G4LYP0_SCHMA Loading...

Ribosomal protein L15

AlphaFold DB , UniProt , Accession G4LYP0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 204 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M61.4Low91.9Very high166 Ų16682.5 Ų82.582%0.81843%0.43SS*.  01140-151.7-176.5-65.300107.9K5 F6M1-K5 HydrophobicContact CG-CB 4.39Å; M1-K5 HydrophobicContact CG-CD 3.56Å; M1-K5 HydrophobicContact CG-CG 4.17Å; M1-K5 HydrophobicContact SD-CD 4.09Å; M1-K5 HydrophobicContact SD-CG 4.46Å; M1-F6 HydrophobicContact CB-CE2 4.37Å; M1-F6 HydrophobicContact SD-CE1 4.33Å; M1-F6 HydrophobicContact SD-CE2 4.5Å; M1-F6 HydrophobicContact SD-CZ 4.01Å
2G90.5Very high92.2Very high49 Ų4987.9 Ų87.951%0.50544%0.441SS..  trans-78.5155.3-17100000114.6Y4 K5G2-Y4 PolarHBondContact O-N 2.93Å; G2-Y4 VanDerWaalsContact O-N 3.1Å; G2-K5 VanDerWaalsContact O-CB 3.32Å; G2-K5 WeakPolarHBondContact O-CB 3.45Å; G2-K5 PolarHBondContact O-N 3.24Å
3A94.2Very high92.6Very high77 Ų7795.8 Ų95.864%0.63646%0.462SS*.Hα-helixtrans-50.9-37.7-178.600000114K5 F6 M7A3-K5 PolarHBondContact O-N 3.41Å; A3-F6 PolarHBondContact O-N 3.05Å; A3-M7 PolarHBondContact O-N 3.33Å
4Y95.1Very high92.8Very high110 Ų11094.6 Ų94.643%0.43145%0.454SS..Hα-helixtrans-65.2-23.6177.6-65.7-44.1000114.3G2 M7 Q8 D46 R49G2-Y4 PolarHBondContact O-N 2.93Å; G2-Y4 VanDerWaalsContact O-N 3.1Å; Y4-M7 HydrophobicContact CD1-SD 3.89Å; Y4-M7 HydrophobicContact CE1-SD 4.32Å; Y4-Q8 WeakPolarHBondContact O-CB 3.39Å; Y4-Q8 PolarHBondContact O-N 3.47Å; Y4-D46 HydrophobicContact CD1-CB 4.26Å; Y4-R49 PolarHBondContact OH-NE 3.1Å
5K95.6Very high93.1Very high103 Ų103100.1 Ų100.145%0.44848%0.478SS..Hα-helixtrans-69.2-43.7174.5-177.9161.6165.7-178.80110.4M1 G2 A3 M7 Q8 E9M1-K5 HydrophobicContact CG-CB 4.39Å; M1-K5 HydrophobicContact CG-CD 3.56Å; M1-K5 HydrophobicContact CG-CG 4.17Å; M1-K5 HydrophobicContact SD-CD 4.09Å; M1-K5 HydrophobicContact SD-CG 4.46Å; G2-K5 VanDerWaalsContact O-CB 3.32Å; G2-K5 WeakPolarHBondContact O-CB 3.45Å; G2-K5 PolarHBondContact O-N 3.24Å; A3-K5 PolarHBondContact O-N 3.41Å; K5-M7 PolarHBondContact O-N 2.96Å; K5-Q8 WeakPolarHBondContact O-CB 3.37Å; K5-Q8 PolarHBondContact O-N 3.3Å; K5-Q8 VanDerWaalsContact O-N 3.16Å; K5-E9 WeakPolarHBondContact O-CG 3.49Å; K5-E9 PolarHBondContact O-N 3.48Å
6F96.3Very high93.3Very high128 Ų12896.5 Ų96.556%0.56147%0.467SS*.Hα-helixtrans-61.5-44.6174.7-66.1-78.1000112.2M1 A3 Q8 E9 L10M1-F6 HydrophobicContact CB-CE2 4.37Å; M1-F6 HydrophobicContact SD-CE1 4.33Å; M1-F6 HydrophobicContact SD-CE2 4.5Å; M1-F6 HydrophobicContact SD-CZ 4.01Å; A3-F6 PolarHBondContact O-N 3.05Å; F6-Q8 VanDerWaalsContact C-N 3.27Å; F6-Q8 PolarHBondContact O-N 3.19Å; F6-E9 PolarHBondContact O-N 3.21Å; F6-L10 WeakPolarHBondContact O-CB 3.48Å; F6-L10 PolarHBondContact O-N 3.41Å
7M95.2Very high93.6Very high62 Ų6297.3 Ų97.331%0.30547%0.474SS..Hα-helixtrans-57.4-41.9174.2-65-173.471.100112A3 Y4 K5 Y11 P45 D46A3-M7 PolarHBondContact O-N 3.33Å; Y4-M7 HydrophobicContact CD1-SD 3.89Å; Y4-M7 HydrophobicContact CE1-SD 4.32Å; K5-M7 PolarHBondContact O-N 2.96Å; M7-Y11 WeakPolarHBondContact O-CD2 3.37Å; M7-Y11 PolarHBondContact O-N 3.29Å; M7-Y11 VanDerWaalsContact O-N 3.15Å; M7-P45 HydrophobicContact CE-CG 3.68Å; M7-P45 HydrophobicContact SD-CG 4.35Å; M7-D46 HydrophobicContact CB-CB 4.08Å; M7-D46 HydrophobicContact SD-CB 4.42Å
8Q95.8Very high93.8Very high38 Ų3896.7 Ų96.718%0.17848%0.477CS..Hα-helixtrans-64-46.7178174.5178.8-0.100111.9Y4 K5 F6 Y11 R12Y4-Q8 WeakPolarHBondContact O-CB 3.39Å; Y4-Q8 PolarHBondContact O-N 3.47Å; K5-Q8 WeakPolarHBondContact O-CB 3.37Å; K5-Q8 PolarHBondContact O-N 3.3Å; K5-Q8 VanDerWaalsContact O-N 3.16Å; F6-Q8 VanDerWaalsContact C-N 3.27Å; F6-Q8 PolarHBondContact O-N 3.19Å; Q8-Y11 PolarHBondContact O-N 2.95Å; Q8-R12 WeakPolarHBondContact O-CG 3.29Å; Q8-R12 PolarHBondContact O-N 2.89Å; Q8-R12 VanDerWaalsContact O-N 3.08Å
9E96Very high93.9Very high73 Ų7391.7 Ų91.734%0.34145%0.452SS..Hα-helixtrans-64.2-40.9179.8-64.8-44.6134.600111.6K5 F6 Y11 R12 R13K5-E9 WeakPolarHBondContact O-CG 3.49Å; K5-E9 PolarHBondContact O-N 3.48Å; F6-E9 PolarHBondContact O-N 3.21Å; E9-Y11 VanDerWaalsContact C-N 3.32Å; E9-Y11 PolarHBondContact O-N 3.32Å; E9-R12 VanDerWaalsContact CD-NH1 3.26Å; E9-R12 WeakPolarHBondContact O-CB 3.36Å; E9-R12 PolarHBondContact O-N 3.26Å; E9-R12 IonicContact OE1-CZ 3.32Å; E9-R12 IonicContact OE1-NH1 2.69Å; E9-R12 PolarHBondContact OE1-NH1 2.87Å; E9-R12 WeakPolarHBondContact OE2-CD 3.34Å; E9-R12 IonicContact OE2-CZ 2.67Å; E9-R12 IonicContact OE2-NE 3.1Å; E9-R12 IonicContact OE2-NH1 3.95Å; E9-R12 PolarHBondContact OE2-NH1 3.39Å; E9-R13 PolarHBondContact O-N 3.37Å
10L95.6Very high94.1Very high83 Ų8393.2 Ų93.244%0.43545%0.453SS..Hα-helixtrans-57.2-46.2174.7-170.271.3000111.4F6 R12 R13 M19F6-L10 WeakPolarHBondContact O-CB 3.48Å; F6-L10 PolarHBondContact O-N 3.41Å; L10-R12 VanDerWaalsContact C-N 3.27Å; L10-R12 PolarHBondContact O-N 2.98Å; L10-R13 PolarHBondContact O-N 2.56Å; L10-M19 HydrophobicContact CD2-SD 4.14Å; L10-M19 HydrophobicContact CG-CG 4.31Å; L10-M19 HydrophobicContact CG-SD 3.87Å
11Y95.5Very high94.2Very high19 Ų1996.3 Ų96.38%0.07546%0.461CS..Hα-helixtrans-72.7-12.1177.3-92.1-82.7000114.8M7 Q8 E9 K14 M19 R26 R44M7-Y11 WeakPolarHBondContact O-CD2 3.37Å; M7-Y11 PolarHBondContact O-N 3.29Å; M7-Y11 VanDerWaalsContact O-N 3.15Å; Q8-Y11 PolarHBondContact O-N 2.95Å; E9-Y11 VanDerWaalsContact C-N 3.32Å; E9-Y11 PolarHBondContact O-N 3.32Å; Y11-K14 WeakPolarHBondContact O-CE 3.38Å; Y11-K14 WeakPolarHBondContact O-CG 3.19Å; Y11-K14 PolarHBondContact O-NZ 3.31Å; Y11-M19 HydrophobicContact CD1-CE 3.63Å; Y11-M19 HydrophobicContact CE1-CE 3.55Å; Y11-M19 HydrophobicContact CG-CE 4.18Å; Y11-R26 PolarHBondContact OH-NH1 2.85Å; Y11-R44 VanDerWaalsContact CB-NH2 3.26Å; Y11-R44 HydrophobicContact CE1-CG 3.88Å; Y11-R44 HydrophobicContact CE2-CG 4.05Å; Y11-R44 WeakPolarHBondContact OH-CG 3.5Å
12R95.8Very high95.9Very high147 Ų14791 Ų9156%0.55544%0.435SS*.Hα-helixtrans-73.7-37170.2-78169.8163.8179.7-2.5110.3Q8 E9 L10 K14Q8-R12 WeakPolarHBondContact O-CG 3.29Å; Q8-R12 PolarHBondContact O-N 2.89Å; Q8-R12 VanDerWaalsContact O-N 3.08Å; E9-R12 VanDerWaalsContact CD-NH1 3.26Å; E9-R12 WeakPolarHBondContact O-CB 3.36Å; E9-R12 PolarHBondContact O-N 3.26Å; E9-R12 IonicContact OE1-CZ 3.32Å; E9-R12 IonicContact OE1-NH1 2.69Å; E9-R12 PolarHBondContact OE1-NH1 2.87Å; E9-R12 WeakPolarHBondContact OE2-CD 3.34Å; E9-R12 IonicContact OE2-CZ 2.67Å; E9-R12 IonicContact OE2-NE 3.1Å; E9-R12 IonicContact OE2-NH1 3.95Å; E9-R12 PolarHBondContact OE2-NH1 3.39Å; L10-R12 VanDerWaalsContact C-N 3.27Å; L10-R12 PolarHBondContact O-N 2.98Å; R12-K14 VanDerWaalsContact C-N 3.34Å; R12-K14 PolarHBondContact O-N 2.93Å; R12-K14 VanDerWaalsContact O-N 3.14Å
13R96.8Very high96.1Very high191 Ų19190.4 Ų90.472%0.72142%0.419SS*.  trans-87.459.9178.5-56.3-61.5-179.3-178.50.6112.5E9 L10 Q15 S16E9-R13 PolarHBondContact O-N 3.37Å; L10-R13 PolarHBondContact O-N 2.56Å; R13-Q15 PolarHBondContact O-N 3.14Å; R13-S16 PolarHBondContact O-N 2.87Å; R13-S16 PolarHBondContact O-OG 2.92Å
14K95.7Very high96.3Very high79 Ų7995.6 Ų95.634%0.34342%0.422SS..THydrogen-bonded Turntrans-65.2-21.1-174.7-65.8-175.9-171.558.30115.3Y11 R12 W120Y11-K14 WeakPolarHBondContact O-CE 3.38Å; Y11-K14 WeakPolarHBondContact O-CG 3.19Å; Y11-K14 PolarHBondContact O-NZ 3.31Å; R12-K14 VanDerWaalsContact C-N 3.34Å; R12-K14 PolarHBondContact O-N 2.93Å; R12-K14 VanDerWaalsContact O-N 3.14Å; K14-W120 HydrophobicContact CD-CH2 4.31Å; K14-W120 HydrophobicContact CD-CZ3 4.1Å
15Q96.7Very high96.4Very high176 Ų17695 Ų9582%0.82242%0.424SS*.THydrogen-bonded Turntrans-88.3-3.2-179.9-74.4-175.2-35.500113.4R13 R20R13-Q15 PolarHBondContact O-N 3.14Å; Q15-R20 WeakPolarHBondContact O-CD 3.47Å
16S97.4Very high96.4Very high43 Ų4393.2 Ų93.230%0.30142%0.415SS..SBendtrans-64.2153.9172.867.70000111.4R13 V18 M19 R20R13-S16 PolarHBondContact O-N 2.87Å; R13-S16 PolarHBondContact O-OG 2.92Å; S16-V18 VanDerWaalsContact C-N 3.32Å; S16-V18 PolarHBondContact O-N 2.81Å; S16-M19 PolarHBondContact O-N 2.96Å; S16-M19 VanDerWaalsContact O-N 3.1Å; S16-M19 WeakPolarHBondContact OG-CB 3.47Å; S16-M19 PolarHBondContact OG-N 3.13Å; S16-R20 WeakPolarHBondContact O-CG 3.3Å; S16-R20 PolarHBondContact O-N 2.8Å
17D97.8Very high96.4Very high110 Ų11087.7 Ų87.759%0.58839%0.392SS*.Hα-helixtrans-55.8-46-177.7-62.9-41.2000112.7M19 R20 Y21D17-M19 PolarHBondContact O-N 3.5Å; D17-R20 PolarHBondContact O-N 2.85Å; D17-R20 IonicContact OD1-CZ 3.38Å; D17-R20 IonicContact OD1-NE 3.56Å; D17-R20 IonicContact OD1-NH2 2.62Å; D17-R20 PolarHBondContact OD1-NH2 3.21Å; D17-Y21 WeakPolarHBondContact O-CB 3.45Å; D17-Y21 PolarHBondContact O-N 2.82Å
18V97Very high96.5Very high86 Ų8692.3 Ų92.352%0.52141%0.406SS..Hα-helixtrans-55.8-49.8175.7178.90000111.3S16 Y21 I22S16-V18 VanDerWaalsContact C-N 3.32Å; S16-V18 PolarHBondContact O-N 2.81Å; V18-Y21 PolarHBondContact O-N 3.07Å; V18-I22 HydrophobicContact CG1-CD1 3.89Å; V18-I22 VanDerWaalsContact O-CG1 3.32Å; V18-I22 WeakPolarHBondContact O-CG1 3.47Å; V18-I22 PolarHBondContact O-N 3.08Å; V18-I22 VanDerWaalsContact O-N 3.07Å
19M96.3Very high96.6Very high2 Ų295.1 Ų95.11%0.0142%0.419CS..Hα-helixtrans-71.9-33.6-177.2-76.4-55.8-52.200112.8L10 Y11 S16 D17 Q23L10-M19 HydrophobicContact CD2-SD 4.14Å; L10-M19 HydrophobicContact CG-CG 4.31Å; L10-M19 HydrophobicContact CG-SD 3.87Å; Y11-M19 HydrophobicContact CD1-CE 3.63Å; Y11-M19 HydrophobicContact CE1-CE 3.55Å; Y11-M19 HydrophobicContact CG-CE 4.18Å; S16-M19 PolarHBondContact O-N 2.96Å; S16-M19 VanDerWaalsContact O-N 3.1Å; S16-M19 WeakPolarHBondContact OG-CB 3.47Å; S16-M19 PolarHBondContact OG-N 3.13Å; D17-M19 PolarHBondContact O-N 3.5Å; M19-Q23 HydrophobicContact CE-CG 4.47Å; M19-Q23 VanDerWaalsContact O-CB 3.28Å; M19-Q23 WeakPolarHBondContact O-CB 3.22Å; M19-Q23 WeakPolarHBondContact O-CG 3.32Å; M19-Q23 PolarHBondContact O-N 3.38Å; M19-Q23 PolarHBondContact O-NE2 2.87Å
20R96.8Very high96.7Very high121 Ų12191.9 Ų91.946%0.45740%0.404SS..Hα-helixtrans-65.5-45.5174.1-69.7-172-48.81719.3110.9Q15 S16 D17 Q23 R24Q15-R20 WeakPolarHBondContact O-CD 3.47Å; S16-R20 WeakPolarHBondContact O-CG 3.3Å; S16-R20 PolarHBondContact O-N 2.8Å; D17-R20 PolarHBondContact O-N 2.85Å; D17-R20 IonicContact OD1-CZ 3.38Å; D17-R20 IonicContact OD1-NE 3.56Å; D17-R20 IonicContact OD1-NH2 2.62Å; D17-R20 PolarHBondContact OD1-NH2 3.21Å; R20-Q23 PolarHBondContact O-N 2.91Å; R20-R24 WeakPolarHBondContact O-CB 3.49Å; R20-R24 WeakPolarHBondContact O-CG 3.44Å; R20-R24 PolarHBondContact O-N 2.74Å
21Y97.4Very high96.7Very high159 Ų15993.3 Ų93.362%0.62440%0.404SS*.Hα-helixtrans-58.5-53.4177.4177.3-98.4000111.3D17 V18 Q23 R24 M25D17-Y21 WeakPolarHBondContact O-CB 3.45Å; D17-Y21 PolarHBondContact O-N 2.82Å; V18-Y21 PolarHBondContact O-N 3.07Å; Y21-Q23 VanDerWaalsContact C-N 3.33Å; Y21-Q23 PolarHBondContact O-N 3.05Å; Y21-R24 PolarHBondContact O-N 3.25Å; Y21-M25 HydrophobicContact CE1-CG 4.29Å; Y21-M25 HydrophobicContact CE2-CG 4.37Å; Y21-M25 PolarHBondContact O-N 3.17Å; Y21-M25 VanDerWaalsContact O-N 3.08Å
22I96.6Very high96.7Very high55 Ų5598.8 Ų98.828%0.28243%0.43SS..Hα-helixtrans-59.7-42.6179.1-66.7168.6000111.5V18 R26V18-I22 HydrophobicContact CG1-CD1 3.89Å; V18-I22 VanDerWaalsContact O-CG1 3.32Å; V18-I22 WeakPolarHBondContact O-CG1 3.47Å; V18-I22 PolarHBondContact O-N 3.08Å; V18-I22 VanDerWaalsContact O-N 3.07Å; I22-R26 WeakPolarHBondContact O-CB 3.25Å; I22-R26 WeakPolarHBondContact O-CG 3.42Å; I22-R26 PolarHBondContact O-N 3.28Å
23Q95.8Very high96.7Very high36 Ų3693.6 Ų93.617%0.16842%0.416CS..Hα-helixtrans-67.6-38.7179.7-77.8173.252.300112.5M19 R20 Y21 C27M19-Q23 HydrophobicContact CE-CG 4.47Å; M19-Q23 VanDerWaalsContact O-CB 3.28Å; M19-Q23 WeakPolarHBondContact O-CB 3.22Å; M19-Q23 WeakPolarHBondContact O-CG 3.32Å; M19-Q23 PolarHBondContact O-N 3.38Å; M19-Q23 PolarHBondContact O-NE2 2.87Å; R20-Q23 PolarHBondContact O-N 2.91Å; Y21-Q23 VanDerWaalsContact C-N 3.33Å; Y21-Q23 PolarHBondContact O-N 3.05Å; Q23-C27 VanDerWaalsContact O-CB 3.25Å; Q23-C27 WeakPolarHBondContact O-CB 3.33Å; Q23-C27 PolarHBondContact O-N 3.12Å; Q23-C27 PolarHBondContact O-SG 2.92Å; Q23-C27 VanDerWaalsContact O-SG 3.37Å
24R96.8Very high96.7Very high187 Ų18792 Ų9271%0.70642%0.416SS*.Hα-helixtrans-62.6-49.7176.4-78.8179.4176.8-178.2-1111.2R20 Y21 R26 C27 W28R20-R24 WeakPolarHBondContact O-CB 3.49Å; R20-R24 WeakPolarHBondContact O-CG 3.44Å; R20-R24 PolarHBondContact O-N 2.74Å; Y21-R24 PolarHBondContact O-N 3.25Å; R24-R26 PolarHBondContact O-N 3.41Å; R24-C27 PolarHBondContact O-N 3.19Å; R24-W28 PolarHBondContact O-N 3.4Å
