.49Å; Y205-V227 VanDerWaalsContact CE1-CG1 3.49Å; Y205-V227 HydrophobicContact CE2-CG1 3.93Å; Y205-V227 HydrophobicContact CG-CB 4.38Å; Y205-V227 HydrophobicContact CG-CG1 3.87Å; Y205-L228 HydrophobicContact CE1-CB 4.02Å; Y205-E231 WeakPolarHBondContact CE2-OE2 3.34Å; Y205-E231 PolarHBondContact OH-OE2 2.95Å
206L98.3Very high96.8Very high7 Ų741 Ų414%0.03722%0.219CC..  trans-64.6134.3-179.2-68.1-176.3000111.7C200 T202 P203 I210 I211 W223 Y248C200-L206 WeakPolarHBondContact O-CD2 3.4Å; T202-L206 PolarHBondContact O-N 3.47Å; P203-L206 PolarHBondContact O-N 3.21Å; L206-I210 HydrophobicContact CD2-CD1 4.34Å; L206-I210 HydrophobicContact CD2-CG2 4.18Å; L206-I211 HydrophobicContact CB-CD1 4.06Å; L206-I211 HydrophobicContact CB-CG1 3.95Å; L206-I211 HydrophobicContact CD1-CG1 4.15Å; L206-W223 PolarHBondContact O-NE1 3.33Å; L206-Y248 HydrophobicContact CD1-CE1 3.84Å
207A98.6Very high96.9Very high1 Ų142.5 Ų42.51%0.00823%0.227CC..  trans-74.2149.5170.900000111.1Y205 E209 I210 I211 V220 W223Y205-A207 PolarHBondContact O-N 3.44Å; A207-E209 HydrophobicContact CB-CG 4.37Å; A207-E209 PolarHBondContact O-N 2.79Å; A207-E209 VanDerWaalsContact O-N 3.16Å; A207-I210 HydrophobicContact CB-CD1 4.39Å; A207-I210 HydrophobicContact CB-CG1 4.38Å; A207-I210 WeakPolarHBondContact O-CB 3.33Å; A207-I210 PolarHBondContact O-N 3.22Å; A207-I211 PolarHBondContact O-N 3.38Å; A207-V220 HydrophobicContact CB-CB 3.95Å; A207-V220 HydrophobicContact CB-CG1 3.82Å; A207-W223 HydrophobicContact CB-CB 3.92Å; A207-W223 HydrophobicContact CB-CD2 4.36Å; A207-W223 HydrophobicContact CB-CG 3.79Å
208P98.6Very high96.9Very high2 Ų238.9 Ų38.91%0.01322%0.215CC..Hα-helixtrans-54.1-38.8-178.6-26.433000113.7I210 I211 L212 W223 I251 V276P208-I210 VanDerWaalsContact C-N 3.3Å; P208-I210 PolarHBondContact O-N 3.45Å; P208-I211 PolarHBondContact O-N 2.96Å; P208-L212 WeakPolarHBondContact O-CB 3.29Å; P208-L212 VanDerWaalsContact O-CG 3.24Å; P208-L212 WeakPolarHBondContact O-CG 3.49Å; P208-L212 PolarHBondContact O-N 3.44Å; P208-W223 HydrophobicContact CG-CE3 4.24Å; P208-W223 HydrophobicContact CG-CH2 3.58Å; P208-W223 HydrophobicContact CG-CZ2 3.98Å; P208-W223 HydrophobicContact CG-CZ3 3.72Å; P208-I251 HydrophobicContact CB-CG2 4.27Å; P208-I251 HydrophobicContact CG-CG2 3.72Å; P208-V276 HydrophobicContact CB-CG1 4.03Å; P208-V276 HydrophobicContact CG-CB 4.37Å; P208-V276 HydrophobicContact CG-CG1 4.08Å; P208-V276 HydrophobicContact CG-CG2 4.15Å
209E98.5Very high97.1Very high6 Ų636.7 Ų36.73%0.02820%0.202CC..Hα-helixtrans-66.8-27.1179.660.2-91.2-148.400113.9A207 S213 K214 V220 L278 R281A207-E209 HydrophobicContact CB-CG 4.37Å; A207-E209 PolarHBondContact O-N 2.79Å; A207-E209 VanDerWaalsContact O-N 3.16Å; E209-S213 PolarHBondContact O-N 3.04Å; E209-K214 HydrophobicContact CB-CB 4.3Å; E209-K214 WeakPolarHBondContact O-CB 3.35Å; E209-K214 PolarHBondContact O-N 3.24Å; E209-V220 HydrophobicContact CG-CG1 4.02Å; E209-L278 HydrophobicContact CB-CD2 4.19Å; E209-L278 HydrophobicContact CG-CD2 4.19Å; E209-R281 IonicContact OE1-CZ 2.64Å; E209-R281 IonicContact OE1-NH1 3.27Å; E209-R281 PolarHBondContact OE1-NH1 3.29Å; E209-R281 IonicContact OE1-NH2 2.85Å; E209-R281 IonicContact OE2-CZ 3.97Å; E209-R281 IonicContact OE2-NH1 2.86Å; E209-R281 IonicContact OE2-NH2 2.65Å; E209-R281 PolarHBondContact OE2-NH2 2.88Å
210I98.1Very high97.3Very high7 Ų731.7 Ų31.74%0.03618%0.176CC..Hα-helixtrans-71.8-47.4173.7-58.3178.3000109.4L199 L206 A207 P208 L212 S213 Y216 V220L199-I210 HydrophobicContact CG-CG2 4.38Å; L206-I210 HydrophobicContact CD2-CD1 4.34Å; L206-I210 HydrophobicContact CD2-CG2 4.18Å; A207-I210 HydrophobicContact CB-CD1 4.39Å; A207-I210 HydrophobicContact CB-CG1 4.38Å; A207-I210 WeakPolarHBondContact O-CB 3.33Å; A207-I210 PolarHBondContact O-N 3.22Å; P208-I210 VanDerWaalsContact C-N 3.3Å; P208-I210 PolarHBondContact O-N 3.45Å; I210-L212 VanDerWaalsContact C-N 3.3Å; I210-L212 PolarHBondContact O-N 2.74Å; I210-S213 PolarHBondContact O-N 3.46Å; I210-Y216 HydrophobicContact CD1-CE2 4.36Å; I210-Y216 HydrophobicContact CG1-CD1 3.82Å; I210-Y216 HydrophobicContact CG1-CD2 4.24Å; I210-Y216 HydrophobicContact CG1-CE1 3.97Å; I210-Y216 HydrophobicContact CG1-CE2 4.39Å; I210-Y216 HydrophobicContact CG1-CG 3.96Å; I210-Y216 HydrophobicContact CG2-CE1 4.4Å; I210-V220 HydrophobicContact CD1-CB 3.91Å; I210-V220 HydrophobicContact CD1-CG1 3.8Å; I210-V220 HydrophobicContact CD1-CG2 4.3Å; I210-V220 HydrophobicContact CG1-CB 4.49Å; I210-V220 HydrophobicContact CG1-CG1 3.83Å
211I97.6Very high97.5Very high32 Ų3231.3 Ų31.316%0.16417%0.174CC..Hα-helixtrans-60-43.3178.9-65.1165.7000110.7L206 A207 P208 S213 Y248 I251 V252L206-I211 HydrophobicContact CB-CD1 4.06Å; L206-I211 HydrophobicContact CB-CG1 3.95Å; L206-I211 HydrophobicContact CD1-CG1 4.15Å; A207-I211 PolarHBondContact O-N 3.38Å; P208-I211 PolarHBondContact O-N 2.96Å; I211-S213 PolarHBondContact O-N 3.26Å; I211-S213 VanDerWaalsContact O-N 3.13Å; I211-Y248 HydrophobicContact CD1-CD1 3.77Å; I211-Y248 HydrophobicContact CD1-CG 4.18Å; I211-Y248 HydrophobicContact CG1-CD1 4.05Å; I211-Y248 HydrophobicContact CG1-CG 4.32Å; I211-Y248 HydrophobicContact CG2-CD2 4.49Å; I211-Y248 HydrophobicContact CG2-CG 4.11Å; I211-I251 HydrophobicContact CD1-CB 3.82Å; I211-I251 HydrophobicContact CD1-CD1 3.8Å; I211-I251 HydrophobicContact CD1-CG1 4.41Å; I211-I251 HydrophobicContact CD1-CG2 3.47Å; I211-I251 VanDerWaalsContact CD1-CG2 3.47Å; I211-V252 HydrophobicContact CB-CG2 4.41Å; I211-V252 HydrophobicContact CG2-CG2 3.98Å
212L96.8Very high97.7Very high83 Ų8330.4 Ų30.444%0.43516%0.163SC..THydrogen-bonded Turntrans-75.68.2177.5-64.1173.6000113.4P208 I210 K214 V252P208-L212 WeakPolarHBondContact O-CB 3.29Å; P208-L212 VanDerWaalsContact O-CG 3.24Å; P208-L212 WeakPolarHBondContact O-CG 3.49Å; P208-L212 PolarHBondContact O-N 3.44Å; I210-L212 VanDerWaalsContact C-N 3.3Å; I210-L212 PolarHBondContact O-N 2.74Å; L212-K214 HydrophobicContact CB-CD 4.41Å; L212-K214 HydrophobicContact CB-CG 4.21Å; L212-K214 PolarHBondContact O-N 2.87Å; L212-K214 VanDerWaalsContact O-N 3.15Å; L212-V252 HydrophobicContact CD1-CG1 4.32Å; L212-V252 HydrophobicContact CD2-CG1 4.25Å; L212-V252 HydrophobicContact CD2-CG2 4.23Å; L212-V252 HydrophobicContact CG-CG2 4.19Å
213S96.1Very high97.9Very high90 Ų9029.1 Ų29.163%0.62916%0.155SC*.THydrogen-bonded Turntrans54.933.3177.1-59.40000113.6E209 I210 I211E209-S213 PolarHBondContact O-N 3.04Å; I210-S213 PolarHBondContact O-N 3.46Å; I211-S213 PolarHBondContact O-N 3.26Å; I211-S213 VanDerWaalsContact O-N 3.13Å
214K96.8Very high98.1Very high118 Ų11827.7 Ų27.751%0.51315%0.146SC..  trans-85.3152.3175.6-63.9-180-179.3175.80109.7E209 L212 Y216E209-K214 HydrophobicContact CB-CB 4.3Å; E209-K214 WeakPolarHBondContact O-CB 3.35Å; E209-K214 PolarHBondContact O-N 3.24Å; L212-K214 HydrophobicContact CB-CD 4.41Å; L212-K214 HydrophobicContact CB-CG 4.21Å; L212-K214 PolarHBondContact O-N 2.87Å; L212-K214 VanDerWaalsContact O-N 3.15Å; K214-Y216 WeakPolarHBondContact O-CD1 3.31Å; K214-Y216 PolarHBondContact O-N 2.94Å; K214-Y216 VanDerWaalsContact O-N 3.16Å
215G96.5Very high98.1Very high18 Ų1825 Ų2519%0.18613%0.134CC..  trans-62.6118166.500000109.7R195 T196R195-G215 WeakPolarHBondContact CD-O 3.35Å; T196-G215 CarbonylContact O-C 3.58Å; T196-G215 WeakPolarHBondContact O-CA 3.37Å
216Y98.1Very high98.2Very high4 Ų424.3 Ų24.32%0.01613%0.131CC..BIsolated β-bridgetrans-116.1165-172.864.2-95.8000111.8R166 R195 T196 T198 I210 K214 V220R166-Y216 PolarHBondContact NH1-OH 2.8Å; R195-Y216 CarbonylContact C-O 3.6Å; R195-Y216 WeakPolarHBondContact CA-O 3.35Å; T196-Y216 HydrophobicContact CG2-CD2 3.89Å; T196-Y216 HydrophobicContact CG2-CE1 4.12Å; T196-Y216 HydrophobicContact CG2-CE2 3.28Å; T196-Y216 VanDerWaalsContact CG2-CZ 3.42Å; T196-Y216 PolarHBondContact N-O 3.35Å; T196-Y216 WeakPolarHBondContact O-CD1 3.4Å; T196-Y216 PolarHBondContact O-N 2.95Å; T198-Y216 VanDerWaalsContact O-CE1 3.31Å; T198-Y216 WeakPolarHBondContact O-CE1 3.36Å; T198-Y216 PolarHBondContact O-OH 3.38Å; I210-Y216 HydrophobicContact CD1-CE2 4.36Å; I210-Y216 HydrophobicContact CG1-CD1 3.82Å; I210-Y216 HydrophobicContact CG1-CD2 4.24Å; I210-Y216 HydrophobicContact CG1-CE1 3.97Å; I210-Y216 HydrophobicContact CG1-CE2 4.39Å; I210-Y216 HydrophobicContact CG1-CG 3.96Å; I210-Y216 HydrophobicContact CG2-CE1 4.4Å; K214-Y216 WeakPolarHBondContact O-CD1 3.31Å; K214-Y216 PolarHBondContact O-N 2.94Å; K214-Y216 VanDerWaalsContact O-N 3.16Å; Y216-V220 HydrophobicContact CD2-CB 4.47Å; Y216-V220 HydrophobicContact CD2-CG1 3.62Å; Y216-V220 HydrophobicContact CD2-CG2 4.03Å; Y216-V220 HydrophobicContact CE2-CG1 4.45Å; Y216-V220 HydrophobicContact CE2-CG2 4.24Å; Y216-V220 HydrophobicContact CG-CG1 3.98Å
217N98.2Very high98.2Very high39 Ų3924 Ų2421%0.20913%0.129CC..  trans-131.9-164.6-177.271.72.7000110.5G194 A219 V220 N284G194-N217 VanDerWaalsContact O-CB 3.3Å; G194-N217 WeakPolarHBondContact O-CB 3.44Å; N217-A219 PolarHBondContact O-N 2.87Å; N217-A219 WeakPolarHBondContact OD1-CB 3.43Å; N217-A219 PolarHBondContact OD1-N 2.79Å; N217-V220 WeakPolarHBondContact O-CG2 3.36Å; N217-V220 PolarHBondContact O-N 3.48Å; N217-N284 PolarHBondContact ND2-OD1 2.84Å
218K98.4Very high98.2Very high86 Ų8623.9 Ų23.937%0.37413%0.129SC..THydrogen-bonded Turntrans-56.5-13.217965.8178.1178.6177.10116.2H159 I164 V220 D221H159-K218 HydrophobicContact CB-CD 3.87Å; H159-K218 PolarHBondContact CE1-O 3.48Å; I164-K218 HydrophobicContact CG1-CB 4.22Å; K218-V220 PolarHBondContact O-N 3.47Å; K218-D221 PolarHBondContact O-N 2.88Å
219A98.7Very high98.2Very high0 Ų023.9 Ų23.90%013%0.129CC..Hα-helixtrans-62-19.5176.600000113.8N217 W222 W223 L278 R281 N284N217-A219 PolarHBondContact O-N 2.87Å; N217-A219 WeakPolarHBondContact OD1-CB 3.43Å; N217-A219 PolarHBondContact OD1-N 2.79Å; A219-W222 PolarHBondContact O-N 3.17Å; A219-W223 PolarHBondContact O-N 3.19Å; A219-L278 HydrophobicContact CB-CB 4.46Å; A219-R281 PolarHBondContact O-NH1 3.21Å; A219-N284 HydrophobicContact CB-CB 3.89Å
220V98.8Very high98.3Very high5 Ų523.9 Ų23.93%0.0313%0.129CC..Hα-helixtrans-69.6-33.4177.5-55.80000112.2I164 R166 A207 E209 I210 Y216 N217 K218 W222 W223 A224I164-V220 HydrophobicContact CG2-CG2 3.89Å; R166-V220 HydrophobicContact CG-CG2 4.4Å; A207-V220 HydrophobicContact CB-CB 3.95Å; A207-V220 HydrophobicContact CB-CG1 3.82Å; E209-V220 HydrophobicContact CG-CG1 4.02Å; I210-V220 HydrophobicContact CD1-CB 3.91Å; I210-V220 HydrophobicContact CD1-CG1 3.8Å; I210-V220 HydrophobicContact CD1-CG2 4.3Å; I210-V220 HydrophobicContact CG1-CB 4.49Å; I210-V220 HydrophobicContact CG1-CG1 3.83Å; Y216-V220 HydrophobicContact CD2-CB 4.47Å; Y216-V220 HydrophobicContact CD2-CG1 3.62Å; Y216-V220 HydrophobicContact CD2-CG2 4.03Å; Y216-V220 HydrophobicContact CE2-CG1 4.45Å; Y216-V220 HydrophobicContact CE2-CG2 4.24Å; Y216-V220 HydrophobicContact CG-CG1 3.98Å; N217-V220 WeakPolarHBondContact O-CG2 3.36Å; N217-V220 PolarHBondContact O-N 3.48Å; K218-V220 PolarHBondContact O-N 3.47Å; V220-W222 VanDerWaalsContact C-N 3.33Å; V220-W222 PolarHBondContact O-N 2.7Å; V220-W223 WeakPolarHBondContact O-CB 3.44Å; V220-W223 PolarHBondContact O-N 2.88Å; V220-A224 PolarHBondContact O-N 2.86Å
221D98.9Very high98.3Very high1 Ų123.9 Ų23.91%0.00513%0.128CC..Hα-helixtrans-67-37.3175.5-73.3-19.5000110.6F155 H159 I164 Y165 R166 K218 A224 L225F155-D221 HydrophobicContact CD1-CB 4.43Å; F155-D221 HydrophobicContact CD2-CB 3.97Å; F155-D221 HydrophobicContact CE1-CB 4.21Å; F155-D221 HydrophobicContact CE2-CB 3.72Å; F155-D221 VanDerWaalsContact CE2-O 3.25Å; F155-D221 WeakPolarHBondContact CE2-O 3.49Å; F155-D221 HydrophobicContact CG-CB 4.32Å; F155-D221 HydrophobicContact CZ-CB 3.84Å; H159-D221 IonicContact CD2-OD2 3.22Å; H159-D221 IonicContact CE1-OD2 3.27Å; H159-D221 IonicContact NE2-OD2 3.69Å; H159-D221 PolarHBondContact NE2-OD2 3.35Å; I164-D221 VanDerWaalsContact CG2-OD2 3.27Å; I164-D221 WeakPolarHBondContact CG2-OD2 3.46Å; Y165-D221 PolarHBondContact N-OD1 2.83Å; Y165-D221 PolarHBondContact N-OD2 2.87Å; R166-D221 PolarHBondContact N-OD1 3.45Å; K218-D221 PolarHBondContact O-N 2.88Å; D221-A224 PolarHBondContact O-N 2.92Å; D221-L225 PolarHBondContact O-N 3.47Å
