A0A5K4FE61_SCHMA Loading...

Protein-L-isoaspartate O-methyltransferase domain-containing protein 1-like

AlphaFold DB , UniProt , Accession A0A5K4FE61, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 613 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
1M36.9Very low62.5Low235 Ų23584.3 Ų84.3100%1.15846%0.462SS*.  0113.10-73.5-174.6-178.100107.3G3M1-G3 PolarHBondContact O-N 3.14Å
2G33.5Very low65.3Low83 Ų8379.2 Ų79.286%0.85643%0.433SS*.  trans-69.495.9170.100000109.2H4G2-H4 PolarHBondContact O-N 2.74Å
3G41.1Very low67.6Low60 Ų6074.5 Ų74.562%0.61941%0.409SS*.  trans-57136.7174.300000109.5M1 V5M1-G3 PolarHBondContact O-N 3.14Å; G3-V5 VanDerWaalsContact C-N 3.28Å; G3-V5 PolarHBondContact O-N 3.4Å
4H47.9Very low69.6Low166 Ų16669.3 Ų69.377%0.76938%0.381SS*.  trans-66.191.1178.7-153-92.3000108G2 S6 E17G2-H4 PolarHBondContact O-N 2.74Å; H4-S6 PolarHBondContact O-N 2.66Å; H4-E17 IonicContact ND1-OE1 2.72Å
5V54.1Low71.4Confident74 Ų7464.9 Ų64.945%0.44836%0.357SS..  trans-62.4108.4-176.41790000107.2G3 R7 M51 M53G3-V5 VanDerWaalsContact C-N 3.28Å; G3-V5 PolarHBondContact O-N 3.4Å; V5-R7 PolarHBondContact O-N 3.41Å; V5-M51 HydrophobicContact CG1-CB 4.41Å; V5-M53 HydrophobicContact CG1-CE 3.82Å
6S55.9Low72.9Confident2 Ų265 Ų651%0.01436%0.356CS..  trans-57.2137.9179.556.40000109.7H4 E17 M51 D52H4-S6 PolarHBondContact O-N 2.66Å; S6-E17 VanDerWaalsContact CA-CD 3.41Å; S6-E17 WeakPolarHBondContact CA-OE1 3.21Å; S6-E17 WeakPolarHBondContact CA-OE2 3.32Å; S6-E17 WeakPolarHBondContact CB-OE2 3.49Å; S6-M51 WeakPolarHBondContact O-CA 3.22Å; S6-M51 WeakPolarHBondContact O-CB 3.31Å; S6-M51 WeakPolarHBondContact O-CG 3.25Å; S6-D52 WeakPolarHBondContact OG-CA 3.35Å; S6-D52 WeakPolarHBondContact OG-CB 3.43Å; S6-D52 PolarHBondContact OG-N 3.35Å
7R68Low74.2Confident190 Ų19062.6 Ų62.672%0.71734%0.342SS*.  trans-124.563.6-179.3-76.7-175.8173164-0.4108.2V5 E17 M51V5-R7 PolarHBondContact O-N 3.41Å; R7-E17 PolarHBondContact N-OE2 2.74Å; R7-E17 VanDerWaalsContact N-OE2 3.1Å; R7-M51 HydrophobicContact CG-CE 4.42Å
8G70.3Confident75.3Confident6 Ų659.3 Ų59.36%0.06232%0.324CS..  trans-51.8140.2163.700000109.7S13 Y50G8-S13 WeakPolarHBondContact CA-OG 3.4Å; G8-Y50 VanDerWaalsContact CA-O 3.23Å; G8-Y50 WeakPolarHBondContact CA-O 3.35Å; G8-Y50 PolarHBondContact N-O 3.26Å; G8-Y50 VanDerWaalsContact O-CB 3.29Å; G8-Y50 WeakPolarHBondContact O-CB 3.45Å
9R88.9Confident76.3Confident97 Ų9759 Ų5937%0.36632%0.324SS..SBendtrans-90.6-24.5176-53.9-174.5-69.6-133.36.7110.7S13 Y50 M392 E394 Y579R9-S13 PolarHBondContact N-OG 2.85Å; R9-Y50 WeakPolarHBondContact O-CD2 3.48Å; R9-M392 HydrophobicContact CB-CB 4.13Å; R9-M392 PolarHBondContact NE-O 2.81Å; R9-M392 PolarHBondContact NH2-O 2.94Å; R9-E394 IonicContact NH1-OE2 2.73Å; R9-Y579 VanDerWaalsContact NH1-CE1 3.34Å
10D94.3Very high77.2Confident10 Ų1064.2 Ų64.25%0.05334%0.338CS..SBendtrans-155-179.1-177.258.59.7000108.8Q12 S13 L14 H391 M392D10-Q12 PolarHBondContact O-N 3.27Å; D10-Q12 PolarHBondContact OD1-N 2.86Å; D10-S13 PolarHBondContact N-OG 3.43Å; D10-S13 PolarHBondContact O-OG 2.9Å; D10-S13 VanDerWaalsContact OD1-CB 3.32Å; D10-S13 WeakPolarHBondContact OD1-CB 3.28Å; D10-S13 PolarHBondContact OD1-N 3.45Å; D10-S13 PolarHBondContact OD1-OG 3.17Å; D10-L14 WeakPolarHBondContact O-CB 3.27Å; D10-L14 PolarHBondContact O-N 3.45Å; D10-H391 VanDerWaalsContact OD2-CA 3.22Å; D10-H391 WeakPolarHBondContact OD2-CA 3.33Å; D10-M392 HydrophobicContact CB-CB 4.48Å; D10-M392 HydrophobicContact CB-CG 4.12Å; D10-M392 PolarHBondContact OD2-N 3.08Å
11N96.6Very high77.9Confident4 Ų465.7 Ų65.72%0.02135%0.347CS..Hα-helixtrans-61-33.3176.6-162.363.8000112.5I15 L33 R34 D37 R38 Y50N11-I15 WeakPolarHBondContact O-CG1 3.36Å; N11-I15 PolarHBondContact O-N 2.89Å; N11-I15 VanDerWaalsContact O-N 3.08Å; N11-L33 PolarHBondContact ND2-O 3.06Å; N11-R34 PolarHBondContact ND2-O 3.1Å; N11-R34 VanDerWaalsContact ND2-O 3.14Å; N11-D37 HydrophobicContact CB-CB 4.44Å; N11-R38 PolarHBondContact OD1-N 3.03Å; N11-R38 VanDerWaalsContact OD1-N 3.13Å; N11-Y50 HydrophobicContact CB-CE1 4.33Å