25M96.9Very high96.8Very high96 Ų9690.2 Ų90.247%0.47342%0.417SS..Hα-helixtrans-58.2-47177.6-71.3-59.1-65.900111.8Y21 W28 E29Y21-M25 HydrophobicContact CE1-CG 4.29Å; Y21-M25 HydrophobicContact CE2-CG 4.37Å; Y21-M25 PolarHBondContact O-N 3.17Å; Y21-M25 VanDerWaalsContact O-N 3.08Å; M25-W28 PolarHBondContact O-N 3.32Å; M25-E29 PolarHBondContact O-N 3.49Å; M25-E29 VanDerWaalsContact O-N 3.09Å
26R96.6Very high96.8Very high66 Ų6683.3 Ų83.325%0.24939%0.385CS..Hα-helixtrans-64.3-45.3176.9-76.4177.8177.9-172.92.2112.9Y11 I22 R24 W28 E29 Y30Y11-R26 PolarHBondContact OH-NH1 2.85Å; I22-R26 WeakPolarHBondContact O-CB 3.25Å; I22-R26 WeakPolarHBondContact O-CG 3.42Å; I22-R26 PolarHBondContact O-N 3.28Å; R24-R26 PolarHBondContact O-N 3.41Å; R26-W28 PolarHBondContact O-N 3.05Å; R26-E29 PolarHBondContact O-N 2.81Å; R26-Y30 HydrophobicContact CB-CE1 4.05Å; R26-Y30 HydrophobicContact CB-CE2 3.98Å; R26-Y30 WeakPolarHBondContact CD-OH 3.39Å; R26-Y30 HydrophobicContact CG-CE1 4.35Å; R26-Y30 WeakPolarHBondContact O-CB 3.5Å; R26-Y30 WeakPolarHBondContact O-CD1 3.42Å; R26-Y30 WeakPolarHBondContact O-CD2 3.42Å; R26-Y30 PolarHBondContact O-N 3.2Å
27C96.7Very high96.9Very high12 Ų1283.2 Ų83.28%0.08138%0.382CS..Hα-helixtrans-61.3-36.6178.8-810000111.6Q23 R24 R31 E123Q23-C27 VanDerWaalsContact O-CB 3.25Å; Q23-C27 WeakPolarHBondContact O-CB 3.33Å; Q23-C27 PolarHBondContact O-N 3.12Å; Q23-C27 PolarHBondContact O-SG 2.92Å; Q23-C27 VanDerWaalsContact O-SG 3.37Å; R24-C27 PolarHBondContact O-N 3.19Å; C27-R31 WeakPolarHBondContact O-CB 3.32Å; C27-R31 PolarHBondContact O-N 3.34Å; C27-R31 VanDerWaalsContact O-N 3.1Å; C27-E123 PolarHBondContact SG-O 2.92Å; C27-E123 VanDerWaalsContact SG-O 3.4Å
28W97.5Very high96.9Very high160 Ų16086.4 Ų86.461%0.60639%0.386SS*.Hα-helixtrans-62-53.3172.5170.784.5000111.5R24 M25 R26 Y30 R31 Q32R24-W28 PolarHBondContact O-N 3.4Å; M25-W28 PolarHBondContact O-N 3.32Å; R26-W28 PolarHBondContact O-N 3.05Å; W28-Y30 VanDerWaalsContact C-N 3.29Å; W28-Y30 PolarHBondContact O-N 3.47Å; W28-R31 WeakPolarHBondContact O-CB 3.37Å; W28-R31 PolarHBondContact O-N 2.9Å; W28-R31 VanDerWaalsContact O-N 3.08Å; W28-Q32 PolarHBondContact O-N 3.15Å
29E97.2Very high96.8Very high96 Ų9683.4 Ų83.445%0.44937%0.368SS..Hα-helixtrans-55.5-44.9177.8-174.1-158.4155.500111.5M25 R26 R31 Q32 S33M25-E29 PolarHBondContact O-N 3.49Å; M25-E29 VanDerWaalsContact O-N 3.09Å; R26-E29 PolarHBondContact O-N 2.81Å; E29-R31 PolarHBondContact O-N 3.45Å; E29-Q32 PolarHBondContact O-N 3.26Å; E29-S33 PolarHBondContact O-N 3.04Å; E29-S33 PolarHBondContact O-OG 3.04Å
30Y97.4Very high96.8Very high6 Ų689.8 Ų89.82%0.02441%0.407CS..Hα-helixtrans-69-25.1-177.3-59.9-4.1000112.3R26 W28 S43 V121 F129R26-Y30 HydrophobicContact CB-CE1 4.05Å; R26-Y30 HydrophobicContact CB-CE2 3.98Å; R26-Y30 WeakPolarHBondContact CD-OH 3.39Å; R26-Y30 HydrophobicContact CG-CE1 4.35Å; R26-Y30 WeakPolarHBondContact O-CB 3.5Å; R26-Y30 WeakPolarHBondContact O-CD1 3.42Å; R26-Y30 WeakPolarHBondContact O-CD2 3.42Å; R26-Y30 PolarHBondContact O-N 3.2Å; W28-Y30 VanDerWaalsContact C-N 3.29Å; W28-Y30 PolarHBondContact O-N 3.47Å; Y30-S43 PolarHBondContact OH-OG 3.03Å; Y30-V121 HydrophobicContact CD2-CG2 4.41Å; Y30-V121 HydrophobicContact CE2-CB 4.37Å; Y30-V121 HydrophobicContact CE2-CG2 3.86Å; Y30-F129 HydrophobicContact CD2-CB 4.09Å; Y30-F129 HydrophobicContact CD2-CD1 4.17Å; Y30-F129 HydrophobicContact CD2-CD2 4.35Å; Y30-F129 AromaticContact CD2-CG 3.96Å; Y30-F129 HydrophobicContact CD2-CG 3.96Å; Y30-F129 HydrophobicContact CG-CD1 4.39Å
31R95.9Very high96.8Very high113 Ų11392.9 Ų92.943%0.42642%0.419SS..Hα-helixtrans-72.5-36.6176.4-170.5-178.1-69.9177.7-0.4111.5C27 W28 E29 S33 R65 D124C27-R31 WeakPolarHBondContact O-CB 3.32Å; C27-R31 PolarHBondContact O-N 3.34Å; C27-R31 VanDerWaalsContact O-N 3.1Å; W28-R31 WeakPolarHBondContact O-CB 3.37Å; W28-R31 PolarHBondContact O-N 2.9Å; W28-R31 VanDerWaalsContact O-N 3.08Å; E29-R31 PolarHBondContact O-N 3.45Å; R31-S33 VanDerWaalsContact C-N 3.31Å; R31-R65 PolarHBondContact O-NH1 2.84Å; R31-D124 IonicContact CZ-OD2 3.97Å; R31-D124 IonicContact NE-OD2 2.66Å; R31-D124 PolarHBondContact NE-OD2 2.69Å; R31-D124 VanDerWaalsContact NE-OD2 3.12Å; R31-D124 IonicContact NH2-OD2 3.74Å; R31-D124 PolarHBondContact NH2-OD2 2.73Å
32Q96.6Very high96.8Very high134 Ų13485.9 Ų85.963%0.62639%0.393SS*.Hα-helixtrans-71.7-27.8177.6-52.7-50.6-26.900112.2W28 E29W28-Q32 PolarHBondContact O-N 3.15Å; E29-Q32 PolarHBondContact O-N 3.26Å
33S94.8Very high96.8Very high37 Ų3784.2 Ų84.226%0.25939%0.387SS..SBendtrans-70158.2176.9-63.90000113.6E29 R31 R65E29-S33 PolarHBondContact O-N 3.04Å; E29-S33 PolarHBondContact O-OG 3.04Å; R31-S33 VanDerWaalsContact C-N 3.31Å; S33-R65 PolarHBondContact O-NH1 2.91Å
34H97Very high96.8Very high157 Ų15783.6 Ų83.673%0.72738%0.383SS*.  trans-57.8158.4170.5-65.3-60.9000112.7I36H34-I36 PolarHBondContact O-N 3.26Å; H34-I36 VanDerWaalsContact O-N 3.17Å
35A97.4Very high96.8Very high43 Ų4376.6 Ų76.636%0.35536%0.361SS..SBendtrans-60.6-31.1-17500000114.4I64 R65A35-I64 VanDerWaalsContact O-CA 3.28Å; A35-I64 WeakPolarHBondContact O-CA 3.39Å; A35-R65 HydrophobicContact CB-CG 4.12Å; A35-R65 PolarHBondContact O-N 3.23Å
36I98Very high96.8Very high30 Ų3072.4 Ų72.415%0.15434%0.341CS..EExtended strand (participates in β ladder)trans-131.8111.2173.8-55.4173.5000108.4H34 Y62 R63 I64 R105 V106 K109H34-I36 PolarHBondContact O-N 3.26Å; H34-I36 VanDerWaalsContact O-N 3.17Å; I36-Y62 HydrophobicContact CG2-CD1 3.84Å; I36-R63 WeakPolarHBondContact CA-O 3.36Å; I36-I64 HydrophobicContact CD1-CD1 3.9Å; I36-I64 HydrophobicContact CG1-CB 4.33Å; I36-I64 HydrophobicContact CG1-CD1 3.71Å; I36-I64 HydrophobicContact CG1-CG1 3.85Å; I36-R105 HydrophobicContact CD1-CB 4.4Å; I36-V106 HydrophobicContact CG2-CG2 4.32Å; I36-K109 HydrophobicContact CB-CD 3.98Å; I36-K109 HydrophobicContact CD1-CB 4.27Å; I36-K109 HydrophobicContact CD1-CD 3.82Å; I36-K109 HydrophobicContact CG1-CD 4.49Å; I36-K109 HydrophobicContact CG2-CD 3.85Å; I36-K109 PolarHBondContact O-NZ 2.88Å
37V97.7Very high96.8Very high41 Ų4173.6 Ų73.625%0.24835%0.345CS..EExtended strand (participates in β ladder)trans-122.6142.2-177.9112.40000110.3V39 Y62 R63V37-V39 HydrophobicContact CG1-CG2 4.41Å; V37-Y62 CarbonylContact O-C 3.55Å; V37-Y62 WeakPolarHBondContact O-CA 3.23Å; V37-R63 HydrophobicContact CG1-CB 4.33Å; V37-R63 PolarHBondContact N-O 2.54Å; V37-R63 PolarHBondContact O-N 2.93Å
38R97.6Very high96.9Very high177 Ų17773 Ų7367%0.66834%0.342SS*.EExtended strand (participates in β ladder)trans-80.8134171.6-178.5179.6173.4-173.6-1.2108.6V60 Y62R38-V60 HydrophobicContact CG-CG1 4.17Å; R38-Y62 HydrophobicContact CB-CD1 4.22Å; R38-Y62 HydrophobicContact CB-CE1 3.82Å; R38-Y62 HydrophobicContact CG-CE1 4.47Å
39V96.7Very high96.9Very high23 Ų2370.3 Ų70.314%0.13933%0.331CS..EExtended strand (participates in β ladder)trans-112.8141.5177-1490000109.1V37 R41 I61 R63V37-V39 HydrophobicContact CG1-CG2 4.41Å; V39-R41 WeakPolarHBondContact CG1-O 3.46Å; V39-I61 HydrophobicContact CB-CG2 4.44Å; V39-I61 HydrophobicContact CG2-CG2 4.29Å; V39-I61 PolarHBondContact N-O 3.01Å; V39-R63 HydrophobicContact CG2-CB 3.63Å
40T96.2Very high96.8Very high136 Ų13672.2 Ų72.283%0.83433%0.334SS*.SBendtrans-71-33.9-179.451.80000112.8
41R96Very high96.8Very high186 Ų18673.1 Ų73.170%0.70234%0.339SS*.SBendtrans-141.3153.5-178.256.9-178158.9104.1-1.8111.6V39 S43V39-R41 WeakPolarHBondContact CG1-O 3.46Å; R41-S43 PolarHBondContact O-N 3Å
42P97.7Very high96.9Very high13 Ų1369.1 Ų69.18%0.08433%0.333CS..  trans-63.7134.5175.222-29.7000110.3R44 P45 A48 Y53 I61 Y119P42-R44 PolarHBondContact O-N 3.01Å; P42-P45 HydrophobicContact CG-CB 4.1Å; P42-A48 HydrophobicContact CB-CB 3.73Å; P42-A48 HydrophobicContact CG-CB 4.2Å; P42-Y53 HydrophobicContact CG-CD1 4.27Å; P42-Y53 HydrophobicContact CG-CE1 3.83Å; P42-I61 VanDerWaalsContact CA-CD1 3.47Å; P42-I61 HydrophobicContact CB-CD1 3.4Å; P42-I61 VanDerWaalsContact CD-CD1 3.5Å; P42-I61 HydrophobicContact CG-CD1 3.85Å; P42-Y119 VanDerWaalsContact CB-OH 3.28Å; P42-Y119 WeakPolarHBondContact CB-OH 3.49Å
43S96.2Very high97Very high20 Ų2064 Ų6414%0.1431%0.308CS..SBendtrans-64.8-20.6171.2-59.60000112.2Y30 R41 R63 E131Y30-S43 PolarHBondContact OH-OG 3.03Å; R41-S43 PolarHBondContact O-N 3Å; S43-R63 PolarHBondContact OG-NH2 3.42Å; S43-R63 VanDerWaalsContact OG-NH2 3.1Å; S43-E131 VanDerWaalsContact CB-OE1 3.3Å; S43-E131 WeakPolarHBondContact CB-OE1 3.2Å; S43-E131 PolarHBondContact N-OE2 3.12Å; S43-E131 PolarHBondContact OG-OE1 3.35Å
44R96Very high97.1Very high23 Ų2366.6 Ų66.69%0.08732%0.315CS..  trans-132.782.8177.8-67.4-165.462.9-177.7-3.2111.2Y11 P42 D46 R47 A48 Y119Y11-R44 VanDerWaalsContact CB-NH2 3.26Å; Y11-R44 HydrophobicContact CE1-CG 3.88Å; Y11-R44 HydrophobicContact CE2-CG 4.05Å; Y11-R44 WeakPolarHBondContact OH-CG 3.5Å; P42-R44 PolarHBondContact O-N 3.01Å; R44-D46 VanDerWaalsContact C-N 3.28Å; R44-D46 IonicContact CZ-OD2 2.72Å; R44-D46 IonicContact NE-OD1 2.72Å; R44-D46 IonicContact NE-OD2 2.97Å; R44-D46 IonicContact NH2-OD2 3.12Å; R44-D46 PolarHBondContact NH2-OD2 3.33Å; R44-D46 PolarHBondContact O-N 3.4Å; R44-R47 HydrophobicContact CB-CB 3.84Å; R44-R47 PolarHBondContact O-N 3.19Å; R44-A48 VanDerWaalsContact O-CB 3.31Å; R44-A48 WeakPolarHBondContact O-CB 3.41Å; R44-A48 PolarHBondContact O-N 3.1Å; R44-Y119 HydrophobicContact CB-CE2 4.01Å
45P96.7Very high97.1Very high39 Ų3962.5 Ų62.525%0.25331%0.308SS..Hα-helixtrans-63.1-33.6-178.424.3-33000112.8M7 P42 R49M7-P45 HydrophobicContact CE-CG 3.68Å; M7-P45 HydrophobicContact SD-CG 4.35Å; P42-P45 HydrophobicContact CG-CB 4.1Å; P45-R49 WeakPolarHBondContact O-CB 3.38Å; P45-R49 VanDerWaalsContact O-CG 3.32Å; P45-R49 WeakPolarHBondContact O-CG 3.37Å; P45-R49 PolarHBondContact O-N 3.21Å
46D96.8Very high97Very high8 Ų863.2 Ų63.24%0.04330%0.303CS..Hα-helixtrans-57.4-50173.866.2-53.9000111.5Y4 M7 R44 R50Y4-D46 HydrophobicContact CD1-CB 4.26Å; M7-D46 HydrophobicContact CB-CB 4.08Å; M7-D46 HydrophobicContact SD-CB 4.42Å; R44-D46 VanDerWaalsContact C-N 3.28Å; R44-D46 IonicContact CZ-OD2 2.72Å; R44-D46 IonicContact NE-OD1 2.72Å; R44-D46 IonicContact NE-OD2 2.97Å; R44-D46 IonicContact NH2-OD2 3.12Å; R44-D46 PolarHBondContact NH2-OD2 3.33Å; R44-D46 PolarHBondContact O-N 3.4Å; D46-R50 PolarHBondContact O-N 3.17Å
47R97.4Very high97Very high92 Ų9268.5 Ų68.535%0.34733%0.327SS..Hα-helixtrans-73.9-41.9-176.5-176.959.1179.4-172.54111.3R44 R50 L51 Y119R44-R47 HydrophobicContact CB-CB 3.84Å; R44-R47 PolarHBondContact O-N 3.19Å; R47-R50 PolarHBondContact O-N 2.84Å; R47-L51 HydrophobicContact CG-CD1 4.24Å; R47-L51 WeakPolarHBondContact O-CG 3.42Å; R47-L51 PolarHBondContact O-N 3.19Å; R47-Y119 HydrophobicContact CG-CD1 4.46Å; R47-Y119 HydrophobicContact CG-CD2 4.17Å; R47-Y119 HydrophobicContact CG-CG 3.91Å
48A97.9Very high97Very high0 Ų067.1 Ų67.10%032%0.321CS..Hα-helixtrans-59.6-48178.100000110.6P42 R44 R50 L51 G52 Y53 Y119 I133P42-A48 HydrophobicContact CB-CB 3.73Å; P42-A48 HydrophobicContact CG-CB 4.2Å; R44-A48 VanDerWaalsContact O-CB 3.31Å; R44-A48 WeakPolarHBondContact O-CB 3.41Å; R44-A48 PolarHBondContact O-N 3.1Å; A48-R50 VanDerWaalsContact C-N 3.34Å; A48-R50 PolarHBondContact O-N 2.93Å; A48-L51 CarbonylContact O-C 3.57Å; A48-L51 WeakPolarHBondContact O-CA 3.43Å; A48-L51 PolarHBondContact O-N 2.81Å; A48-G52 PolarHBondContact O-N 3.24Å; A48-Y53 VanDerWaalsContact C-CB 3.46Å; A48-Y53 HydrophobicContact CB-CD1 4.05Å; A48-Y53 HydrophobicContact CB-CG 4.02Å; A48-Y53 VanDerWaalsContact O-CB 3.23Å; A48-Y53 WeakPolarHBondContact O-CB 3.28Å; A48-Y53 PolarHBondContact O-N 3.47Å; A48-Y119 HydrophobicContact CB-CE1 3.76Å; A48-I133 HydrophobicContact CB-CD1 4.48Å
49R97Very high97Very high103 Ų10359.8 Ų59.839%0.38929%0.294SS..Hα-helixtrans-60.1-41.5179.4-77.6-179.5176.2-107.22.4112.5Y4 P45 L51 G52 Y53Y4-R49 PolarHBondContact OH-NE 3.1Å; P45-R49 WeakPolarHBondContact O-CB 3.38Å; P45-R49 VanDerWaalsContact O-CG 3.32Å; P45-R49 WeakPolarHBondContact O-CG 3.37Å; P45-R49 PolarHBondContact O-N 3.21Å; R49-L51 PolarHBondContact O-N 3.01Å; R49-G52 PolarHBondContact O-N 2.87Å; R49-Y53 WeakPolarHBondContact CA-O 3.41Å; R49-Y53 HydrophobicContact CG-CD1 4.35Å
50R96.4Very high97Very high135 Ų13559.8 Ų59.851%0.50929%0.294SS..Hα-helixtrans-61.1-29.7175-170.9175.6-56.5171.47.3113.3D46 R47 A48 G52D46-R50 PolarHBondContact O-N 3.17Å; R47-R50 PolarHBondContact O-N 2.84Å; A48-R50 VanDerWaalsContact C-N 3.34Å; A48-R50 PolarHBondContact O-N 2.93Å; R50-G52 VanDerWaalsContact C-N 3.3Å