222W98.9Very high98.3Very high4 Ų422.4 Ų22.42%0.01512%0.121CC..Hα-helixtrans-69.5-32.9176.2-61.1123.5000113.2V152 F155 H159 A219 V220 L225 G226 L273 F282 G283 V289 I292V152-W222 HydrophobicContact CG2-CZ3 4.29Å; F155-W222 HydrophobicContact CB-CH2 3.5Å; F155-W222 VanDerWaalsContact CB-CH2 3.5Å; F155-W222 HydrophobicContact CB-CZ2 3.92Å; F155-W222 HydrophobicContact CB-CZ3 3.89Å; F155-W222 AromaticContact CD2-CE3 4Å; F155-W222 HydrophobicContact CD2-CE3 4Å; F155-W222 HydrophobicContact CD2-CH2 4.33Å; F155-W222 AromaticContact CD2-CZ3 3.86Å; F155-W222 HydrophobicContact CD2-CZ3 3.86Å; F155-W222 HydrophobicContact CG-CH2 4.46Å; F155-W222 HydrophobicContact CG-CZ3 4.41Å; H159-W222 AromaticContact CE1-CE2 3.69Å; H159-W222 AromaticContact CE1-CZ2 3.92Å; H159-W222 AromaticContact CE1-NE1 3.51Å; H159-W222 AromaticContact ND1-CE2 3.73Å; H159-W222 AromaticContact ND1-CZ2 3.7Å; H159-W222 AromaticContact ND1-NE1 3.47Å; H159-W222 PolarHBondContact ND1-NE1 2.96Å; A219-W222 PolarHBondContact O-N 3.17Å; V220-W222 VanDerWaalsContact C-N 3.33Å; V220-W222 PolarHBondContact O-N 2.7Å; W222-L225 HydrophobicContact CE3-CD2 3.76Å; W222-L225 HydrophobicContact CZ3-CD2 3.87Å; W222-G226 PolarHBondContact O-N 2.95Å; W222-L273 HydrophobicContact CB-CD2 4.37Å; W222-F282 WeakPolarHBondContact CB-O 3.47Å; W222-G283 PolarHBondContact NE1-O 3.47Å; W222-V289 HydrophobicContact CH2-CB 4.26Å; W222-V289 HydrophobicContact CH2-CG2 3.59Å; W222-V289 HydrophobicContact CZ2-CB 4.18Å; W222-V289 HydrophobicContact CZ2-CG2 4.02Å; W222-V289 HydrophobicContact CZ3-CG2 4.43Å; W222-I292 HydrophobicContact CD2-CD1 3.73Å; W222-I292 HydrophobicContact CE3-CD1 3.29Å; W222-I292 HydrophobicContact CG-CD1 4.41Å; W222-I292 HydrophobicContact CH2-CD1 4.18Å; W222-I292 HydrophobicContact CZ3-CD1 3.54Å
223W98.9Very high98.4Very high0 Ų018.5 Ų18.50%010%0.101CC..Hα-helixtrans-62.5-49.5168.7173.2-84.7000110.8L206 A207 P208 A219 V220 L225 G226 V227 F239 I251 L274 V276L206-W223 PolarHBondContact O-NE1 3.33Å; A207-W223 HydrophobicContact CB-CB 3.92Å; A207-W223 HydrophobicContact CB-CD2 4.36Å; A207-W223 HydrophobicContact CB-CG 3.79Å; P208-W223 HydrophobicContact CG-CE3 4.24Å; P208-W223 HydrophobicContact CG-CH2 3.58Å; P208-W223 HydrophobicContact CG-CZ2 3.98Å; P208-W223 HydrophobicContact CG-CZ3 3.72Å; A219-W223 PolarHBondContact O-N 3.19Å; V220-W223 WeakPolarHBondContact O-CB 3.44Å; V220-W223 PolarHBondContact O-N 2.88Å; W223-L225 VanDerWaalsContact C-N 3.26Å; W223-L225 PolarHBondContact O-N 2.92Å; W223-G226 WeakPolarHBondContact O-CA 3.28Å; W223-G226 PolarHBondContact O-N 3.08Å; W223-V227 PolarHBondContact O-N 3.28Å; W223-F239 HydrophobicContact CH2-CE2 4Å; W223-F239 AromaticContact CH2-CZ 3.9Å; W223-F239 HydrophobicContact CH2-CZ 3.9Å; W223-F239 HydrophobicContact CZ2-CD2 4.27Å; W223-F239 AromaticContact CZ2-CE2 3.37Å; W223-F239 HydrophobicContact CZ2-CE2 3.37Å; W223-F239 AromaticContact CZ2-CZ 3.75Å; W223-F239 HydrophobicContact CZ2-CZ 3.75Å; W223-I251 HydrophobicContact CH2-CG2 4.33Å; W223-I251 HydrophobicContact CZ2-CG2 3.72Å; W223-L274 HydrophobicContact CD2-CD2 4.08Å; W223-L274 HydrophobicContact CE3-CD2 4.32Å; W223-L274 HydrophobicContact CH2-CB 4.46Å; W223-L274 HydrophobicContact CZ2-CD2 4.28Å; W223-L274 HydrophobicContact CZ3-CB 4.24Å; W223-L274 WeakPolarHBondContact CZ3-O 3.27Å; W223-V276 HydrophobicContact CH2-CG2 4.34Å; W223-V276 HydrophobicContact CZ3-CG2 4.31Å
224A98.9Very high98.6Very high6 Ų614.7 Ų14.75%0.057%0.074CC..Hα-helixtrans-60.4-35.8179.500000111.9L168 Y205 V220 D221 G226 V227 L228L168-A224 HydrophobicContact CB-CB 3.94Å; L168-A224 HydrophobicContact CD2-CB 4.17Å; Y205-A224 HydrophobicContact CD1-CB 4.22Å; V220-A224 PolarHBondContact O-N 2.86Å; D221-A224 PolarHBondContact O-N 2.92Å; A224-G226 VanDerWaalsContact C-N 3.31Å; A224-G226 PolarHBondContact O-N 3.05Å; A224-V227 PolarHBondContact O-N 3.14Å; A224-L228 WeakPolarHBondContact O-CB 3.38Å; A224-L228 PolarHBondContact O-N 2.99Å
225L98.9Very high98.6Very high1 Ų19.5 Ų9.51%0.0056%0.055CC..Hα-helixtrans-59.1-41.8170.4176.165000111.7A148 I151 V152 F155 L168 D221 W222 W223 V227 L228 V229 L273A148-L225 HydrophobicContact CB-CD1 4.46Å; I151-L225 HydrophobicContact CB-CD1 4.07Å; I151-L225 HydrophobicContact CG2-CD1 3.86Å; V152-L225 HydrophobicContact CG2-CD2 3.56Å; F155-L225 HydrophobicContact CE2-CB 4.25Å; L168-L225 HydrophobicContact CD2-CB 4.37Å; D221-L225 PolarHBondContact O-N 3.47Å; W222-L225 HydrophobicContact CE3-CD2 3.76Å; W222-L225 HydrophobicContact CZ3-CD2 3.87Å; W223-L225 VanDerWaalsContact C-N 3.26Å; W223-L225 PolarHBondContact O-N 2.92Å; L225-V227 VanDerWaalsContact C-N 3.33Å; L225-V227 PolarHBondContact O-N 3.15Å; L225-L228 PolarHBondContact O-N 2.98Å; L225-V229 HydrophobicContact CD1-CG2 3.93Å; L225-V229 HydrophobicContact CG-CG2 4.3Å; L225-V229 WeakPolarHBondContact O-CB 3.3Å; L225-V229 VanDerWaalsContact O-CG2 3.27Å; L225-V229 WeakPolarHBondContact O-CG2 3.49Å; L225-V229 PolarHBondContact O-N 3.29Å; L225-L273 HydrophobicContact CD2-CD1 4.31Å; L225-L273 HydrophobicContact CG-CD1 4.28Å
226G98.9Very high98.7Very high0 Ų013.2 Ų13.20%06%0.064CC..Hα-helixtrans-60.3-42.5174.400000112.5W222 W223 A224 Y230 L270W222-G226 PolarHBondContact O-N 2.95Å; W223-G226 WeakPolarHBondContact O-CA 3.28Å; W223-G226 PolarHBondContact O-N 3.08Å; A224-G226 VanDerWaalsContact C-N 3.31Å; A224-G226 PolarHBondContact O-N 3.05Å; G226-Y230 WeakPolarHBondContact O-CB 3.16Å; G226-Y230 PolarHBondContact O-N 3.46Å; G226-Y230 VanDerWaalsContact O-N 3.08Å; G226-L270 WeakPolarHBondContact O-CD2 3.34Å
227V98.9Very high98.7Very high0 Ų013.7 Ų13.70%07%0.067CC..Hα-helixtrans-62.9-47.7175.7-179.40000110.2E204 Y205 W223 A224 L225 V229 Y230 E231 P237 P238 L274E204-V227 WeakPolarHBondContact O-CG1 3.49Å; Y205-V227 HydrophobicContact CD1-CB 3.72Å; Y205-V227 HydrophobicContact CD1-CG1 3.58Å; Y205-V227 HydrophobicContact CD2-CG1 4.05Å; Y205-V227 HydrophobicContact CE1-CB 3.75Å; Y205-V227 HydrophobicContact CE1-CG1 3.49Å; Y205-V227 VanDerWaalsContact CE1-CG1 3.49Å; Y205-V227 HydrophobicContact CE2-CG1 3.93Å; Y205-V227 HydrophobicContact CG-CB 4.38Å; Y205-V227 HydrophobicContact CG-CG1 3.87Å; W223-V227 PolarHBondContact O-N 3.28Å; A224-V227 PolarHBondContact O-N 3.14Å; L225-V227 VanDerWaalsContact C-N 3.33Å; L225-V227 PolarHBondContact O-N 3.15Å; V227-V229 PolarHBondContact O-N 2.75Å; V227-Y230 PolarHBondContact O-N 3.3Å; V227-E231 WeakPolarHBondContact O-CB 3.37Å; V227-E231 PolarHBondContact O-N 3.47Å; V227-P237 HydrophobicContact CG1-CB 4.47Å; V227-P238 HydrophobicContact CB-CG 4.42Å; V227-P238 HydrophobicContact CG1-CG 4.13Å; V227-P238 HydrophobicContact CG2-CG 4.3Å; V227-L274 HydrophobicContact CG2-CD2 3.74Å
228L98.9Very high98.7Very high0 Ų012.6 Ų12.60%06%0.063CC..Hα-helixtrans-60.5-47.4179.5-176.668.9000112.2M129 I151 L168 P170 L173 Y205 A224 L225 Y230 E231 M232M129-L228 HydrophobicContact SD-CD1 4.42Å; I151-L228 HydrophobicContact CG1-CD2 4.08Å; L168-L228 HydrophobicContact CD1-CD2 4.1Å; L168-L228 HydrophobicContact CD2-CB 4.03Å; L168-L228 HydrophobicContact CD2-CD2 3.81Å; L168-L228 HydrophobicContact CG-CD2 4.07Å; P170-L228 HydrophobicContact CG-CD1 3.84Å; L173-L228 HydrophobicContact CD1-CD1 4.09Å; L173-L228 HydrophobicContact CD1-CD2 3.64Å; Y205-L228 HydrophobicContact CE1-CB 4.02Å; A224-L228 WeakPolarHBondContact O-CB 3.38Å; A224-L228 PolarHBondContact O-N 2.99Å; L225-L228 PolarHBondContact O-N 2.98Å; L228-Y230 VanDerWaalsContact C-N 3.33Å; L228-Y230 PolarHBondContact O-N 2.93Å; L228-E231 PolarHBondContact O-N 2.88Å; L228-M232 HydrophobicContact CD1-CG 4.44Å; L228-M232 HydrophobicContact CD2-CE 4.39Å; L228-M232 HydrophobicContact CG-CE 4.06Å; L228-M232 HydrophobicContact CG-CG 4.45Å; L228-M232 HydrophobicContact CG-SD 4.41Å; L228-M232 WeakPolarHBondContact O-CB 3.48Å; L228-M232 WeakPolarHBondContact O-CG 3.27Å; L228-M232 PolarHBondContact O-N 3.39Å
229V98.9Very high98.7Very high1 Ų18.6 Ų8.61%0.0065%0.045CC..Hα-helixtrans-63.6-40.7-180171.30000111A148 L225 V227 M232 A233 L266 L270 W297A148-V229 HydrophobicContact CB-CG2 3.66Å; L225-V229 HydrophobicContact CD1-CG2 3.93Å; L225-V229 HydrophobicContact CG-CG2 4.3Å; L225-V229 WeakPolarHBondContact O-CB 3.3Å; L225-V229 VanDerWaalsContact O-CG2 3.27Å; L225-V229 WeakPolarHBondContact O-CG2 3.49Å; L225-V229 PolarHBondContact O-N 3.29Å; V227-V229 PolarHBondContact O-N 2.75Å; V229-M232 HydrophobicContact CG2-CE 4.14Å; V229-A233 WeakPolarHBondContact O-CB 3.45Å; V229-A233 PolarHBondContact O-N 3.37Å; V229-L266 HydrophobicContact CG1-CD1 3.62Å; V229-L270 HydrophobicContact CB-CD2 4.01Å; V229-L270 HydrophobicContact CG1-CD2 3.94Å; V229-W297 HydrophobicContact CG1-CH2 3.88Å; V229-W297 HydrophobicContact CG1-CZ2 4.4Å; V229-W297 HydrophobicContact CG1-CZ3 4.25Å
230Y98.9Very high98.4Very high7 Ų714.1 Ų14.13%0.0277%0.069CC..Hα-helixtrans-60.2-51.2173-175.4-68.3000110.3G226 V227 L228 M232 A233 A234 Y236 P238 V256 R257 F258 F262 L270G226-Y230 WeakPolarHBondContact O-CB 3.16Å; G226-Y230 PolarHBondContact O-N 3.46Å; G226-Y230 VanDerWaalsContact O-N 3.08Å; V227-Y230 PolarHBondContact O-N 3.3Å; L228-Y230 VanDerWaalsContact C-N 3.33Å; L228-Y230 PolarHBondContact O-N 2.93Å; Y230-M232 PolarHBondContact O-N 2.99Å; Y230-A233 PolarHBondContact O-N 3.22Å; Y230-A234 HydrophobicContact CD1-CB 3.85Å; Y230-A234 HydrophobicContact CE1-CB 3.57Å; Y230-A234 VanDerWaalsContact O-CB 3.26Å; Y230-A234 WeakPolarHBondContact O-CB 3.27Å; Y230-A234 PolarHBondContact O-N 3.47Å; Y230-Y236 VanDerWaalsContact CD1-O 3.27Å; Y230-Y236 WeakPolarHBondContact CD1-O 3.27Å; Y230-Y236 HydrophobicContact CE1-CD2 4.08Å; Y230-Y236 AromaticContact CE1-CE2 3.8Å; Y230-Y236 HydrophobicContact CE1-CE2 3.8Å; Y230-Y236 WeakPolarHBondContact CE1-O 3.48Å; Y230-P238 HydrophobicContact CD1-CB 3.89Å; Y230-P238 HydrophobicContact CD1-CG 4.2Å; Y230-P238 HydrophobicContact CD2-CB 3.75Å; Y230-P238 HydrophobicContact CD2-CG 4.39Å; Y230-P238 HydrophobicContact CE1-CB 4.06Å; Y230-P238 HydrophobicContact CE2-CB 3.9Å; Y230-P238 HydrophobicContact CG-CB 3.76Å; Y230-P238 HydrophobicContact CG-CG 4.01Å; Y230-V256 HydrophobicContact CD2-CG1 4.08Å; Y230-V256 HydrophobicContact CE2-CG1 3.71Å; Y230-R257 WeakPolarHBondContact CE2-O 3.25Å; Y230-R257 PolarHBondContact OH-O 3.48Å; Y230-F258 HydrophobicContact CD2-CD1 4.08Å; Y230-F258 HydrophobicContact CD2-CE1 4.14Å; Y230-F258 AromaticContact CE2-CD1 3.82Å; Y230-F258 HydrophobicContact CE2-CD1 3.82Å; Y230-F258 HydrophobicContact CE2-CE1 4.19Å; Y230-F262 AromaticContact CD2-CE2 3.91Å; Y230-F262 HydrophobicContact CD2-CE2 3.91Å; Y230-F262 HydrophobicContact CD2-CZ 4.45Å; Y230-F262 HydrophobicContact CE2-CE2 4.13Å; Y230-F262 HydrophobicContact CG-CE2 4.29Å; Y230-F262 HydrophobicContact CG-CZ 4.46Å; Y230-L270 HydrophobicContact CD2-CD1 4.02Å
231E98.8Very high98.3Very high7 Ų714.9 Ų14.93%0.0338%0.076CC..Hα-helixtrans-63-42.4-176-179.3161.4-155.900112.3L133 R134 Y205 V227 L228 A233 G235 Y236L133-E231 HydrophobicContact CD2-CG 3.94Å; R134-E231 IonicContact CZ-OE1 3.53Å; R134-E231 IonicContact NH2-OE1 2.7Å; R134-E231 PolarHBondContact NH2-OE1 3.5Å; Y205-E231 WeakPolarHBondContact CE2-OE2 3.34Å; Y205-E231 PolarHBondContact OH-OE2 2.95Å; V227-E231 WeakPolarHBondContact O-CB 3.37Å; V227-E231 PolarHBondContact O-N 3.47Å; L228-E231 PolarHBondContact O-N 2.88Å; E231-A233 VanDerWaalsContact C-N 3.32Å; E231-A233 PolarHBondContact O-N 3.15Å; E231-G235 VanDerWaalsContact O-CA 3.26Å; E231-G235 WeakPolarHBondContact O-CA 3.12Å; E231-G235 PolarHBondContact O-N 3.37Å; E231-Y236 WeakPolarHBondContact CA-O 3.39Å
232M98.9Very high98Very high0 Ų022 Ų220%011%0.114CC..Hα-helixtrans-58.6-43.8174.7-73.9-170.6-63.100112M129 F139 A144 Y147 A148 L228 V229 Y230M129-M232 HydrophobicContact CE-SD 4.1Å; M129-M232 HydrophobicContact SD-CG 4.06Å; M129-M232 HydrophobicContact SD-SD 3.74Å; F139-M232 HydrophobicContact CD2-CB 3.97Å; F139-M232 HydrophobicContact CD2-CG 3.96Å; F139-M232 HydrophobicContact CD2-SD 4.18Å; F139-M232 HydrophobicContact CE2-CG 4.27Å; F139-M232 HydrophobicContact CE2-SD 4.44Å; F139-M232 PolarHBondContact N-O 3.31Å; A144-M232 HydrophobicContact CB-CB 3.82Å; A144-M232 HydrophobicContact CB-CE 4.15Å; A144-M232 HydrophobicContact CB-SD 4.46Å; A144-M232 WeakPolarHBondContact O-CE 3.26Å; Y147-M232 HydrophobicContact CD2-SD 4.03Å; A148-M232 HydrophobicContact CB-CE 4.25Å; L228-M232 HydrophobicContact CD1-CG 4.44Å; L228-M232 HydrophobicContact CD2-CE 4.39Å; L228-M232 HydrophobicContact CG-CE 4.06Å; L228-M232 HydrophobicContact CG-CG 4.45Å; L228-M232 HydrophobicContact CG-SD 4.41Å; L228-M232 WeakPolarHBondContact O-CB 3.48Å; L228-M232 WeakPolarHBondContact O-CG 3.27Å; L228-M232 PolarHBondContact O-N 3.39Å; V229-M232 HydrophobicContact CG2-CE 4.14Å; Y230-M232 PolarHBondContact O-N 2.99Å