12Q96.7Very high80.6Confident23 Ų2357.2 Ų57.211%0.10732%0.32CS..Hα-helixtrans-71.4-52.4-173.6-57.6-60.575.500112D10 L14 I15 D16 R34 H391D10-Q12 PolarHBondContact O-N 3.27Å; D10-Q12 PolarHBondContact OD1-N 2.86Å; Q12-L14 VanDerWaalsContact C-N 3.26Å; Q12-L14 PolarHBondContact O-N 3.13Å; Q12-I15 PolarHBondContact O-N 2.89Å; Q12-I15 VanDerWaalsContact O-N 3.13Å; Q12-D16 PolarHBondContact O-N 3.42Å; Q12-R34 PolarHBondContact O-NH1 2.85Å; Q12-R34 VanDerWaalsContact OE1-CB 3.28Å; Q12-R34 PolarHBondContact OE1-O 2.63Å; Q12-H391 HydrophobicContact CB-CB 4.31Å; Q12-H391 HydrophobicContact CG-CB 4.2Å
13S95.1Very high83.4Confident19 Ų1955.4 Ų55.413%0.13329%0.29CS..Hα-helixtrans-65.1-28.5176.354.70000113.1G8 R9 D10 E17G8-S13 WeakPolarHBondContact CA-OG 3.4Å; R9-S13 PolarHBondContact N-OG 2.85Å; D10-S13 PolarHBondContact N-OG 3.43Å; D10-S13 PolarHBondContact O-OG 2.9Å; D10-S13 VanDerWaalsContact OD1-CB 3.32Å; D10-S13 WeakPolarHBondContact OD1-CB 3.28Å; D10-S13 PolarHBondContact OD1-N 3.45Å; D10-S13 PolarHBondContact OD1-OG 3.17Å; S13-E17 WeakPolarHBondContact O-CB 3.41Å; S13-E17 PolarHBondContact O-N 2.92Å
14L95.9Very high85.9Confident1 Ų156.2 Ų56.21%0.00528%0.283CS..Hα-helixtrans-61.3-53.1167.8168.964.1000111.3D10 Q12 D16 E17 L18 P65D10-L14 WeakPolarHBondContact O-CB 3.27Å; D10-L14 PolarHBondContact O-N 3.45Å; Q12-L14 VanDerWaalsContact C-N 3.26Å; Q12-L14 PolarHBondContact O-N 3.13Å; L14-D16 VanDerWaalsContact C-N 3.34Å; L14-D16 PolarHBondContact O-N 3.32Å; L14-E17 PolarHBondContact O-N 2.76Å; L14-L18 HydrophobicContact CD1-CD1 3.81Å; L14-L18 HydrophobicContact CD1-CG 4.2Å; L14-L18 HydrophobicContact CG-CD1 3.96Å; L14-L18 VanDerWaalsContact O-CG 3.3Å; L14-L18 WeakPolarHBondContact O-CG 3.43Å; L14-L18 PolarHBondContact O-N 2.95Å; L14-L18 VanDerWaalsContact O-N 3.07Å; L14-P65 HydrophobicContact CD1-CB 4.18Å; L14-P65 HydrophobicContact CD1-CG 4Å; L14-P65 HydrophobicContact CD2-CB 4.12Å; L14-P65 HydrophobicContact CD2-CG 3.7Å; L14-P65 HydrophobicContact CG-CB 4.43Å; L14-P65 HydrophobicContact CG-CG 4.35Å
15I96.5Very high88.1Confident4 Ų449.7 Ų49.72%0.02125%0.254CS..Hα-helixtrans-63.7-40.8179.2-60.6-56.7000110.8N11 Q12 E17 L18 V19 E30 L33 R34N11-I15 WeakPolarHBondContact O-CG1 3.36Å; N11-I15 PolarHBondContact O-N 2.89Å; N11-I15 VanDerWaalsContact O-N 3.08Å; Q12-I15 PolarHBondContact O-N 2.89Å; Q12-I15 VanDerWaalsContact O-N 3.13Å; I15-E17 VanDerWaalsContact C-N 3.29Å; I15-E17 PolarHBondContact O-N 3.43Å; I15-L18 HydrophobicContact CD1-CD1 4.21Å; I15-L18 PolarHBondContact O-N 2.98Å; I15-V19 HydrophobicContact CG2-CG2 4.19Å; I15-V19 WeakPolarHBondContact O-CG2 3.33Å; I15-V19 PolarHBondContact O-N 3.43Å; I15-E30 HydrophobicContact CG2-CG 3.83Å; I15-L33 HydrophobicContact CD1-CB 4.03Å; I15-L33 HydrophobicContact CD1-CD1 4.32Å; I15-R34 HydrophobicContact CB-CG 4.22Å; I15-R34 HydrophobicContact CG1-CG 4.16Å; I15-R34 HydrophobicContact CG2-CG 4.09Å
16D95Very high90.1Very high66 Ų6649.7 Ų49.735%0.35325%0.251SS..Hα-helixtrans-58.3-40.4176-61.8-22.1000112.2Q12 L14 R20 R34Q12-D16 PolarHBondContact O-N 3.42Å; L14-D16 VanDerWaalsContact C-N 3.34Å; L14-D16 PolarHBondContact O-N 3.32Å; D16-R20 WeakPolarHBondContact O-CB 3.26Å; D16-R20 PolarHBondContact O-N 3.18Å; D16-R20 PolarHBondContact O-NH2 2.72Å; D16-R34 IonicContact OD1-CZ 3.87Å; D16-R34 IonicContact OD1-NH1 2.66Å; D16-R34 PolarHBondContact OD1-NH1 3.21Å; D16-R34 IonicContact OD1-NH2 3.28Å; D16-R34 PolarHBondContact OD1-NH2 3.41Å