51L97.5Very high97.1Very high26 Ų2653.5 Ų53.514%0.13626%0.255CS..THydrogen-bonded Turntrans-89.64.9178.4-67.8172.3000113.5R47 A48 R49 N117 S118 Y119 I133R47-L51 HydrophobicContact CG-CD1 4.24Å; R47-L51 WeakPolarHBondContact O-CG 3.42Å; R47-L51 PolarHBondContact O-N 3.19Å; A48-L51 CarbonylContact O-C 3.57Å; A48-L51 WeakPolarHBondContact O-CA 3.43Å; A48-L51 PolarHBondContact O-N 2.81Å; R49-L51 PolarHBondContact O-N 3.01Å; L51-N117 HydrophobicContact CB-CB 4.04Å; L51-N117 PolarHBondContact O-ND2 2.89Å; L51-S118 WeakPolarHBondContact CD1-O 3.31Å; L51-Y119 HydrophobicContact CD1-CD1 3.73Å; L51-Y119 HydrophobicContact CD1-CG 4.11Å; L51-I133 HydrophobicContact CB-CD1 3.92Å
52G97.1Very high97.2Very high28 Ų2846.5 Ų46.529%0.28923%0.229SC..THydrogen-bonded Turntrans102.64.9173.500000115.2A48 R49 R50 Y59A48-G52 PolarHBondContact O-N 3.24Å; R49-G52 PolarHBondContact O-N 2.87Å; R50-G52 VanDerWaalsContact C-N 3.3Å; G52-Y59 VanDerWaalsContact O-CE1 3.23Å; G52-Y59 WeakPolarHBondContact O-CE1 3.5Å; G52-Y59 PolarHBondContact O-OH 2.78Å
53Y98Very high97.3Very high27 Ų2747 Ų4711%0.10623%0.229CC..  trans-64.2139.1171.3174.1-98.6000111.2P42 A48 R49 A55 Y59 I61 I133P42-Y53 HydrophobicContact CG-CD1 4.27Å; P42-Y53 HydrophobicContact CG-CE1 3.83Å; A48-Y53 VanDerWaalsContact C-CB 3.46Å; A48-Y53 HydrophobicContact CB-CD1 4.05Å; A48-Y53 HydrophobicContact CB-CG 4.02Å; A48-Y53 VanDerWaalsContact O-CB 3.23Å; A48-Y53 WeakPolarHBondContact O-CB 3.28Å; A48-Y53 PolarHBondContact O-N 3.47Å; R49-Y53 WeakPolarHBondContact CA-O 3.41Å; R49-Y53 HydrophobicContact CG-CD1 4.35Å; Y53-A55 HydrophobicContact CE1-CB 4.29Å; Y53-Y59 AromaticContact CD2-CD1 3.8Å; Y53-Y59 HydrophobicContact CD2-CD1 3.8Å; Y53-Y59 HydrophobicContact CD2-CG 4.29Å; Y53-Y59 HydrophobicContact CE2-CD1 4.44Å; Y53-Y59 HydrophobicContact CE2-CG 4.5Å; Y53-Y59 HydrophobicContact CG-CD1 4.48Å; Y53-I61 HydrophobicContact CD2-CD1 4.03Å; Y53-I61 HydrophobicContact CD2-CG1 4.31Å; Y53-I61 HydrophobicContact CE2-CD1 3.82Å; Y53-I61 HydrophobicContact CE2-CG1 4.14Å; Y53-I133 HydrophobicContact CD2-CG2 4.31Å
54K97.5Very high97.4Very high91 Ų9146.1 Ų46.140%0.39622%0.223SC..  trans-129.2142.8168.7-62.9-68.6-175.4167.60108.3K56 Y59K54-K56 HydrophobicContact CB-CD 4.5Å; K54-K56 HydrophobicContact CB-CG 4.16Å; K54-K56 PolarHBondContact O-N 3.33Å; K54-Y59 HydrophobicContact CB-CE2 4.21Å; K54-Y59 WeakPolarHBondContact O-CB 3.23Å
55A96.6Very high97.5Very high71 Ų7148.4 Ų48.459%0.58723%0.231SC*.SBendtrans-79.375.4176.100000109.6Y53Y53-A55 HydrophobicContact CE1-CB 4.29Å
56K96.1Very high97.5Very high59 Ų5946.9 Ų46.926%0.25722%0.221SC..SBendtrans-145.2160.5175.866.2173.5-173.2160.90110.3K54 Y59 A141 D145K54-K56 HydrophobicContact CB-CD 4.5Å; K54-K56 HydrophobicContact CB-CG 4.16Å; K54-K56 PolarHBondContact O-N 3.33Å; K56-Y59 HydrophobicContact CD-CE2 4.29Å; K56-Y59 HydrophobicContact CG-CD2 3.74Å; K56-Y59 HydrophobicContact CG-CE2 3.99Å; K56-Y59 PolarHBondContact O-N 3.2Å; K56-A141 PolarHBondContact NZ-O 3.07Å; K56-D145 VanDerWaalsContact NZ-CB 3.3Å; K56-D145 IonicContact NZ-OD2 2.56Å; K56-D145 PolarHBondContact NZ-OD2 3.23Å
57Q97.4Very high97.6Very high140 Ų14055.3 Ų55.365%0.65425%0.252SS*.THydrogen-bonded Turntrans-57.9141.7178.3-63.8173.4-23.200111.6H139Q57-H139 WeakPolarHBondContact CB-CE1 3.41Å; Q57-H139 PolarHBondContact OE1-CE1 2.84Å
58G97.4Very high97.5Very high12 Ų1255.2 Ų55.212%0.12425%0.252CS..THydrogen-bonded Turntrans92.1-11.5-174.300000114.9I135 D136G58-I135 CarbonylContact O-C 3.5Å; G58-I135 WeakPolarHBondContact O-CA 3.29Å; G58-D136 PolarHBondContact O-N 2.84Å
59Y98.1Very high97.4Very high23 Ų2358.3 Ų58.39%0.0928%0.283CS..EExtended strand (participates in β ladder)trans-89.6128.6166.2-79.5-103.5000110.3G52 Y53 K54 K56 L116 I133 I135 I142 I148G52-Y59 VanDerWaalsContact O-CE1 3.23Å; G52-Y59 WeakPolarHBondContact O-CE1 3.5Å; G52-Y59 PolarHBondContact O-OH 2.78Å; Y53-Y59 AromaticContact CD2-CD1 3.8Å; Y53-Y59 HydrophobicContact CD2-CD1 3.8Å; Y53-Y59 HydrophobicContact CD2-CG 4.29Å; Y53-Y59 HydrophobicContact CE2-CD1 4.44Å; Y53-Y59 HydrophobicContact CE2-CG 4.5Å; Y53-Y59 HydrophobicContact CG-CD1 4.48Å; K54-Y59 HydrophobicContact CB-CE2 4.21Å; K54-Y59 WeakPolarHBondContact O-CB 3.23Å; K56-Y59 HydrophobicContact CD-CE2 4.29Å; K56-Y59 HydrophobicContact CG-CD2 3.74Å; K56-Y59 HydrophobicContact CG-CE2 3.99Å; K56-Y59 PolarHBondContact O-N 3.2Å; Y59-L116 HydrophobicContact CE1-CD2 4.16Å; Y59-I133 HydrophobicContact CD1-CG2 3.99Å; Y59-I133 HydrophobicContact CE1-CG2 4.38Å; Y59-I135 HydrophobicContact CD1-CD1 4.43Å; Y59-I135 HydrophobicContact CD1-CG1 4.04Å; Y59-I135 HydrophobicContact CE1-CD1 3.81Å; Y59-I135 HydrophobicContact CE1-CG1 3.92Å; Y59-I135 HydrophobicContact CG-CG1 4.48Å; Y59-I142 HydrophobicContact CD2-CD1 3.64Å; Y59-I142 HydrophobicContact CE2-CD1 3.49Å; Y59-I142 VanDerWaalsContact CE2-CD1 3.49Å; Y59-I148 WeakPolarHBondContact OH-CG1 3.21Å
60V97.6Very high97.3Very high23 Ų2356.1 Ų56.114%0.13929%0.293CS..EExtended strand (participates in β ladder)trans-130.7143.8-179.9-172.90000109.4R38 Y62 C134R38-V60 HydrophobicContact CG-CG1 4.17Å; V60-Y62 HydrophobicContact CG1-CD2 4.02Å; V60-Y62 HydrophobicContact CG1-CE2 3.6Å; V60-C134 HydrophobicContact CB-CB 4.42Å; V60-C134 PolarHBondContact N-O 2.88Å; V60-C134 PolarHBondContact O-N 2.55Å; V60-C134 VanDerWaalsContact O-O 3.12Å
61I98.3Very high97.2Very high4 Ų457 Ų572%0.02130%0.296CS..EExtended strand (participates in β ladder)trans-116.3127.7177.4-61.9-178.5000109.4V39 P42 Y53 E131V39-I61 HydrophobicContact CB-CG2 4.44Å; V39-I61 HydrophobicContact CG2-CG2 4.29Å; V39-I61 PolarHBondContact N-O 3.01Å; P42-I61 VanDerWaalsContact CA-CD1 3.47Å; P42-I61 HydrophobicContact CB-CD1 3.4Å; P42-I61 VanDerWaalsContact CD-CD1 3.5Å; P42-I61 HydrophobicContact CG-CD1 3.85Å; Y53-I61 HydrophobicContact CD2-CD1 4.03Å; Y53-I61 HydrophobicContact CD2-CG1 4.31Å; Y53-I61 HydrophobicContact CE2-CD1 3.82Å; Y53-I61 HydrophobicContact CE2-CG1 4.14Å; I61-E131 HydrophobicContact CG2-CB 3.96Å; I61-E131 HydrophobicContact CG2-CG 4.06Å
62Y98.4Very high97Very high39 Ų3960.9 Ų60.915%0.15331%0.313CS..EExtended strand (participates in β ladder)trans-111.7130.7170.4-80.4-89.7000109.6I36 V37 R38 V60 V106 L113 E131 V132 C134I36-Y62 HydrophobicContact CG2-CD1 3.84Å; V37-Y62 CarbonylContact O-C 3.55Å; V37-Y62 WeakPolarHBondContact O-CA 3.23Å; R38-Y62 HydrophobicContact CB-CD1 4.22Å; R38-Y62 HydrophobicContact CB-CE1 3.82Å; R38-Y62 HydrophobicContact CG-CE1 4.47Å; V60-Y62 HydrophobicContact CG1-CD2 4.02Å; V60-Y62 HydrophobicContact CG1-CE2 3.6Å; Y62-V106 HydrophobicContact CD2-CG1 4.3Å; Y62-V106 HydrophobicContact CG-CG1 4.12Å; Y62-L113 HydrophobicContact CE2-CD1 4.07Å; Y62-E131 CarbonylContact O-C 3.51Å; Y62-E131 WeakPolarHBondContact O-CA 3.46Å; Y62-V132 PolarHBondContact N-O 2.84Å; Y62-V132 PolarHBondContact O-N 2.99Å; Y62-C134 HydrophobicContact CD2-CB 4.48Å
63R98.4Very high97Very high23 Ų2363.7 Ų63.79%0.08731%0.314CS..EExtended strand (participates in β ladder)trans-92.6135168-167.7179.2-58.9148.60.8108.6I36 V37 V39 S43 F130 E131I36-R63 WeakPolarHBondContact CA-O 3.36Å; V37-R63 HydrophobicContact CG1-CB 4.33Å; V37-R63 PolarHBondContact N-O 2.54Å; V37-R63 PolarHBondContact O-N 2.93Å; V39-R63 HydrophobicContact CG2-CB 3.63Å; S43-R63 PolarHBondContact OG-NH2 3.42Å; S43-R63 VanDerWaalsContact OG-NH2 3.1Å; R63-F130 CarbonylContact C-O 3.55Å; R63-F130 WeakPolarHBondContact CA-O 3.32Å; R63-E131 HydrophobicContact CB-CG 4.16Å; R63-E131 HydrophobicContact CG-CG 4.15Å; R63-E131 IonicContact CZ-OE1 3.65Å; R63-E131 IonicContact NE-OE1 3.21Å; R63-E131 PolarHBondContact NE-OE1 3.26Å; R63-E131 IonicContact NH2-OE1 3.19Å; R63-E131 PolarHBondContact NH2-OE1 3.32Å
64I98.4Very high96.9Very high2 Ų269.8 Ų69.81%0.0134%0.344CS..EExtended strand (participates in β ladder)trans-133.8138.2179.2-179165.5000110.8A35 I36 I66 A102 R105 V106 F129 F130 V132A35-I64 VanDerWaalsContact O-CA 3.28Å; A35-I64 WeakPolarHBondContact O-CA 3.39Å; I36-I64 HydrophobicContact CD1-CD1 3.9Å; I36-I64 HydrophobicContact CG1-CB 4.33Å; I36-I64 HydrophobicContact CG1-CD1 3.71Å; I36-I64 HydrophobicContact CG1-CG1 3.85Å; I64-I66 HydrophobicContact CD1-CD1 3.79Å; I64-I66 HydrophobicContact CG1-CD1 3.94Å; I64-I66 HydrophobicContact CG1-CG1 4.37Å; I64-A102 WeakPolarHBondContact CD1-O 3.41Å; I64-A102 HydrophobicContact CG2-CB 3.73Å; I64-R105 HydrophobicContact CD1-CB 3.44Å; I64-R105 VanDerWaalsContact CD1-CB 3.44Å; I64-R105 HydrophobicContact CD1-CG 4.4Å; I64-V106 HydrophobicContact CB-CG2 3.91Å; I64-V106 HydrophobicContact CD1-CG2 3.82Å; I64-V106 HydrophobicContact CG1-CG2 4.46Å; I64-V106 HydrophobicContact CG2-CG2 3.89Å; I64-F129 WeakPolarHBondContact O-CA 3.36Å; I64-F130 HydrophobicContact CG2-CB 4.13Å; I64-F130 PolarHBondContact N-O 3.37Å; I64-F130 PolarHBondContact O-N 3.48Å; I64-V132 HydrophobicContact CG2-CG2 3.92Å
65R98Very high96.9Very high71 Ų7167.1 Ų67.127%0.26834%0.335SS..EExtended strand (participates in β ladder)trans-100.2136.6168.983.4-171.5-179.6-174.92.5110.9R31 S33 A35 F127 F129R31-R65 PolarHBondContact O-NH1 2.84Å; S33-R65 PolarHBondContact O-NH1 2.91Å; A35-R65 HydrophobicContact CB-CG 4.12Å; A35-R65 PolarHBondContact O-N 3.23Å; R65-F127 HydrophobicContact CB-CB 4.48Å; R65-F127 HydrophobicContact CB-CD1 4.39Å; R65-F127 HydrophobicContact CG-CD1 4.06Å; R65-F127 HydrophobicContact CG-CE1 4.34Å; R65-F129 HydrophobicContact CB-CD1 3.56Å; R65-F129 HydrophobicContact CB-CE1 3.49Å; R65-F129 VanDerWaalsContact CB-CE1 3.49Å; R65-F129 HydrophobicContact CB-CZ 4.48Å
66I98Very high96.9Very high8 Ų868.5 Ų68.54%0.04134%0.338CS..EExtended strand (participates in β ladder)trans-127.2133.7173.8-54.9-65.8000109I64 R68 I98 V101 A102 R105 F127 K128I64-I66 HydrophobicContact CD1-CD1 3.79Å; I64-I66 HydrophobicContact CG1-CD1 3.94Å; I64-I66 HydrophobicContact CG1-CG1 4.37Å; I66-R68 PolarHBondContact O-N 2.57Å; I66-I98 HydrophobicContact CB-CG2 3.69Å; I66-I98 HydrophobicContact CG1-CG2 4.41Å; I66-I98 HydrophobicContact CG2-CG2 3.48Å; I66-I98 VanDerWaalsContact CG2-CG2 3.48Å; I66-V101 HydrophobicContact CD1-CG1 4.43Å; I66-V101 HydrophobicContact CG2-CG1 4.48Å; I66-A102 HydrophobicContact CD1-CB 4.27Å; I66-A102 HydrophobicContact CG1-CB 3.71Å; I66-R105 HydrophobicContact CD1-CG 4.5Å; I66-F127 CarbonylContact O-C 3.54Å; I66-F127 VanDerWaalsContact O-CA 3.28Å; I66-F127 WeakPolarHBondContact O-CA 3.35Å; I66-K128 PolarHBondContact N-O 3.47Å; I66-K128 PolarHBondContact O-N 3.11Å
67R97.5Very high96.9Very high185 Ų18576.1 Ų76.170%0.69837%0.371SS*.EExtended strand (participates in β ladder)trans-59.6138174-72.6-176.583.1160.13.3110.3T126 F127R67-T126 CarbonylContact C-O 3.53Å; R67-T126 VanDerWaalsContact CA-O 3.29Å; R67-T126 WeakPolarHBondContact CA-O 2.88Å; R67-F127 HydrophobicContact CB-CD1 4.44Å; R67-F127 HydrophobicContact CB-CE1 4.48Å; R67-F127 HydrophobicContact CG-CD1 3.77Å; R67-F127 HydrophobicContact CG-CE1 3.38Å; R67-F127 HydrophobicContact CG-CZ 4.29Å
68R96.4Very high96.8Very high90 Ų9071 Ų7134%0.3436%0.355SS..  trans-77.9168.4175.7-68.1175.664.2149.16.5110.8I66 E123 D124 T126 F127 K128I66-R68 PolarHBondContact O-N 2.57Å; R68-E123 IonicContact CZ-OE1 2.85Å; R68-E123 IonicContact NH1-OE1 3.3Å; R68-E123 PolarHBondContact NH1-OE1 3.15Å; R68-E123 IonicContact NH1-OE2 2.68Å; R68-E123 IonicContact NH2-OE1 3.74Å; R68-E123 PolarHBondContact NH2-OE1 3.36Å; R68-D124 WeakPolarHBondContact CD-O 3.34Å; R68-D124 PolarHBondContact NH1-O 3.16Å; R68-T126 PolarHBondContact N-O 3.35Å; R68-F127 WeakPolarHBondContact CD-O 3.26Å; R68-K128 HydrophobicContact CG-CB 4.34Å; R68-K128 HydrophobicContact CG-CD 4.17Å; R68-K128 HydrophobicContact CG-CG 3.74Å
69G95.2Very high96.7Very high64 Ų6472.1 Ų72.166%0.6636%0.364SS*.SBendtrans102.8-174.7173.500000113.8
70G94.4Very high96.6Very high58 Ų5872.4 Ų72.460%0.59837%0.368SS*.  trans-72-177.1173.400000112.4L92G70-L92 WeakPolarHBondContact CA-O 3.34Å
71R94Very high96.4Very high152 Ų15280.8 Ų80.857%0.57440%0.399SS*.  trans-124.6104.2175.2-172.4173.7-177-173.3-0.9108.7L92 N94R71-L92 PolarHBondContact N-O 3.34Å; R71-N94 HydrophobicContact CB-CB 4.47Å
72K94.9Very high96.2Very high109 Ų10983.5 Ų83.547%0.47443%0.428SS..  trans-55.7140.8174.6-170.1-170.8175.6-179.60110.4Q74 V89K72-Q74 PolarHBondContact O-N 3.36Å; K72-Q74 PolarHBondContact O-NE2 2.9Å; K72-Q74 VanDerWaalsContact O-NE2 3.07Å; K72-V89 WeakPolarHBondContact CA-O 3.36Å; K72-V89 HydrophobicContact CD-CG1 4.08Å; K72-V89 HydrophobicContact CG-CG1 3.58Å
73R96.4Very high96.1Very high87 Ų8790 Ų9033%0.32846%0.457SS..  trans-61.5133.1169.7-163-180-63.6-171.311.5109.8V75 G86 G88 V89 L92R73-V75 HydrophobicContact CB-CG2 4.45Å; R73-V75 HydrophobicContact CG-CG1 3.99Å; R73-V75 HydrophobicContact CG-CG2 4.47Å; R73-V75 PolarHBondContact O-N 3.16Å; R73-G86 PolarHBondContact NH1-O 3.21Å; R73-G86 PolarHBondContact NH2-O 3.49Å; R73-G88 PolarHBondContact NE-O 3.25Å; R73-G88 PolarHBondContact NH2-O 3.41Å; R73-V89 HydrophobicContact CB-CG1 4.34Å; R73-V89 PolarHBondContact N-O 2.9Å; R73-L92 HydrophobicContact CB-CD1 3.8Å