233A98.8Very high97.8Very high2 Ų227.2 Ų27.22%0.01714%0.139CC..Hα-helixtrans-81.4-29.4-175.300000113.7R138 V229 Y230 E231 F262 L266R138-A233 WeakPolarHBondContact CD-O 3.36Å; R138-A233 PolarHBondContact NH1-O 2.78Å; V229-A233 WeakPolarHBondContact O-CB 3.45Å; V229-A233 PolarHBondContact O-N 3.37Å; Y230-A233 PolarHBondContact O-N 3.22Å; E231-A233 VanDerWaalsContact C-N 3.32Å; E231-A233 PolarHBondContact O-N 3.15Å; A233-F262 HydrophobicContact CB-CD1 4.37Å; A233-F262 HydrophobicContact CB-CE1 3.53Å; A233-F262 HydrophobicContact CB-CZ 3.62Å; A233-L266 HydrophobicContact CB-CD2 3.85Å
234A98.6Very high97.6Very high9 Ų929.9 Ų29.97%0.07416%0.156CC..Hα-helixtrans-94.3-30.4-17900000113.5Y230 Y236 P259 F262Y230-A234 HydrophobicContact CD1-CB 3.85Å; Y230-A234 HydrophobicContact CE1-CB 3.57Å; Y230-A234 VanDerWaalsContact O-CB 3.26Å; Y230-A234 WeakPolarHBondContact O-CB 3.27Å; Y230-A234 PolarHBondContact O-N 3.47Å; A234-Y236 HydrophobicContact CB-CD1 4.11Å; A234-Y236 HydrophobicContact CB-CE1 3.91Å; A234-Y236 HydrophobicContact CB-CE2 4.34Å; A234-Y236 HydrophobicContact CB-CG 4.43Å; A234-Y236 WeakPolarHBondContact O-CD1 3.27Å; A234-P259 HydrophobicContact CB-CG 4.12Å; A234-F262 HydrophobicContact CB-CE1 4.11Å; A234-F262 HydrophobicContact CB-CZ 3.81Å
235G98.3Very high97.4Very high10 Ų1034.6 Ų34.610%0.10318%0.18CC..SBendtrans88.10.1-169.800000114.8R134 G137 E231R134-G235 PolarHBondContact NH1-O 2.82Å; G137-G235 WeakPolarHBondContact O-CA 3.35Å; E231-G235 VanDerWaalsContact O-CA 3.26Å; E231-G235 WeakPolarHBondContact O-CA 3.12Å; E231-G235 PolarHBondContact O-N 3.37Å
236Y98.1Very high97.4Very high95 Ų9538.4 Ų38.437%0.37320%0.197SC..SBendtrans-151.5151.7179.758.4-93.3000110.1Y230 E231 A234 F240Y230-Y236 VanDerWaalsContact CD1-O 3.27Å; Y230-Y236 WeakPolarHBondContact CD1-O 3.27Å; Y230-Y236 HydrophobicContact CE1-CD2 4.08Å; Y230-Y236 AromaticContact CE1-CE2 3.8Å; Y230-Y236 HydrophobicContact CE1-CE2 3.8Å; Y230-Y236 WeakPolarHBondContact CE1-O 3.48Å; E231-Y236 WeakPolarHBondContact CA-O 3.39Å; A234-Y236 HydrophobicContact CB-CD1 4.11Å; A234-Y236 HydrophobicContact CB-CE1 3.91Å; A234-Y236 HydrophobicContact CB-CE2 4.34Å; A234-Y236 HydrophobicContact CB-CG 4.43Å; A234-Y236 WeakPolarHBondContact O-CD1 3.27Å; Y236-F240 HydrophobicContact CD2-CD1 4.31Å; Y236-F240 HydrophobicContact CD2-CE1 4.14Å; Y236-F240 HydrophobicContact CE2-CE1 4.42Å
237P98.1Very high97.3Very high14 Ų1438.6 Ų38.69%0.09120%0.198CC..  trans-72.5153.5-177.227.7-31.1000112E204 V227 F239 F240E204-P237 HydrophobicContact CB-CB 4.3Å; E204-P237 HydrophobicContact CB-CG 4.4Å; E204-P237 HydrophobicContact CG-CG 4.13Å; V227-P237 HydrophobicContact CG1-CB 4.47Å; P237-F239 PolarHBondContact O-N 3.46Å; P237-F240 HydrophobicContact CG-CB 4.19Å
238P98.3Very high97.2Very high17 Ų1741.4 Ų41.411%0.1121%0.209CC..SBendtrans-64.5-27.4-177.823.6-32.2000113.5V227 Y230 V256 L274V227-P238 HydrophobicContact CB-CG 4.42Å; V227-P238 HydrophobicContact CG1-CG 4.13Å; V227-P238 HydrophobicContact CG2-CG 4.3Å; Y230-P238 HydrophobicContact CD1-CB 3.89Å; Y230-P238 HydrophobicContact CD1-CG 4.2Å; Y230-P238 HydrophobicContact CD2-CB 3.75Å; Y230-P238 HydrophobicContact CD2-CG 4.39Å; Y230-P238 HydrophobicContact CE1-CB 4.06Å; Y230-P238 HydrophobicContact CE2-CB 3.9Å; Y230-P238 HydrophobicContact CG-CB 3.76Å; Y230-P238 HydrophobicContact CG-CG 4.01Å; P238-V256 HydrophobicContact CB-CG1 4.04Å; P238-L274 HydrophobicContact CB-CD1 4.29Å; P238-L274 HydrophobicContact CG-CD1 4.14Å
239F97.8Very high97.2Very high1 Ų147.7 Ų47.70%0.00424%0.239CC..SBendtrans-122.8100.2179.3-45.4-75000108.6W223 P237 I247 K250 I251 V256 L274W223-F239 HydrophobicContact CH2-CE2 4Å; W223-F239 AromaticContact CH2-CZ 3.9Å; W223-F239 HydrophobicContact CH2-CZ 3.9Å; W223-F239 HydrophobicContact CZ2-CD2 4.27Å; W223-F239 AromaticContact CZ2-CE2 3.37Å; W223-F239 HydrophobicContact CZ2-CE2 3.37Å; W223-F239 AromaticContact CZ2-CZ 3.75Å; W223-F239 HydrophobicContact CZ2-CZ 3.75Å; P237-F239 PolarHBondContact O-N 3.46Å; F239-I247 HydrophobicContact CB-CG2 4.28Å; F239-K250 HydrophobicContact CB-CB 4.38Å; F239-K250 HydrophobicContact CD1-CB 4.01Å; F239-I251 HydrophobicContact CB-CD1 4.41Å; F239-I251 HydrophobicContact CB-CG1 3.71Å; F239-I251 HydrophobicContact CD1-CG1 4.18Å; F239-I251 HydrophobicContact CD2-CD1 4.49Å; F239-I251 HydrophobicContact CD2-CG1 3.58Å; F239-I251 HydrophobicContact CE2-CG1 4.21Å; F239-I251 HydrophobicContact CG-CG1 3.55Å; F239-V256 HydrophobicContact CE1-CG2 3.66Å; F239-V256 HydrophobicContact CE2-CG2 4.38Å; F239-V256 HydrophobicContact CZ-CG2 3.41Å; F239-V256 VanDerWaalsContact CZ-CG2 3.41Å; F239-L274 HydrophobicContact CE2-CD2 4.36Å
240F93.2Very high97.1Very high116 Ų11651.9 Ų51.951%0.50926%0.257SS..  trans-130.4146.1175.472.8-86.5000110.2Y236 P237 K250Y236-F240 HydrophobicContact CD2-CD1 4.31Å; Y236-F240 HydrophobicContact CD2-CE1 4.14Å; Y236-F240 HydrophobicContact CE2-CE1 4.42Å; P237-F240 HydrophobicContact CG-CB 4.19Å; F240-K250 PolarHBondContact O-NZ 3.2Å
241A95.3Very high97.1Very high22 Ų2251.5 Ų51.518%0.18226%0.255CS..  trans-164.7167.5174.400000108.7Q243 Q246 I247A241-Q243 VanDerWaalsContact C-N 3.32Å; A241-Q243 PolarHBondContact O-N 2.93Å; A241-Q246 HydrophobicContact CB-CB 3.49Å; A241-Q246 VanDerWaalsContact CB-CB 3.49Å; A241-I247 HydrophobicContact CB-CG1 3.83Å
242D93.8Very high97Very high150 Ų15053.7 Ų53.780%0.80227%0.269SS*.SBendtrans-72.4-28.4-176.6-58.4-30.4000112.7
243Q94.9Very high96.9Very high113 Ų11356.6 Ų56.653%0.52829%0.289SS..SBendtrans-118.1136.4-178.5-64.1-60.7-43.700111.1A241 I245 Q246 I247A241-Q243 VanDerWaalsContact C-N 3.32Å; A241-Q243 PolarHBondContact O-N 2.93Å; Q243-I245 HydrophobicContact CB-CG2 4.14Å; Q243-I245 PolarHBondContact O-N 3.41Å; Q243-I245 VanDerWaalsContact O-N 3.08Å; Q243-Q246 HydrophobicContact CB-CG 4.33Å; Q243-Q246 WeakPolarHBondContact O-CB 2.87Å; Q243-Q246 PolarHBondContact O-N 2.85Å; Q243-I247 PolarHBondContact O-N 2.69Å
244P94.1Very high96.6Very high57 Ų5757.8 Ų57.837%0.3730%0.302SS..Hα-helixtrans-52.7-36180-29.835.5000114.1Q246 I247 Y248P244-Q246 VanDerWaalsContact C-N 3.3Å; P244-Q246 PolarHBondContact O-N 2.7Å; P244-I247 WeakPolarHBondContact O-CB 3.25Å; P244-I247 PolarHBondContact O-N 2.91Å; P244-I247 VanDerWaalsContact O-N 3.15Å; P244-Y248 HydrophobicContact CB-CE2 4.23Å; P244-Y248 WeakPolarHBondContact O-CD1 3.32Å; P244-Y248 WeakPolarHBondContact O-CD2 3.2Å; P244-Y248 PolarHBondContact O-N 2.95Å
245I95.4Very high96.3Very high105 Ų10565.6 Ų65.654%0.53833%0.334SS..Hα-helixtrans-61-38.1178.3-168.161.6000112.7Q243 Y248 E249Q243-I245 HydrophobicContact CB-CG2 4.14Å; Q243-I245 PolarHBondContact O-N 3.41Å; Q243-I245 VanDerWaalsContact O-N 3.08Å; I245-Y248 HydrophobicContact CD1-CD2 4.45Å; I245-Y248 WeakPolarHBondContact O-CB 3.36Å; I245-Y248 PolarHBondContact O-N 3.39Å; I245-E249 WeakPolarHBondContact O-CG 3.25Å; I245-E249 PolarHBondContact O-N 2.94Å
246Q97.4Very high96.2Very high80 Ų8066.5 Ų66.537%0.37434%0.337SS..Hα-helixtrans-72.1-33.5177.8-64172.1-18.100111.3A241 Q243 P244 Y248 K250A241-Q246 HydrophobicContact CB-CB 3.49Å; A241-Q246 VanDerWaalsContact CB-CB 3.49Å; Q243-Q246 HydrophobicContact CB-CG 4.33Å; Q243-Q246 WeakPolarHBondContact O-CB 2.87Å; Q243-Q246 PolarHBondContact O-N 2.85Å; P244-Q246 VanDerWaalsContact C-N 3.3Å; P244-Q246 PolarHBondContact O-N 2.7Å; Q246-Y248 VanDerWaalsContact C-N 3.33Å; Q246-K250 WeakPolarHBondContact O-CG 3.25Å; Q246-K250 PolarHBondContact O-N 2.7Å; Q246-K250 VanDerWaalsContact O-N 3.17Å
247I97.6Very high96.2Very high4 Ų472.5 Ų72.52%0.02136%0.359CS..Hα-helixtrans-61.5-46.6171.7-58.1177.7000109.2P203 E204 F239 A241 Q243 P244 E249 K250 I251P203-I247 HydrophobicContact CB-CD1 4.4Å; E204-I247 HydrophobicContact CG-CD1 4.21Å; F239-I247 HydrophobicContact CB-CG2 4.28Å; A241-I247 HydrophobicContact CB-CG1 3.83Å; Q243-I247 PolarHBondContact O-N 2.69Å; P244-I247 WeakPolarHBondContact O-CB 3.25Å; P244-I247 PolarHBondContact O-N 2.91Å; P244-I247 VanDerWaalsContact O-N 3.15Å; I247-E249 PolarHBondContact O-N 3.21Å; I247-K250 WeakPolarHBondContact O-CB 3.39Å; I247-K250 PolarHBondContact O-N 3Å; I247-I251 HydrophobicContact CG2-CD1 3.75Å; I247-I251 HydrophobicContact CG2-CG1 4.4Å; I247-I251 WeakPolarHBondContact O-CG1 3.48Å; I247-I251 PolarHBondContact O-N 3.13Å
248Y97.6Very high96.2Very high60 Ų6074 Ų7424%0.23537%0.365CS..Hα-helixtrans-62.2-43.2-179.9-59.9-17.8000112.8P203 L206 I211 P244 I245 Q246 K250 I251 V252P203-Y248 HydrophobicContact CB-CE1 3.92Å; L206-Y248 HydrophobicContact CD1-CE1 3.84Å; I211-Y248 HydrophobicContact CD1-CD1 3.77Å; I211-Y248 HydrophobicContact CD1-CG 4.18Å; I211-Y248 HydrophobicContact CG1-CD1 4.05Å; I211-Y248 HydrophobicContact CG1-CG 4.32Å; I211-Y248 HydrophobicContact CG2-CD2 4.49Å; I211-Y248 HydrophobicContact CG2-CG 4.11Å; P244-Y248 HydrophobicContact CB-CE2 4.23Å; P244-Y248 WeakPolarHBondContact O-CD1 3.32Å; P244-Y248 WeakPolarHBondContact O-CD2 3.2Å; P244-Y248 PolarHBondContact O-N 2.95Å; I245-Y248 HydrophobicContact CD1-CD2 4.45Å; I245-Y248 WeakPolarHBondContact O-CB 3.36Å; I245-Y248 PolarHBondContact O-N 3.39Å; Q246-Y248 VanDerWaalsContact C-N 3.33Å; Y248-K250 VanDerWaalsContact C-N 3.31Å; Y248-K250 PolarHBondContact O-N 3.2Å; Y248-I251 PolarHBondContact O-N 2.84Å; Y248-V252 WeakPolarHBondContact O-CG2 3.45Å; Y248-V252 PolarHBondContact O-N 3.39Å
249E97.5Very high96.2Very high131 Ų13174 Ų7461%0.61236%0.364SS*.Hα-helixtrans-57.8-43.5174.1-72.9172.417300111.8I245 I247 S253I245-E249 WeakPolarHBondContact O-CG 3.25Å; I245-E249 PolarHBondContact O-N 2.94Å; I247-E249 PolarHBondContact O-N 3.21Å; E249-S253 WeakPolarHBondContact O-CB 3.33Å; E249-S253 PolarHBondContact O-N 3.49Å; E249-S253 VanDerWaalsContact O-N 3.09Å
250K97.9Very high96.2Very high89 Ų8979.4 Ų79.439%0.38740%0.402SS..Hα-helixtrans-64.7-45.6177.1-71.1178.9-178.5-167.10111.9F239 F240 Q246 I247 Y248 S253 G254F239-K250 HydrophobicContact CB-CB 4.38Å; F239-K250 HydrophobicContact CD1-CB 4.01Å; F240-K250 PolarHBondContact O-NZ 3.2Å; Q246-K250 WeakPolarHBondContact O-CG 3.25Å; Q246-K250 PolarHBondContact O-N 2.7Å; Q246-K250 VanDerWaalsContact O-N 3.17Å; I247-K250 WeakPolarHBondContact O-CB 3.39Å; I247-K250 PolarHBondContact O-N 3Å; Y248-K250 VanDerWaalsContact C-N 3.31Å; Y248-K250 PolarHBondContact O-N 3.2Å; K250-S253 PolarHBondContact O-N 2.93Å; K250-S253 PolarHBondContact O-OG 2.77Å; K250-G254 PolarHBondContact O-N 3.45Å
251I98.2Very high96.4Very high0 Ų078 Ų780%040%0.397CS..Hα-helixtrans-58.2-51.7178.6-73.7167.2000110.6P203 P208 I211 W223 F239 I247 Y248 S253 G254P203-I251 WeakPolarHBondContact O-CD1 3.14Å; P208-I251 HydrophobicContact CB-CG2 4.27Å; P208-I251 HydrophobicContact CG-CG2 3.72Å; I211-I251 HydrophobicContact CD1-CB 3.82Å; I211-I251 HydrophobicContact CD1-CD1 3.8Å; I211-I251 HydrophobicContact CD1-CG1 4.41Å; I211-I251 HydrophobicContact CD1-CG2 3.47Å; I211-I251 VanDerWaalsContact CD1-CG2 3.47Å; W223-I251 HydrophobicContact CH2-CG2 4.33Å; W223-I251 HydrophobicContact CZ2-CG2 3.72Å; F239-I251 HydrophobicContact CB-CD1 4.41Å; F239-I251 HydrophobicContact CB-CG1 3.71Å; F239-I251 HydrophobicContact CD1-CG1 4.18Å; F239-I251 HydrophobicContact CD2-CD1 4.49Å; F239-I251 HydrophobicContact CD2-CG1 3.58Å; F239-I251 HydrophobicContact CE2-CG1 4.21Å; F239-I251 HydrophobicContact CG-CG1 3.55Å; I247-I251 HydrophobicContact CG2-CD1 3.75Å; I247-I251 HydrophobicContact CG2-CG1 4.4Å; I247-I251 WeakPolarHBondContact O-CG1 3.48Å; I247-I251 PolarHBondContact O-N 3.13Å; Y248-I251 PolarHBondContact O-N 2.84Å; I251-S253 VanDerWaalsContact C-N 3.25Å; I251-S253 PolarHBondContact O-N 3.21Å; I251-G254 PolarHBondContact O-N 3.2Å; I251-G254 VanDerWaalsContact O-N 3.08Å
252V97.4Very high96.6Very high52 Ų5277.3 Ų77.332%0.31539%0.39SS..Hα-helixtrans-65.9-29.9-177.7175.70000111.7I211 L212 Y248 G254I211-V252 HydrophobicContact CB-CG2 4.41Å; I211-V252 HydrophobicContact CG2-CG2 3.98Å; L212-V252 HydrophobicContact CD1-CG1 4.32Å; L212-V252 HydrophobicContact CD2-CG1 4.25Å; L212-V252 HydrophobicContact CD2-CG2 4.23Å; L212-V252 HydrophobicContact CG-CG2 4.19Å; Y248-V252 WeakPolarHBondContact O-CG2 3.45Å; Y248-V252 PolarHBondContact O-N 3.39Å; V252-G254 PolarHBondContact O-N 2.82Å
253S96.9Very high96.9Very high61 Ų6172 Ų7243%0.42736%0.364SS..Hα-helixtrans-66.3-23.917583.70000113.9E249 K250 I251 K255E249-S253 WeakPolarHBondContact O-CB 3.33Å; E249-S253 PolarHBondContact O-N 3.49Å; E249-S253 VanDerWaalsContact O-N 3.09Å; K250-S253 PolarHBondContact O-N 2.93Å; K250-S253 PolarHBondContact O-OG 2.77Å; I251-S253 VanDerWaalsContact C-N 3.25Å; I251-S253 PolarHBondContact O-N 3.21Å; S253-K255 PolarHBondContact O-N 2.68Å; S253-K255 VanDerWaalsContact O-N 3.15Å; S253-K255 PolarHBondContact OG-N 3.05Å