17E94.1Very high92Very high24 Ų2454.5 Ų54.511%0.11228%0.283CS..Hα-helixtrans-71-39.4178.3-175.3162.5-166.300112.4H4 S6 R7 S13 L14 I15 R20 N21H4-E17 IonicContact ND1-OE1 2.72Å; S6-E17 VanDerWaalsContact CA-CD 3.41Å; S6-E17 WeakPolarHBondContact CA-OE1 3.21Å; S6-E17 WeakPolarHBondContact CA-OE2 3.32Å; S6-E17 WeakPolarHBondContact CB-OE2 3.49Å; R7-E17 PolarHBondContact N-OE2 2.74Å; R7-E17 VanDerWaalsContact N-OE2 3.1Å; S13-E17 WeakPolarHBondContact O-CB 3.41Å; S13-E17 PolarHBondContact O-N 2.92Å; L14-E17 PolarHBondContact O-N 2.76Å; I15-E17 VanDerWaalsContact C-N 3.29Å; I15-E17 PolarHBondContact O-N 3.43Å; E17-R20 PolarHBondContact O-N 3.05Å; E17-N21 WeakPolarHBondContact O-CB 3.03Å; E17-N21 PolarHBondContact O-N 3.38Å; E17-N21 PolarHBondContact O-ND2 3.22Å; E17-N21 PolarHBondContact O-OD1 2.93Å
18L95.2Very high93.3Very high3 Ų350.6 Ų50.62%0.01627%0.273CS..Hα-helixtrans-63.3-45175.3-66.3163.7000111.8L14 I15 N21 L23 D52 P65 I69L14-L18 HydrophobicContact CD1-CD1 3.81Å; L14-L18 HydrophobicContact CD1-CG 4.2Å; L14-L18 HydrophobicContact CG-CD1 3.96Å; L14-L18 VanDerWaalsContact O-CG 3.3Å; L14-L18 WeakPolarHBondContact O-CG 3.43Å; L14-L18 PolarHBondContact O-N 2.95Å; L14-L18 VanDerWaalsContact O-N 3.07Å; I15-L18 HydrophobicContact CD1-CD1 4.21Å; I15-L18 PolarHBondContact O-N 2.98Å; L18-N21 PolarHBondContact O-N 2.87Å; L18-L23 HydrophobicContact CB-CD1 4.11Å; L18-L23 HydrophobicContact CD2-CD1 3.81Å; L18-L23 WeakPolarHBondContact O-CB 3.13Å; L18-L23 PolarHBondContact O-N 3.25Å; L18-L23 VanDerWaalsContact O-N 3.17Å; L18-D52 HydrophobicContact CD2-CB 3.98Å; L18-P65 HydrophobicContact CD1-CB 3.41Å; L18-P65 VanDerWaalsContact CD1-CB 3.41Å; L18-P65 HydrophobicContact CD2-CB 4.4Å; L18-I69 HydrophobicContact CB-CD1 3.58Å; L18-I69 HydrophobicContact CD1-CD1 3.59Å; L18-I69 HydrophobicContact CG-CD1 4.09Å
19V93.9Very high94.6Very high54 Ų5450.7 Ų50.733%0.32727%0.272SS..Hα-helixtrans-65.1-44.1177.5173.40000111I15 N21 G22I15-V19 HydrophobicContact CG2-CG2 4.19Å; I15-V19 WeakPolarHBondContact O-CG2 3.33Å; I15-V19 PolarHBondContact O-N 3.43Å; V19-N21 PolarHBondContact O-N 2.95Å; V19-G22 PolarHBondContact O-N 2.8Å
20R93.5Very high95Very high162 Ų16248.1 Ų48.161%0.61126%0.264SS*.Hα-helixtrans-61.4-30.5175.8-166.3-170.6-41.8108.112.1112.9D16 E17 G22D16-R20 WeakPolarHBondContact O-CB 3.26Å; D16-R20 PolarHBondContact O-N 3.18Å; D16-R20 PolarHBondContact O-NH2 2.72Å; E17-R20 PolarHBondContact O-N 3.05Å; R20-G22 PolarHBondContact O-N 2.79Å
21N92.4Very high95.1Very high97 Ų9750 Ų5052%0.51927%0.27SS..THydrogen-bonded Turntrans-81.712.7175.1-65.6-12.5000113.3E17 L18 V19E17-N21 WeakPolarHBondContact O-CB 3.03Å; E17-N21 PolarHBondContact O-N 3.38Å; E17-N21 PolarHBondContact O-ND2 3.22Å; E17-N21 PolarHBondContact O-OD1 2.93Å; L18-N21 PolarHBondContact O-N 2.87Å; V19-N21 PolarHBondContact O-N 2.95Å
22G92.9Very high95.2Very high57 Ų5749.9 Ų49.959%0.58827%0.269SS*.THydrogen-bonded Turntrans92.63.4172.200000115.5V19 R20 T24V19-G22 PolarHBondContact O-N 2.8Å; R20-G22 PolarHBondContact O-N 2.79Å; G22-T24 PolarHBondContact O-N 3.09Å
23L93.5Very high95.2Very high44 Ų4449 Ų4923%0.2327%0.265CS..  trans-79.9104.6176-64.3173000110.8L18 I69 V70L18-L23 HydrophobicContact CB-CD1 4.11Å; L18-L23 HydrophobicContact CD2-CD1 3.81Å; L18-L23 WeakPolarHBondContact O-CB 3.13Å; L18-L23 PolarHBondContact O-N 3.25Å; L18-L23 VanDerWaalsContact O-N 3.17Å; L23-I69 HydrophobicContact CB-CD1 4.3Å; L23-I69 HydrophobicContact CB-CG2 3.9Å; L23-I69 HydrophobicContact CD1-CD1 4.2Å; L23-V70 HydrophobicContact CD2-CG2 4.3Å
24T93.2Very high95.3Very high77 Ų7750 Ų5047%0.47227%0.267SS..  trans-89.8139.5-176.659.50000113.2G22 K73G22-T24 PolarHBondContact O-N 3.09Å; T24-K73 PolarHBondContact OG1-NZ 2.85Å