74Q96.3Very high96Very high154 Ų15493.9 Ų93.972%0.7249%0.485SS*.  trans-85.886.7178.3-57.2-57.6-46.800108.5K72K72-Q74 PolarHBondContact O-N 3.36Å; K72-Q74 PolarHBondContact O-NE2 2.9Å; K72-Q74 VanDerWaalsContact O-NE2 3.07Å
75V96.8Very high95.9Very high36 Ų3698.9 Ų98.922%0.21853%0.526CS..  trans-130.7139.7176.6-750000110.2R73 K77 T80 V89R73-V75 HydrophobicContact CB-CG2 4.45Å; R73-V75 HydrophobicContact CG-CG1 3.99Å; R73-V75 HydrophobicContact CG-CG2 4.47Å; R73-V75 PolarHBondContact O-N 3.16Å; V75-K77 PolarHBondContact O-N 2.87Å; V75-T80 HydrophobicContact CG1-CG2 4.34Å; V75-T80 HydrophobicContact CG2-CG2 4.24Å; V75-V89 HydrophobicContact CG2-CG1 4.41Å; V75-V89 HydrophobicContact CG2-CG2 3.91Å
76P96.6Very high95.7Very high99 Ų9997 Ų9764%0.64353%0.529SS*.G310 helixtrans-63.7132.1177.727.2-33.2000109.9G78 A79P76-G78 PolarHBondContact O-N 3.12Å; P76-A79 PolarHBondContact O-N 3.46Å
77K96.3Very high95.7Very high220 Ų220101.4 Ų101.496%0.95755%0.549SS*.G310 helixtrans52.915.5178.6-57.2-177.8-179.9179.70115.9V75 A79V75-K77 PolarHBondContact O-N 2.87Å; K77-A79 VanDerWaalsContact C-N 3.26Å; K77-A79 PolarHBondContact O-N 3.23Å
78G95Very high95.6Very high31 Ų3194.5 Ų94.532%0.3254%0.536SS..G310 helixtrans80.9-1.1-175.400000114.9P76 T80P76-G78 PolarHBondContact O-N 3.12Å; G78-T80 PolarHBondContact O-N 3.26Å
79A96.5Very high95.6Very high36 Ų3691 Ų9130%0.29853%0.525SS..  trans-78.7110.5-178.200000110.8P76 K77 Y81P76-A79 PolarHBondContact O-N 3.46Å; K77-A79 VanDerWaalsContact C-N 3.26Å; K77-A79 PolarHBondContact O-N 3.23Å; A79-Y81 HydrophobicContact CB-CD2 4.19Å; A79-Y81 HydrophobicContact CB-CE2 3.59Å
80T95.7Very high95.6Very high30 Ų3094 Ų9418%0.18453%0.525CS..  trans-88.4-22.7178.757.80000113.7V75 G78 E87 V89V75-T80 HydrophobicContact CG1-CG2 4.34Å; V75-T80 HydrophobicContact CG2-CG2 4.24Å; G78-T80 PolarHBondContact O-N 3.26Å; T80-E87 WeakPolarHBondContact OG1-CA 3.24Å; T80-V89 HydrophobicContact CG2-CG2 3.89Å
81Y93.1Very high95.7Very high199 Ų199100.2 Ų100.278%0.7854%0.539SS*.  trans55109.3-172.9-56.2-86.8000112.8A79A79-Y81 HydrophobicContact CB-CD2 4.19Å; A79-Y81 HydrophobicContact CB-CE2 3.59Å
82G93Very high95.8Very high61 Ų6195.9 Ų95.963%0.62953%0.526SS*.SBendtrans146.2-154.517700000113.7
83K96.3Very high95.9Very high176 Ų17699.6 Ų99.677%0.76554%0.543SS*.  trans-72.7147.6-177.4-61.3-176.1179-1740111.3A85 G86K83-A85 PolarHBondContact O-N 3.39Å; K83-A85 VanDerWaalsContact O-N 3.07Å; K83-G86 PolarHBondContact O-N 2.97Å
84P96.6Very high95.8Very high104 Ų10498.6 Ų98.668%0.67554%0.544SS*.G310 helixtrans-51.1-36.9-179.5-31.536.3000115.2G86 E87P84-G86 PolarHBondContact O-N 3.32Å; P84-G86 VanDerWaalsContact O-N 3.09Å; P84-E87 PolarHBondContact O-N 3.21Å; P84-E87 VanDerWaalsContact O-N 3.12Å
85A96.4Very high95.7Very high106 Ų10699.6 Ų99.688%0.87655%0.549SS*.G310 helixtrans-59.6-24177.300000113.9K83K83-A85 PolarHBondContact O-N 3.39Å; K83-A85 VanDerWaalsContact O-N 3.07Å
86G95Very high95.7Very high32 Ų32101.7 Ų101.733%0.3355%0.553SS.*G310 helixtrans-92.5-5.3-179.700000114.7R73 K83 P84 G88R73-G86 PolarHBondContact NH1-O 3.21Å; R73-G86 PolarHBondContact NH2-O 3.49Å; K83-G86 PolarHBondContact O-N 2.97Å; P84-G86 PolarHBondContact O-N 3.32Å; P84-G86 VanDerWaalsContact O-N 3.09Å; G86-G88 VanDerWaalsContact C-N 3.35Å; G86-G88 PolarHBondContact O-N 2.87Å
87E96.2Very high95.7Very high101 Ų10199.2 Ų99.247%0.47254%0.538SS..  trans-79.7-11-168.2-66.7177.2-17700114.9T80 P84 V89T80-E87 WeakPolarHBondContact OG1-CA 3.24Å; P84-E87 PolarHBondContact O-N 3.21Å; P84-E87 VanDerWaalsContact O-N 3.12Å; E87-V89 WeakPolarHBondContact O-CG2 3.3Å; E87-V89 PolarHBondContact O-N 3.26Å
88G95.7Very high95.7Very high40 Ų4091 Ų9141%0.41250%0.504SS..  trans-59.2124.5-178.900000113.9R73 G86 L92R73-G88 PolarHBondContact NE-O 3.25Å; R73-G88 PolarHBondContact NH2-O 3.41Å; G86-G88 VanDerWaalsContact C-N 3.35Å; G86-G88 PolarHBondContact O-N 2.87Å; G88-L92 WeakPolarHBondContact O-CD1 3.37Å
89V96.6Very high95.9Very high17 Ų1791.7 Ų91.710%0.10350%0.499CS..  trans-116.4-47.9-176.6173.30000113.3K72 R73 V75 T80 E87K72-V89 WeakPolarHBondContact CA-O 3.36Å; K72-V89 HydrophobicContact CD-CG1 4.08Å; K72-V89 HydrophobicContact CG-CG1 3.58Å; R73-V89 HydrophobicContact CB-CG1 4.34Å; R73-V89 PolarHBondContact N-O 2.9Å; V75-V89 HydrophobicContact CG2-CG1 4.41Å; V75-V89 HydrophobicContact CG2-CG2 3.91Å; T80-V89 HydrophobicContact CG2-CG2 3.89Å; E87-V89 WeakPolarHBondContact O-CG2 3.3Å; E87-V89 PolarHBondContact O-N 3.26Å
90N96Very high95.9Very high125 Ų12590.1 Ų90.167%0.66849%0.486SS*.SBendtrans-86.4-42.3-164.2-68.3-26.8000114.5L92N90-L92 VanDerWaalsContact C-N 3.27Å; N90-L92 PolarHBondContact O-N 3.27Å
91Q96Very high96.1Very high189 Ų18989.8 Ų89.888%0.88348%0.483SS*.SBendtrans-90.321.6-171.9-63.5-177.8-5.500114
92L96.2Very high96.3Very high61 Ų6180.3 Ų80.332%0.31945%0.446SS..  trans-77.7140.5-178.7-59.8-179000112.3G70 R71 R73 G88 N90G70-L92 WeakPolarHBondContact CA-O 3.34Å; R71-L92 PolarHBondContact N-O 3.34Å; R73-L92 HydrophobicContact CB-CD1 3.8Å; G88-L92 WeakPolarHBondContact O-CD1 3.37Å; N90-L92 VanDerWaalsContact C-N 3.27Å; N90-L92 PolarHBondContact O-N 3.27Å
93K96.3Very high96.6Very high188 Ų18877.4 Ų77.482%0.81742%0.416SS*.  trans-109.8139.2177.5-62.8172.7-174.1170.30109.8
94N95Very high96.7Very high66 Ų6670.2 Ų70.235%0.35339%0.385SS..  trans-68.9138174.3-169.211.8000110.2R71 R96R71-N94 HydrophobicContact CB-CB 4.47Å; N94-R96 VanDerWaalsContact C-N 3.26Å; N94-R96 PolarHBondContact ND2-O 3.23Å; N94-R96 PolarHBondContact O-N 2.92Å
95Q95Very high96.7Very high175 Ų17571.4 Ų71.482%0.81838%0.376SS*.SBendtrans-65.9-31.4177.6-66-177.3-8.600112.2
96R95.8Very high96.8Very high80 Ų8066.3 Ų66.330%0.30234%0.335SS..SBendtrans-94145.6177.9-62.8-173-64.9148.82.9110.8N94 A100 E104N94-R96 VanDerWaalsContact C-N 3.26Å; N94-R96 PolarHBondContact ND2-O 3.23Å; N94-R96 PolarHBondContact O-N 2.92Å; R96-A100 HydrophobicContact CB-CB 4.41Å; R96-E104 IonicContact CZ-OE2 3.86Å; R96-E104 IonicContact NH1-OE2 2.98Å; R96-E104 PolarHBondContact NH1-OE2 3.49Å; R96-E104 IonicContact NH2-OE2 3.94Å; R96-E104 PolarHBondContact NH2-OE2 3.03Å
97S96.4Very high97Very high47 Ų4764.9 Ų64.933%0.32932%0.32SS..  trans-64.7151.8176.968.80000111.5Q99 A100 V101S97-Q99 PolarHBondContact O-N 3.1Å; S97-A100 WeakPolarHBondContact O-CB 3.2Å; S97-A100 PolarHBondContact O-N 3.3Å; S97-A100 WeakPolarHBondContact OG-CB 3.49Å; S97-A100 PolarHBondContact OG-N 2.86Å; S97-A100 VanDerWaalsContact OG-N 3.1Å; S97-V101 PolarHBondContact O-N 3.25Å
98I97.6Very high97Very high47 Ų4767.6 Ų67.624%0.24133%0.326CS..Hα-helixtrans-56.2-34.9174-59.1177.8000110.5I66 V101 A102 K128 F130I66-I98 HydrophobicContact CB-CG2 3.69Å; I66-I98 HydrophobicContact CG1-CG2 4.41Å; I66-I98 HydrophobicContact CG2-CG2 3.48Å; I66-I98 VanDerWaalsContact CG2-CG2 3.48Å; I98-V101 PolarHBondContact O-N 3.08Å; I98-A102 PolarHBondContact O-N 3.09Å; I98-K128 HydrophobicContact CD1-CD 4.15Å; I98-K128 HydrophobicContact CG2-CB 4.49Å; I98-F130 HydrophobicContact CG2-CE2 3.88Å; I98-F130 HydrophobicContact CG2-CZ 4.42Å
99Q98.1Very high97.1Very high46 Ų4672 Ų7222%0.21533%0.333CS..Hα-helixtrans-64.2-41.5175.1-173177.62.900112.4S97 V101 A102 E103 S118 F130 A167S97-Q99 PolarHBondContact O-N 3.1Å; Q99-V101 VanDerWaalsContact C-N 3.33Å; Q99-A102 VanDerWaalsContact O-CB 3.26Å; Q99-A102 WeakPolarHBondContact O-CB 3.25Å; Q99-A102 PolarHBondContact O-N 3.37Å; Q99-E103 PolarHBondContact O-N 2.97Å; Q99-S118 WeakPolarHBondContact CG-OG 3.44Å; Q99-S118 VanDerWaalsContact NE2-C 3.31Å; Q99-S118 PolarHBondContact NE2-O 3.3Å; Q99-S118 PolarHBondContact NE2-OG 3.33Å; Q99-F130 HydrophobicContact CB-CD1 4.14Å; Q99-F130 HydrophobicContact CB-CE1 3.63Å; Q99-F130 HydrophobicContact CB-CZ 3.86Å; Q99-F130 HydrophobicContact CG-CD1 3.77Å; Q99-F130 HydrophobicContact CG-CE1 3.72Å; Q99-F130 HydrophobicContact CG-CG 4.5Å; Q99-F130 HydrophobicContact CG-CZ 4.4Å; Q99-A167 HydrophobicContact CB-CB 4.09Å; Q99-A167 HydrophobicContact CG-CB 3.7Å
100A97.9Very high97.1Very high3 Ų371.9 Ų71.93%0.02533%0.333CS..Hα-helixtrans-67.1-35.3175.300000111.9R96 S97 A102 E103 E104 A167R96-A100 HydrophobicContact CB-CB 4.41Å; S97-A100 WeakPolarHBondContact O-CB 3.2Å; S97-A100 PolarHBondContact O-N 3.3Å; S97-A100 WeakPolarHBondContact OG-CB 3.49Å; S97-A100 PolarHBondContact OG-N 2.86Å; S97-A100 VanDerWaalsContact OG-N 3.1Å; A100-A102 VanDerWaalsContact C-N 3.29Å; A100-E103 PolarHBondContact O-N 2.91Å; A100-E104 PolarHBondContact O-N 3.05Å; A100-A167 HydrophobicContact CB-CB 4.34Å
101V97.9Very high97Very high22 Ų2268 Ų6813%0.13332%0.322CS..Hα-helixtrans-64.7-36.7172178.30000111.1I66 S97 I98 Q99 E104 R105I66-V101 HydrophobicContact CD1-CG1 4.43Å; I66-V101 HydrophobicContact CG2-CG1 4.48Å; S97-V101 PolarHBondContact O-N 3.25Å; I98-V101 PolarHBondContact O-N 3.08Å; Q99-V101 VanDerWaalsContact C-N 3.33Å; V101-E104 PolarHBondContact O-N 3.4Å; V101-R105 WeakPolarHBondContact O-CG 3.47Å; V101-R105 PolarHBondContact O-N 3.41Å
102A98.3Very high97.1Very high0 Ų062.4 Ų62.40%031%0.309CS..Hα-helixtrans-61.7-48.5174.900000111.7I64 I66 I98 Q99 A100 E104 R105 V106 F130I64-A102 WeakPolarHBondContact CD1-O 3.41Å; I64-A102 HydrophobicContact CG2-CB 3.73Å; I66-A102 HydrophobicContact CD1-CB 4.27Å; I66-A102 HydrophobicContact CG1-CB 3.71Å; I98-A102 PolarHBondContact O-N 3.09Å; Q99-A102 VanDerWaalsContact O-CB 3.26Å; Q99-A102 WeakPolarHBondContact O-CB 3.25Å; Q99-A102 PolarHBondContact O-N 3.37Å; A100-A102 VanDerWaalsContact C-N 3.29Å; A102-E104 PolarHBondContact O-N 3.42Å; A102-R105 PolarHBondContact O-N 2.92Å; A102-V106 PolarHBondContact O-N 3.19Å; A102-F130 HydrophobicContact CB-CB 4.12Å; A102-F130 HydrophobicContact CB-CD2 3.68Å; A102-F130 HydrophobicContact CB-CE2 4.41Å; A102-F130 HydrophobicContact CB-CG 4.07Å
103E98.6Very high97.2Very high1 Ų161 Ų611%0.00530%0.301CS..Hα-helixtrans-57.7-49.4174.6-69173.2169.800110.9Q99 A100 R105 V106 G107 I115 S118 E160 T165Q99-E103 PolarHBondContact O-N 2.97Å; A100-E103 PolarHBondContact O-N 2.91Å; E103-R105 PolarHBondContact O-N 3.04Å; E103-V106 PolarHBondContact O-N 3.43Å; E103-G107 PolarHBondContact O-N 2.86Å; E103-I115 HydrophobicContact CB-CD1 4.13Å; E103-I115 HydrophobicContact CB-CG2 4.34Å; E103-I115 HydrophobicContact CG-CG2 4.24Å; E103-I115 WeakPolarHBondContact O-CD1 3.4Å; E103-S118 VanDerWaalsContact CD-OG 3.29Å; E103-S118 WeakPolarHBondContact CG-OG 3.47Å; E103-S118 WeakPolarHBondContact OE1-CB 3.32Å; E103-S118 PolarHBondContact OE1-N 2.72Å; E103-S118 PolarHBondContact OE1-OG 2.66Å; E103-E160 HydrophobicContact CB-CB 3.95Å; E103-T165 WeakPolarHBondContact OE2-CB 3.42Å; E103-T165 PolarHBondContact OE2-OG1 2.67Å
104E98.2Very high97.3Very high25 Ų2553 Ų5312%0.11727%0.266CS..Hα-helixtrans-57.9-44.3-179.6-173-173.7175.300113.1R96 A100 V101 A102 V106 G107 R108 M161R96-E104 IonicContact CZ-OE2 3.86Å; R96-E104 IonicContact NH1-OE2 2.98Å; R96-E104 PolarHBondContact NH1-OE2 3.49Å; R96-E104 IonicContact NH2-OE2 3.94Å; R96-E104 PolarHBondContact NH2-OE2 3.03Å; A100-E104 PolarHBondContact O-N 3.05Å; V101-E104 PolarHBondContact O-N 3.4Å; A102-E104 PolarHBondContact O-N 3.42Å; E104-V106 PolarHBondContact O-N 2.98Å; E104-G107 PolarHBondContact O-N 3.06Å; E104-R108 HydrophobicContact CG-CG 4.48Å; E104-R108 WeakPolarHBondContact O-CG 3.48Å; E104-R108 PolarHBondContact O-N 2.52Å; E104-R108 IonicContact OE1-CZ 3.29Å; E104-R108 VanDerWaalsContact OE1-CZ 3.29Å; E104-R108 IonicContact OE1-NE 3.01Å; E104-R108 PolarHBondContact OE1-NE 3.1Å; E104-R108 IonicContact OE1-NH2 3.9Å; E104-R108 PolarHBondContact OE1-NH2 3Å; E104-M161 HydrophobicContact CG-CG 4.37Å
105R98.3Very high97.5Very high128 Ų12850 Ų5048%0.48325%0.25SS..Hα-helixtrans-64.2-39.9179.7-75.1-172.8-174-168.8-6.1112.4I36 I64 I66 V101 A102 E103 K109I36-R105 HydrophobicContact CD1-CB 4.4Å; I64-R105 HydrophobicContact CD1-CB 3.44Å; I64-R105 VanDerWaalsContact CD1-CB 3.44Å; I64-R105 HydrophobicContact CD1-CG 4.4Å; I66-R105 HydrophobicContact CD1-CG 4.5Å; V101-R105 WeakPolarHBondContact O-CG 3.47Å; V101-R105 PolarHBondContact O-N 3.41Å; A102-R105 PolarHBondContact O-N 2.92Å; E103-R105 PolarHBondContact O-N 3.04Å; R105-K109 PolarHBondContact O-N 2.85Å; R105-K109 VanDerWaalsContact O-N 3.12Å