254G91.6Very high97Very high27 Ų2770.9 Ų70.928%0.27837%0.369SS..THydrogen-bonded Turntrans66.27.1-176.600000115.4K250 I251 V252 V256K250-G254 PolarHBondContact O-N 3.45Å; I251-G254 PolarHBondContact O-N 3.2Å; I251-G254 VanDerWaalsContact O-N 3.08Å; V252-G254 PolarHBondContact O-N 2.82Å; G254-V256 PolarHBondContact O-N 2.7Å; G254-V256 VanDerWaalsContact O-N 3.15Å
255K93.9Very high97.3Very high174 Ų17470.9 Ų70.976%0.75737%0.366SS*.  trans-8492-176.1-67.3-179.9-177.4175.20110.8S253S253-K255 PolarHBondContact O-N 2.68Å; S253-K255 VanDerWaalsContact O-N 3.15Å; S253-K255 PolarHBondContact OG-N 3.05Å
256V96.3Very high97.4Very high28 Ų2865.9 Ų65.917%0.1734%0.34CS..  trans-94.2131.2175.3-175.10000110.6Y230 P238 F239 G254 F258 L274Y230-V256 HydrophobicContact CD2-CG1 4.08Å; Y230-V256 HydrophobicContact CE2-CG1 3.71Å; P238-V256 HydrophobicContact CB-CG1 4.04Å; F239-V256 HydrophobicContact CE1-CG2 3.66Å; F239-V256 HydrophobicContact CE2-CG2 4.38Å; F239-V256 HydrophobicContact CZ-CG2 3.41Å; F239-V256 VanDerWaalsContact CZ-CG2 3.41Å; G254-V256 PolarHBondContact O-N 2.7Å; G254-V256 VanDerWaalsContact O-N 3.15Å; V256-F258 HydrophobicContact CB-CE1 4.43Å; V256-F258 HydrophobicContact CB-CZ 4.1Å; V256-F258 HydrophobicContact CG1-CD1 4.12Å; V256-F258 HydrophobicContact CG1-CE1 3.59Å; V256-F258 HydrophobicContact CG1-CE2 4.4Å; V256-F258 HydrophobicContact CG1-CZ 3.76Å; V256-L274 HydrophobicContact CG1-CD1 4.26Å; V256-L274 HydrophobicContact CG2-CB 4.33Å; V256-L274 HydrophobicContact CG2-CD1 3.94Å
257R96.6Very high97.5Very high221 Ų22164.1 Ų64.183%0.83433%0.332SS*.  trans-101.4134.4169.2-66-174.9-179.2-166.30.7109.5Y230Y230-R257 WeakPolarHBondContact CE2-O 3.25Å; Y230-R257 PolarHBondContact OH-O 3.48Å
258F98.3Very high97.6Very high47 Ų4767.4 Ų67.421%0.20635%0.349CS..  trans-105.6138.4-178.8-59-72.2000111.1Y230 V256 F262 K267 L270 R271Y230-F258 HydrophobicContact CD2-CD1 4.08Å; Y230-F258 HydrophobicContact CD2-CE1 4.14Å; Y230-F258 AromaticContact CE2-CD1 3.82Å; Y230-F258 HydrophobicContact CE2-CD1 3.82Å; Y230-F258 HydrophobicContact CE2-CE1 4.19Å; V256-F258 HydrophobicContact CB-CE1 4.43Å; V256-F258 HydrophobicContact CB-CZ 4.1Å; V256-F258 HydrophobicContact CG1-CD1 4.12Å; V256-F258 HydrophobicContact CG1-CE1 3.59Å; V256-F258 HydrophobicContact CG1-CE2 4.4Å; V256-F258 HydrophobicContact CG1-CZ 3.76Å; F258-F262 HydrophobicContact CB-CD2 4.22Å; F258-F262 AromaticContact CD1-CD2 3.92Å; F258-F262 HydrophobicContact CD1-CD2 3.92Å; F258-F262 HydrophobicContact CD1-CE2 4.15Å; F258-K267 HydrophobicContact CB-CD 4.22Å; F258-K267 HydrophobicContact CB-CG 3.93Å; F258-K267 HydrophobicContact CD1-CG 4.35Å; F258-K267 HydrophobicContact CD2-CB 4.49Å; F258-K267 HydrophobicContact CD2-CG 4.17Å; F258-K267 HydrophobicContact CG-CG 3.89Å; F258-L270 HydrophobicContact CD1-CD1 4.13Å; F258-L270 HydrophobicContact CE1-CB 3.67Å; F258-L270 HydrophobicContact CE1-CD1 3.83Å; F258-L270 HydrophobicContact CE1-CG 4.43Å; F258-L270 HydrophobicContact CZ-CB 4.13Å; F258-R271 HydrophobicContact CE2-CG 3.97Å; F258-R271 HydrophobicContact CZ-CG 3.98Å
259P98.4Very high97.6Very high15 Ų1564.5 Ų64.510%0.09734%0.338CS..  trans-53.7147.9168.4-26.235.1000112.3A234 H261 F262 K267A234-P259 HydrophobicContact CB-CG 4.12Å; P259-H261 VanDerWaalsContact CB-CE1 3.49Å; P259-H261 WeakPolarHBondContact CB-CE1 3.48Å; P259-H261 VanDerWaalsContact CB-NE2 3.33Å; P259-H261 WeakPolarHBondContact CB-NE2 3.27Å; P259-H261 PolarHBondContact O-N 2.8Å; P259-F262 HydrophobicContact CB-CD1 4.05Å; P259-F262 HydrophobicContact CB-CE1 4.24Å; P259-F262 HydrophobicContact CG-CD1 4.06Å; P259-F262 HydrophobicContact CG-CE1 3.79Å; P259-F262 HydrophobicContact CG-CZ 4.06Å; P259-F262 PolarHBondContact O-N 3.08Å; P259-K267 WeakPolarHBondContact O-CE 3.39Å; P259-K267 PolarHBondContact O-NZ 3.19Å
260S98.1Very high97.7Very high115 Ų11558.3 Ų58.380%0.80431%0.309SS*.THydrogen-bonded Turntrans-59.7-36.9178.853.80000111.8F262 K267S260-F262 VanDerWaalsContact C-N 3.27Å; S260-F262 PolarHBondContact O-N 3.46Å; S260-K267 PolarHBondContact O-NZ 2.81Å
261H98.4Very high97.7Very high88 Ų8860.1 Ų60.141%0.40731%0.313SS..THydrogen-bonded Turntrans-72.5-8.7-178.462.7-126.7000114.8R138 P259R138-H261 VanDerWaalsContact CZ-CE1 3.5Å; R138-H261 PolarHBondContact NH1-CD2 3.13Å; R138-H261 PolarHBondContact NH1-CE1 2.99Å; R138-H261 PolarHBondContact NH1-NE2 3.4Å; P259-H261 VanDerWaalsContact CB-CE1 3.49Å; P259-H261 WeakPolarHBondContact CB-CE1 3.48Å; P259-H261 VanDerWaalsContact CB-NE2 3.33Å; P259-H261 WeakPolarHBondContact CB-NE2 3.27Å; P259-H261 PolarHBondContact O-N 2.8Å
262F98.8Very high97.8Very high6 Ų662 Ų623%0.02632%0.323CS..SBendtrans-69.4133173.7-84.219.3000109.8Y230 A233 A234 F258 P259 S260 L266 K267 L270Y230-F262 AromaticContact CD2-CE2 3.91Å; Y230-F262 HydrophobicContact CD2-CE2 3.91Å; Y230-F262 HydrophobicContact CD2-CZ 4.45Å; Y230-F262 HydrophobicContact CE2-CE2 4.13Å; Y230-F262 HydrophobicContact CG-CE2 4.29Å; Y230-F262 HydrophobicContact CG-CZ 4.46Å; A233-F262 HydrophobicContact CB-CD1 4.37Å; A233-F262 HydrophobicContact CB-CE1 3.53Å; A233-F262 HydrophobicContact CB-CZ 3.62Å; A234-F262 HydrophobicContact CB-CE1 4.11Å; A234-F262 HydrophobicContact CB-CZ 3.81Å; F258-F262 HydrophobicContact CB-CD2 4.22Å; F258-F262 AromaticContact CD1-CD2 3.92Å; F258-F262 HydrophobicContact CD1-CD2 3.92Å; F258-F262 HydrophobicContact CD1-CE2 4.15Å; P259-F262 HydrophobicContact CB-CD1 4.05Å; P259-F262 HydrophobicContact CB-CE1 4.24Å; P259-F262 HydrophobicContact CG-CD1 4.06Å; P259-F262 HydrophobicContact CG-CE1 3.79Å; P259-F262 HydrophobicContact CG-CZ 4.06Å; P259-F262 PolarHBondContact O-N 3.08Å; S260-F262 VanDerWaalsContact C-N 3.27Å; S260-F262 PolarHBondContact O-N 3.46Å; F262-L266 HydrophobicContact CB-CD2 4.12Å; F262-L266 HydrophobicContact CD1-CD2 3.81Å; F262-L266 HydrophobicContact CD2-CD2 3.63Å; F262-L266 HydrophobicContact CD2-CG 3.9Å; F262-L266 HydrophobicContact CE1-CD2 4.12Å; F262-L266 HydrophobicContact CE2-CD2 3.93Å; F262-L266 HydrophobicContact CE2-CG 4.33Å; F262-L266 HydrophobicContact CG-CD2 3.57Å; F262-L266 HydrophobicContact CG-CG 4.2Å; F262-L266 HydrophobicContact CZ-CD2 4.17Å; F262-K267 HydrophobicContact CB-CD 4.34Å; F262-K267 HydrophobicContact CB-CG 3.91Å; F262-K267 WeakPolarHBondContact O-CE 3.26Å; F262-K267 PolarHBondContact O-NZ 3.32Å; F262-L270 HydrophobicContact CD2-CD1 3.92Å; F262-L270 HydrophobicContact CE2-CD1 3.55Å
263S98.8Very high97.8Very high38 Ų3859.5 Ų59.527%0.26631%0.308SS..  trans-60.2158.1173.770.50000111.8E141 D265 L266 K267E141-S263 WeakPolarHBondContact OE1-CB 3.38Å; E141-S263 PolarHBondContact OE1-N 3.25Å; E141-S263 PolarHBondContact OE1-OG 2.89Å; E141-S263 WeakPolarHBondContact OE2-CB 3.33Å; E141-S263 PolarHBondContact OE2-OG 3.49Å; S263-D265 PolarHBondContact O-N 3.46Å; S263-L266 PolarHBondContact O-N 2.86Å; S263-L266 VanDerWaalsContact OG-CB 3.28Å; S263-L266 WeakPolarHBondContact OG-CB 3.48Å; S263-L266 PolarHBondContact OG-N 2.51Å; S263-K267 WeakPolarHBondContact O-CG 3.49Å; S263-K267 PolarHBondContact O-N 3.23Å
264S98.8Very high97.9Very high90 Ų9057 Ų5763%0.62929%0.29SS*.Hα-helixtrans-58.5-40.7174.250.20000111.6K267 D268S264-K267 PolarHBondContact O-N 3.07Å; S264-D268 WeakPolarHBondContact O-CB 3.44Å; S264-D268 PolarHBondContact O-N 3.15Å
265D98.8Very high98.3Very high57 Ų5758.6 Ų58.631%0.30529%0.29SS..Hα-helixtrans-69-40.2-179-63.2-20.4000111.2S263 D268 L269 H295 K296 W297S263-D265 PolarHBondContact O-N 3.46Å; D265-D268 PolarHBondContact O-N 2.97Å; D265-L269 PolarHBondContact O-N 3.32Å; D265-H295 PolarHBondContact O-CE1 3.17Å; D265-K296 HydrophobicContact CB-CB 4.39Å; D265-W297 HydrophobicContact CB-CB 4.05Å
266L98.9Very high98.5Very high0 Ų052.5 Ų52.50%027%0.268CS..Hα-helixtrans-62.6-46.2174.5177.955.6000111.4E141 V229 A233 F262 S263 D268 L269 L270 W297E141-L266 HydrophobicContact CG-CD2 3.89Å; V229-L266 HydrophobicContact CG1-CD1 3.62Å; A233-L266 HydrophobicContact CB-CD2 3.85Å; F262-L266 HydrophobicContact CB-CD2 4.12Å; F262-L266 HydrophobicContact CD1-CD2 3.81Å; F262-L266 HydrophobicContact CD2-CD2 3.63Å; F262-L266 HydrophobicContact CD2-CG 3.9Å; F262-L266 HydrophobicContact CE1-CD2 4.12Å; F262-L266 HydrophobicContact CE2-CD2 3.93Å; F262-L266 HydrophobicContact CE2-CG 4.33Å; F262-L266 HydrophobicContact CG-CD2 3.57Å; F262-L266 HydrophobicContact CG-CG 4.2Å; F262-L266 HydrophobicContact CZ-CD2 4.17Å; S263-L266 PolarHBondContact O-N 2.86Å; S263-L266 VanDerWaalsContact OG-CB 3.28Å; S263-L266 WeakPolarHBondContact OG-CB 3.48Å; S263-L266 PolarHBondContact OG-N 2.51Å; L266-D268 VanDerWaalsContact C-N 3.27Å; L266-D268 PolarHBondContact O-N 3.35Å; L266-L269 PolarHBondContact O-N 2.86Å; L266-L270 HydrophobicContact CD1-CD1 3.78Å; L266-L270 HydrophobicContact CD1-CG 3.92Å; L266-L270 HydrophobicContact CG-CD1 3.89Å; L266-L270 HydrophobicContact CG-CG 4.43Å; L266-L270 WeakPolarHBondContact O-CB 3.46Å; L266-L270 VanDerWaalsContact O-CG 3.29Å; L266-L270 WeakPolarHBondContact O-CG 2.97Å; L266-L270 PolarHBondContact O-N 3.19Å; L266-W297 HydrophobicContact CD1-CD2 4.3Å; L266-W297 HydrophobicContact CD1-CZ2 3.9Å
267K98.9Very high98.6Very high44 Ų4453.8 Ų53.819%0.19127%0.273CS..Hα-helixtrans-59.1-41176.9-70.9170.1-179.8151.40111.3F258 P259 S260 F262 S263 S264 R271F258-K267 HydrophobicContact CB-CD 4.22Å; F258-K267 HydrophobicContact CB-CG 3.93Å; F258-K267 HydrophobicContact CD1-CG 4.35Å; F258-K267 HydrophobicContact CD2-CB 4.49Å; F258-K267 HydrophobicContact CD2-CG 4.17Å; F258-K267 HydrophobicContact CG-CG 3.89Å; P259-K267 WeakPolarHBondContact O-CE 3.39Å; P259-K267 PolarHBondContact O-NZ 3.19Å; S260-K267 PolarHBondContact O-NZ 2.81Å; F262-K267 HydrophobicContact CB-CD 4.34Å; F262-K267 HydrophobicContact CB-CG 3.91Å; F262-K267 WeakPolarHBondContact O-CE 3.26Å; F262-K267 PolarHBondContact O-NZ 3.32Å; S263-K267 WeakPolarHBondContact O-CG 3.49Å; S263-K267 PolarHBondContact O-N 3.23Å; S264-K267 PolarHBondContact O-N 3.07Å; K267-R271 VanDerWaalsContact O-CG 3.3Å; K267-R271 WeakPolarHBondContact O-CG 3.26Å; K267-R271 PolarHBondContact O-N 2.89Å
268D98.9Very high98.5Very high72 Ų7245.5 Ų45.539%0.38525%0.245SC..Hα-helixtrans-66.2-46.9178.9-164.160000112.4S264 D265 L266 L270 R271 N272 H295S264-D268 WeakPolarHBondContact O-CB 3.44Å; S264-D268 PolarHBondContact O-N 3.15Å; D265-D268 PolarHBondContact O-N 2.97Å; L266-D268 VanDerWaalsContact C-N 3.27Å; L266-D268 PolarHBondContact O-N 3.35Å; D268-L270 VanDerWaalsContact C-N 3.33Å; D268-L270 PolarHBondContact O-N 3.04Å; D268-R271 PolarHBondContact O-N 3.44Å; D268-N272 PolarHBondContact O-N 2.9Å; D268-N272 PolarHBondContact O-ND2 2.89Å; D268-H295 IonicContact OD2-NE2 2.73Å; D268-H295 PolarHBondContact OD2-NE2 3.42Å
269L98.9Very high98.5Very high0 Ų047.5 Ų47.50%026%0.262CS..Hα-helixtrans-56-49.4174.7178.362.5000111.2D265 L266 R271 N272 L273 I292 H295 W297 F298D265-L269 PolarHBondContact O-N 3.32Å; L266-L269 PolarHBondContact O-N 2.86Å; L269-R271 VanDerWaalsContact C-N 3.34Å; L269-R271 PolarHBondContact O-N 3.17Å; L269-N272 PolarHBondContact O-N 3.22Å; L269-N272 VanDerWaalsContact O-N 3.1Å; L269-L273 HydrophobicContact CD1-CD1 3.95Å; L269-L273 HydrophobicContact CD1-CG 4.22Å; L269-L273 HydrophobicContact CD2-CD1 4.44Å; L269-L273 HydrophobicContact CG-CD1 3.9Å; L269-L273 HydrophobicContact CG-CG 4.48Å; L269-L273 PolarHBondContact O-N 3.5Å; L269-I292 HydrophobicContact CD1-CG2 4.46Å; L269-H295 HydrophobicContact CD1-CB 4.23Å; L269-W297 HydrophobicContact CB-CB 4.42Å; L269-W297 HydrophobicContact CD2-CB 4.18Å; L269-W297 HydrophobicContact CD2-CD2 3.93Å; L269-W297 HydrophobicContact CD2-CE3 3.4Å; L269-W297 HydrophobicContact CD2-CG 4.28Å; L269-W297 HydrophobicContact CD2-CZ3 4.02Å; L269-F298 HydrophobicContact CD1-CE2 4.45Å; L269-F298 HydrophobicContact CD2-CD2 4.25Å; L269-F298 HydrophobicContact CD2-CE2 3.67Å; L269-F298 HydrophobicContact CD2-CZ 4.4Å