25L94.3Very high95.4Very high30 Ų3050.7 Ų50.716%0.15727%0.27CS..  trans-130.5164.6167.4-74.9175.2000110.7T29 E30 L33 I69 L72 K73L25-T29 HydrophobicContact CD1-CG2 4.08Å; L25-T29 HydrophobicContact CD2-CG2 3.76Å; L25-T29 HydrophobicContact CG-CG2 4.39Å; L25-E30 HydrophobicContact CB-CB 4.22Å; L25-E30 HydrophobicContact CD1-CB 4.42Å; L25-L33 HydrophobicContact CD1-CD1 3.43Å; L25-L33 VanDerWaalsContact CD1-CD1 3.43Å; L25-I69 HydrophobicContact CD1-CB 4.47Å; L25-I69 HydrophobicContact CD1-CG1 4.04Å; L25-I69 HydrophobicContact CD1-CG2 4.04Å; L25-I69 HydrophobicContact CD2-CG2 3.92Å; L25-I69 HydrophobicContact CG-CG2 3.75Å; L25-L72 HydrophobicContact CD2-CB 4.39Å; L25-K73 HydrophobicContact CD2-CB 4.08Å
26N95.5Very high95.5Very high74 Ų7450.5 Ų50.540%0.39627%0.269SS..  trans-73.9152.6162.569.147.6000109.7E28 T29 E30N26-E28 PolarHBondContact O-N 3.48Å; N26-E28 VanDerWaalsContact O-N 3.16Å; N26-E28 PolarHBondContact OD1-N 3.21Å; N26-T29 VanDerWaalsContact CG-OG1 3.31Å; N26-T29 PolarHBondContact ND2-OG1 3.48Å; N26-T29 PolarHBondContact O-N 3.32Å; N26-T29 VanDerWaalsContact O-N 3.08Å; N26-T29 VanDerWaalsContact OD1-CB 3.28Å; N26-T29 WeakPolarHBondContact OD1-CB 3.36Å; N26-T29 PolarHBondContact OD1-N 2.99Å; N26-T29 PolarHBondContact OD1-OG1 3.28Å; N26-E30 PolarHBondContact O-N 3.37Å
27P96Very high95.6Very high103 Ų10350.3 Ų50.367%0.66927%0.268SS*.Hα-helixtrans-56.3-35.8-174.6-28.536000113.9T29 E30 R31P27-T29 PolarHBondContact O-N 3.42Å; P27-E30 PolarHBondContact O-N 2.92Å; P27-R31 VanDerWaalsContact O-CB 3.25Å; P27-R31 WeakPolarHBondContact O-CB 3.48Å; P27-R31 PolarHBondContact O-N 3.38Å
28E95.1Very high95.7Very high108 Ų10849.2 Ų49.251%0.50526%0.263SS..Hα-helixtrans-64.9-38.7179.8-62.6-55.3141.700112.9N26 A32 R137N26-E28 PolarHBondContact O-N 3.48Å; N26-E28 VanDerWaalsContact O-N 3.16Å; N26-E28 PolarHBondContact OD1-N 3.21Å; E28-A32 PolarHBondContact O-N 3.08Å; E28-A32 VanDerWaalsContact O-N 3.08Å; E28-R137 PolarHBondContact O-NH1 2.94Å; E28-R137 IonicContact OE2-CZ 3.01Å; E28-R137 IonicContact OE2-NH1 3.76Å; E28-R137 IonicContact OE2-NH2 2.81Å; E28-R137 PolarHBondContact OE2-NH2 3.46Å
29T97.3Very high95.7Very high7 Ų750 Ų504%0.04327%0.271CS..Hα-helixtrans-76.1-40.4179.3-54.90000111.4L25 N26 P27 A32 L33 L72 L100L25-T29 HydrophobicContact CD1-CG2 4.08Å; L25-T29 HydrophobicContact CD2-CG2 3.76Å; L25-T29 HydrophobicContact CG-CG2 4.39Å; N26-T29 VanDerWaalsContact CG-OG1 3.31Å; N26-T29 PolarHBondContact ND2-OG1 3.48Å; N26-T29 PolarHBondContact O-N 3.32Å; N26-T29 VanDerWaalsContact O-N 3.08Å; N26-T29 VanDerWaalsContact OD1-CB 3.28Å; N26-T29 WeakPolarHBondContact OD1-CB 3.36Å; N26-T29 PolarHBondContact OD1-N 2.99Å; N26-T29 PolarHBondContact OD1-OG1 3.28Å; P27-T29 PolarHBondContact O-N 3.42Å; T29-A32 PolarHBondContact O-N 3.27Å; T29-L33 PolarHBondContact O-N 2.99Å; T29-L33 VanDerWaalsContact O-N 3.07Å; T29-L72 HydrophobicContact CG2-CB 3.74Å; T29-L72 HydrophobicContact CG2-CD1 4.2Å; T29-L72 HydrophobicContact CG2-CD2 4.45Å; T29-L72 HydrophobicContact CG2-CG 4.36Å; T29-L100 HydrophobicContact CG2-CD1 4.12Å
30E97.7Very high95.7Very high44 Ų4449.3 Ų49.321%0.20628%0.276CS..Hα-helixtrans-62.2-46.6172.3-165.9-169.513400111I15 L25 N26 P27 A32 L33 R34I15-E30 HydrophobicContact CG2-CG 3.83Å; L25-E30 HydrophobicContact CB-CB 4.22Å; L25-E30 HydrophobicContact CD1-CB 4.42Å; N26-E30 PolarHBondContact O-N 3.37Å; P27-E30 PolarHBondContact O-N 2.92Å; E30-A32 VanDerWaalsContact C-N 3.31Å; E30-A32 PolarHBondContact O-N 3.2Å; E30-L33 PolarHBondContact O-N 2.83Å; E30-L33 VanDerWaalsContact O-N 3.14Å; E30-R34 WeakPolarHBondContact O-CG 3.09Å; E30-R34 PolarHBondContact O-N 2.66Å; E30-R34 IonicContact OE1-CZ 2.81Å; E30-R34 IonicContact OE1-NE 3.48Å; E30-R34 PolarHBondContact OE1-NE 3.33Å; E30-R34 IonicContact OE1-NH2 2.7Å; E30-R34 PolarHBondContact OE1-NH2 2.8Å