106V98.3Very high97.6Very high0 Ų042.2 Ų42.20%021%0.214CC..Hα-helixtrans-66.3-42.6174175.70000110.5I36 Y62 I64 A102 E103 E104 R108 K109 C110 I115 V132I36-V106 HydrophobicContact CG2-CG2 4.32Å; Y62-V106 HydrophobicContact CD2-CG1 4.3Å; Y62-V106 HydrophobicContact CG-CG1 4.12Å; I64-V106 HydrophobicContact CB-CG2 3.91Å; I64-V106 HydrophobicContact CD1-CG2 3.82Å; I64-V106 HydrophobicContact CG1-CG2 4.46Å; I64-V106 HydrophobicContact CG2-CG2 3.89Å; A102-V106 PolarHBondContact O-N 3.19Å; E103-V106 PolarHBondContact O-N 3.43Å; E104-V106 PolarHBondContact O-N 2.98Å; V106-R108 VanDerWaalsContact C-N 3.31Å; V106-R108 PolarHBondContact O-N 3.04Å; V106-K109 PolarHBondContact O-N 2.91Å; V106-C110 WeakPolarHBondContact O-CB 3.44Å; V106-C110 PolarHBondContact O-N 3.39Å; V106-I115 HydrophobicContact CB-CD1 4.3Å; V106-I115 HydrophobicContact CG1-CD1 4.46Å; V106-V132 HydrophobicContact CB-CB 4.37Å; V106-V132 HydrophobicContact CB-CG1 4.28Å; V106-V132 HydrophobicContact CB-CG2 4.3Å; V106-V132 HydrophobicContact CG1-CB 4.24Å; V106-V132 HydrophobicContact CG1-CG1 4.11Å; V106-V132 HydrophobicContact CG2-CB 4.19Å; V106-V132 HydrophobicContact CG2-CG2 3.81Å
107G97.9Very high97.7Very high2 Ų239.7 Ų39.72%0.02121%0.206CC..Hα-helixtrans-64.3-34.9-179.900000112.9E103 E104 C110 G111E103-G107 PolarHBondContact O-N 2.86Å; E104-G107 PolarHBondContact O-N 3.06Å; G107-C110 CarbonylContact O-C 3.57Å; G107-G111 WeakPolarHBondContact O-CA 3.28Å; G107-G111 PolarHBondContact O-N 2.69Å
108R97.8Very high97.8Very high157 Ų15737.6 Ų37.659%0.59219%0.192SC*.Hα-helixtrans-67.6-44.6171.7-71.2-178.6-175.6-81.8-0.2112.2E104 V106 M161E104-R108 HydrophobicContact CG-CG 4.48Å; E104-R108 WeakPolarHBondContact O-CG 3.48Å; E104-R108 PolarHBondContact O-N 2.52Å; E104-R108 IonicContact OE1-CZ 3.29Å; E104-R108 VanDerWaalsContact OE1-CZ 3.29Å; E104-R108 IonicContact OE1-NE 3.01Å; E104-R108 PolarHBondContact OE1-NE 3.1Å; E104-R108 IonicContact OE1-NH2 3.9Å; E104-R108 PolarHBondContact OE1-NH2 3Å; V106-R108 VanDerWaalsContact C-N 3.31Å; V106-R108 PolarHBondContact O-N 3.04Å; R108-M161 HydrophobicContact CB-CE 4.44Å; R108-M161 HydrophobicContact CG-CE 3.46Å; R108-M161 VanDerWaalsContact CG-CE 3.46Å
109K97.2Very high97.9Very high132 Ų13235.5 Ų35.557%0.57418%0.181SC*.Hα-helixtrans-67.4-37.8179.3-175.2172.5178.5176.20112.1I36 R105 V106I36-K109 HydrophobicContact CB-CD 3.98Å; I36-K109 HydrophobicContact CD1-CB 4.27Å; I36-K109 HydrophobicContact CD1-CD 3.82Å; I36-K109 HydrophobicContact CG1-CD 4.49Å; I36-K109 HydrophobicContact CG2-CD 3.85Å; I36-K109 PolarHBondContact O-NZ 2.88Å; R105-K109 PolarHBondContact O-N 2.85Å; R105-K109 VanDerWaalsContact O-N 3.12Å; V106-K109 PolarHBondContact O-N 2.91Å
110C96.1Very high97.9Very high16 Ų1635.9 Ų35.911%0.10818%0.181CC..THydrogen-bonded Turntrans-113.258-176-60.60000111.2V106 G107 A112 L113V106-C110 WeakPolarHBondContact O-CB 3.44Å; V106-C110 PolarHBondContact O-N 3.39Å; G107-C110 CarbonylContact O-C 3.57Å; C110-A112 PolarHBondContact O-N 3.14Å; C110-A112 VanDerWaalsContact O-N 3.13Å; C110-L113 HydrophobicContact CB-CB 4.3Å; C110-L113 HydrophobicContact CB-CD1 3.96Å; C110-L113 HydrophobicContact CB-CG 4.19Å; C110-L113 PolarHBondContact O-N 3.31Å
111G95.3Very high97.8Very high42 Ų4236 Ų3643%0.43318%0.181SC..THydrogen-bonded Turntrans-60-24.6-171.100000116G107 L113G107-G111 WeakPolarHBondContact O-CA 3.28Å; G107-G111 PolarHBondContact O-N 2.69Å; G111-L113 VanDerWaalsContact C-N 3.34Å
112A97.6Very high97.8Very high73 Ų7335 Ų3560%0.60318%0.175SC*.THydrogen-bonded Turntrans-73.9-25.1175.100000113.2C110 P137C110-A112 PolarHBondContact O-N 3.14Å; C110-A112 VanDerWaalsContact O-N 3.13Å; A112-P137 WeakPolarHBondContact O-CD 3.47Å
113L97.9Very high97.7Very high31 Ų3138.2 Ų38.216%0.16219%0.19CC..SBendtrans-86.4161.4-178.3-56.3-176.6000111.4Y62 C110 G111 C134 I135 D136Y62-L113 HydrophobicContact CE2-CD1 4.07Å; C110-L113 HydrophobicContact CB-CB 4.3Å; C110-L113 HydrophobicContact CB-CD1 3.96Å; C110-L113 HydrophobicContact CB-CG 4.19Å; C110-L113 PolarHBondContact O-N 3.31Å; G111-L113 VanDerWaalsContact C-N 3.34Å; L113-C134 HydrophobicContact CB-CB 4.18Å; L113-C134 HydrophobicContact CD1-CB 3.83Å; L113-I135 WeakPolarHBondContact CA-O 3.38Å; L113-D136 HydrophobicContact CD2-CB 3.88Å
114R98.3Very high97.5Very high21 Ų2139.1 Ų39.18%0.07920%0.195CC..EExtended strand (participates in β ladder)trans-108.8128.8174.2-55.6-61177.980.14.2110L116 C134 I135 P137 I151 K153R114-L116 PolarHBondContact O-N 3.28Å; R114-C134 CarbonylContact O-C 3.54Å; R114-C134 WeakPolarHBondContact O-CA 3.4Å; R114-I135 PolarHBondContact N-O 3.27Å; R114-I135 PolarHBondContact O-N 3.4Å; R114-P137 HydrophobicContact CG-CB 4.06Å; R114-P137 HydrophobicContact CG-CG 3.99Å; R114-I151 HydrophobicContact CB-CD1 3.7Å; R114-I151 HydrophobicContact CB-CG1 3.81Å; R114-I151 HydrophobicContact CG-CG1 4.29Å; R114-I151 PolarHBondContact NH1-O 3.32Å; R114-K153 PolarHBondContact NH1-O 3.39Å
115I98.3Very high97.4Very high3 Ų342.8 Ų42.82%0.01522%0.223CC..EExtended strand (participates in β ladder)trans-76.9124.6173.1-65.6-169.9000109.9E103 V106 V132 R159 E160 T165E103-I115 HydrophobicContact CB-CD1 4.13Å; E103-I115 HydrophobicContact CB-CG2 4.34Å; E103-I115 HydrophobicContact CG-CG2 4.24Å; E103-I115 WeakPolarHBondContact O-CD1 3.4Å; V106-I115 HydrophobicContact CB-CD1 4.3Å; V106-I115 HydrophobicContact CG1-CD1 4.46Å; I115-V132 HydrophobicContact CD1-CG1 3.82Å; I115-V132 HydrophobicContact CG1-CG1 4.09Å; I115-V132 HydrophobicContact CG2-CG1 3.88Å; I115-R159 PolarHBondContact O-NH1 2.9Å; I115-E160 HydrophobicContact CB-CB 4.43Å; I115-E160 HydrophobicContact CD1-CB 4.01Å; I115-E160 HydrophobicContact CD1-CG 3.85Å; I115-T165 HydrophobicContact CG2-CG2 3.94Å
116L98Very high97.4Very high10 Ų1039.2 Ų39.25%0.05222%0.216CC..EExtended strand (participates in β ladder)trans-85.4-61.3174.7-177.466000110.7Y59 R114 I133 I135 I148 W150 I151 R159Y59-L116 HydrophobicContact CE1-CD2 4.16Å; R114-L116 PolarHBondContact O-N 3.28Å; L116-I133 HydrophobicContact CB-CB 4.29Å; L116-I133 HydrophobicContact CB-CG2 4.09Å; L116-I133 HydrophobicContact CD2-CG2 3.96Å; L116-I133 PolarHBondContact N-O 3.37Å; L116-I135 HydrophobicContact CB-CD1 3.96Å; L116-I135 HydrophobicContact CB-CG1 4.44Å; L116-I135 HydrophobicContact CD1-CD1 4.1Å; L116-I135 HydrophobicContact CD2-CD1 3.98Å; L116-I135 HydrophobicContact CG-CD1 4.23Å; L116-I148 HydrophobicContact CD1-CD1 4.18Å; L116-W150 HydrophobicContact CD1-CH2 4.11Å; L116-W150 HydrophobicContact CD1-CZ2 3.9Å; L116-I151 HydrophobicContact CB-CD1 4.46Å; L116-I151 HydrophobicContact CD1-CD1 4.12Å; L116-R159 PolarHBondContact O-NH1 3.42Å
117N98.3Very high97.3Very high27 Ų2740.9 Ų40.914%0.14422%0.223CC..EExtended strand (participates in β ladder)trans-164.7174.6-175.6-90.7-38.6000109.7L51 I133 S166L51-N117 HydrophobicContact CB-CB 4.04Å; L51-N117 PolarHBondContact O-ND2 2.89Å; N117-I133 PolarHBondContact O-N 2.91Å; N117-S166 VanDerWaalsContact OD1-CB 3.25Å; N117-S166 WeakPolarHBondContact OD1-CB 3.05Å; N117-S166 PolarHBondContact OD1-N 3.25Å
118S98.5Very high97.4Very high4 Ų443.1 Ų43.13%0.02823%0.232CC..EExtended strand (participates in β ladder)trans-140165.2173.1630000111.9L51 Q99 E103 E131L51-S118 WeakPolarHBondContact CD1-O 3.31Å; Q99-S118 WeakPolarHBondContact CG-OG 3.44Å; Q99-S118 VanDerWaalsContact NE2-C 3.31Å; Q99-S118 PolarHBondContact NE2-O 3.3Å; Q99-S118 PolarHBondContact NE2-OG 3.33Å; E103-S118 VanDerWaalsContact CD-OG 3.29Å; E103-S118 WeakPolarHBondContact CG-OG 3.47Å; E103-S118 WeakPolarHBondContact OE1-CB 3.32Å; E103-S118 PolarHBondContact OE1-N 2.72Å; E103-S118 PolarHBondContact OE1-OG 2.66Å; S118-E131 CarbonylContact C-O 3.56Å; S118-E131 WeakPolarHBondContact CA-O 3.49Å; S118-E131 WeakPolarHBondContact CB-O 3.14Å
119Y98.4Very high97.4Very high3 Ų335.7 Ų35.71%0.01220%0.204CC..EExtended strand (participates in β ladder)trans-146.6153.8172.953.5-86.8000112.5P42 R44 R47 A48 L51 V121 F130 E131 I133P42-Y119 VanDerWaalsContact CB-OH 3.28Å; P42-Y119 WeakPolarHBondContact CB-OH 3.49Å; R44-Y119 HydrophobicContact CB-CE2 4.01Å; R47-Y119 HydrophobicContact CG-CD1 4.46Å; R47-Y119 HydrophobicContact CG-CD2 4.17Å; R47-Y119 HydrophobicContact CG-CG 3.91Å; A48-Y119 HydrophobicContact CB-CE1 3.76Å; L51-Y119 HydrophobicContact CD1-CD1 3.73Å; L51-Y119 HydrophobicContact CD1-CG 4.11Å; Y119-V121 HydrophobicContact CD2-CG1 3.72Å; Y119-V121 HydrophobicContact CE2-CG1 3.54Å; Y119-F130 CarbonylContact O-C 3.55Å; Y119-F130 VanDerWaalsContact O-CA 3.26Å; Y119-F130 WeakPolarHBondContact O-CA 3.32Å; Y119-E131 HydrophobicContact CD2-CB 4.25Å; Y119-E131 HydrophobicContact CE1-CB 4.06Å; Y119-E131 HydrophobicContact CE2-CB 3.62Å; Y119-E131 HydrophobicContact CE2-CG 4.33Å; Y119-E131 VanDerWaalsContact CE2-OE2 3.24Å; Y119-E131 WeakPolarHBondContact CE2-OE2 3.42Å; Y119-E131 VanDerWaalsContact CZ-CB 3.5Å; Y119-E131 VanDerWaalsContact CZ-OE2 3.23Å; Y119-E131 PolarHBondContact N-O 2.93Å; Y119-E131 PolarHBondContact O-N 2.96Å; Y119-E131 PolarHBondContact OH-OE2 3.36Å; Y119-I133 HydrophobicContact CD1-CD1 4.31Å; Y119-I133 HydrophobicContact CE1-CD1 4.06Å; Y119-I133 HydrophobicContact CE1-CG1 4.05Å
120W98.1Very high97.5Very high54 Ų5429.9 Ų29.921%0.20518%0.179CC..EExtended strand (participates in β ladder)trans-72139174.617895.5000110.8K14 G122 E123 F130K14-W120 HydrophobicContact CD-CH2 4.31Å; K14-W120 HydrophobicContact CD-CZ3 4.1Å; W120-G122 VanDerWaalsContact CE2-C 3.45Å; W120-G122 VanDerWaalsContact CZ2-C 3.4Å; W120-G122 PolarHBondContact NE1-O 3.32Å; W120-E123 HydrophobicContact CZ2-CB 4.26Å; W120-E123 HydrophobicContact CZ2-CG 3.96Å; W120-E123 PolarHBondContact NE1-OE2 2.95Å; W120-E123 VanDerWaalsContact NE1-OE2 3.15Å; W120-F130 HydrophobicContact CB-CD1 4.16Å; W120-F130 HydrophobicContact CB-CE1 4Å
121V97.3Very high97.6Very high4 Ų429.1 Ų29.12%0.02417%0.174CC..EExtended strand (participates in β ladder)trans-122.8-23.3177.1-66.40000114.2Y30 Y119 F129 E131Y30-V121 HydrophobicContact CD2-CG2 4.41Å; Y30-V121 HydrophobicContact CE2-CB 4.37Å; Y30-V121 HydrophobicContact CE2-CG2 3.86Å; Y119-V121 HydrophobicContact CD2-CG1 3.72Å; Y119-V121 HydrophobicContact CE2-CG1 3.54Å; V121-F129 HydrophobicContact CG2-CB 3.66Å; V121-F129 WeakPolarHBondContact CG2-O 3.46Å; V121-F129 PolarHBondContact N-O 2.72Å; V121-E131 HydrophobicContact CG1-CB 3.99Å; V121-E131 HydrophobicContact CG1-CG 3.69Å; V121-E131 HydrophobicContact CG2-CG 4.33Å
122G96.5Very high97.7Very high1 Ų127.1 Ų27.11%0.0115%0.153CC..EExtended strand (participates in β ladder)trans-176.8161.7-178.800000111.3W120 F129W120-G122 VanDerWaalsContact CE2-C 3.45Å; W120-G122 VanDerWaalsContact CZ2-C 3.4Å; W120-G122 PolarHBondContact NE1-O 3.32Å; G122-F129 PolarHBondContact O-N 3.21Å
123E96.9Very high97.8Very high68 Ų6823.7 Ų23.732%0.31813%0.125SC..EExtended strand (participates in β ladder)trans-149.6154.3168.870.4-173.3-134.600110.9C27 R68 W120 F127 K128C27-E123 PolarHBondContact SG-O 2.92Å; C27-E123 VanDerWaalsContact SG-O 3.4Å; R68-E123 IonicContact CZ-OE1 2.85Å; R68-E123 IonicContact NH1-OE1 3.3Å; R68-E123 PolarHBondContact NH1-OE1 3.15Å; R68-E123 IonicContact NH1-OE2 2.68Å; R68-E123 IonicContact NH2-OE1 3.74Å; R68-E123 PolarHBondContact NH2-OE1 3.36Å; W120-E123 HydrophobicContact CZ2-CB 4.26Å; W120-E123 HydrophobicContact CZ2-CG 3.96Å; W120-E123 PolarHBondContact NE1-OE2 2.95Å; W120-E123 VanDerWaalsContact NE1-OE2 3.15Å; E123-F127 WeakPolarHBondContact CA-O 3.26Å; E123-K128 HydrophobicContact CB-CG 3.73Å; E123-K128 IonicContact OE1-NZ 3.58Å; E123-K128 WeakPolarHBondContact OE2-CE 3.43Å; E123-K128 IonicContact OE2-NZ 3.41Å; E123-K128 PolarHBondContact OE2-NZ 3.08Å
124D95.4Very high97.8Very high21 Ų2122.2 Ų22.211%0.11212%0.117CC..  trans-128.3-168.3168.865.127.1000108.9R31 R68 T126 F127R31-D124 IonicContact CZ-OD2 3.97Å; R31-D124 IonicContact NE-OD2 2.66Å; R31-D124 PolarHBondContact NE-OD2 2.69Å; R31-D124 VanDerWaalsContact NE-OD2 3.12Å; R31-D124 IonicContact NH2-OD2 3.74Å; R31-D124 PolarHBondContact NH2-OD2 2.73Å; R68-D124 WeakPolarHBondContact CD-O 3.34Å; R68-D124 PolarHBondContact NH1-O 3.16Å; D124-T126 PolarHBondContact O-N 3.04Å; D124-T126 WeakPolarHBondContact OD1-CA 3.4Å; D124-T126 PolarHBondContact OD1-N 3.32Å; D124-F127 PolarHBondContact N-O 3.1Å; D124-F127 PolarHBondContact OD1-N 3.24Å
125S95.6Very high97.8Very high101 Ų10121.2 Ų21.271%0.70611%0.113SC*.SBendtrans-61.1-32.1178.658.90000113.5
126T97.1Very high97.8Very high54 Ų5423.2 Ų23.233%0.33112%0.124SC..SBendtrans-104.6-33.6-167.1-56.60000112.7R67 R68 D124R67-T126 CarbonylContact C-O 3.53Å; R67-T126 VanDerWaalsContact CA-O 3.29Å; R67-T126 WeakPolarHBondContact CA-O 2.88Å; R68-T126 PolarHBondContact N-O 3.35Å; D124-T126 PolarHBondContact O-N 3.04Å; D124-T126 WeakPolarHBondContact OD1-CA 3.4Å; D124-T126 PolarHBondContact OD1-N 3.32Å