270L98.9Very high98.5Very high0 Ų052.6 Ų52.60%028%0.282CS..Hα-helixtrans-65.1-35.4-177.1-71174.3000112.5G226 V229 Y230 F258 F262 L266 D268 N272 L273 L274G226-L270 WeakPolarHBondContact O-CD2 3.34Å; V229-L270 HydrophobicContact CB-CD2 4.01Å; V229-L270 HydrophobicContact CG1-CD2 3.94Å; Y230-L270 HydrophobicContact CD2-CD1 4.02Å; F258-L270 HydrophobicContact CD1-CD1 4.13Å; F258-L270 HydrophobicContact CE1-CB 3.67Å; F258-L270 HydrophobicContact CE1-CD1 3.83Å; F258-L270 HydrophobicContact CE1-CG 4.43Å; F258-L270 HydrophobicContact CZ-CB 4.13Å; F262-L270 HydrophobicContact CD2-CD1 3.92Å; F262-L270 HydrophobicContact CE2-CD1 3.55Å; L266-L270 HydrophobicContact CD1-CD1 3.78Å; L266-L270 HydrophobicContact CD1-CG 3.92Å; L266-L270 HydrophobicContact CG-CD1 3.89Å; L266-L270 HydrophobicContact CG-CG 4.43Å; L266-L270 WeakPolarHBondContact O-CB 3.46Å; L266-L270 VanDerWaalsContact O-CG 3.29Å; L266-L270 WeakPolarHBondContact O-CG 2.97Å; L266-L270 PolarHBondContact O-N 3.19Å; D268-L270 VanDerWaalsContact C-N 3.33Å; D268-L270 PolarHBondContact O-N 3.04Å; L270-N272 VanDerWaalsContact C-N 3.26Å; L270-N272 PolarHBondContact O-N 3.31Å; L270-L273 PolarHBondContact O-N 3.28Å; L270-L274 WeakPolarHBondContact O-CA 3.28Å; L270-L274 WeakPolarHBondContact O-CB 3.47Å; L270-L274 WeakPolarHBondContact O-CG 3.47Å; L270-L274 PolarHBondContact O-N 3.17Å
271R98.8Very high98.5Very high127 Ų12747.1 Ų47.148%0.47924%0.244SC..Hα-helixtrans-62.9-34173.2-74.5-179.5-160.6109.2-2.3112.5F258 K267 D268 L269F258-R271 HydrophobicContact CE2-CG 3.97Å; F258-R271 HydrophobicContact CZ-CG 3.98Å; K267-R271 VanDerWaalsContact O-CG 3.3Å; K267-R271 WeakPolarHBondContact O-CG 3.26Å; K267-R271 PolarHBondContact O-N 2.89Å; D268-R271 PolarHBondContact O-N 3.44Å; L269-R271 VanDerWaalsContact C-N 3.34Å; L269-R271 PolarHBondContact O-N 3.17Å
272N98.8Very high98.5Very high39 Ų3944.3 Ų44.321%0.20923%0.231CC..Hα-helixtrans-81.2-29.2-180-75.3-70.8000113.2D268 L269 L270 R281 F282D268-N272 PolarHBondContact O-N 2.9Å; D268-N272 PolarHBondContact O-ND2 2.89Å; L269-N272 PolarHBondContact O-N 3.22Å; L269-N272 VanDerWaalsContact O-N 3.1Å; L270-N272 VanDerWaalsContact C-N 3.26Å; L270-N272 PolarHBondContact O-N 3.31Å; N272-R281 WeakPolarHBondContact O-CA 3.48Å; N272-F282 HydrophobicContact CB-CB 4.29Å; N272-F282 HydrophobicContact CB-CD1 3.58Å; N272-F282 HydrophobicContact CB-CD2 3.74Å; N272-F282 HydrophobicContact CB-CE1 3.7Å; N272-F282 HydrophobicContact CB-CE2 3.85Å; N272-F282 HydrophobicContact CB-CG 3.6Å; N272-F282 HydrophobicContact CB-CZ 3.83Å; N272-F282 PolarHBondContact O-N 3.45Å; N272-F282 VanDerWaalsContact OD1-CE1 3.31Å; N272-F282 WeakPolarHBondContact OD1-CE1 3.13Å
273L98.9Very high98.5Very high0 Ų044.2 Ų44.20%023%0.231CC..Hα-helixtrans-82.1-44.9173.6-68.6173.4000112.5W222 L225 L269 L270 Q275 R281 F282 I292W222-L273 HydrophobicContact CB-CD2 4.37Å; L225-L273 HydrophobicContact CD2-CD1 4.31Å; L225-L273 HydrophobicContact CG-CD1 4.28Å; L269-L273 HydrophobicContact CD1-CD1 3.95Å; L269-L273 HydrophobicContact CD1-CG 4.22Å; L269-L273 HydrophobicContact CD2-CD1 4.44Å; L269-L273 HydrophobicContact CG-CD1 3.9Å; L269-L273 HydrophobicContact CG-CG 4.48Å; L269-L273 PolarHBondContact O-N 3.5Å; L270-L273 PolarHBondContact O-N 3.28Å; L273-Q275 PolarHBondContact O-N 3.33Å; L273-R281 WeakPolarHBondContact O-CD 3.47Å; L273-R281 VanDerWaalsContact O-CG 3.25Å; L273-R281 WeakPolarHBondContact O-CG 3.46Å; L273-R281 PolarHBondContact O-NE 3.02Å; L273-F282 HydrophobicContact CD2-CB 4.01Å; L273-I292 HydrophobicContact CD2-CD1 3.81Å; L273-I292 HydrophobicContact CD2-CG1 4.14Å
274L98.8Very high98.5Very high8 Ų844.2 Ų44.24%0.04223%0.228CC..SBendtrans-83.536176.5-58177.4000111.8W223 V227 P238 F239 V256 L270W223-L274 HydrophobicContact CD2-CD2 4.08Å; W223-L274 HydrophobicContact CE3-CD2 4.32Å; W223-L274 HydrophobicContact CH2-CB 4.46Å; W223-L274 HydrophobicContact CZ2-CD2 4.28Å; W223-L274 HydrophobicContact CZ3-CB 4.24Å; W223-L274 WeakPolarHBondContact CZ3-O 3.27Å; V227-L274 HydrophobicContact CG2-CD2 3.74Å; P238-L274 HydrophobicContact CB-CD1 4.29Å; P238-L274 HydrophobicContact CG-CD1 4.14Å; F239-L274 HydrophobicContact CE2-CD2 4.36Å; V256-L274 HydrophobicContact CG1-CD1 4.26Å; V256-L274 HydrophobicContact CG2-CB 4.33Å; V256-L274 HydrophobicContact CG2-CD1 3.94Å; L270-L274 WeakPolarHBondContact O-CA 3.28Å; L270-L274 WeakPolarHBondContact O-CB 3.47Å; L270-L274 WeakPolarHBondContact O-CG 3.47Å; L270-L274 PolarHBondContact O-N 3.17Å
275Q98.7Very high98.4Very high61 Ų6142.8 Ų42.829%0.28521%0.213SC..  trans-83.5119.1176.5175.454.7-97.200109.5L273 D277 K280 R281L273-Q275 PolarHBondContact O-N 3.33Å; Q275-D277 VanDerWaalsContact C-N 3.34Å; Q275-D277 HydrophobicContact CG-CB 4.45Å; Q275-D277 VanDerWaalsContact CG-O 3.3Å; Q275-D277 WeakPolarHBondContact CG-O 3.39Å; Q275-D277 PolarHBondContact O-N 3.46Å; Q275-D277 VanDerWaalsContact OE1-N 3.15Å; Q275-K280 HydrophobicContact CG-CB 3.73Å; Q275-R281 HydrophobicContact CB-CB 4.16Å; Q275-R281 HydrophobicContact CB-CG 4.32Å; Q275-R281 VanDerWaalsContact O-CZ 3.29Å; Q275-R281 PolarHBondContact O-NE 3.49Å; Q275-R281 PolarHBondContact O-NH2 3.26Å
276V98.4Very high98.3Very high47 Ų4750.1 Ų50.129%0.28524%0.242SC..SBendtrans-65.4-39.5-178.8175.90000111.3P208 W223 L278P208-V276 HydrophobicContact CB-CG1 4.03Å; P208-V276 HydrophobicContact CG-CB 4.37Å; P208-V276 HydrophobicContact CG-CG1 4.08Å; P208-V276 HydrophobicContact CG-CG2 4.15Å; W223-V276 HydrophobicContact CH2-CG2 4.34Å; W223-V276 HydrophobicContact CZ3-CG2 4.31Å; V276-L278 PolarHBondContact O-N 3.5Å; V276-L278 VanDerWaalsContact O-N 3.09Å
277D97.9Very high98.2Very high54 Ų5454.7 Ų54.729%0.28927%0.267SS..SBendtrans-7598.5173.4-176.5-6.6000110Q275 T279 K280 R281Q275-D277 VanDerWaalsContact C-N 3.34Å; Q275-D277 HydrophobicContact CG-CB 4.45Å; Q275-D277 VanDerWaalsContact CG-O 3.3Å; Q275-D277 WeakPolarHBondContact CG-O 3.39Å; Q275-D277 PolarHBondContact O-N 3.46Å; Q275-D277 VanDerWaalsContact OE1-N 3.15Å; D277-T279 VanDerWaalsContact CG-OG1 3.26Å; D277-T279 PolarHBondContact O-N 3.3Å; D277-T279 WeakPolarHBondContact OD1-CB 3.17Å; D277-T279 PolarHBondContact OD1-N 3.4Å; D277-T279 VanDerWaalsContact OD1-N 3.08Å; D277-T279 PolarHBondContact OD1-OG1 2.93Å; D277-T279 PolarHBondContact OD2-OG1 3.23Å; D277-K280 HydrophobicContact CB-CB 4.48Å; D277-K280 HydrophobicContact CB-CD 4.3Å; D277-K280 PolarHBondContact O-N 3.43Å; D277-K280 WeakPolarHBondContact OD2-CD 3.45Å; D277-K280 WeakPolarHBondContact OD2-CE 3.34Å; D277-K280 IonicContact OD2-NZ 2.82Å; D277-K280 PolarHBondContact OD2-NZ 3.41Å; D277-R281 PolarHBondContact O-N 3.31Å
278L95.9Very high98.2Very high47 Ų4753.5 Ų53.525%0.24627%0.267CS..G310 helixtrans-55.1-21.6-178.570.586000113.8E209 A219 V276 K280 R281 N284E209-L278 HydrophobicContact CB-CD2 4.19Å; E209-L278 HydrophobicContact CG-CD2 4.19Å; A219-L278 HydrophobicContact CB-CB 4.46Å; V276-L278 PolarHBondContact O-N 3.5Å; V276-L278 VanDerWaalsContact O-N 3.09Å; L278-K280 PolarHBondContact O-N 3.17Å; L278-R281 PolarHBondContact O-N 2.59Å; L278-N284 PolarHBondContact O-ND2 2.88Å
279T97.1Very high98.1Very high90 Ų9050.9 Ų50.955%0.55225%0.254SS*.G310 helixtrans-74.1-14.6177.472.10000113D277 L285D277-T279 VanDerWaalsContact CG-OG1 3.26Å; D277-T279 PolarHBondContact O-N 3.3Å; D277-T279 WeakPolarHBondContact OD1-CB 3.17Å; D277-T279 PolarHBondContact OD1-N 3.4Å; D277-T279 VanDerWaalsContact OD1-N 3.08Å; D277-T279 PolarHBondContact OD1-OG1 2.93Å; D277-T279 PolarHBondContact OD2-OG1 3.23Å; T279-L285 WeakPolarHBondContact O-CD2 3.38Å
280K98.4Very high98.1Very high122 Ų12255 Ų5553%0.5328%0.275SS..G310 helixtrans-110.9-1.4177.9-65.8175.5-174.3132.90112.7Q275 D277 L278Q275-K280 HydrophobicContact CG-CB 3.73Å; D277-K280 HydrophobicContact CB-CB 4.48Å; D277-K280 HydrophobicContact CB-CD 4.3Å; D277-K280 PolarHBondContact O-N 3.43Å; D277-K280 WeakPolarHBondContact OD2-CD 3.45Å; D277-K280 WeakPolarHBondContact OD2-CE 3.34Å; D277-K280 IonicContact OD2-NZ 2.82Å; D277-K280 PolarHBondContact OD2-NZ 3.41Å; L278-K280 PolarHBondContact O-N 3.17Å
281R98.8Very high98.1Very high0 Ų056.5 Ų56.50%028%0.283CS..SBendtrans-77.5132.6-176.8-166.6179.8-60.61514.1111.1E209 A219 N272 L273 Q275 D277 L278 N284E209-R281 IonicContact OE1-CZ 2.64Å; E209-R281 IonicContact OE1-NH1 3.27Å; E209-R281 PolarHBondContact OE1-NH1 3.29Å; E209-R281 IonicContact OE1-NH2 2.85Å; E209-R281 IonicContact OE2-CZ 3.97Å; E209-R281 IonicContact OE2-NH1 2.86Å; E209-R281 IonicContact OE2-NH2 2.65Å; E209-R281 PolarHBondContact OE2-NH2 2.88Å; A219-R281 PolarHBondContact O-NH1 3.21Å; N272-R281 WeakPolarHBondContact O-CA 3.48Å; L273-R281 WeakPolarHBondContact O-CD 3.47Å; L273-R281 VanDerWaalsContact O-CG 3.25Å; L273-R281 WeakPolarHBondContact O-CG 3.46Å; L273-R281 PolarHBondContact O-NE 3.02Å; Q275-R281 HydrophobicContact CB-CB 4.16Å; Q275-R281 HydrophobicContact CB-CG 4.32Å; Q275-R281 VanDerWaalsContact O-CZ 3.29Å; Q275-R281 PolarHBondContact O-NE 3.49Å; Q275-R281 PolarHBondContact O-NH2 3.26Å; D277-R281 PolarHBondContact O-N 3.31Å; L278-R281 PolarHBondContact O-N 2.59Å; R281-N284 PolarHBondContact O-N 2.95Å; R281-N284 VanDerWaalsContact O-N 3.12Å
282F98.8Very high98.1Very high29 Ų2950.4 Ų50.413%0.12726%0.261CS..THydrogen-bonded Turntrans-57.1146.1173.4-87.122000111.5W222 N272 L273 N284 L285 D291 I292 H295W222-F282 WeakPolarHBondContact CB-O 3.47Å; N272-F282 HydrophobicContact CB-CB 4.29Å; N272-F282 HydrophobicContact CB-CD1 3.58Å; N272-F282 HydrophobicContact CB-CD2 3.74Å; N272-F282 HydrophobicContact CB-CE1 3.7Å; N272-F282 HydrophobicContact CB-CE2 3.85Å; N272-F282 HydrophobicContact CB-CG 3.6Å; N272-F282 HydrophobicContact CB-CZ 3.83Å; N272-F282 PolarHBondContact O-N 3.45Å; N272-F282 VanDerWaalsContact OD1-CE1 3.31Å; N272-F282 WeakPolarHBondContact OD1-CE1 3.13Å; L273-F282 HydrophobicContact CD2-CB 4.01Å; F282-N284 PolarHBondContact O-N 2.95Å; F282-L285 HydrophobicContact CD1-CD1 3.86Å; F282-L285 HydrophobicContact CE1-CD1 4.1Å; F282-D291 HydrophobicContact CD1-CB 4.16Å; F282-D291 HydrophobicContact CD2-CB 4.01Å; F282-D291 HydrophobicContact CE1-CB 4.32Å; F282-D291 HydrophobicContact CE2-CB 4.17Å; F282-D291 WeakPolarHBondContact CE2-O 3.12Å; F282-D291 HydrophobicContact CG-CB 4.01Å; F282-D291 HydrophobicContact CZ-CB 4.33Å; F282-I292 HydrophobicContact CB-CD1 4.43Å; F282-I292 HydrophobicContact CB-CG1 3.85Å; F282-I292 HydrophobicContact CD2-CG1 4.27Å; F282-H295 AromaticContact CE2-CD2 3.96Å
283G98.4Very high98.1Very high3 Ų350.2 Ų50.23%0.03126%0.258CS..THydrogen-bonded Turntrans84.7-16.8-17100000114.4W222 G288W222-G283 PolarHBondContact NE1-O 3.47Å; G283-G288 WeakPolarHBondContact CA-O 3.34Å; G283-G288 PolarHBondContact N-O 2.98Å
284N98.1Very high98.1Very high38 Ų3853.3 Ų53.320%0.20329%0.29CS..SBendtrans-116.95179.1-162.752.2000113.9N217 A219 L278 R281 F282N217-N284 PolarHBondContact ND2-OD1 2.84Å; A219-N284 HydrophobicContact CB-CB 3.89Å; L278-N284 PolarHBondContact O-ND2 2.88Å; R281-N284 PolarHBondContact O-N 2.95Å; R281-N284 VanDerWaalsContact O-N 3.12Å; F282-N284 PolarHBondContact O-N 2.95Å
285L97.8Very high98.1Very high61 Ų6153.7 Ų53.732%0.31929%0.291SS..SBendtrans-85.6-178.6174.6-51.9-176.7000111.5T279 F282 N287 G288 D291T279-L285 WeakPolarHBondContact O-CD2 3.38Å; F282-L285 HydrophobicContact CD1-CD1 3.86Å; F282-L285 HydrophobicContact CE1-CD1 4.1Å; L285-N287 VanDerWaalsContact C-N 3.29Å; L285-N287 PolarHBondContact O-N 3.3Å; L285-G288 WeakPolarHBondContact O-CA 3.41Å; L285-G288 PolarHBondContact O-N 3.39Å; L285-D291 WeakPolarHBondContact CB-OD2 3.3Å
286K97.1Very high98.1Very high210 Ų21058.1 Ų58.191%0.91331%0.309SS*.THydrogen-bonded Turntrans-55.8-38.4179.5-174179.6178-177.50113.6G288K286-G288 VanDerWaalsContact C-N 3.29Å
287N96.6Very high98.1Very high97 Ų9756 Ų5652%0.51930%0.297SS..THydrogen-bonded Turntrans-84.9-5.2179.1-53.8-34.8000112.6L285 V289 N290 D291L285-N287 VanDerWaalsContact C-N 3.29Å; L285-N287 PolarHBondContact O-N 3.3Å; N287-V289 PolarHBondContact O-N 3.22Å; N287-N290 HydrophobicContact CB-CB 4.36Å; N287-N290 WeakPolarHBondContact O-CB 3.39Å; N287-N290 PolarHBondContact O-N 3.49Å; N287-N290 VanDerWaalsContact O-N 3.15Å; N287-D291 WeakPolarHBondContact CB-OD1 3.47Å; N287-D291 PolarHBondContact ND2-OD1 3.3Å
288G97.6Very high98.1Very high18 Ų1853.7 Ų53.719%0.18628%0.284CS..THydrogen-bonded Turntrans57-128.517800000112.6G283 L285 K286 N290 D291G283-G288 WeakPolarHBondContact CA-O 3.34Å; G283-G288 PolarHBondContact N-O 2.98Å; L285-G288 WeakPolarHBondContact O-CA 3.41Å; L285-G288 PolarHBondContact O-N 3.39Å; K286-G288 VanDerWaalsContact C-N 3.29Å; G288-N290 PolarHBondContact O-N 3.4Å; G288-D291 PolarHBondContact O-N 3.06Å
289V98.3Very high98.2Very high18 Ų1855.5 Ų55.511%0.10931%0.305CS..THydrogen-bonded Turntrans-63.5-21.4-179.468.10000113.3V152 E156 W222 N287 D291 I292 K293V152-V289 HydrophobicContact CG1-CG2 3.68Å; E156-V289 HydrophobicContact CB-CG1 4.47Å; E156-V289 HydrophobicContact CB-CG2 4.27Å; E156-V289 HydrophobicContact CG-CG1 3.99Å; E156-V289 WeakPolarHBondContact OE1-CG1 3.31Å; W222-V289 HydrophobicContact CH2-CB 4.26Å; W222-V289 HydrophobicContact CH2-CG2 3.59Å; W222-V289 HydrophobicContact CZ2-CB 4.18Å; W222-V289 HydrophobicContact CZ2-CG2 4.02Å; W222-V289 HydrophobicContact CZ3-CG2 4.43Å; N287-V289 PolarHBondContact O-N 3.22Å; V289-D291 VanDerWaalsContact C-N 3.26Å; V289-D291 PolarHBondContact O-N 3.38Å; V289-I292 WeakPolarHBondContact O-CA 3.21Å; V289-I292 WeakPolarHBondContact O-CB 3.26Å; V289-I292 PolarHBondContact O-N 2.66Å; V289-K293 HydrophobicContact CG1-CD 4.27Å; V289-K293 HydrophobicContact CG2-CD 3.96Å; V289-K293 HydrophobicContact CG2-CG 4.15Å; V289-K293 PolarHBondContact O-N 3.42Å