31R97.6Very high95.8Very high50 Ų5041.8 Ų41.819%0.18925%0.247CC..Hα-helixtrans-58.1-41.9175.8-171.771.6-179.1-164.99.1111.5P27 R34 L35 E136 P387P27-R31 VanDerWaalsContact O-CB 3.25Å; P27-R31 WeakPolarHBondContact O-CB 3.48Å; P27-R31 PolarHBondContact O-N 3.38Å; R31-R34 PolarHBondContact O-N 3.4Å; R31-L35 HydrophobicContact CG-CD1 4.15Å; R31-L35 HydrophobicContact CG-CG 4.48Å; R31-L35 WeakPolarHBondContact O-CB 3.45Å; R31-L35 WeakPolarHBondContact O-CG 3.44Å; R31-L35 PolarHBondContact O-N 3.25Å; R31-E136 IonicContact CZ-OE1 3.82Å; R31-E136 IonicContact CZ-OE2 3.58Å; R31-E136 IonicContact NE-OE1 3.18Å; R31-E136 PolarHBondContact NE-OE1 3.43Å; R31-E136 IonicContact NE-OE2 2.77Å; R31-E136 VanDerWaalsContact NH2-CD 3.34Å; R31-E136 IonicContact NH2-OE1 2.73Å; R31-E136 PolarHBondContact NH2-OE1 2.77Å; R31-E136 IonicContact NH2-OE2 2.7Å; R31-E136 PolarHBondContact NH2-OE2 2.89Å; R31-P387 PolarHBondContact NH1-O 3.36Å; R31-P387 PolarHBondContact NH2-O 3.28Å
32A97.7Very high95.9Very high0 Ų037.7 Ų37.70%023%0.225CC..Hα-helixtrans-63.8-39176.100000113.4E28 T29 E30 V36 V96 L99 L100E28-A32 PolarHBondContact O-N 3.08Å; E28-A32 VanDerWaalsContact O-N 3.08Å; T29-A32 PolarHBondContact O-N 3.27Å; E30-A32 VanDerWaalsContact C-N 3.31Å; E30-A32 PolarHBondContact O-N 3.2Å; A32-V36 PolarHBondContact O-N 3Å; A32-V96 HydrophobicContact CB-CG1 4.17Å; A32-L99 HydrophobicContact CB-CB 4.13Å; A32-L99 HydrophobicContact CB-CD1 4.4Å; A32-L100 HydrophobicContact CB-CD2 3.6Å; A32-L100 HydrophobicContact CB-CG 3.92Å
33L97.3Very high95.5Very high4 Ų437.8 Ų37.82%0.02122%0.217CC..Hα-helixtrans-66.9-38.2173.3-80.8172.3000112.7N11 I15 L25 T29 E30 V36 I69 L72 Y92 V96N11-L33 PolarHBondContact ND2-O 3.06Å; I15-L33 HydrophobicContact CD1-CB 4.03Å; I15-L33 HydrophobicContact CD1-CD1 4.32Å; L25-L33 HydrophobicContact CD1-CD1 3.43Å; L25-L33 VanDerWaalsContact CD1-CD1 3.43Å; T29-L33 PolarHBondContact O-N 2.99Å; T29-L33 VanDerWaalsContact O-N 3.07Å; E30-L33 PolarHBondContact O-N 2.83Å; E30-L33 VanDerWaalsContact O-N 3.14Å; L33-V36 VanDerWaalsContact O-O 3.09Å; L33-I69 HydrophobicContact CD1-CG1 3.84Å; L33-L72 HydrophobicContact CD1-CD1 3.82Å; L33-L72 HydrophobicContact CD2-CD1 3.73Å; L33-L72 HydrophobicContact CG-CD1 3.79Å; L33-Y92 HydrophobicContact CD2-CE1 4.47Å; L33-V96 HydrophobicContact CD2-CG1 3.92Å; L33-V96 HydrophobicContact CD2-CG2 4.01Å; L33-V96 HydrophobicContact CG-CG1 4.12Å
34R97.7Very high95.1Very high42 Ų4239.8 Ų39.816%0.15822%0.224CC..Hα-helixtrans-66.8-36.9176.6-71.8-179.1-176.3-83.26.7112.7N11 Q12 I15 D16 E30 R31 L389N11-R34 PolarHBondContact ND2-O 3.1Å; N11-R34 VanDerWaalsContact ND2-O 3.14Å; Q12-R34 PolarHBondContact O-NH1 2.85Å; Q12-R34 VanDerWaalsContact OE1-CB 3.28Å; Q12-R34 PolarHBondContact OE1-O 2.63Å; I15-R34 HydrophobicContact CB-CG 4.22Å; I15-R34 HydrophobicContact CG1-CG 4.16Å; I15-R34 HydrophobicContact CG2-CG 4.09Å; D16-R34 IonicContact OD1-CZ 3.87Å; D16-R34 IonicContact OD1-NH1 2.66Å; D16-R34 PolarHBondContact OD1-NH1 3.21Å; D16-R34 IonicContact OD1-NH2 3.28Å; D16-R34 PolarHBondContact OD1-NH2 3.41Å; E30-R34 WeakPolarHBondContact O-CG 3.09Å; E30-R34 PolarHBondContact O-N 2.66Å; E30-R34 IonicContact OE1-CZ 2.81Å; E30-R34 IonicContact OE1-NE 3.48Å; E30-R34 PolarHBondContact OE1-NE 3.33Å; E30-R34 IonicContact OE1-NH2 2.7Å; E30-R34 PolarHBondContact OE1-NH2 2.8Å; R31-R34 PolarHBondContact O-N 3.4Å; R34-L389 HydrophobicContact CB-CD1 3.87Å
35L97.5Very high94.7Very high14 Ų1446.8 Ų46.87%0.07325%0.248CC..Hα-helixtrans-71-32.5178.5-76.6170.6000114.2R31 L99 C131 A133 E136 R137 L389R31-L35 HydrophobicContact CG-CD1 4.15Å; R31-L35 HydrophobicContact CG-CG 4.48Å; R31-L35 WeakPolarHBondContact O-CB 3.45Å; R31-L35 WeakPolarHBondContact O-CG 3.44Å; R31-L35 PolarHBondContact O-N 3.25Å; L35-L99 HydrophobicContact CB-CD1 3.9Å; L35-L99 HydrophobicContact CD1-CD1 4.1Å; L35-C131 PolarHBondContact O-SG 2.84Å; L35-C131 VanDerWaalsContact O-SG 3.41Å; L35-A133 HydrophobicContact CB-CB 3.86Å; L35-A133 HydrophobicContact CD1-CB 4.05Å; L35-A133 HydrophobicContact CD2-CB 3.96Å; L35-A133 HydrophobicContact CG-CB 4.18Å; L35-E136 WeakPolarHBondContact CD1-OE1 3.34Å; L35-R137 HydrophobicContact CD1-CG 4.49Å; L35-L389 HydrophobicContact CD2-CD1 4.18Å; L35-L389 HydrophobicContact CD2-CD2 3.83Å; L35-L389 HydrophobicContact CG-CD1 4.48Å