127F98.1Very high97.8Very high34 Ų3422.8 Ų22.815%0.14912%0.122CC..EExtended strand (participates in β ladder)trans-132149-170.1-58.8-74.8000112.5R65 I66 R67 R68 E123 D124 F129R65-F127 HydrophobicContact CB-CB 4.48Å; R65-F127 HydrophobicContact CB-CD1 4.39Å; R65-F127 HydrophobicContact CG-CD1 4.06Å; R65-F127 HydrophobicContact CG-CE1 4.34Å; I66-F127 CarbonylContact O-C 3.54Å; I66-F127 VanDerWaalsContact O-CA 3.28Å; I66-F127 WeakPolarHBondContact O-CA 3.35Å; R67-F127 HydrophobicContact CB-CD1 4.44Å; R67-F127 HydrophobicContact CB-CE1 4.48Å; R67-F127 HydrophobicContact CG-CD1 3.77Å; R67-F127 HydrophobicContact CG-CE1 3.38Å; R67-F127 HydrophobicContact CG-CZ 4.29Å; R68-F127 WeakPolarHBondContact CD-O 3.26Å; E123-F127 WeakPolarHBondContact CA-O 3.26Å; D124-F127 PolarHBondContact N-O 3.1Å; D124-F127 PolarHBondContact OD1-N 3.24Å; F127-F129 HydrophobicContact CB-CE2 4.15Å; F127-F129 HydrophobicContact CB-CZ 4.02Å
128K98.1Very high97.8Very high49 Ų4928.8 Ų28.821%0.21315%0.147CC..EExtended strand (participates in β ladder)trans-110.4136.2160.5-82172-168.3-97.10108.4I66 R68 I98 E123 F130I66-K128 PolarHBondContact N-O 3.47Å; I66-K128 PolarHBondContact O-N 3.11Å; R68-K128 HydrophobicContact CG-CB 4.34Å; R68-K128 HydrophobicContact CG-CD 4.17Å; R68-K128 HydrophobicContact CG-CG 3.74Å; I98-K128 HydrophobicContact CD1-CD 4.15Å; I98-K128 HydrophobicContact CG2-CB 4.49Å; E123-K128 HydrophobicContact CB-CG 3.73Å; E123-K128 IonicContact OE1-NZ 3.58Å; E123-K128 WeakPolarHBondContact OE2-CE 3.43Å; E123-K128 IonicContact OE2-NZ 3.41Å; E123-K128 PolarHBondContact OE2-NZ 3.08Å; K128-F130 HydrophobicContact CB-CD2 4.47Å; K128-F130 HydrophobicContact CB-CE2 3.63Å; K128-F130 HydrophobicContact CB-CZ 4.03Å; K128-F130 HydrophobicContact CD-CZ 4.35Å
129F98.4Very high97.8Very high2 Ų231.2 Ų31.21%0.00916%0.158CC..EExtended strand (participates in β ladder)trans-105.7131.3179.6-58.2-85000109.6Y30 I64 R65 V121 G122 F127Y30-F129 HydrophobicContact CD2-CB 4.09Å; Y30-F129 HydrophobicContact CD2-CD1 4.17Å; Y30-F129 HydrophobicContact CD2-CD2 4.35Å; Y30-F129 AromaticContact CD2-CG 3.96Å; Y30-F129 HydrophobicContact CD2-CG 3.96Å; Y30-F129 HydrophobicContact CG-CD1 4.39Å; I64-F129 WeakPolarHBondContact O-CA 3.36Å; R65-F129 HydrophobicContact CB-CD1 3.56Å; R65-F129 HydrophobicContact CB-CE1 3.49Å; R65-F129 VanDerWaalsContact CB-CE1 3.49Å; R65-F129 HydrophobicContact CB-CZ 4.48Å; V121-F129 HydrophobicContact CG2-CB 3.66Å; V121-F129 WeakPolarHBondContact CG2-O 3.46Å; V121-F129 PolarHBondContact N-O 2.72Å; G122-F129 PolarHBondContact O-N 3.21Å; F127-F129 HydrophobicContact CB-CE2 4.15Å; F127-F129 HydrophobicContact CB-CZ 4.02Å
130F98.6Very high97.7Very high10 Ų1037.8 Ų37.84%0.04419%0.186CC..EExtended strand (participates in β ladder)trans-126.7146.7176.8-61.3-84.4000110.2R63 I64 I98 Q99 A102 Y119 W120 K128R63-F130 CarbonylContact C-O 3.55Å; R63-F130 WeakPolarHBondContact CA-O 3.32Å; I64-F130 HydrophobicContact CG2-CB 4.13Å; I64-F130 PolarHBondContact N-O 3.37Å; I64-F130 PolarHBondContact O-N 3.48Å; I98-F130 HydrophobicContact CG2-CE2 3.88Å; I98-F130 HydrophobicContact CG2-CZ 4.42Å; Q99-F130 HydrophobicContact CB-CD1 4.14Å; Q99-F130 HydrophobicContact CB-CE1 3.63Å; Q99-F130 HydrophobicContact CB-CZ 3.86Å; Q99-F130 HydrophobicContact CG-CD1 3.77Å; Q99-F130 HydrophobicContact CG-CE1 3.72Å; Q99-F130 HydrophobicContact CG-CG 4.5Å; Q99-F130 HydrophobicContact CG-CZ 4.4Å; A102-F130 HydrophobicContact CB-CB 4.12Å; A102-F130 HydrophobicContact CB-CD2 3.68Å; A102-F130 HydrophobicContact CB-CE2 4.41Å; A102-F130 HydrophobicContact CB-CG 4.07Å; Y119-F130 CarbonylContact O-C 3.55Å; Y119-F130 VanDerWaalsContact O-CA 3.26Å; Y119-F130 WeakPolarHBondContact O-CA 3.32Å; W120-F130 HydrophobicContact CB-CD1 4.16Å; W120-F130 HydrophobicContact CB-CE1 4Å; K128-F130 HydrophobicContact CB-CD2 4.47Å; K128-F130 HydrophobicContact CB-CE2 3.63Å; K128-F130 HydrophobicContact CB-CZ 4.03Å; K128-F130 HydrophobicContact CD-CZ 4.35Å
131E98.7Very high97.7Very high0 Ų037 Ų370%019%0.191CC..EExtended strand (participates in β ladder)trans-104.5127.1164.2-78.1178.8176.900108.7S43 I61 Y62 R63 S118 Y119 V121S43-E131 VanDerWaalsContact CB-OE1 3.3Å; S43-E131 WeakPolarHBondContact CB-OE1 3.2Å; S43-E131 PolarHBondContact N-OE2 3.12Å; S43-E131 PolarHBondContact OG-OE1 3.35Å; I61-E131 HydrophobicContact CG2-CB 3.96Å; I61-E131 HydrophobicContact CG2-CG 4.06Å; Y62-E131 CarbonylContact O-C 3.51Å; Y62-E131 WeakPolarHBondContact O-CA 3.46Å; R63-E131 HydrophobicContact CB-CG 4.16Å; R63-E131 HydrophobicContact CG-CG 4.15Å; R63-E131 IonicContact CZ-OE1 3.65Å; R63-E131 IonicContact NE-OE1 3.21Å; R63-E131 PolarHBondContact NE-OE1 3.26Å; R63-E131 IonicContact NH2-OE1 3.19Å; R63-E131 PolarHBondContact NH2-OE1 3.32Å; S118-E131 CarbonylContact C-O 3.56Å; S118-E131 WeakPolarHBondContact CA-O 3.49Å; S118-E131 WeakPolarHBondContact CB-O 3.14Å; Y119-E131 HydrophobicContact CD2-CB 4.25Å; Y119-E131 HydrophobicContact CE1-CB 4.06Å; Y119-E131 HydrophobicContact CE2-CB 3.62Å; Y119-E131 HydrophobicContact CE2-CG 4.33Å; Y119-E131 VanDerWaalsContact CE2-OE2 3.24Å; Y119-E131 WeakPolarHBondContact CE2-OE2 3.42Å; Y119-E131 VanDerWaalsContact CZ-CB 3.5Å; Y119-E131 VanDerWaalsContact CZ-OE2 3.23Å; Y119-E131 PolarHBondContact N-O 2.93Å; Y119-E131 PolarHBondContact O-N 2.96Å; Y119-E131 PolarHBondContact OH-OE2 3.36Å; V121-E131 HydrophobicContact CG1-CB 3.99Å; V121-E131 HydrophobicContact CG1-CG 3.69Å; V121-E131 HydrophobicContact CG2-CG 4.33Å
132V98.6Very high97.8Very high0 Ų036.8 Ų36.80%019%0.19CC..EExtended strand (participates in β ladder)trans-107.1123.7-178.4-176.80000108.2Y62 I64 V106 I115 C134Y62-V132 PolarHBondContact N-O 2.84Å; Y62-V132 PolarHBondContact O-N 2.99Å; I64-V132 HydrophobicContact CG2-CG2 3.92Å; V106-V132 HydrophobicContact CB-CB 4.37Å; V106-V132 HydrophobicContact CB-CG1 4.28Å; V106-V132 HydrophobicContact CB-CG2 4.3Å; V106-V132 HydrophobicContact CG1-CB 4.24Å; V106-V132 HydrophobicContact CG1-CG1 4.11Å; V106-V132 HydrophobicContact CG2-CB 4.19Å; V106-V132 HydrophobicContact CG2-CG2 3.81Å; I115-V132 HydrophobicContact CD1-CG1 3.82Å; I115-V132 HydrophobicContact CG1-CG1 4.09Å; I115-V132 HydrophobicContact CG2-CG1 3.88Å; V132-C134 PolarHBondContact O-N 3.49Å
133I98.5Very high97.8Very high0 Ų043.3 Ų43.30%021%0.214CC..EExtended strand (participates in β ladder)trans-84.9113.2176.2-56.4161000107.5A48 L51 Y53 Y59 L116 N117 Y119A48-I133 HydrophobicContact CB-CD1 4.48Å; L51-I133 HydrophobicContact CB-CD1 3.92Å; Y53-I133 HydrophobicContact CD2-CG2 4.31Å; Y59-I133 HydrophobicContact CD1-CG2 3.99Å; Y59-I133 HydrophobicContact CE1-CG2 4.38Å; L116-I133 HydrophobicContact CB-CB 4.29Å; L116-I133 HydrophobicContact CB-CG2 4.09Å; L116-I133 HydrophobicContact CD2-CG2 3.96Å; L116-I133 PolarHBondContact N-O 3.37Å; N117-I133 PolarHBondContact O-N 2.91Å; Y119-I133 HydrophobicContact CD1-CD1 4.31Å; Y119-I133 HydrophobicContact CE1-CD1 4.06Å; Y119-I133 HydrophobicContact CE1-CG1 4.05Å
134C98.1Very high97.9Very high1 Ų149.4 Ų49.41%0.00723%0.234CC..EExtended strand (participates in β ladder)trans-106.3147.8176.4-57.20000109.7V60 Y62 L113 R114 V132V60-C134 HydrophobicContact CB-CB 4.42Å; V60-C134 PolarHBondContact N-O 2.88Å; V60-C134 PolarHBondContact O-N 2.55Å; V60-C134 VanDerWaalsContact O-O 3.12Å; Y62-C134 HydrophobicContact CD2-CB 4.48Å; L113-C134 HydrophobicContact CB-CB 4.18Å; L113-C134 HydrophobicContact CD1-CB 3.83Å; R114-C134 CarbonylContact O-C 3.54Å; R114-C134 WeakPolarHBondContact O-CA 3.4Å; V132-C134 PolarHBondContact O-N 3.49Å
135I98.3Very high98Very high0 Ų050 Ų500%024%0.237CC..EExtended strand (participates in β ladder)trans-124.4134.6176.8-66.7172.1000108.9G58 Y59 L113 R114 L116 P137 I142 I148 I151G58-I135 CarbonylContact O-C 3.5Å; G58-I135 WeakPolarHBondContact O-CA 3.29Å; Y59-I135 HydrophobicContact CD1-CD1 4.43Å; Y59-I135 HydrophobicContact CD1-CG1 4.04Å; Y59-I135 HydrophobicContact CE1-CD1 3.81Å; Y59-I135 HydrophobicContact CE1-CG1 3.92Å; Y59-I135 HydrophobicContact CG-CG1 4.48Å; L113-I135 WeakPolarHBondContact CA-O 3.38Å; R114-I135 PolarHBondContact N-O 3.27Å; R114-I135 PolarHBondContact O-N 3.4Å; L116-I135 HydrophobicContact CB-CD1 3.96Å; L116-I135 HydrophobicContact CB-CG1 4.44Å; L116-I135 HydrophobicContact CD1-CD1 4.1Å; L116-I135 HydrophobicContact CD2-CD1 3.98Å; L116-I135 HydrophobicContact CG-CD1 4.23Å; I135-P137 WeakPolarHBondContact O-CD 3.3Å; I135-I142 HydrophobicContact CG2-CB 4.4Å; I135-I142 HydrophobicContact CG2-CD1 4.04Å; I135-I142 HydrophobicContact CG2-CG1 3.99Å; I135-I142 HydrophobicContact CG2-CG2 3.56Å; I135-I148 HydrophobicContact CD1-CD1 3.66Å; I135-I148 HydrophobicContact CD1-CG1 3.68Å; I135-I151 HydrophobicContact CB-CD1 4.29Å; I135-I151 HydrophobicContact CB-CG2 4.48Å; I135-I151 HydrophobicContact CD1-CD1 3.71Å; I135-I151 HydrophobicContact CD1-CG2 4.29Å; I135-I151 HydrophobicContact CG1-CD1 4.46Å; I135-I151 HydrophobicContact CG2-CG2 3.91Å
136D98.2Very high98Very high44 Ų4449.4 Ų49.424%0.23523%0.231CC..  trans-80.6111.5167.1177.93.1000110.4G58 L113 F138 H139 I142G58-D136 PolarHBondContact O-N 2.84Å; L113-D136 HydrophobicContact CD2-CB 3.88Å; D136-F138 VanDerWaalsContact C-N 3.26Å; D136-F138 PolarHBondContact O-N 2.93Å; D136-F138 PolarHBondContact OD1-N 3.3Å; D136-H139 HydrophobicContact CB-CB 4.15Å; D136-H139 PolarHBondContact OD1-N 3.08Å; D136-I142 WeakPolarHBondContact O-CB 3.49Å; D136-I142 WeakPolarHBondContact O-CG1 3.4Å
137P98.2Very high98Very high2 Ų253.6 Ų53.61%0.01325%0.247CC..SBendtrans-75.4-10.3-179.233.3-36.2000114.2A112 R114 I135 R143 C152A112-P137 WeakPolarHBondContact O-CD 3.47Å; R114-P137 HydrophobicContact CG-CB 4.06Å; R114-P137 HydrophobicContact CG-CG 3.99Å; I135-P137 WeakPolarHBondContact O-CD 3.3Å; P137-R143 WeakPolarHBondContact O-CD 3.38Å; P137-R143 WeakPolarHBondContact O-CG 3.49Å; P137-C152 HydrophobicContact CB-CB 4.31Å; P137-C152 PolarHBondContact O-SG 3.23Å; P137-C152 VanDerWaalsContact O-SG 3.41Å
138F97.7Very high98Very high153 Ų15352.4 Ų52.467%0.67124%0.242SC*.SBendtrans-96.5-18.3179.8-69.5-80.7000112.9D136 K140D136-F138 VanDerWaalsContact C-N 3.26Å; D136-F138 PolarHBondContact O-N 2.93Å; D136-F138 PolarHBondContact OD1-N 3.3Å; F138-K140 PolarHBondContact O-N 3.24Å
139H98.2Very high97.9Very high54 Ų5457.2 Ų57.225%0.2526%0.259CS..  trans-62.1130.6178-158.8-80000112.6Q57 D136 A141 I142 R143Q57-H139 WeakPolarHBondContact CB-CE1 3.41Å; Q57-H139 PolarHBondContact OE1-CE1 2.84Å; D136-H139 HydrophobicContact CB-CB 4.15Å; D136-H139 PolarHBondContact OD1-N 3.08Å; H139-A141 VanDerWaalsContact C-N 3.29Å; H139-A141 WeakPolarHBondContact ND1-CB 3.49Å; H139-A141 PolarHBondContact ND1-N 3.02Å; H139-A141 PolarHBondContact O-N 3.34Å; H139-I142 HydrophobicContact CB-CB 4.49Å; H139-I142 HydrophobicContact CB-CG1 4.09Å; H139-I142 WeakPolarHBondContact O-CB 3.42Å; H139-I142 PolarHBondContact O-N 3.38Å; H139-R143 PolarHBondContact O-N 3.31Å
140K98.1Very high97.9Very high142 Ų14261.4 Ų61.462%0.61728%0.275SS*.Hα-helixtrans-55.7-41.9-178.2-67.1179.3-178174.70112.3F138 I142 R143 R144F138-K140 PolarHBondContact O-N 3.24Å; K140-I142 PolarHBondContact O-N 3.38Å; K140-R143 PolarHBondContact O-N 2.87Å; K140-R144 WeakPolarHBondContact O-CB 3.42Å; K140-R144 WeakPolarHBondContact O-CG 3.25Å; K140-R144 PolarHBondContact O-N 3.33Å
141A97.8Very high97.8Very high36 Ų3660.9 Ų60.930%0.29827%0.273SS..Hα-helixtrans-63.9-17177.300000114.9K56 H139K56-A141 PolarHBondContact NZ-O 3.07Å; H139-A141 VanDerWaalsContact C-N 3.29Å; H139-A141 WeakPolarHBondContact ND1-CB 3.49Å; H139-A141 PolarHBondContact ND1-N 3.02Å; H139-A141 PolarHBondContact O-N 3.34Å
142I98.3Very high97.8Very high0 Ų061.9 Ų61.90%028%0.279CS..Hα-helixtrans-93.4-45.9173.9-59.3-59.3000110.2Y59 I135 D136 H139 K140 R144 D145 I148 I151Y59-I142 HydrophobicContact CD2-CD1 3.64Å; Y59-I142 HydrophobicContact CE2-CD1 3.49Å; Y59-I142 VanDerWaalsContact CE2-CD1 3.49Å; I135-I142 HydrophobicContact CG2-CB 4.4Å; I135-I142 HydrophobicContact CG2-CD1 4.04Å; I135-I142 HydrophobicContact CG2-CG1 3.99Å; I135-I142 HydrophobicContact CG2-CG2 3.56Å; D136-I142 WeakPolarHBondContact O-CB 3.49Å; D136-I142 WeakPolarHBondContact O-CG1 3.4Å; H139-I142 HydrophobicContact CB-CB 4.49Å; H139-I142 HydrophobicContact CB-CG1 4.09Å; H139-I142 WeakPolarHBondContact O-CB 3.42Å; H139-I142 PolarHBondContact O-N 3.38Å; K140-I142 PolarHBondContact O-N 3.38Å; I142-R144 PolarHBondContact O-N 3.46Å; I142-D145 PolarHBondContact O-N 3.3Å; I142-I148 HydrophobicContact CD1-CG2 4.31Å; I142-I148 HydrophobicContact CG2-CG2 4Å; I142-I151 HydrophobicContact CG2-CG2 4.37Å
143R97.6Very high97.8Very high138 Ų13867.9 Ų67.952%0.52131%0.305SS..Hα-helixtrans-66-37-177.4-66-176.365.681-2.1113.3P137 H139 K140 R149P137-R143 WeakPolarHBondContact O-CD 3.38Å; P137-R143 WeakPolarHBondContact O-CG 3.49Å; H139-R143 PolarHBondContact O-N 3.31Å; K140-R143 PolarHBondContact O-N 2.87Å; R143-R149 WeakPolarHBondContact O-CB 3.31Å
144R97.4Very high97.7Very high196 Ų19671.4 Ų71.474%0.7433%0.334SS*.SBendtrans-79.8-18.2-179.7-66178.9178.6176.9-4.2113.2K140 I142 P146K140-R144 WeakPolarHBondContact O-CB 3.42Å; K140-R144 WeakPolarHBondContact O-CG 3.25Å; K140-R144 PolarHBondContact O-N 3.33Å; I142-R144 PolarHBondContact O-N 3.46Å; R144-P146 WeakPolarHBondContact O-CD 3.28Å