290N98.2Very high98.3Very high86 Ų8656.3 Ų56.346%0.4631%0.311SS..Hα-helixtrans-68.7-24.2-178.4-65.9-44.8000113N287 G288 I292 K293 G294N287-N290 HydrophobicContact CB-CB 4.36Å; N287-N290 WeakPolarHBondContact O-CB 3.39Å; N287-N290 PolarHBondContact O-N 3.49Å; N287-N290 VanDerWaalsContact O-N 3.15Å; G288-N290 PolarHBondContact O-N 3.4Å; N290-I292 PolarHBondContact O-N 3.28Å; N290-K293 PolarHBondContact O-N 2.97Å; N290-G294 PolarHBondContact O-N 3.37Å
291D98.5Very high98.3Very high31 Ų3151.6 Ų51.617%0.16629%0.292CS..Hα-helixtrans-64.3-30.2171.2-66.4-40.1000111.3F282 L285 N287 G288 V289F282-D291 HydrophobicContact CD1-CB 4.16Å; F282-D291 HydrophobicContact CD2-CB 4.01Å; F282-D291 HydrophobicContact CE1-CB 4.32Å; F282-D291 HydrophobicContact CE2-CB 4.17Å; F282-D291 WeakPolarHBondContact CE2-O 3.12Å; F282-D291 HydrophobicContact CG-CB 4.01Å; F282-D291 HydrophobicContact CZ-CB 4.33Å; L285-D291 WeakPolarHBondContact CB-OD2 3.3Å; N287-D291 WeakPolarHBondContact CB-OD1 3.47Å; N287-D291 PolarHBondContact ND2-OD1 3.3Å; G288-D291 PolarHBondContact O-N 3.06Å; V289-D291 VanDerWaalsContact C-N 3.26Å; V289-D291 PolarHBondContact O-N 3.38Å
292I98.8Very high98.2Very high0 Ų056 Ų560%032%0.316CS..Hα-helixtrans-80.7-51.4175.3-55.5170.3000109.8V152 W222 L269 L273 F282 V289 N290 G294 H295 F298V152-I292 HydrophobicContact CG1-CG2 4.45Å; V152-I292 HydrophobicContact CG2-CG2 3.82Å; W222-I292 HydrophobicContact CD2-CD1 3.73Å; W222-I292 HydrophobicContact CE3-CD1 3.29Å; W222-I292 HydrophobicContact CG-CD1 4.41Å; W222-I292 HydrophobicContact CH2-CD1 4.18Å; W222-I292 HydrophobicContact CZ3-CD1 3.54Å; L269-I292 HydrophobicContact CD1-CG2 4.46Å; L273-I292 HydrophobicContact CD2-CD1 3.81Å; L273-I292 HydrophobicContact CD2-CG1 4.14Å; F282-I292 HydrophobicContact CB-CD1 4.43Å; F282-I292 HydrophobicContact CB-CG1 3.85Å; F282-I292 HydrophobicContact CD2-CG1 4.27Å; V289-I292 WeakPolarHBondContact O-CA 3.21Å; V289-I292 WeakPolarHBondContact O-CB 3.26Å; V289-I292 PolarHBondContact O-N 2.66Å; N290-I292 PolarHBondContact O-N 3.28Å; I292-G294 VanDerWaalsContact C-N 3.25Å; I292-G294 PolarHBondContact O-N 2.96Å; I292-H295 VanDerWaalsContact O-CB 3.25Å; I292-H295 WeakPolarHBondContact O-CB 3.49Å; I292-H295 PolarHBondContact O-N 3.06Å; I292-H295 VanDerWaalsContact O-N 3.08Å; I292-F298 HydrophobicContact CG2-CD2 4.19Å; I292-F298 HydrophobicContact CG2-CE2 3.68Å; I292-F298 VanDerWaalsContact O-CD2 3.32Å; I292-F298 WeakPolarHBondContact O-CD2 3.33Å
293K98.6Very high98.2Very high35 Ų3556.5 Ų56.515%0.15232%0.317CS..Hα-helixtrans-63-31.5-177.1-67.5171.573.6170.70113.1V152 E156 V289 N290 W303V152-K293 HydrophobicContact CG1-CD 4.32Å; V152-K293 HydrophobicContact CG1-CG 3.8Å; E156-K293 IonicContact OE1-NZ 3.51Å; E156-K293 PolarHBondContact OE1-NZ 3.39Å; E156-K293 IonicContact OE2-NZ 2.88Å; E156-K293 PolarHBondContact OE2-NZ 3.37Å; V289-K293 HydrophobicContact CG1-CD 4.27Å; V289-K293 HydrophobicContact CG2-CD 3.96Å; V289-K293 HydrophobicContact CG2-CG 4.15Å; V289-K293 PolarHBondContact O-N 3.42Å; N290-K293 PolarHBondContact O-N 2.97Å; K293-W303 VanDerWaalsContact CA-CZ2 3.48Å; K293-W303 HydrophobicContact CB-CD2 4.45Å; K293-W303 HydrophobicContact CB-CH2 4.41Å; K293-W303 HydrophobicContact CB-CZ2 3.75Å; K293-W303 HydrophobicContact CD-CD2 4.46Å; K293-W303 HydrophobicContact CG-CD2 4.08Å; K293-W303 HydrophobicContact CG-CE3 4.25Å; K293-W303 HydrophobicContact CG-CH2 3.83Å; K293-W303 HydrophobicContact CG-CZ2 3.66Å; K293-W303 HydrophobicContact CG-CZ3 4.11Å; K293-W303 PolarHBondContact O-NE1 3.49Å
294G98.2Very high98.1Very high65 Ų6560.2 Ų60.267%0.6734%0.335SS*.THydrogen-bonded Turntrans-88.5-1.5177.100000114.9N290 I292N290-G294 PolarHBondContact O-N 3.37Å; I292-G294 VanDerWaalsContact C-N 3.25Å; I292-G294 PolarHBondContact O-N 2.96Å
295H98.8Very high98.1Very high16 Ų1659.1 Ų59.17%0.07433%0.331CS..SBendtrans-68.3144.9-179.4-172.7-89.4000111.6D265 D268 L269 F282 I292 W297 F298 A299D265-H295 PolarHBondContact O-CE1 3.17Å; D268-H295 IonicContact OD2-NE2 2.73Å; D268-H295 PolarHBondContact OD2-NE2 3.42Å; L269-H295 HydrophobicContact CD1-CB 4.23Å; F282-H295 AromaticContact CE2-CD2 3.96Å; I292-H295 VanDerWaalsContact O-CB 3.25Å; I292-H295 WeakPolarHBondContact O-CB 3.49Å; I292-H295 PolarHBondContact O-N 3.06Å; I292-H295 VanDerWaalsContact O-N 3.08Å; H295-W297 WeakPolarHBondContact ND1-CB 3.18Å; H295-W297 PolarHBondContact ND1-N 3.29Å; H295-W297 PolarHBondContact O-N 3.29Å; H295-W297 VanDerWaalsContact O-N 3.15Å; H295-F298 PolarHBondContact O-N 3.15Å; H295-A299 PolarHBondContact O-N 3.23Å
296K98.7Very high98.1Very high153 Ų15356.6 Ų56.667%0.66532%0.318SS*.G310 helixtrans-55.3-36.1-177-69.9-176.5179.8178.30113.8D265 F298 A299D265-K296 HydrophobicContact CB-CB 4.39Å; K296-F298 PolarHBondContact O-N 3.45Å; K296-A299 WeakPolarHBondContact O-CB 3.33Å; K296-A299 PolarHBondContact O-N 2.85Å
297W98.9Very high98.2Very high4 Ų450.1 Ų50.12%0.01529%0.288CS..G310 helixtrans-60.1-26.7176.3-167.274000113.1E141 A144 R145 A148 V229 D265 L266 L269 H295E141-W297 HydrophobicContact CB-CZ2 4.31Å; E141-W297 PolarHBondContact OE2-NE1 2.91Å; A144-W297 HydrophobicContact CB-CH2 4.47Å; R145-W297 HydrophobicContact CB-CE3 4.4Å; R145-W297 HydrophobicContact CB-CH2 3.54Å; R145-W297 HydrophobicContact CB-CZ2 3.88Å; R145-W297 HydrophobicContact CB-CZ3 3.81Å; R145-W297 WeakPolarHBondContact CD-O 3.36Å; R145-W297 HydrophobicContact CG-CE3 4.12Å; R145-W297 HydrophobicContact CG-CH2 4.14Å; R145-W297 HydrophobicContact CG-CZ3 3.88Å; R145-W297 VanDerWaalsContact CZ-O 3.22Å; R145-W297 PolarHBondContact NE-O 3.33Å; R145-W297 PolarHBondContact NH2-O 3.39Å; A148-W297 HydrophobicContact CB-CH2 4.39Å; A148-W297 HydrophobicContact CB-CZ3 4.1Å; V229-W297 HydrophobicContact CG1-CH2 3.88Å; V229-W297 HydrophobicContact CG1-CZ2 4.4Å; V229-W297 HydrophobicContact CG1-CZ3 4.25Å; D265-W297 HydrophobicContact CB-CB 4.05Å; L266-W297 HydrophobicContact CD1-CD2 4.3Å; L266-W297 HydrophobicContact CD1-CZ2 3.9Å; L269-W297 HydrophobicContact CB-CB 4.42Å; L269-W297 HydrophobicContact CD2-CB 4.18Å; L269-W297 HydrophobicContact CD2-CD2 3.93Å; L269-W297 HydrophobicContact CD2-CE3 3.4Å; L269-W297 HydrophobicContact CD2-CG 4.28Å; L269-W297 HydrophobicContact CD2-CZ3 4.02Å; H295-W297 WeakPolarHBondContact ND1-CB 3.18Å; H295-W297 PolarHBondContact ND1-N 3.29Å; H295-W297 PolarHBondContact O-N 3.29Å; H295-W297 VanDerWaalsContact O-N 3.15Å
298F98.9Very high98.2Very high4 Ų450 Ų502%0.01829%0.285CS..G310 helixtrans-98.611174.6-72.7-72.7000113.4R145 A148 A149 V152 L269 I292 H295 K296 T300 T301 W303R145-F298 HydrophobicContact CG-CD1 3.68Å; R145-F298 HydrophobicContact CG-CE1 3.83Å; A148-F298 HydrophobicContact CB-CE1 4.09Å; A148-F298 HydrophobicContact CB-CZ 3.91Å; A149-F298 HydrophobicContact CB-CE1 4.26Å; V152-F298 HydrophobicContact CG2-CZ 4.27Å; L269-F298 HydrophobicContact CD1-CE2 4.45Å; L269-F298 HydrophobicContact CD2-CD2 4.25Å; L269-F298 HydrophobicContact CD2-CE2 3.67Å; L269-F298 HydrophobicContact CD2-CZ 4.4Å; I292-F298 HydrophobicContact CG2-CD2 4.19Å; I292-F298 HydrophobicContact CG2-CE2 3.68Å; I292-F298 VanDerWaalsContact O-CD2 3.32Å; I292-F298 WeakPolarHBondContact O-CD2 3.33Å; H295-F298 PolarHBondContact O-N 3.15Å; K296-F298 PolarHBondContact O-N 3.45Å; F298-T300 PolarHBondContact O-N 3.1Å; F298-T301 VanDerWaalsContact O-CB 3.28Å; F298-T301 WeakPolarHBondContact O-CB 3.39Å; F298-T301 PolarHBondContact O-N 3.4Å; F298-W303 HydrophobicContact CB-CZ2 3.82Å; F298-W303 AromaticContact CD1-CH2 3.83Å; F298-W303 HydrophobicContact CD1-CH2 3.83Å; F298-W303 AromaticContact CD1-CZ2 3.89Å; F298-W303 HydrophobicContact CD1-CZ2 3.89Å; F298-W303 HydrophobicContact CD2-CZ2 4.45Å; F298-W303 HydrophobicContact CE1-CH2 4.05Å; F298-W303 HydrophobicContact CG-CH2 4.09Å; F298-W303 AromaticContact CG-CZ2 3.82Å; F298-W303 HydrophobicContact CG-CZ2 3.82Å; F298-W303 HydrophobicContact CZ-CH2 4.49Å
299A98.4Very high98.3Very high85 Ų8552.3 Ų52.370%0.70229%0.29SS*.THydrogen-bonded Turntrans-59.4-25.6-174.900000113.9H295 K296H295-A299 PolarHBondContact O-N 3.23Å; K296-A299 WeakPolarHBondContact O-CB 3.33Å; K296-A299 PolarHBondContact O-N 2.85Å
300T98Very high98.3Very high108 Ų10858.6 Ų58.666%0.66332%0.315SS*.THydrogen-bonded Turntrans-92.34.2177.869.60000113.4R145 F298R145-T300 PolarHBondContact NH1-OG1 3.26Å; F298-T300 PolarHBondContact O-N 3.1Å
301T98.6Very high98.3Very high23 Ų2356.9 Ų56.914%0.14131%0.308CS..  trans-90.4115.8-175.5-64.10000110.3R145 A149 F298 W303 I306R145-T301 WeakPolarHBondContact CD-OG1 3.27Å; A149-T301 HydrophobicContact CB-CG2 3.74Å; F298-T301 VanDerWaalsContact O-CB 3.28Å; F298-T301 WeakPolarHBondContact O-CB 3.39Å; F298-T301 PolarHBondContact O-N 3.4Å; T301-W303 HydrophobicContact CG2-CD2 3.88Å; T301-W303 HydrophobicContact CG2-CE3 4.13Å; T301-W303 HydrophobicContact CG2-CG 4.36Å; T301-W303 HydrophobicContact CG2-CH2 4.26Å; T301-W303 HydrophobicContact CG2-CZ2 3.99Å; T301-W303 HydrophobicContact CG2-CZ3 4.33Å; T301-W303 PolarHBondContact O-N 3.43Å; T301-I306 HydrophobicContact CG2-CG1 4.27Å
302D97.9Very high98.3Very high93 Ų9364.1 Ų64.150%0.49734%0.341SS..  trans-83.498.9165.3-175-25.3000109.5I304 A305 I306D302-I304 VanDerWaalsContact C-N 3.3Å; D302-I304 PolarHBondContact O-N 2.99Å; D302-I304 PolarHBondContact OD1-N 2.81Å; D302-I304 VanDerWaalsContact OD1-N 3.08Å; D302-A305 HydrophobicContact CB-CB 3.84Å; D302-A305 VanDerWaalsContact CG-CB 3.41Å; D302-A305 PolarHBondContact O-N 3.05Å; D302-A305 PolarHBondContact OD1-N 3.12Å; D302-I306 VanDerWaalsContact O-CG1 3.26Å; D302-I306 WeakPolarHBondContact O-CG1 3.37Å; D302-I306 PolarHBondContact O-N 2.91Å
303W98Very high98.2Very high39 Ų3964.7 Ų64.715%0.14835%0.345CS..Hα-helixtrans-61.2-35.6-177-6499.5000113.4A149 V152 L153 K293 F298 T301 Y307A149-W303 HydrophobicContact CB-CE3 4.41Å; A149-W303 HydrophobicContact CB-CH2 4.16Å; A149-W303 HydrophobicContact CB-CZ3 3.8Å; A149-W303 WeakPolarHBondContact O-CZ3 3.42Å; V152-W303 HydrophobicContact CB-CH2 4.05Å; V152-W303 HydrophobicContact CB-CZ3 3.84Å; V152-W303 HydrophobicContact CG1-CH2 3.79Å; V152-W303 HydrophobicContact CG1-CZ3 3.68Å; V152-W303 HydrophobicContact CG2-CH2 4.39Å; L153-W303 HydrophobicContact CD1-CE3 4.2Å; L153-W303 HydrophobicContact CD2-CE3 3.87Å; L153-W303 HydrophobicContact CG-CE3 3.84Å; L153-W303 HydrophobicContact CG-CZ3 4.2Å; K293-W303 VanDerWaalsContact CA-CZ2 3.48Å; K293-W303 HydrophobicContact CB-CD2 4.45Å; K293-W303 HydrophobicContact CB-CH2 4.41Å; K293-W303 HydrophobicContact CB-CZ2 3.75Å; K293-W303 HydrophobicContact CD-CD2 4.46Å; K293-W303 HydrophobicContact CG-CD2 4.08Å; K293-W303 HydrophobicContact CG-CE3 4.25Å; K293-W303 HydrophobicContact CG-CH2 3.83Å; K293-W303 HydrophobicContact CG-CZ2 3.66Å; K293-W303 HydrophobicContact CG-CZ3 4.11Å; K293-W303 PolarHBondContact O-NE1 3.49Å; F298-W303 HydrophobicContact CB-CZ2 3.82Å; F298-W303 AromaticContact CD1-CH2 3.83Å; F298-W303 HydrophobicContact CD1-CH2 3.83Å; F298-W303 AromaticContact CD1-CZ2 3.89Å; F298-W303 HydrophobicContact CD1-CZ2 3.89Å; F298-W303 HydrophobicContact CD2-CZ2 4.45Å; F298-W303 HydrophobicContact CE1-CH2 4.05Å; F298-W303 HydrophobicContact CG-CH2 4.09Å; F298-W303 AromaticContact CG-CZ2 3.82Å; F298-W303 HydrophobicContact CG-CZ2 3.82Å; F298-W303 HydrophobicContact CZ-CH2 4.49Å; T301-W303 HydrophobicContact CG2-CD2 3.88Å; T301-W303 HydrophobicContact CG2-CE3 4.13Å; T301-W303 HydrophobicContact CG2-CG 4.36Å; T301-W303 HydrophobicContact CG2-CH2 4.26Å; T301-W303 HydrophobicContact CG2-CZ2 3.99Å; T301-W303 HydrophobicContact CG2-CZ3 4.33Å; T301-W303 PolarHBondContact O-N 3.43Å; W303-Y307 WeakPolarHBondContact O-CB 3.36Å; W303-Y307 PolarHBondContact O-N 2.85Å
304I96.9Very high98.2Very high81 Ų8166.1 Ų66.142%0.41536%0.358SS..Hα-helixtrans-74.3-44.5-178.9-62.5175.3000109.3D302 I306 Y307 Q308D302-I304 VanDerWaalsContact C-N 3.3Å; D302-I304 PolarHBondContact O-N 2.99Å; D302-I304 PolarHBondContact OD1-N 2.81Å; D302-I304 VanDerWaalsContact OD1-N 3.08Å; I304-I306 VanDerWaalsContact C-N 3.31Å; I304-I306 PolarHBondContact O-N 2.93Å; I304-Y307 PolarHBondContact O-N 3.04Å; I304-Q308 HydrophobicContact CG2-CG 4.34Å; I304-Q308 WeakPolarHBondContact O-CB 3.3Å; I304-Q308 VanDerWaalsContact O-CG 3.31Å; I304-Q308 WeakPolarHBondContact O-CG 3.29Å; I304-Q308 PolarHBondContact O-N 3.01Å