36V97.7Very high94.3Very high0 Ų046.9 Ų46.90%025%0.252CS..SBendtrans-96.496.9176.8-172.50000108.6A32 L33 R38 Y41 Y92 T95 V96 L99 F127A32-V36 PolarHBondContact O-N 3Å; L33-V36 VanDerWaalsContact O-O 3.09Å; V36-R38 PolarHBondContact O-N 2.79Å; V36-Y41 HydrophobicContact CG1-CD2 4.27Å; V36-Y41 HydrophobicContact CG1-CE2 3.67Å; V36-Y92 HydrophobicContact CB-CE2 4.27Å; V36-Y92 HydrophobicContact CG1-CD2 3.88Å; V36-Y92 HydrophobicContact CG1-CE2 3.75Å; V36-Y92 WeakPolarHBondContact O-CE2 3.34Å; V36-T95 HydrophobicContact CG1-CG2 4Å; V36-T95 HydrophobicContact CG2-CG2 4.02Å; V36-V96 HydrophobicContact CB-CG2 3.77Å; V36-V96 HydrophobicContact CG1-CG2 4.09Å; V36-V96 HydrophobicContact CG2-CG2 3.93Å; V36-L99 HydrophobicContact CG2-CD1 3.58Å; V36-F127 HydrophobicContact CG2-CE2 3.92Å; V36-F127 HydrophobicContact CG2-CZ 4.2Å
37D96.7Very high93.9Very high63 Ų6347.7 Ų47.734%0.33726%0.261SS..  trans-61.1118.4177.5-167.6-32.4000110.8N11 G39 G40 Y50N11-D37 HydrophobicContact CB-CB 4.44Å; D37-G39 VanDerWaalsContact C-N 3.25Å; D37-G39 PolarHBondContact O-N 3Å; D37-G39 WeakPolarHBondContact OD1-CA 3.43Å; D37-G39 PolarHBondContact OD1-N 2.79Å; D37-G40 PolarHBondContact O-N 2.89Å; D37-Y50 WeakPolarHBondContact OD1-CE1 3.42Å; D37-Y50 PolarHBondContact OD1-OH 2.9Å
38R96.5Very high93.7Very high1 Ų148.6 Ų48.60%0.00425%0.251CS..G310 helixtrans-60.2-32.9176.6-179.7176170.493-1.4113.1N11 V36 G40 Y41 A49 M53 S63 Y92N11-R38 PolarHBondContact OD1-N 3.03Å; N11-R38 VanDerWaalsContact OD1-N 3.13Å; V36-R38 PolarHBondContact O-N 2.79Å; R38-G40 PolarHBondContact O-N 3.08Å; R38-Y41 PolarHBondContact O-N 3.29Å; R38-Y41 VanDerWaalsContact O-N 3.15Å; R38-A49 WeakPolarHBondContact CD-O 3.32Å; R38-A49 PolarHBondContact NE-O 2.87Å; R38-A49 VanDerWaalsContact NE-O 3.09Å; R38-M53 PolarHBondContact NH2-O 3Å; R38-S63 VanDerWaalsContact CZ-O 3.29Å; R38-S63 PolarHBondContact NH1-O 2.82Å; R38-S63 PolarHBondContact NH2-O 2.92Å; R38-Y92 HydrophobicContact CB-CE2 3.9Å; R38-Y92 HydrophobicContact CG-CE2 4.45Å
39G95.3Very high93.7Very high19 Ų1943.5 Ų43.520%0.19623%0.228CC..G310 helixtrans-63.6-28.6174.100000112.7D37 Y41 F42D37-G39 VanDerWaalsContact C-N 3.25Å; D37-G39 PolarHBondContact O-N 3Å; D37-G39 WeakPolarHBondContact OD1-CA 3.43Å; D37-G39 PolarHBondContact OD1-N 2.79Å; G39-Y41 PolarHBondContact O-N 2.84Å; G39-Y41 VanDerWaalsContact O-N 3.15Å; G39-F42 PolarHBondContact O-N 3.2Å
40G95Very high93.6Very high40 Ų4045.2 Ų45.241%0.41223%0.233SC..G310 helixtrans-67-6.2173.100000115D37 R38 H123D37-G40 PolarHBondContact O-N 2.89Å; R38-G40 PolarHBondContact O-N 3.08Å; G40-H123 PolarHBondContact O-CD2 3.2Å
41Y96Very high93.4Very high4 Ų444.6 Ų44.62%0.01623%0.231CC..G310 helixtrans-119.711.5176.5-71.9-93.2000113V36 R38 G39 T90 Y92 T95 H123V36-Y41 HydrophobicContact CG1-CD2 4.27Å; V36-Y41 HydrophobicContact CG1-CE2 3.67Å; R38-Y41 PolarHBondContact O-N 3.29Å; R38-Y41 VanDerWaalsContact O-N 3.15Å; G39-Y41 PolarHBondContact O-N 2.84Å; G39-Y41 VanDerWaalsContact O-N 3.15Å; Y41-T90 WeakPolarHBondContact CD1-O 3.3Å; Y41-Y92 AromaticContact CD2-CD2 3.62Å; Y41-Y92 HydrophobicContact CD2-CD2 3.62Å; Y41-Y92 HydrophobicContact CD2-CG 4.42Å; Y41-Y92 HydrophobicContact CE2-CD2 4.25Å; Y41-Y92 AromaticContact CG-CD2 4Å; Y41-Y92 HydrophobicContact CG-CD2 4Å; Y41-Y92 HydrophobicContact CG-CG 4.4Å; Y41-T95 WeakPolarHBondContact OH-CB 3.35Å; Y41-T95 WeakPolarHBondContact OH-CG2 3.4Å; Y41-T95 PolarHBondContact OH-OG1 2.99Å; Y41-H123 HydrophobicContact CD1-CB 3.89Å; Y41-H123 HydrophobicContact CE1-CB 3.68Å