145D97.4Very high97.7Very high33 Ų3376.6 Ų76.618%0.17636%0.358CS..  trans-83114.8-178.5177-2.4000111.5K56 I142 Q147 I148 R149K56-D145 VanDerWaalsContact NZ-CB 3.3Å; K56-D145 IonicContact NZ-OD2 2.56Å; K56-D145 PolarHBondContact NZ-OD2 3.23Å; I142-D145 PolarHBondContact O-N 3.3Å; D145-Q147 PolarHBondContact O-N 2.9Å; D145-Q147 VanDerWaalsContact OD1-CB 3.32Å; D145-Q147 WeakPolarHBondContact OD1-CB 3.47Å; D145-Q147 PolarHBondContact OD1-N 3.32Å; D145-I148 HydrophobicContact CB-CG2 3.96Å; D145-I148 PolarHBondContact O-N 3.4Å; D145-R149 WeakPolarHBondContact O-CB 3.28Å; D145-R149 WeakPolarHBondContact O-CG 3.37Å; D145-R149 PolarHBondContact O-N 3.2Å
146P97.1Very high97.7Very high90 Ų9078 Ų7858%0.58436%0.364SS*.THydrogen-bonded Turntrans-61.3-26.5-179.626.2-34.4000114R144 I148R144-P146 WeakPolarHBondContact O-CD 3.28Å; P146-I148 PolarHBondContact O-N 3.21Å
147Q96.5Very high97.7Very high141 Ų14181.7 Ų81.766%0.65938%0.379SS*.THydrogen-bonded Turntrans-72-29-177.6-60.1-170.6-25.700113.1D145 W150D145-Q147 PolarHBondContact O-N 2.9Å; D145-Q147 VanDerWaalsContact OD1-CB 3.32Å; D145-Q147 WeakPolarHBondContact OD1-CB 3.47Å; D145-Q147 PolarHBondContact OD1-N 3.32Å; Q147-W150 PolarHBondContact O-NE1 3.1Å
148I97.3Very high97.7Very high10 Ų1084.8 Ų84.85%0.05139%0.393CS..THydrogen-bonded Turntrans-121.8-16.9-174.3-162.164000114.1Y59 L116 I135 I142 D145 P146 W150 I151Y59-I148 WeakPolarHBondContact OH-CG1 3.21Å; L116-I148 HydrophobicContact CD1-CD1 4.18Å; I135-I148 HydrophobicContact CD1-CD1 3.66Å; I135-I148 HydrophobicContact CD1-CG1 3.68Å; I142-I148 HydrophobicContact CD1-CG2 4.31Å; I142-I148 HydrophobicContact CG2-CG2 4Å; D145-I148 HydrophobicContact CB-CG2 3.96Å; D145-I148 PolarHBondContact O-N 3.4Å; P146-I148 PolarHBondContact O-N 3.21Å; I148-W150 HydrophobicContact CD1-CZ2 4.17Å; I148-W150 PolarHBondContact O-N 3.44Å; I148-I151 HydrophobicContact CG1-CG2 4.14Å; I148-I151 WeakPolarHBondContact O-CG2 3.47Å; I148-I151 PolarHBondContact O-N 3.19Å
149R96.9Very high97.7Very high150 Ų15078.9 Ų78.957%0.56637%0.366SS*.G310 helixtrans-53-22.9-176.867.8179.3-178.1176.11114.5R143 D145 I151 C152R143-R149 WeakPolarHBondContact O-CB 3.31Å; D145-R149 WeakPolarHBondContact O-CB 3.28Å; D145-R149 WeakPolarHBondContact O-CG 3.37Å; D145-R149 PolarHBondContact O-N 3.2Å; R149-I151 PolarHBondContact O-N 3.01Å; R149-I151 VanDerWaalsContact O-N 3.14Å; R149-C152 VanDerWaalsContact O-CB 3.3Å; R149-C152 WeakPolarHBondContact O-CB 3.22Å; R149-C152 PolarHBondContact O-N 2.78Å
150W98Very high97.7Very high89 Ų8976.6 Ų76.634%0.33736%0.355SS..G310 helixtrans-52-34.1173.566.5-96.2000112.6L116 Q147 I148 C152 K153 Q156L116-W150 HydrophobicContact CD1-CH2 4.11Å; L116-W150 HydrophobicContact CD1-CZ2 3.9Å; Q147-W150 PolarHBondContact O-NE1 3.1Å; I148-W150 HydrophobicContact CD1-CZ2 4.17Å; I148-W150 PolarHBondContact O-N 3.44Å; W150-C152 PolarHBondContact O-N 3.14Å; W150-K153 WeakPolarHBondContact O-CG 3.38Å; W150-K153 PolarHBondContact O-N 3.21Å; W150-Q156 HydrophobicContact CE3-CG 4.18Å; W150-Q156 HydrophobicContact CZ3-CG 4.38Å; W150-Q156 WeakPolarHBondContact O-CG 3.16Å
151I97.8Very high97.6Very high0 Ų073 Ų730%034%0.342CS..G310 helixtrans-69.2-18.1-179.3-153.6173000112.9R114 L116 I135 I142 I148 R149 K153 Q156R114-I151 HydrophobicContact CB-CD1 3.7Å; R114-I151 HydrophobicContact CB-CG1 3.81Å; R114-I151 HydrophobicContact CG-CG1 4.29Å; R114-I151 PolarHBondContact NH1-O 3.32Å; L116-I151 HydrophobicContact CB-CD1 4.46Å; L116-I151 HydrophobicContact CD1-CD1 4.12Å; I135-I151 HydrophobicContact CB-CD1 4.29Å; I135-I151 HydrophobicContact CB-CG2 4.48Å; I135-I151 HydrophobicContact CD1-CD1 3.71Å; I135-I151 HydrophobicContact CD1-CG2 4.29Å; I135-I151 HydrophobicContact CG1-CD1 4.46Å; I135-I151 HydrophobicContact CG2-CG2 3.91Å; I142-I151 HydrophobicContact CG2-CG2 4.37Å; I148-I151 HydrophobicContact CG1-CG2 4.14Å; I148-I151 WeakPolarHBondContact O-CG2 3.47Å; I148-I151 PolarHBondContact O-N 3.19Å; R149-I151 PolarHBondContact O-N 3.01Å; R149-I151 VanDerWaalsContact O-N 3.14Å; I151-K153 VanDerWaalsContact C-N 3.32Å; I151-Q156 WeakPolarHBondContact O-CB 3.36Å
152C97.8Very high97.6Very high20 Ų2076.6 Ų76.614%0.13535%0.347CS..G310 helixtrans-76.2-20.6-179.9-58.20000112.5P137 R149 W150P137-C152 HydrophobicContact CB-CB 4.31Å; P137-C152 PolarHBondContact O-SG 3.23Å; P137-C152 VanDerWaalsContact O-SG 3.41Å; R149-C152 VanDerWaalsContact O-CB 3.3Å; R149-C152 WeakPolarHBondContact O-CB 3.22Å; R149-C152 PolarHBondContact O-N 2.78Å; W150-C152 PolarHBondContact O-N 3.14Å
153K97.9Very high97.5Very high127 Ų12777.1 Ų77.155%0.55235%0.353SS*.SBendtrans-57.6150.4-178.5-64.2-175.2179.3-175.10111.6R114 W150 I151 H155 Q156R114-K153 PolarHBondContact NH1-O 3.39Å; W150-K153 WeakPolarHBondContact O-CG 3.38Å; W150-K153 PolarHBondContact O-N 3.21Å; I151-K153 VanDerWaalsContact C-N 3.32Å; K153-H155 VanDerWaalsContact CD-CE1 3.47Å; K153-H155 WeakPolarHBondContact CD-CE1 3.27Å; K153-H155 PolarHBondContact O-N 3.31Å; K153-Q156 HydrophobicContact CB-CG 4.34Å; K153-Q156 WeakPolarHBondContact O-CB 3.5Å; K153-Q156 PolarHBondContact O-N 3.02Å; K153-Q156 VanDerWaalsContact O-N 3.08Å
154A97.7Very high97.5Very high73 Ų7373.5 Ų73.560%0.60334%0.344SS*.G310 helixtrans-61.2-40.3-175.600000113.1Q156 K157A154-Q156 PolarHBondContact O-N 3.4Å; A154-K157 WeakPolarHBondContact O-CB 3.36Å; A154-K157 VanDerWaalsContact O-CG 3.25Å; A154-K157 WeakPolarHBondContact O-CG 3.33Å; A154-K157 PolarHBondContact O-N 3.44Å; A154-K157 VanDerWaalsContact O-N 3.07Å
155H97.3Very high97.5Very high110 Ų11064.2 Ų64.251%0.50931%0.309SS..G310 helixtrans-67.7-6178.268.5-98.9000114K153 R162K153-H155 VanDerWaalsContact CD-CE1 3.47Å; K153-H155 WeakPolarHBondContact CD-CE1 3.27Å; K153-H155 PolarHBondContact O-N 3.31Å; H155-R162 PolarHBondContact O-NH1 2.85Å; H155-R162 VanDerWaalsContact O-NH1 3.15Å; H155-R162 PolarHBondContact O-NH2 3.43Å
156Q97.9Very high97.5Very high29 Ų2965.3 Ų65.314%0.13632%0.319CS..G310 helixtrans-945.5174.3-59.6-64.8-20.800112.8W150 I151 K153 A154 R159W150-Q156 HydrophobicContact CE3-CG 4.18Å; W150-Q156 HydrophobicContact CZ3-CG 4.38Å; W150-Q156 WeakPolarHBondContact O-CG 3.16Å; I151-Q156 WeakPolarHBondContact O-CB 3.36Å; K153-Q156 HydrophobicContact CB-CG 4.34Å; K153-Q156 WeakPolarHBondContact O-CB 3.5Å; K153-Q156 PolarHBondContact O-N 3.02Å; K153-Q156 VanDerWaalsContact O-N 3.08Å; A154-Q156 PolarHBondContact O-N 3.4Å; Q156-R159 WeakPolarHBondContact O-CG 3.4Å
157K98.1Very high97.5Very high122 Ų12261 Ų6153%0.5329%0.292SS..THydrogen-bonded Turntrans-63.6136.5170.3-71.8176.7179.4-174.10110.8A154 R159 R162A154-K157 WeakPolarHBondContact O-CB 3.36Å; A154-K157 VanDerWaalsContact O-CG 3.25Å; A154-K157 WeakPolarHBondContact O-CG 3.33Å; A154-K157 PolarHBondContact O-N 3.44Å; A154-K157 VanDerWaalsContact O-N 3.07Å; K157-R159 PolarHBondContact O-N 3.02Å; K157-R162 VanDerWaalsContact O-CZ 3.3Å; K157-R162 PolarHBondContact O-NE 3.43Å; K157-R162 PolarHBondContact O-NH2 3.01Å
158H98Very high97.5Very high68 Ų6854.4 Ų54.432%0.31526%0.261SS..THydrogen-bonded Turntrans46.856.2175.7-61.9-58.3000115.4E160 M161 R162H158-E160 VanDerWaalsContact C-N 3.28Å; H158-E160 WeakPolarHBondContact CA-OE1 3.43Å; H158-E160 WeakPolarHBondContact CA-OE2 3.46Å; H158-E160 IonicContact CG-OE1 3.65Å; H158-E160 IonicContact ND1-OE1 2.92Å; H158-E160 PolarHBondContact ND1-OE1 3.34Å; H158-E160 PolarHBondContact O-N 3.45Å; H158-M161 HydrophobicContact CB-CB 4.11Å; H158-M161 HydrophobicContact CB-CG 4.01Å; H158-M161 HydrophobicContact CB-SD 3.98Å; H158-M161 WeakPolarHBondContact ND1-CE 3.24Å; H158-M161 PolarHBondContact O-N 3.04Å; H158-R162 PolarHBondContact O-N 3.06Å; H158-R162 PolarHBondContact O-NE 3.49Å
159R98.4Very high97.4Very high28 Ų2856 Ų5611%0.10627%0.273CS..THydrogen-bonded Turntrans-63.5-36.6176.5-69.4169.572.4-135.3-2.8111.6I115 L116 Q156 K157 M161 R162 G163 L164 T165I115-R159 PolarHBondContact O-NH1 2.9Å; L116-R159 PolarHBondContact O-NH1 3.42Å; Q156-R159 WeakPolarHBondContact O-CG 3.4Å; K157-R159 PolarHBondContact O-N 3.02Å; R159-M161 VanDerWaalsContact C-N 3.32Å; R159-M161 PolarHBondContact O-N 3.19Å; R159-R162 PolarHBondContact O-N 3.32Å; R159-G163 PolarHBondContact O-N 2.98Å; R159-G163 VanDerWaalsContact O-N 3.12Å; R159-L164 HydrophobicContact CB-CB 4.01Å; R159-L164 HydrophobicContact CG-CB 4.35Å; R159-L164 PolarHBondContact NH2-O 3.39Å; R159-L164 PolarHBondContact O-N 3.1Å; R159-T165 HydrophobicContact CB-CG2 4.21Å
160E97.8Very high97.4Very high6 Ų656.1 Ų56.13%0.02828%0.278CS..THydrogen-bonded Turntrans-62-36.5177.571.4-70.3165.800112.4E103 I115 H158 T165E103-E160 HydrophobicContact CB-CB 3.95Å; I115-E160 HydrophobicContact CB-CB 4.43Å; I115-E160 HydrophobicContact CD1-CB 4.01Å; I115-E160 HydrophobicContact CD1-CG 3.85Å; H158-E160 VanDerWaalsContact C-N 3.28Å; H158-E160 WeakPolarHBondContact CA-OE1 3.43Å; H158-E160 WeakPolarHBondContact CA-OE2 3.46Å; H158-E160 IonicContact CG-OE1 3.65Å; H158-E160 IonicContact ND1-OE1 2.92Å; H158-E160 PolarHBondContact ND1-OE1 3.34Å; H158-E160 PolarHBondContact O-N 3.45Å; E160-T165 HydrophobicContact CB-CG2 4.22Å
161M97.6Very high97.3Very high66 Ų6654.2 Ų54.233%0.32528%0.278SS..THydrogen-bonded Turntrans-77.8-24.5-180-58.3-172.6-170.600112.4E104 R108 H158 R159E104-M161 HydrophobicContact CG-CG 4.37Å; R108-M161 HydrophobicContact CB-CE 4.44Å; R108-M161 HydrophobicContact CG-CE 3.46Å; R108-M161 VanDerWaalsContact CG-CE 3.46Å; H158-M161 HydrophobicContact CB-CB 4.11Å; H158-M161 HydrophobicContact CB-CG 4.01Å; H158-M161 HydrophobicContact CB-SD 3.98Å; H158-M161 WeakPolarHBondContact ND1-CE 3.24Å; H158-M161 PolarHBondContact O-N 3.04Å; R159-M161 VanDerWaalsContact C-N 3.32Å; R159-M161 PolarHBondContact O-N 3.19Å
162R97.1Very high97.2Very high112 Ų11258.3 Ų58.342%0.42329%0.293SS..THydrogen-bonded Turntrans-97.92.1179.1-63.6178.2-65.9137.91.6113.6H155 K157 H158 R159 L164H155-R162 PolarHBondContact O-NH1 2.85Å; H155-R162 VanDerWaalsContact O-NH1 3.15Å; H155-R162 PolarHBondContact O-NH2 3.43Å; K157-R162 VanDerWaalsContact O-CZ 3.3Å; K157-R162 PolarHBondContact O-NE 3.43Å; K157-R162 PolarHBondContact O-NH2 3.01Å; H158-R162 PolarHBondContact O-N 3.06Å; H158-R162 PolarHBondContact O-NE 3.49Å; R159-R162 PolarHBondContact O-N 3.32Å; R162-L164 HydrophobicContact CB-CD1 4.23Å; R162-L164 HydrophobicContact CB-CG 4.06Å; R162-L164 VanDerWaalsContact CZ-CD1 3.46Å; R162-L164 VanDerWaalsContact NH1-CD1 3.32Å
163G96.3Very high97.1Very high12 Ų1259 Ų5912%0.12430%0.304CS..THydrogen-bonded Turntrans65.538.8-178.900000113.6R159 S169 R172R159-G163 PolarHBondContact O-N 2.98Å; R159-G163 VanDerWaalsContact O-N 3.12Å; G163-S169 PolarHBondContact O-N 3.38Å; G163-R172 VanDerWaalsContact O-CD 3.29Å; G163-R172 WeakPolarHBondContact O-CD 3.32Å
164L97.6Very high97Very high62 Ų6256.3 Ų56.333%0.32530%0.295SS..  trans-103.1-2.7179.1-59.4-179.3000113.8R159 R162 R172R159-L164 HydrophobicContact CB-CB 4.01Å; R159-L164 HydrophobicContact CG-CB 4.35Å; R159-L164 PolarHBondContact NH2-O 3.39Å; R159-L164 PolarHBondContact O-N 3.1Å; R162-L164 HydrophobicContact CB-CD1 4.23Å; R162-L164 HydrophobicContact CB-CG 4.06Å; R162-L164 VanDerWaalsContact CZ-CD1 3.46Å; R162-L164 VanDerWaalsContact NH1-CD1 3.32Å; L164-R172 VanDerWaalsContact CD2-NH1 3.33Å
165T98Very high97Very high1 Ų154.9 Ų54.91%0.00629%0.287CS..SBendtrans-77.7164.9168.157.80000110.5E103 I115 R159 E160 A167 G168 S169E103-T165 WeakPolarHBondContact OE2-CB 3.42Å; E103-T165 PolarHBondContact OE2-OG1 2.67Å; I115-T165 HydrophobicContact CG2-CG2 3.94Å; R159-T165 HydrophobicContact CB-CG2 4.21Å; E160-T165 HydrophobicContact CB-CG2 4.22Å; T165-A167 VanDerWaalsContact C-N 3.27Å; T165-A167 PolarHBondContact O-N 2.99Å; T165-G168 PolarHBondContact O-N 3.28Å; T165-G168 PolarHBondContact OG1-N 3Å; T165-G168 VanDerWaalsContact OG1-N 3.16Å; T165-S169 WeakPolarHBondContact O-CB 3.49Å; T165-S169 PolarHBondContact O-N 3.31Å; T165-S169 PolarHBondContact O-OG 3.26Å
166S96.8Very high97Very high55 Ų5559.2 Ų59.239%0.38531%0.305SS..Hα-helixtrans-60.4-35.6177.5-176.30000112.9N117 S169 K170N117-S166 VanDerWaalsContact OD1-CB 3.25Å; N117-S166 WeakPolarHBondContact OD1-CB 3.05Å; N117-S166 PolarHBondContact OD1-N 3.25Å; S166-S169 PolarHBondContact O-OG 3.46Å; S166-K170 WeakPolarHBondContact O-CG 3.2Å
167A97.4Very high96.9Very high1 Ų160.5 Ų60.51%0.00833%0.326CS..Hα-helixtrans-75-38.8177.200000112.3Q99 A100 T165Q99-A167 HydrophobicContact CB-CB 4.09Å; Q99-A167 HydrophobicContact CG-CB 3.7Å; A100-A167 HydrophobicContact CB-CB 4.34Å; T165-A167 VanDerWaalsContact C-N 3.27Å; T165-A167 PolarHBondContact O-N 2.99Å