305A97.7Very high98Very high15 Ų1565.2 Ų65.212%0.12434%0.336CS..Hα-helixtrans-63.2-37.7176.300000112D302 Q308 K309 K310 V311D302-A305 HydrophobicContact CB-CB 3.84Å; D302-A305 VanDerWaalsContact CG-CB 3.41Å; D302-A305 PolarHBondContact O-N 3.05Å; D302-A305 PolarHBondContact OD1-N 3.12Å; A305-Q308 PolarHBondContact O-N 3.37Å; A305-K309 PolarHBondContact O-N 3.44Å; A305-K310 HydrophobicContact CB-CB 4.25Å; A305-K310 PolarHBondContact O-N 3.28Å; A305-V311 HydrophobicContact CB-CG2 3.69Å
306I98.5Very high97.9Very high7 Ų768.2 Ų68.24%0.03636%0.355CS..Hα-helixtrans-60.7-53.9172.4-68.7-71.7000110.1F103 F146 A149 Q150 L153 T301 D302 I304 Q308 K309 V311F103-I306 HydrophobicContact CE2-CG2 4.35Å; F103-I306 HydrophobicContact CZ-CG2 4.01Å; F103-I306 WeakPolarHBondContact CZ-O 3.26Å; F146-I306 HydrophobicContact CD2-CD1 3.6Å; F146-I306 HydrophobicContact CE2-CD1 3.74Å; A149-I306 HydrophobicContact CB-CG1 4.45Å; A149-I306 HydrophobicContact CB-CG2 4.39Å; Q150-I306 HydrophobicContact CG-CG2 3.73Å; L153-I306 HydrophobicContact CD1-CB 4.32Å; L153-I306 HydrophobicContact CD1-CG2 3.8Å; T301-I306 HydrophobicContact CG2-CG1 4.27Å; D302-I306 VanDerWaalsContact O-CG1 3.26Å; D302-I306 WeakPolarHBondContact O-CG1 3.37Å; D302-I306 PolarHBondContact O-N 2.91Å; I304-I306 VanDerWaalsContact C-N 3.31Å; I304-I306 PolarHBondContact O-N 2.93Å; I306-Q308 VanDerWaalsContact C-N 3.27Å; I306-Q308 PolarHBondContact O-N 2.7Å; I306-K309 PolarHBondContact O-N 3.35Å; I306-V311 HydrophobicContact CD1-CB 3.91Å; I306-V311 HydrophobicContact CD1-CG1 4.21Å; I306-V311 HydrophobicContact CD1-CG2 3.77Å; I306-V311 HydrophobicContact CG1-CG2 4.1Å
307Y98.1Very high97.7Very high74 Ų7461.2 Ų61.229%0.2933%0.325SS..Hα-helixtrans-54.7-41.7179.1172.9-101.1000112.7F19 F101 P102 W303 I304 K309F19-Y307 AromaticContact CE2-CZ 3.95Å; F19-Y307 WeakPolarHBondContact CE2-OH 3.44Å; F19-Y307 AromaticContact CZ-CE2 3.97Å; F19-Y307 HydrophobicContact CZ-CE2 3.97Å; F19-Y307 AromaticContact CZ-CZ 3.78Å; F19-Y307 VanDerWaalsContact CZ-OH 3.23Å; F19-Y307 WeakPolarHBondContact CZ-OH 3.47Å; F101-Y307 HydrophobicContact CD2-CE2 4.23Å; F101-Y307 AromaticContact CE2-CD2 3.98Å; F101-Y307 HydrophobicContact CE2-CD2 3.98Å; F101-Y307 AromaticContact CE2-CE2 3.58Å; F101-Y307 HydrophobicContact CE2-CE2 3.58Å; F101-Y307 AromaticContact CZ-CD2 3.89Å; F101-Y307 HydrophobicContact CZ-CD2 3.89Å; F101-Y307 AromaticContact CZ-CE2 3.98Å; F101-Y307 HydrophobicContact CZ-CE2 3.98Å; P102-Y307 HydrophobicContact CG-CD2 3.97Å; P102-Y307 HydrophobicContact CG-CE2 3.54Å; W303-Y307 WeakPolarHBondContact O-CB 3.36Å; W303-Y307 PolarHBondContact O-N 2.85Å; I304-Y307 PolarHBondContact O-N 3.04Å; Y307-K309 PolarHBondContact O-N 3Å
308Q97.6Very high97.4Very high95 Ų9569.8 Ų69.844%0.44436%0.363SS..THydrogen-bonded Turntrans-79.74.1179.8-66.7-179.9-5.500113.9I304 A305 I306 K310I304-Q308 HydrophobicContact CG2-CG 4.34Å; I304-Q308 WeakPolarHBondContact O-CB 3.3Å; I304-Q308 VanDerWaalsContact O-CG 3.31Å; I304-Q308 WeakPolarHBondContact O-CG 3.29Å; I304-Q308 PolarHBondContact O-N 3.01Å; A305-Q308 PolarHBondContact O-N 3.37Å; I306-Q308 VanDerWaalsContact C-N 3.27Å; I306-Q308 PolarHBondContact O-N 2.7Å; Q308-K310 VanDerWaalsContact C-N 3.28Å; Q308-K310 HydrophobicContact CB-CD 4.02Å; Q308-K310 HydrophobicContact CB-CG 3.96Å; Q308-K310 PolarHBondContact O-N 3.16Å
309K98.3Very high97.1Very high67 Ų6772.6 Ų72.629%0.29138%0.375SS..THydrogen-bonded Turntrans52.740.2-174-61.3-166.5177.3-172.60114.1P102 F103 D176 Y180 Q182 A305 I306 Y307P102-K309 VanDerWaalsContact O-CE 3.3Å; P102-K309 WeakPolarHBondContact O-CE 3.48Å; P102-K309 PolarHBondContact O-NZ 3.4Å; F103-K309 HydrophobicContact CE1-CG 4.12Å; D176-K309 IonicContact OD2-NZ 2.7Å; D176-K309 PolarHBondContact OD2-NZ 3.23Å; Y180-K309 HydrophobicContact CD1-CD 4.33Å; Y180-K309 HydrophobicContact CD1-CG 3.92Å; Y180-K309 HydrophobicContact CD2-CB 4.42Å; Y180-K309 HydrophobicContact CD2-CD 4.29Å; Y180-K309 HydrophobicContact CD2-CG 4.33Å; Y180-K309 HydrophobicContact CE1-CB 4.19Å; Y180-K309 HydrophobicContact CE1-CG 3.91Å; Y180-K309 HydrophobicContact CE2-CB 4.01Å; Y180-K309 HydrophobicContact CE2-CG 4.32Å; Y180-K309 HydrophobicContact CG-CD 4.08Å; Y180-K309 HydrophobicContact CG-CG 4.13Å; Y180-K309 VanDerWaalsContact OH-C 3.3Å; Y180-K309 VanDerWaalsContact OH-CA 3.29Å; Y180-K309 WeakPolarHBondContact OH-CA 3.44Å; Q182-K309 VanDerWaalsContact NE2-NZ 3.15Å; A305-K309 PolarHBondContact O-N 3.44Å; I306-K309 PolarHBondContact O-N 3.35Å; Y307-K309 PolarHBondContact O-N 3Å
310K98.1Very high96.7Very high150 Ų15078 Ų7865%0.65238%0.383SS*.  trans-99.6-4.1-178.4-71.5-178.3176.3170.80114.5A305 Q308A305-K310 HydrophobicContact CB-CB 4.25Å; A305-K310 PolarHBondContact O-N 3.28Å; Q308-K310 VanDerWaalsContact C-N 3.28Å; Q308-K310 HydrophobicContact CB-CD 4.02Å; Q308-K310 HydrophobicContact CB-CG 3.96Å; Q308-K310 PolarHBondContact O-N 3.16Å
311V98.2Very high96.4Very high50 Ų5073.7 Ų73.730%0.30336%0.36SS..SBendtrans-92.2132.6177.8-179.70000108F146 Y180 A305 I306 A313F146-V311 HydrophobicContact CD2-CG1 4.11Å; F146-V311 HydrophobicContact CE2-CB 4.13Å; F146-V311 HydrophobicContact CE2-CG1 4Å; Y180-V311 WeakPolarHBondContact CE2-O 3.38Å; Y180-V311 PolarHBondContact OH-N 3.4Å; Y180-V311 VanDerWaalsContact OH-N 3.09Å; Y180-V311 PolarHBondContact OH-O 2.85Å; A305-V311 HydrophobicContact CB-CG2 3.69Å; I306-V311 HydrophobicContact CD1-CB 3.91Å; I306-V311 HydrophobicContact CD1-CG1 4.21Å; I306-V311 HydrophobicContact CD1-CG2 3.77Å; I306-V311 HydrophobicContact CG1-CG2 4.1Å; V311-A313 PolarHBondContact O-N 3.08Å
312E98.3Very high95.9Very high182 Ų18276.5 Ų76.585%0.8538%0.379SS*.PPolyproline II helixtrans-62.9127.6174.5-171.7177.5175.800110.1
313A98.3Very high95.6Very high12 Ų1273.5 Ų73.510%0.09937%0.37CS..PPolyproline II helixtrans-71.6141.1-179.600000110.7F146 Q178 V311 F315F146-A313 HydrophobicContact CE1-CB 3.92Å; F146-A313 HydrophobicContact CZ-CB 3.78Å; Q178-A313 WeakPolarHBondContact O-CB 3.21Å; V311-A313 PolarHBondContact O-N 3.08Å; A313-F315 PolarHBondContact O-N 3.16Å
314P97.3Very high95.6Very high66 Ų6672.9 Ų72.943%0.42937%0.37SS..SBendtrans-66.6-17.9178.628.5-36.4000113.2H143 F146H143-P314 HydrophobicContact CB-CB 4.04Å; H143-P314 HydrophobicContact CB-CG 4.16Å; H143-P314 WeakPolarHBondContact CD2-CG 3.49Å; F146-P314 HydrophobicContact CB-CG 4.26Å; F146-P314 HydrophobicContact CD1-CG 3.83Å; F146-P314 HydrophobicContact CE1-CG 4.44Å; F146-P314 HydrophobicContact CG-CG 4.16Å
315F95.7Very high95.5Very high45 Ų4570.1 Ų70.120%0.19736%0.357CS..  trans-148.9127.9179.2168.9-104000109.4H132 I175 G179 A313 P317H132-F315 AromaticContact CE1-CE1 3.57Å; H132-F315 AromaticContact CE1-CZ 3.53Å; H132-F315 AromaticContact CG-CE1 3.88Å; H132-F315 AromaticContact ND1-CE1 3.51Å; H132-F315 AromaticContact ND1-CZ 3.39Å; H132-F315 WeakPolarHBondContact ND1-CZ 3.21Å; H132-F315 AromaticContact NE2-CE1 3.94Å; I175-F315 HydrophobicContact CD1-CD1 3.98Å; I175-F315 HydrophobicContact CD1-CE1 4.07Å; I175-F315 HydrophobicContact CG2-CD1 4.45Å; G179-F315 WeakPolarHBondContact CA-O 3.3Å; A313-F315 PolarHBondContact O-N 3.16Å; F315-P317 HydrophobicContact CE1-CB 3.96Å; F315-P317 HydrophobicContact CZ-CB 4.15Å
316V96.5Very high95.5Very high80 Ų8073.1 Ų73.149%0.48538%0.377SS..  trans-111.6123.6170.7179.30000107.9Q177Q177-V316 WeakPolarHBondContact O-CG1 3.24Å
317P94.3Very high95.3Very high5 Ų573.8 Ų73.83%0.03238%0.38CS..  trans-66.8142.4-178.127.1-33.2000111I175 D176 F315 F319I175-P317 HydrophobicContact CG2-CG 4.04Å; D176-P317 WeakPolarHBondContact O-CD 3.25Å; D176-P317 VanDerWaalsContact O-CG 3.23Å; D176-P317 WeakPolarHBondContact O-CG 3.02Å; F315-P317 HydrophobicContact CE1-CB 3.96Å; F315-P317 HydrophobicContact CZ-CB 4.15Å; P317-F319 WeakPolarHBondContact O-CD1 3.31Å
318K92.8Very high95.2Very high185 Ų18571.4 Ų71.480%0.80437%0.371SS*.  trans-82.3128.4172.7-64.3-177.8-179.2179.80108.9N327K318-N327 PolarHBondContact O-ND2 3.18Å
319F91.6Very high94.9Very high62 Ų6271.7 Ų71.727%0.27238%0.376SS..  trans-152.5155.2171.766-80.1000109.4P125 Q177 P317 G321 D324P125-F319 HydrophobicContact CB-CD2 4.38Å; P125-F319 HydrophobicContact CB-CG 4.41Å; P125-F319 HydrophobicContact CG-CD2 4.29Å; P125-F319 HydrophobicContact CG-CE2 4.34Å; P125-F319 HydrophobicContact CG-CG 4.43Å; Q177-F319 HydrophobicContact CB-CE1 3.82Å; Q177-F319 HydrophobicContact CB-CZ 3.7Å; Q177-F319 HydrophobicContact CG-CE1 3.75Å; Q177-F319 HydrophobicContact CG-CE2 4.11Å; Q177-F319 HydrophobicContact CG-CZ 3.38Å; P317-F319 WeakPolarHBondContact O-CD1 3.31Å; F319-G321 WeakPolarHBondContact CD2-O 3.47Å; F319-D324 WeakPolarHBondContact CA-OD2 3.4Å; F319-D324 HydrophobicContact CB-CB 4.19Å
320K90.8Very high94.6Very high198 Ų19875 Ų7586%0.86140%0.397SS*.SBendtrans-96.7-11-171.7-63.6177-177.4173.30113.8D324K320-D324 HydrophobicContact CB-CB 4.43Å; K320-D324 PolarHBondContact N-OD2 2.9Å
321G90.4Very high94.4Very high19 Ų1971.4 Ų71.420%0.19638%0.38CS..SBendtrans167179.6177.300000113.4F319 G323 D324F319-G321 WeakPolarHBondContact CD2-O 3.47Å; G321-G323 PolarHBondContact O-N 3.47Å; G321-G323 VanDerWaalsContact O-N 3.11Å; G321-D324 VanDerWaalsContact O-CB 3.31Å; G321-D324 WeakPolarHBondContact O-CB 3.47Å; G321-D324 PolarHBondContact O-N 3.08Å
322P88.9Confident94.2Very high81 Ų8176.7 Ų76.753%0.52640%0.401SS..THydrogen-bonded Turntrans-62.1-19.7-173-25.935.4000116.1Y123Y123-P322 VanDerWaalsContact CD1-O 3.25Å; Y123-P322 WeakPolarHBondContact CD1-O 3.49Å; Y123-P322 WeakPolarHBondContact CE1-O 3.13Å
323G92.5Very high94Very high30 Ų3072.5 Ų72.531%0.30938%0.382SS..THydrogen-bonded Turntrans-106.89.8175.900000113.9G321 T325G321-G323 PolarHBondContact O-N 3.47Å; G321-G323 VanDerWaalsContact O-N 3.11Å; G323-T325 PolarHBondContact O-N 2.77Å
324D96.3Very high93.6Very high27 Ų2778 Ų7814%0.14441%0.405CS..  trans-71.1127.5179.1-175.511.8000110.9Y123 F319 K320 G321 S326Y123-D324 PolarHBondContact OH-O 2.95Å; F319-D324 WeakPolarHBondContact CA-OD2 3.4Å; F319-D324 HydrophobicContact CB-CB 4.19Å; K320-D324 HydrophobicContact CB-CB 4.43Å; K320-D324 PolarHBondContact N-OD2 2.9Å; G321-D324 VanDerWaalsContact O-CB 3.31Å; G321-D324 WeakPolarHBondContact O-CB 3.47Å; G321-D324 PolarHBondContact O-N 3.08Å; D324-S326 WeakPolarHBondContact OD1-CB 3.45Å; D324-S326 PolarHBondContact OD1-N 2.93Å; D324-S326 PolarHBondContact OD1-OG 3.3Å; D324-S326 PolarHBondContact OD2-OG 2.96Å
325T96.4Very high93.2Very high23 Ų2381.7 Ų81.714%0.14142%0.417CS..  trans-112.312.2-178.355.80000112.8K48 L50 L60 G323 N327 F328K48-T325 HydrophobicContact CB-CG2 4.43Å; K48-T325 HydrophobicContact CD-CG2 3.98Å; K48-T325 VanDerWaalsContact CD-OG1 3.24Å; K48-T325 WeakPolarHBondContact CD-OG1 3.39Å; K48-T325 PolarHBondContact NZ-OG1 3.3Å; L50-T325 HydrophobicContact CD2-CG2 3.8Å; L60-T325 HydrophobicContact CB-CG2 4.49Å; L60-T325 HydrophobicContact CD2-CG2 3.44Å; L60-T325 VanDerWaalsContact CD2-CG2 3.44Å; G323-T325 PolarHBondContact O-N 2.77Å; T325-N327 PolarHBondContact O-N 3.29Å; T325-N327 VanDerWaalsContact O-N 3.07Å; T325-F328 PolarHBondContact O-N 3.15Å
326S95.9Very high92.7Very high78 Ų7880.7 Ų80.755%0.54541%0.413SS..THydrogen-bonded Turntrans-64.9-13.8-175.171.70000115.3D324D324-S326 WeakPolarHBondContact OD1-CB 3.45Å; D324-S326 PolarHBondContact OD1-N 2.93Å; D324-S326 PolarHBondContact OD1-OG 3.3Å; D324-S326 PolarHBondContact OD2-OG 2.96Å
327N95.8Very high92.5Very high21 Ų2185.6 Ų85.611%0.11242%0.423CS..THydrogen-bonded Turntrans-93.25174.4-63.3-58.3000113.1P125 G126 K318 T325P125-N327 PolarHBondContact O-ND2 3.47Å; P125-N327 VanDerWaalsContact O-ND2 3.09Å; G126-N327 WeakPolarHBondContact O-CB 3.37Å; K318-N327 PolarHBondContact O-ND2 3.18Å; T325-N327 PolarHBondContact O-N 3.29Å; T325-N327 VanDerWaalsContact O-N 3.07Å
328F94.3Very high92.5Very high23 Ų2388.5 Ų88.510%0.10144%0.44CS..SBendtrans-117.2145.9175.7-65.9-93.8000109.6L50 Y123 V124 T325L50-F328 HydrophobicContact CB-CD1 3.98Å; L50-F328 HydrophobicContact CB-CE1 4.27Å; L50-F328 HydrophobicContact CB-CG 4.47Å; L50-F328 HydrophobicContact CD2-CB 4.19Å; L50-F328 HydrophobicContact CD2-CD1 4.1Å; L50-F328 HydrophobicContact CD2-CD2 3.91Å; L50-F328 HydrophobicContact CD2-CE1 4.48Å; L50-F328 HydrophobicContact CD2-CE2 4.32Å; L50-F328 HydrophobicContact CD2-CG 3.8Å; Y123-F328 HydrophobicContact CE2-CD2 4.49Å; Y123-F328 AromaticContact CE2-CE2 3.68Å; Y123-F328 HydrophobicContact CE2-CE2 3.68Å; Y123-F328 AromaticContact CE2-CZ 3.91Å; Y123-F328 HydrophobicContact CE2-CZ 3.91Å; Y123-F328 AromaticContact CZ-CE2 3.85Å; Y123-F328 VanDerWaalsContact OH-CE2 3.22Å; Y123-F328 WeakPolarHBondContact OH-CE2 3.23Å; V124-F328 WeakPolarHBondContact O-CZ 3.42Å; T325-F328 PolarHBondContact O-N 3.15Å