42F92.6Very high93.3Very high10 Ų1044.6 Ų44.64%0.04424%0.235CC..  trans-104.2122-179.9-142.3-84.8000107.9G39 E44 R48 A49 W55 L62G39-F42 PolarHBondContact O-N 3.2Å; F42-E44 HydrophobicContact CD1-CB 4.16Å; F42-E44 WeakPolarHBondContact CD1-O 3.49Å; F42-E44 HydrophobicContact CE1-CB 4.36Å; F42-E44 PolarHBondContact O-N 2.93Å; F42-R48 HydrophobicContact CZ-CB 3.97Å; F42-A49 HydrophobicContact CB-CB 4.13Å; F42-A49 HydrophobicContact CD1-CB 4.49Å; F42-A49 HydrophobicContact CD2-CB 3.62Å; F42-A49 VanDerWaalsContact CE2-CA 3.45Å; F42-A49 HydrophobicContact CE2-CB 3.99Å; F42-A49 HydrophobicContact CG-CB 3.87Å; F42-W55 HydrophobicContact CD1-CD2 4.19Å; F42-W55 AromaticContact CD1-CE2 3.8Å; F42-W55 HydrophobicContact CD1-CZ2 4.02Å; F42-W55 AromaticContact CD1-NE1 3.99Å; F42-W55 HydrophobicContact CD2-CB 4.44Å; F42-W55 HydrophobicContact CD2-CD2 4Å; F42-W55 HydrophobicContact CD2-CE3 4.21Å; F42-W55 HydrophobicContact CD2-CG 4.15Å; F42-W55 AromaticContact CE1-CD1 3.49Å; F42-W55 VanDerWaalsContact CE1-CD1 3.49Å; F42-W55 AromaticContact CE1-CD2 3.94Å; F42-W55 HydrophobicContact CE1-CD2 3.94Å; F42-W55 AromaticContact CE1-CE2 3.56Å; F42-W55 AromaticContact CE1-CG 3.85Å; F42-W55 HydrophobicContact CE1-CG 3.85Å; F42-W55 HydrophobicContact CE1-CZ2 4.2Å; F42-W55 AromaticContact CE1-NE1 3.29Å; F42-W55 VanDerWaalsContact CE1-NE1 3.29Å; F42-W55 HydrophobicContact CE2-CB 3.5Å; F42-W55 AromaticContact CE2-CD1 3.78Å; F42-W55 AromaticContact CE2-CD2 3.7Å; F42-W55 HydrophobicContact CE2-CD2 3.7Å; F42-W55 HydrophobicContact CE2-CE3 4.29Å; F42-W55 AromaticContact CE2-CG 3.36Å; F42-W55 HydrophobicContact CE2-CG 3.36Å; F42-W55 HydrophobicContact CG-CD2 4.27Å; F42-W55 HydrophobicContact CG-CE3 4.49Å; F42-W55 HydrophobicContact CG-CZ2 4.48Å; F42-W55 HydrophobicContact CZ-CB 3.73Å; F42-W55 AromaticContact CZ-CD1 3.11Å; F42-W55 AromaticContact CZ-CD2 3.71Å; F42-W55 HydrophobicContact CZ-CD2 3.71Å; F42-W55 AromaticContact CZ-CE2 3.82Å; F42-W55 AromaticContact CZ-CG 3.22Å; F42-W55 HydrophobicContact CZ-CG 3.22Å; F42-W55 AromaticContact CZ-NE1 3.47Å; F42-L62 HydrophobicContact CD2-CD1 3.86Å
43S85.3Confident93.1Very high60 Ų6047.3 Ų47.342%0.4225%0.248SC..SBendtrans-68.2-21-175.561.70000113.4W55S43-W55 VanDerWaalsContact OG-CH2 3.31Å; S43-W55 WeakPolarHBondContact OG-CH2 3.29Å; S43-W55 VanDerWaalsContact OG-CZ2 3.24Å; S43-W55 WeakPolarHBondContact OG-CZ2 3.39Å
44E85.8Confident92.9Very high85 Ų8549.6 Ų49.640%0.39727%0.268SS..SBendtrans-105.4127.1177.6-66156.3-137.300109.4F42 S46 S57F42-E44 HydrophobicContact CD1-CB 4.16Å; F42-E44 WeakPolarHBondContact CD1-O 3.49Å; F42-E44 HydrophobicContact CE1-CB 4.36Å; F42-E44 PolarHBondContact O-N 2.93Å; E44-S46 VanDerWaalsContact C-N 3.26Å; E44-S46 PolarHBondContact O-N 3.35Å; E44-S57 PolarHBondContact OE1-OG 2.83Å
45K83.3Confident92.7Very high224 Ų22448.1 Ų48.197%0.97426%0.262SS*.  trans-71.884.3172.4-69.8-169.7176.8-173.40110
46S86.9Confident92.4Very high32 Ų3255.1 Ų55.122%0.22429%0.287CS..  trans-131.2137.8-169.5-174.40000111.8E44 R48 A49E44-S46 VanDerWaalsContact C-N 3.26Å; E44-S46 PolarHBondContact O-N 3.35Å; S46-R48 PolarHBondContact O-N 3.28Å; S46-R48 PolarHBondContact OG-N 2.79Å; S46-A49 WeakPolarHBondContact O-CB 3.43Å; S46-A49 PolarHBondContact O-N 3.46Å
47P87.9Confident92.1Very high91 Ų9157 Ų5759%0.59130%0.301SS*.G310 helixtrans-56.4-18.1170.6-25.134.8000113.9A49 Y50P47-A49 PolarHBondContact O-N 2.94Å; P47-Y50 PolarHBondContact O-N 2.75Å; P47-Y50 VanDerWaalsContact O-N 3.09Å
48R91.3Very high91.9Very high122 Ų12257.2 Ų57.246%0.4632%0.318SS..G310 helixtrans-60.6-20.4173.1-64.5-17768.5-179.22.3113.5F42 S46 Y50 M51F42-R48 HydrophobicContact CZ-CB 3.97Å; S46-R48 PolarHBondContact O-N 3.28Å; S46-R48 PolarHBondContact OG-N 2.79Å; R48-Y50 PolarHBondContact O-N 2.84Å; R48-M51 HydrophobicContact CG-CE 4.47Å; R48-M51 HydrophobicContact CG-SD 4.37Å; R48-M51 PolarHBondContact O-N 2.98Å