168G95.9Very high96.8Very high2 Ų262.1 Ų62.12%0.02134%0.335CS..Hα-helixtrans-68.4-41.4177.900000112.9T165 K170 S171T165-G168 PolarHBondContact O-N 3.28Å; T165-G168 PolarHBondContact OG1-N 3Å; T165-G168 VanDerWaalsContact OG1-N 3.16Å; G168-K170 VanDerWaalsContact C-N 3.29Å; G168-K170 PolarHBondContact O-N 3.09Å; G168-S171 PolarHBondContact O-N 3.06Å; G168-S171 VanDerWaalsContact O-N 3.14Å; G168-S171 PolarHBondContact O-OG 3.14Å
169S96.3Very high96.8Very high42 Ų4266.8 Ų66.829%0.29436%0.355SS..Hα-helixtrans-63.4-33.7-177.567.20000112.9G163 T165 S166 S171 R172G163-S169 PolarHBondContact O-N 3.38Å; T165-S169 WeakPolarHBondContact O-CB 3.49Å; T165-S169 PolarHBondContact O-N 3.31Å; T165-S169 PolarHBondContact O-OG 3.26Å; S166-S169 PolarHBondContact O-OG 3.46Å; S169-S171 VanDerWaalsContact C-N 3.28Å; S169-S171 PolarHBondContact O-N 2.69Å; S169-R172 WeakPolarHBondContact O-CB 3.29Å; S169-R172 PolarHBondContact O-N 2.81Å
170K96.1Very high96.8Very high154 Ų15469 Ų6967%0.6737%0.365SS*.Hα-helixtrans-58.1-37.8175.1-71.7176.4-177.9-174.20113S166 G168 R172 G173S166-K170 WeakPolarHBondContact O-CG 3.2Å; G168-K170 VanDerWaalsContact C-N 3.29Å; G168-K170 PolarHBondContact O-N 3.09Å; K170-R172 PolarHBondContact O-N 2.67Å; K170-G173 PolarHBondContact O-N 2.98Å
171S95.1Very high96.7Very high48 Ų4874.1 Ų74.134%0.33639%0.389SS..Hα-helixtrans-70.2-18.2177.767.80000113.7G168 S169 G173G168-S171 PolarHBondContact O-N 3.06Å; G168-S171 VanDerWaalsContact O-N 3.14Å; G168-S171 PolarHBondContact O-OG 3.14Å; S169-S171 VanDerWaalsContact C-N 3.28Å; S169-S171 PolarHBondContact O-N 2.69Å; S171-G173 VanDerWaalsContact C-N 3.3Å; S171-G173 PolarHBondContact O-N 3.07Å
172R96.9Very high96.7Very high86 Ų8676.9 Ų76.933%0.32540%0.399SS..THydrogen-bonded Turntrans-79.2-11-178.4-65.8174.955.8-177.4-3.9113.4G163 L164 S169 K170 L174 G186G163-R172 VanDerWaalsContact O-CD 3.29Å; G163-R172 WeakPolarHBondContact O-CD 3.32Å; L164-R172 VanDerWaalsContact CD2-NH1 3.33Å; S169-R172 WeakPolarHBondContact O-CB 3.29Å; S169-R172 PolarHBondContact O-N 2.81Å; K170-R172 PolarHBondContact O-N 2.67Å; R172-L174 VanDerWaalsContact C-N 3.31Å; R172-L174 HydrophobicContact CB-CD1 4.25Å; R172-L174 HydrophobicContact CB-CD2 4.37Å; R172-L174 HydrophobicContact CB-CG 3.86Å; R172-L174 PolarHBondContact O-N 2.79Å; R172-G186 PolarHBondContact NH2-O 3.33Å; R172-G186 VanDerWaalsContact NH2-O 3.11Å
173G95.2Very high96.7Very high35 Ų3572.1 Ų72.136%0.36138%0.383SS..THydrogen-bonded Turntrans6336.4-179.600000113.2K170 S171 T183K170-G173 PolarHBondContact O-N 2.98Å; S171-G173 VanDerWaalsContact C-N 3.3Å; S171-G173 PolarHBondContact O-N 3.07Å; G173-T183 WeakPolarHBondContact O-CG2 3.41Å; G173-T183 PolarHBondContact O-OG1 2.78Å
174L96.4Very high96.8Very high70 Ų7076.2 Ų76.237%0.36640%0.401SS..  trans-80.4145.8175.6-56.1176.5000110.1R172 T183 G186R172-L174 VanDerWaalsContact C-N 3.31Å; R172-L174 HydrophobicContact CB-CD1 4.25Å; R172-L174 HydrophobicContact CB-CD2 4.37Å; R172-L174 HydrophobicContact CB-CG 3.86Å; R172-L174 PolarHBondContact O-N 2.79Å; L174-T183 HydrophobicContact CD2-CG2 4.31Å; L174-G186 WeakPolarHBondContact CD2-O 3.01Å
175G96.5Very high96.7Very high43 Ų4376.3 Ų76.344%0.44342%0.416SS..  trans176.5-172.5175.800000111.5F180G175-F180 VanDerWaalsContact CA-CG 3.44Å
176K96.9Very high96.6Very high201 Ų20178.3 Ų78.387%0.87444%0.437SS*.SBendtrans-120.4146.8178.5-64.6-173.8177.6-1740110.3F180K176-F180 WeakPolarHBondContact O-CD2 3.46Å
177G96Very high96.6Very high57 Ų5777.6 Ų77.659%0.58843%0.432SS*.SBendtrans93.4-179.8177.800000114.5K179 F180G177-K179 PolarHBondContact O-N 2.68Å; G177-K179 VanDerWaalsContact O-N 3.08Å; G177-F180 PolarHBondContact O-N 2.85Å
178H96.9Very high96.6Very high156 Ų15685.4 Ų85.472%0.72246%0.461SS*.G310 helixtrans-55.3-31.2-169.864.1-92.3000114.3F180 H181H178-F180 PolarHBondContact O-N 2.71Å; H178-H181 PolarHBondContact O-ND1 3.15Å
179K97.8Very high96.7Very high165 Ų16594.9 Ų94.972%0.71750%0.496SS*.G310 helixtrans-67.5-17179.4-59.6-172.4178.7177.60114G177G177-K179 PolarHBondContact O-N 2.68Å; G177-K179 VanDerWaalsContact O-N 3.08Å
180F97.5Very high96.7Very high75 Ų7594.7 Ų94.733%0.32950%0.498SS..G310 helixtrans-11523.2-173.7-56.7-84.2000113.3G175 K176 G177 H178 K182 T183G175-F180 VanDerWaalsContact CA-CG 3.44Å; K176-F180 WeakPolarHBondContact O-CD2 3.46Å; G177-F180 PolarHBondContact O-N 2.85Å; H178-F180 PolarHBondContact O-N 2.71Å; F180-K182 PolarHBondContact O-N 3.3Å; F180-T183 PolarHBondContact O-N 2.62Å; F180-T183 VanDerWaalsContact O-N 3.09Å; F180-T183 PolarHBondContact O-OG1 3.04Å
181H97.1Very high96.8Very high114 Ų11487.6 Ų87.653%0.52847%0.467SS..G310 helixtrans-55.8-30.2-179.962.9-118.4000113.3H178 T183 I184H178-H181 PolarHBondContact O-ND1 3.15Å; H181-T183 PolarHBondContact O-N 3.41Å; H181-I184 HydrophobicContact CB-CD1 4.07Å; H181-I184 WeakPolarHBondContact O-CG1 3.45Å; H181-I184 PolarHBondContact O-N 3.19Å
182K97Very high97Very high124 Ų12492.7 Ų92.754%0.53948%0.479SS..G310 helixtrans-66.3-10.5-178.1-60.4-169.8178.5-179.10113.4F180 R188 A191F180-K182 PolarHBondContact O-N 3.3Å; K182-R188 VanDerWaalsContact O-CA 3.27Å; K182-R188 WeakPolarHBondContact O-CA 3.44Å; K182-A191 WeakPolarHBondContact O-CB 3.45Å
183T97.8Very high97Very high12 Ų1295.3 Ų95.37%0.07449%0.493CS..G310 helixtrans-125.413.6-178.356.10000113.5G173 L174 F180 H181 G185 G186 R188G173-T183 WeakPolarHBondContact O-CG2 3.41Å; G173-T183 PolarHBondContact O-OG1 2.78Å; L174-T183 HydrophobicContact CD2-CG2 4.31Å; F180-T183 PolarHBondContact O-N 2.62Å; F180-T183 VanDerWaalsContact O-N 3.09Å; F180-T183 PolarHBondContact O-OG1 3.04Å; H181-T183 PolarHBondContact O-N 3.41Å; T183-G185 PolarHBondContact O-N 3.23Å; T183-G186 PolarHBondContact O-N 3.06Å; T183-R188 HydrophobicContact CG2-CB 4.36Å
184I96.8Very high97.1Very high98 Ų98100.4 Ų100.450%0.50350%0.501SS..THydrogen-bonded Turntrans-58.8124.2172.1-65.8171.2000109.3H181 A191H181-I184 HydrophobicContact CB-CD1 4.07Å; H181-I184 WeakPolarHBondContact O-CG1 3.45Å; H181-I184 PolarHBondContact O-N 3.19Å; I184-A191 WeakPolarHBondContact O-CA 3.34Å; I184-A191 VanDerWaalsContact O-CB 3.24Å; I184-A191 WeakPolarHBondContact O-CB 3.47Å
185G95.9Very high97.1Very high63 Ų63102.8 Ų102.865%0.64951%0.514SS*.THydrogen-bonded Turntrans96.26.9-17000000114.5T183T183-G185 PolarHBondContact O-N 3.23Å
186G95.9Very high97.2Very high43 Ų43105.4 Ų105.444%0.44352%0.518SS..SBendtrans104-17.616500000116.1R172 L174 T183R172-G186 PolarHBondContact NH2-O 3.33Å; R172-G186 VanDerWaalsContact NH2-O 3.11Å; L174-G186 WeakPolarHBondContact CD2-O 3.01Å; T183-G186 PolarHBondContact O-N 3.06Å
187S97.5Very high97.2Very high40 Ų4099.5 Ų99.528%0.2850%0.499SS..SBendtrans-157.1163.4172.273.20000111.8R189 A190 A191S187-R189 VanDerWaalsContact C-N 3.32Å; S187-R189 PolarHBondContact O-N 3.24Å; S187-A190 PolarHBondContact O-N 3.01Å; S187-A190 VanDerWaalsContact OG-CB 3.3Å; S187-A190 WeakPolarHBondContact OG-CB 3.38Å; S187-A190 PolarHBondContact OG-N 3.24Å; S187-A190 VanDerWaalsContact OG-N 3.1Å; S187-A191 PolarHBondContact O-N 3.08Å
188R97.1Very high97.2Very high166 Ų166102.1 Ų102.163%0.62650%0.503SS*.Hα-helixtrans-59.5-41.2176.9-177.2-179.9-84.1163.9-6.5112.9K182 T183 W192K182-R188 VanDerWaalsContact O-CA 3.27Å; K182-R188 WeakPolarHBondContact O-CA 3.44Å; T183-R188 HydrophobicContact CG2-CB 4.36Å; R188-W192 WeakPolarHBondContact O-CB 3.38Å; R188-W192 PolarHBondContact O-N 3.17Å
189R97.5Very high97.1Very high200 Ų200101.9 Ų101.976%0.75550%0.502SS*.Hα-helixtrans-69.4-38.5177.7-173.3176.2179.4106.9-1.9112S187 W192 K193S187-R189 VanDerWaalsContact C-N 3.32Å; S187-R189 PolarHBondContact O-N 3.24Å; R189-W192 PolarHBondContact O-N 3.46Å; R189-K193 WeakPolarHBondContact O-CB 3.39Å; R189-K193 PolarHBondContact O-N 3.47Å
190A97.8Very high96.9Very high39 Ų39100.5 Ų100.532%0.32250%0.5SS..Hα-helixtrans-63.8-45.2176.500000111.5S187 K193 R194S187-A190 PolarHBondContact O-N 3.01Å; S187-A190 VanDerWaalsContact OG-CB 3.3Å; S187-A190 WeakPolarHBondContact OG-CB 3.38Å; S187-A190 PolarHBondContact OG-N 3.24Å; S187-A190 VanDerWaalsContact OG-N 3.1Å; A190-K193 PolarHBondContact O-N 3Å; A190-R194 PolarHBondContact O-N 3.4Å
191A97.9Very high96.8Very high4 Ų4105.6 Ų105.63%0.03352%0.517CS..Hα-helixtrans-58.9-49.7174.500000111.5K182 I184 S187 R194 L195K182-A191 WeakPolarHBondContact O-CB 3.45Å; I184-A191 WeakPolarHBondContact O-CA 3.34Å; I184-A191 VanDerWaalsContact O-CB 3.24Å; I184-A191 WeakPolarHBondContact O-CB 3.47Å; S187-A191 PolarHBondContact O-N 3.08Å; A191-R194 PolarHBondContact O-N 3.27Å; A191-L195 WeakPolarHBondContact O-CG 3.41Å; A191-L195 PolarHBondContact O-N 3.43Å; A191-L195 VanDerWaalsContact O-N 3.1Å
192W98.1Very high96.6Very high156 Ų156112.3 Ų112.359%0.59154%0.538SS*.Hα-helixtrans-60.6-47.1178.6-179.584.6000111.9R188 R189 R194 L195 N196R188-W192 WeakPolarHBondContact O-CB 3.38Å; R188-W192 PolarHBondContact O-N 3.17Å; R189-W192 PolarHBondContact O-N 3.46Å; W192-R194 PolarHBondContact O-N 2.82Å; W192-L195 PolarHBondContact O-N 3.19Å; W192-N196 VanDerWaalsContact CD1-ND2 3.31Å; W192-N196 HydrophobicContact CZ2-CB 4.41Å; W192-N196 PolarHBondContact NE1-ND2 3.06Å; W192-N196 PolarHBondContact O-N 3.43Å; W192-N196 PolarHBondContact O-ND2 2.72Å
193K98.1Very high96.2Very high141 Ų141115.2 Ų115.261%0.61355%0.55SS**Hα-helixtrans-58.2-48.7178.8-174.3177.1174.81790110.8R189 A190 L195 N196 T197R189-K193 WeakPolarHBondContact O-CB 3.39Å; R189-K193 PolarHBondContact O-N 3.47Å; A190-K193 PolarHBondContact O-N 3Å; K193-L195 VanDerWaalsContact C-N 3.29Å; K193-L195 PolarHBondContact O-N 2.88Å; K193-N196 PolarHBondContact O-N 3.32Å; K193-T197 PolarHBondContact O-N 2.96Å; K193-T197 PolarHBondContact O-OG1 3.28Å
194R97.2Very high95.4Very high141 Ų141126.6 Ų126.653%0.53259%0.592SS.*Hα-helixtrans-57.7-40.5178.3-176.6-179.860.678.72.3112.6A190 A191 W192A190-R194 PolarHBondContact O-N 3.4Å; A191-R194 PolarHBondContact O-N 3.27Å; W192-R194 PolarHBondContact O-N 2.82Å
195L97Very high95.3Very high120 Ų120128.1 Ų128.163%0.62860%0.596SS**Hα-helixtrans-77.1-19.6-178.4-67.9172.2000114A191 W192 K193A191-L195 WeakPolarHBondContact O-CG 3.41Å; A191-L195 PolarHBondContact O-N 3.43Å; A191-L195 VanDerWaalsContact O-N 3.1Å; W192-L195 PolarHBondContact O-N 3.19Å; K193-L195 VanDerWaalsContact C-N 3.29Å; K193-L195 PolarHBondContact O-N 2.88Å
196N97.7Very high95.3Very high98 Ų98131.5 Ų131.552%0.52459%0.594SS.*Hα-helixtrans-109.47.7-178.4-66.9-94.7000112.4W192 K193W192-N196 VanDerWaalsContact CD1-ND2 3.31Å; W192-N196 HydrophobicContact CZ2-CB 4.41Å; W192-N196 PolarHBondContact NE1-ND2 3.06Å; W192-N196 PolarHBondContact O-N 3.43Å; W192-N196 PolarHBondContact O-ND2 2.72Å; K193-N196 PolarHBondContact O-N 3.32Å
197T97.2Very high95.3Very high77 Ų77136.4 Ų136.447%0.47260%0.602SS.*  trans-93.4121.7170.6-61.10000108.6K193K193-T197 PolarHBondContact O-N 2.96Å; K193-T197 PolarHBondContact O-OG1 3.28Å
198V96.1Very high95.1Very high113 Ų113142.1 Ų142.169%0.68562%0.621SS**  trans-83119.3169.1179.30000108.5M200V198-M200 HydrophobicContact CG1-CE 4.22Å; V198-M200 HydrophobicContact CG1-CG 4.17Å; V198-M200 PolarHBondContact O-N 2.86Å
199E94.7Very high95Very high151 Ų151140.6 Ų140.671%0.70662%0.621SS**  trans-82.8105.3175.2-68.3-170.817600110.4R201E199-R201 PolarHBondContact O-N 3.12Å
200M94.1Very high94.8Very high135 Ų135136.6 Ų136.667%0.66561%0.612SS**  trans-94.692.2174.5-60.6-168.3-173.100109.9V198 R204V198-M200 HydrophobicContact CG1-CE 4.22Å; V198-M200 HydrophobicContact CG1-CG 4.17Å; V198-M200 PolarHBondContact O-N 2.86Å; M200-R204 VanDerWaalsContact CG-NH2 3.27Å; M200-R204 PolarHBondContact SD-NH2 3.07Å
201R94.7Very high94.6Very high182 Ų182143.6 Ų143.669%0.68763%0.632SS**  trans-67.2152.7176.5-63.6-177.9-178.4-1790.7110.8E199 K203E199-R201 PolarHBondContact O-N 3.12Å; R201-K203 VanDerWaalsContact C-N 3.27Å; R201-K203 VanDerWaalsContact CB-O 3.31Å; R201-K203 WeakPolarHBondContact CB-O 3.35Å; R201-K203 PolarHBondContact O-N 3.09Å
202R92.7Very high94.4Very high255 Ų255154.3 Ų154.396%0.96268%0.679SS**SBendtrans-59.5-36.6179.5-178.3177.9169.7-176.4-2.3112.6
203K88.8Confident94.1Very high185 Ų185154.2 Ų154.280%0.80469%0.686SS**  trans-116130.2167.7-64.5-173.4177-173.70107.4R201R201-K203 VanDerWaalsContact C-N 3.27Å; R201-K203 VanDerWaalsContact CB-O 3.31Å; R201-K203 WeakPolarHBondContact CB-O 3.35Å; R201-K203 PolarHBondContact O-N 3.09Å
204R80.6Confident93.7Very high252 Ų252155.4 Ų155.495%0.95169%0.692SS**  trans-102.90176.2-68-173.6-174.4179.73.6109.7M200M200-R204 VanDerWaalsContact CG-NH2 3.27Å; M200-R204 PolarHBondContact SD-NH2 3.07Å

Retrieved 204 of 204 residues in 67.6 ms (Link to these results)

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