329D92Very high92.6Very high101 Ų10181.1 Ų81.154%0.5441%0.412SS..  trans-68.8160.9176.9-65.9-28.8000111.4Y331D329-Y331 HydrophobicContact CB-CE2 3.98Å; D329-Y331 WeakPolarHBondContact O-CD2 3.39Å
330D93.2Very high92.8Very high137 Ų13788.2 Ų88.273%0.73344%0.443SS*.  trans-84.8129.8174.3-68.8-43.2000110.3K48K48-D330 WeakPolarHBondContact CE-OD1 3.33Å; K48-D330 IonicContact NZ-OD1 2.68Å; K48-D330 PolarHBondContact NZ-OD1 3.15Å
331Y93.8Very high93Very high75 Ų7582.6 Ų82.629%0.29443%0.425SS..  trans-121.1155.3177.2-65.2-90.7000110.4T49 L50 T52 D329 E333T49-Y331 HydrophobicContact CG2-CD2 4.3Å; T49-Y331 HydrophobicContact CG2-CG 4.12Å; L50-Y331 WeakPolarHBondContact O-CE2 3.37Å; T52-Y331 HydrophobicContact CG2-CD1 3.88Å; T52-Y331 HydrophobicContact CG2-CG 4.29Å; D329-Y331 HydrophobicContact CB-CE2 3.98Å; D329-Y331 WeakPolarHBondContact O-CD2 3.39Å; Y331-E333 PolarHBondContact O-N 3.08Å
332E93.4Very high93.4Very high161 Ų16187 Ų8775%0.75244%0.441SS*.  trans-65.2129174.1-169.8176.6174.200111.2R57 E334R57-E332 PolarHBondContact NH2-O 3.34Å; E332-E334 PolarHBondContact O-N 3.32Å
333E93.2Very high93.8Very high94 Ų9486 Ų8644%0.43943%0.429SS..  trans-83.6102.2-179.7-64.3-62.517200111.2K48 T49 R57 Y331K48-E333 WeakPolarHBondContact CA-OE1 3.49Å; T49-E333 PolarHBondContact N-OE1 2.87Å; T49-E333 PolarHBondContact N-OE2 3.32Å; T49-E333 PolarHBondContact OG1-OE2 2.95Å; R57-E333 IonicContact NH2-OE2 2.92Å; Y331-E333 PolarHBondContact O-N 3.08Å
334E89.5Confident94Very high128 Ų12885.9 Ų85.960%0.59842%0.422SS*.  trans-88.7147.4170.7-51.1-179.3173.900113.1R57 E332 I336R57-E334 VanDerWaalsContact NH1-N 3.1Å; R57-E334 PolarHBondContact NH1-O 2.82Å; E332-E334 PolarHBondContact O-N 3.32Å; E334-I336 PolarHBondContact O-N 3.5Å
335E88.9Confident94Very high143 Ų14386.3 Ų86.367%0.66843%0.43SS*.  trans-65.9130.2170.2-69.2-176.4151.300112.1R337E335-R337 HydrophobicContact CB-CG 4.36Å; E335-R337 PolarHBondContact O-N 2.99Å; E335-R337 IonicContact OE2-CZ 3.75Å; E335-R337 IonicContact OE2-NE 2.82Å; E335-R337 PolarHBondContact OE2-NE 3.09Å; E335-R337 IonicContact OE2-NH2 3.79Å; E335-R337 PolarHBondContact OE2-NH2 3.13Å
336I87.1Confident94.1Very high23 Ų2394.4 Ų94.412%0.11846%0.463CS..  trans-78.8105165.3-49.6172.9000108.4M59 I74 N116 E334M59-I336 HydrophobicContact SD-CD1 3.76Å; M59-I336 HydrophobicContact SD-CG1 4.24Å; I74-I336 HydrophobicContact CD1-CD1 3.33Å; I74-I336 HydrophobicContact CD1-CG1 4.25Å; I74-I336 HydrophobicContact CG1-CD1 4.06Å; I74-I336 HydrophobicContact CG2-CD1 4.47Å; I74-I336 HydrophobicContact CG2-CG2 4.22Å; N116-I336 WeakPolarHBondContact ND2-CG2 3.47Å; E334-I336 PolarHBondContact O-N 3.5Å
337R90.9Very high94.2Very high184 Ų18494.5 Ų94.569%0.69446%0.455SS*.  trans-89.4134.3176.2-64.8-175.8176.8178.70.6111.3N116 E335N116-R337 PolarHBondContact ND2-O 3.4Å; E335-R337 HydrophobicContact CB-CG 4.36Å; E335-R337 PolarHBondContact O-N 2.99Å; E335-R337 IonicContact OE2-CZ 3.75Å; E335-R337 IonicContact OE2-NE 2.82Å; E335-R337 PolarHBondContact OE2-NE 3.09Å; E335-R337 IonicContact OE2-NH2 3.79Å; E335-R337 PolarHBondContact OE2-NH2 3.13Å
338V94.8Very high94.3Very high65 Ų6593.5 Ų93.539%0.39445%0.45SS..  trans-112122.4172.7-174.30000108.4L41 D113 N114L41-V338 HydrophobicContact CD2-CG2 4.36Å; D113-V338 HydrophobicContact CB-CG1 4.14Å; D113-V338 VanDerWaalsContact OD2-CG2 3.22Å; D113-V338 WeakPolarHBondContact OD2-CG2 3.38Å; N114-V338 HydrophobicContact CB-CG1 4.2Å
339S95.1Very high94.4Very high31 Ų3195.4 Ų95.422%0.21747%0.47CS..  trans-70146.7178.6168.50000110.8N114 T115 T341 K343N114-S339 WeakPolarHBondContact CB-O 3.36Å; N114-S339 PolarHBondContact ND2-O 2.9Å; T115-S339 WeakPolarHBondContact OG1-CB 3.43Å; T115-S339 PolarHBondContact OG1-N 3.43Å; S339-T341 WeakPolarHBondContact CB-O 3.3Å; S339-T341 PolarHBondContact O-N 3.41Å; S339-T341 PolarHBondContact OG-N 2.94Å; S339-T341 PolarHBondContact OG-O 3.32Å; S339-T341 PolarHBondContact OG-OG1 3.35Å; S339-T341 VanDerWaalsContact OG-OG1 3.13Å; S339-K343 WeakPolarHBondContact OG-CE 3.4Å
340F95Very high94.6Very high210 Ų21097 Ų9792%0.92147%0.474SS*.SBendtrans-67.8-21.2169.6-63.9-72.1000113.4N114N114-F340 PolarHBondContact ND2-O 2.83Å
341T96.5Very high94.8Very high80 Ų8090.6 Ų90.649%0.49144%0.439SS..SBendtrans-111.1137.1179.252.90000111.1S339 K343S339-T341 WeakPolarHBondContact CB-O 3.3Å; S339-T341 PolarHBondContact O-N 3.41Å; S339-T341 PolarHBondContact OG-N 2.94Å; S339-T341 PolarHBondContact OG-O 3.32Å; S339-T341 PolarHBondContact OG-OG1 3.35Å; S339-T341 VanDerWaalsContact OG-OG1 3.13Å; T341-K343 PolarHBondContact O-N 2.93Å; T341-K343 WeakPolarHBondContact OG1-CE 3.33Å; T341-K343 PolarHBondContact OG1-NZ 2.82Å
342E97.6Very high94.8Very high113 Ų11391.4 Ų91.453%0.52845%0.447SS..  trans-65.6130.6178.8-167.9177.2-160.600111.5N114 A345N114-E342 WeakPolarHBondContact OD1-CA 3.39Å; E342-A345 HydrophobicContact CG-CB 3.91Å; E342-A345 WeakPolarHBondContact OE1-CB 3.47Å; E342-A345 WeakPolarHBondContact OE2-CB 3.24Å
343K97.6Very high94.9Very high60 Ų6087.7 Ų87.726%0.26143%0.43SS..  trans-108.4139.4177.3-52.5-51.3-172.3-168.60110.3K77 Q78 N114 S339 T341 A345K77-K343 WeakPolarHBondContact CD-O 3.48Å; K77-K343 WeakPolarHBondContact CE-O 3.41Å; K77-K343 PolarHBondContact NZ-O 3.04Å; Q78-K343 HydrophobicContact CG-CB 4.11Å; Q78-K343 HydrophobicContact CG-CG 4.39Å; N114-K343 WeakPolarHBondContact O-CB 3.35Å; N114-K343 WeakPolarHBondContact O-CG 3.49Å; N114-K343 PolarHBondContact O-N 3.46Å; S339-K343 WeakPolarHBondContact OG-CE 3.4Å; T341-K343 PolarHBondContact O-N 2.93Å; T341-K343 WeakPolarHBondContact OG1-CE 3.33Å; T341-K343 PolarHBondContact OG1-NZ 2.82Å; K343-A345 PolarHBondContact O-N 2.63Å; K343-A345 VanDerWaalsContact O-N 3.17Å
344C97.3Very high95Very high26 Ų2687.3 Ų87.318%0.17643%0.43CS..SBendtrans5337.3170.5-49.30000114.3K77 V81 K346 E347 F348K77-C344 HydrophobicContact CB-CB 4.06Å; K77-C344 HydrophobicContact CD-CB 4.47Å; V81-C344 HydrophobicContact CG2-CB 4.15Å; C344-K346 VanDerWaalsContact C-N 3.31Å; C344-K346 PolarHBondContact O-N 3.15Å; C344-E347 WeakPolarHBondContact CA-OE2 3.44Å; C344-E347 HydrophobicContact CB-CB 4.35Å; C344-E347 PolarHBondContact O-N 3.28Å; C344-F348 HydrophobicContact CB-CD2 3.81Å; C344-F348 HydrophobicContact CB-CE2 3.79Å; C344-F348 WeakPolarHBondContact O-CD2 3.4Å; C344-F348 PolarHBondContact O-N 3.15Å
345A96.4Very high95.3Very high37 Ų3784.9 Ų84.931%0.30642%0.42SS..THydrogen-bonded Turntrans-59.2-41.9-175.100000112.4E342 K343 F348 A349E342-A345 HydrophobicContact CG-CB 3.91Å; E342-A345 WeakPolarHBondContact OE1-CB 3.47Å; E342-A345 WeakPolarHBondContact OE2-CB 3.24Å; K343-A345 PolarHBondContact O-N 2.63Å; K343-A345 VanDerWaalsContact O-N 3.17Å; A345-F348 CarbonylContact O-C 3.51Å; A345-F348 PolarHBondContact O-N 2.69Å; A345-A349 PolarHBondContact O-N 3.41Å; A345-A349 VanDerWaalsContact O-N 3.08Å
346K97.3Very high95.7Very high193 Ų19381.3 Ų81.384%0.83941%0.405SS*.THydrogen-bonded Turntrans-67.6-41.6-177.7-66.8-176.2178.6-178.90111.5C344 F348C344-K346 VanDerWaalsContact C-N 3.31Å; C344-K346 PolarHBondContact O-N 3.15Å; K346-F348 VanDerWaalsContact C-N 3.27Å; K346-F348 PolarHBondContact O-N 3.29Å
347E98.1Very high96.3Very high79 Ų7985.2 Ų85.237%0.36942%0.424SS..THydrogen-bonded Turntrans-66.1-30.6-177.8-64.190.414900112.4V81 I86 C344V81-E347 HydrophobicContact CG2-CB 4.41Å; V81-E347 HydrophobicContact CG2-CG 4.24Å; I86-E347 HydrophobicContact CD1-CB 4.2Å; I86-E347 HydrophobicContact CD1-CG 4.04Å; I86-E347 HydrophobicContact CG2-CB 4.39Å; C344-E347 WeakPolarHBondContact CA-OE2 3.44Å; C344-E347 HydrophobicContact CB-CB 4.35Å; C344-E347 PolarHBondContact O-N 3.28Å
348F97.9Very high96.7Very high1 Ų178.1 Ų78.10%0.00440%0.404CS..THydrogen-bonded Turntrans-117.424.9-177.2-57.8-70.3000113K77 V80 V81 I86 L90 K112 L117 C344 A345 K346 E350 F351K77-F348 HydrophobicContact CB-CD2 4.01Å; K77-F348 HydrophobicContact CB-CE2 3.7Å; K77-F348 HydrophobicContact CD-CB 4.5Å; K77-F348 HydrophobicContact CD-CD2 3.6Å; K77-F348 HydrophobicContact CD-CE2 4.21Å; K77-F348 HydrophobicContact CD-CG 4.31Å; K77-F348 HydrophobicContact CG-CD2 3.65Å; K77-F348 HydrophobicContact CG-CE2 3.77Å; K77-F348 HydrophobicContact CG-CG 4.44Å; V80-F348 HydrophobicContact CB-CZ 3.92Å; V80-F348 HydrophobicContact CG1-CE1 3.86Å; V80-F348 HydrophobicContact CG1-CZ 3.52Å; V81-F348 HydrophobicContact CG2-CE2 3.86Å; V81-F348 HydrophobicContact CG2-CZ 4.1Å; I86-F348 HydrophobicContact CB-CE1 4.47Å; I86-F348 HydrophobicContact CG1-CZ 4.2Å; I86-F348 HydrophobicContact CG2-CE1 4.03Å; I86-F348 HydrophobicContact CG2-CZ 4.46Å; L90-F348 HydrophobicContact CD2-CD1 4.3Å; K112-F348 PolarHBondContact NZ-O 3.32Å; L117-F348 HydrophobicContact CD1-CD1 3.55Å; L117-F348 HydrophobicContact CD1-CD2 4.48Å; L117-F348 HydrophobicContact CD1-CE1 3.64Å; L117-F348 HydrophobicContact CD1-CG 4Å; L117-F348 HydrophobicContact CD1-CZ 4.16Å; L117-F348 HydrophobicContact CD2-CB 4.01Å; L117-F348 HydrophobicContact CD2-CD1 4.34Å; L117-F348 HydrophobicContact CD2-CG 4.04Å; C344-F348 HydrophobicContact CB-CD2 3.81Å; C344-F348 HydrophobicContact CB-CE2 3.79Å; C344-F348 WeakPolarHBondContact O-CD2 3.4Å; C344-F348 PolarHBondContact O-N 3.15Å; A345-F348 CarbonylContact O-C 3.51Å; A345-F348 PolarHBondContact O-N 2.69Å; K346-F348 VanDerWaalsContact C-N 3.27Å; K346-F348 PolarHBondContact O-N 3.29Å; F348-E350 PolarHBondContact O-N 3.17Å; F348-F351 HydrophobicContact CB-CB 4.11Å; F348-F351 WeakPolarHBondContact O-CB 3.38Å; F348-F351 PolarHBondContact O-N 3.03Å; F348-F351 VanDerWaalsContact O-N 3.11Å
349A97.2Very high96.8Very high63 Ų6379.2 Ų79.252%0.52141%0.405SS..THydrogen-bonded Turntrans-56.7-39.6-18000000112K112 A345K112-A349 PolarHBondContact NZ-O 3.42Å; A345-A349 PolarHBondContact O-N 3.41Å; A345-A349 VanDerWaalsContact O-N 3.08Å
350E95.6Very high96.9Very high135 Ų13583.2 Ų83.263%0.63142%0.421SS*.THydrogen-bonded Turntrans-84.3-4.7-179.5-60-173.6175.100114.8Q36 F348Q36-E350 VanDerWaalsContact NE2-C 3.28Å; Q36-E350 PolarHBondContact NE2-O 3.09Å; F348-E350 PolarHBondContact O-N 3.17Å
351F97Very high97.1Very high1 Ų171.6 Ų71.60%0.00438%0.375CS..  trans-65.60178.7-172.1-81.9000111.4T89 L90 K93 F111 K112 L117 M119 F348T89-F351 HydrophobicContact CG2-CD2 4.29Å; T89-F351 HydrophobicContact CG2-CE2 3.97Å; L90-F351 HydrophobicContact CD2-CB 3.91Å; L90-F351 HydrophobicContact CD2-CD2 4.27Å; K93-F351 HydrophobicContact CB-CD2 4.24Å; K93-F351 HydrophobicContact CB-CE2 3.7Å; K93-F351 HydrophobicContact CB-CZ 4.11Å; K93-F351 WeakPolarHBondContact CD-OXT 3.17Å; K93-F351 VanDerWaalsContact CE-OXT 3.3Å; K93-F351 WeakPolarHBondContact CE-OXT 3.43Å; K93-F351 HydrophobicContact CG-CD2 4.44Å; K93-F351 HydrophobicContact CG-CE1 4.4Å; K93-F351 HydrophobicContact CG-CE2 3.96Å; K93-F351 HydrophobicContact CG-CZ 3.94Å; K93-F351 PolarHBondContact NZ-OXT 2.98Å; F111-F351 WeakPolarHBondContact O-CE1 3.3Å; K112-F351 HydrophobicContact CB-CD1 4.27Å; K112-F351 HydrophobicContact CD-CB 4.15Å; K112-F351 HydrophobicContact CD-CD1 4.33Å; K112-F351 PolarHBondContact NZ-O 3.35Å; L117-F351 HydrophobicContact CB-CD1 4.34Å; L117-F351 HydrophobicContact CB-CD2 4.36Å; L117-F351 HydrophobicContact CB-CE1 3.88Å; L117-F351 HydrophobicContact CB-CE2 3.9Å; L117-F351 HydrophobicContact CB-CZ 3.65Å; L117-F351 HydrophobicContact CD1-CD2 3.85Å; L117-F351 HydrophobicContact CD1-CE2 3.95Å; L117-F351 HydrophobicContact CD1-CG 4.36Å; L117-F351 HydrophobicContact CD2-CB 4.22Å; L117-F351 HydrophobicContact CD2-CD1 3.87Å; L117-F351 HydrophobicContact CD2-CD2 4.14Å; L117-F351 HydrophobicContact CD2-CE1 4.28Å; L117-F351 HydrophobicContact CD2-CG 3.8Å; L117-F351 HydrophobicContact CG-CD2 4.33Å; L117-F351 HydrophobicContact CG-CE2 4.33Å; L117-F351 HydrophobicContact CG-CG 4.46Å; L117-F351 HydrophobicContact CG-CZ 4.46Å; M119-F351 HydrophobicContact CG-CZ 3.92Å; M119-F351 HydrophobicContact SD-CZ 4.49Å; F348-F351 HydrophobicContact CB-CB 4.11Å; F348-F351 WeakPolarHBondContact O-CB 3.38Å; F348-F351 PolarHBondContact O-N 3.03Å; F348-F351 VanDerWaalsContact O-N 3.11Å

Retrieved 351 of 351 residues in 178.3 ms (Link to these results)

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