49A94.3Very high91.6Very high2 Ų259.3 Ų59.32%0.01733%0.332CS..G310 helixtrans-59.2-30.8172.700000112.8R38 F42 S46 P47R38-A49 WeakPolarHBondContact CD-O 3.32Å; R38-A49 PolarHBondContact NE-O 2.87Å; R38-A49 VanDerWaalsContact NE-O 3.09Å; F42-A49 HydrophobicContact CB-CB 4.13Å; F42-A49 HydrophobicContact CD1-CB 4.49Å; F42-A49 HydrophobicContact CD2-CB 3.62Å; F42-A49 VanDerWaalsContact CE2-CA 3.45Å; F42-A49 HydrophobicContact CE2-CB 3.99Å; F42-A49 HydrophobicContact CG-CB 3.87Å; S46-A49 WeakPolarHBondContact O-CB 3.43Å; S46-A49 PolarHBondContact O-N 3.46Å; P47-A49 PolarHBondContact O-N 2.94Å
50Y95.7Very high91.6Very high42 Ų4258.7 Ų58.717%0.16533%0.325CS..G310 helixtrans-104.723.3-173.6-49.1-52.7000113.4G8 R9 N11 D37 P47 R48G8-Y50 VanDerWaalsContact CA-O 3.23Å; G8-Y50 WeakPolarHBondContact CA-O 3.35Å; G8-Y50 PolarHBondContact N-O 3.26Å; G8-Y50 VanDerWaalsContact O-CB 3.29Å; G8-Y50 WeakPolarHBondContact O-CB 3.45Å; R9-Y50 WeakPolarHBondContact O-CD2 3.48Å; N11-Y50 HydrophobicContact CB-CE1 4.33Å; D37-Y50 WeakPolarHBondContact OD1-CE1 3.42Å; D37-Y50 PolarHBondContact OD1-OH 2.9Å; P47-Y50 PolarHBondContact O-N 2.75Å; P47-Y50 VanDerWaalsContact O-N 3.09Å; R48-Y50 PolarHBondContact O-N 2.84Å
51M94.2Very high91.4Very high32 Ų3259.5 Ų59.516%0.15832%0.318CS..SBendtrans-107.4147.5173.4-59.6-178.9-172.700110.1V5 S6 R7 R48 M53V5-M51 HydrophobicContact CG1-CB 4.41Å; S6-M51 WeakPolarHBondContact O-CA 3.22Å; S6-M51 WeakPolarHBondContact O-CB 3.31Å; S6-M51 WeakPolarHBondContact O-CG 3.25Å; R7-M51 HydrophobicContact CG-CE 4.42Å; R48-M51 HydrophobicContact CG-CE 4.47Å; R48-M51 HydrophobicContact CG-SD 4.37Å; R48-M51 PolarHBondContact O-N 2.98Å; M51-M53 HydrophobicContact CB-CE 4.19Å; M51-M53 HydrophobicContact CB-CG 3.95Å; M51-M53 HydrophobicContact CB-SD 4.35Å; M51-M53 PolarHBondContact O-N 3.13Å; M51-M53 HydrophobicContact SD-CE 4.09Å; M51-M53 HydrophobicContact SD-SD 4.48Å
52D95Very high91.4Very high50 Ų5059.3 Ų59.327%0.26732%0.317SS..SBendtrans-76.369.2175.7-168.838.7000111.8S6 L18 P65 S66S6-D52 WeakPolarHBondContact OG-CA 3.35Å; S6-D52 WeakPolarHBondContact OG-CB 3.43Å; S6-D52 PolarHBondContact OG-N 3.35Å; L18-D52 HydrophobicContact CD2-CB 3.98Å; D52-P65 WeakPolarHBondContact OD1-CB 3.38Å; D52-P65 WeakPolarHBondContact OD1-CD 3.3Å; D52-S66 VanDerWaalsContact CG-OG 3.23Å; D52-S66 WeakPolarHBondContact OD1-CB 3.34Å; D52-S66 PolarHBondContact OD1-N 3.25Å; D52-S66 PolarHBondContact OD1-OG 2.81Å; D52-S66 WeakPolarHBondContact OD2-CB 2.99Å; D52-S66 PolarHBondContact OD2-OG 3.35Å
53M93.3Very high91.5Very high56 Ų5659.1 Ų59.128%0.27632%0.317SS..SBendtrans-143.9153.7176.358.417660.900111V5 R38 M51V5-M53 HydrophobicContact CG1-CE 3.82Å; R38-M53 PolarHBondContact NH2-O 3Å; M51-M53 HydrophobicContact CB-CE 4.19Å; M51-M53 HydrophobicContact CB-CG 3.95Å; M51-M53 HydrophobicContact CB-SD 4.35Å; M51-M53 PolarHBondContact O-N 3.13Å; M51-M53 HydrophobicContact SD-CE 4.09Å; M51-M53 HydrophobicContact SD-SD 4.48Å
54A93.5Very high91.9Very high52 Ų5256.9 Ų56.943%0.4330%0.302SS..  trans-66.4147.9166.700000110.1L62A54-L62 CarbonylContact C-O 3.58Å; A54-L62 VanDerWaalsContact CA-O 3.24Å; A54-L62 WeakPolarHBondContact CA-O 3.36Å
55W93.2Very high92.4Very high11 Ų1153.2 Ų53.24%0.04229%0.285CS..EExtended strand (participates in β ladder)trans-126.4144173.1168.378.4000110.1F42 S43 L60 H61 L62 T90F42-W55 HydrophobicContact CD1-CD2 4.19Å; F42-W55 AromaticContact CD1-CE2 3.8Å; F42-W55 HydrophobicContact CD1-CZ2 4.02Å; F42-W55 AromaticContact CD1-NE1 3.99Å; F42-W55 HydrophobicContact CD2-CB 4.44Å; F42-W55 HydrophobicContact CD2-CD2 4Å; F42-W55 HydrophobicContact CD2-CE3 4.21Å; F42-W55 HydrophobicContact CD2-CG 4.15Å; F42-W55 AromaticContact CE1-CD1 3.49Å; F42-W55 VanDerWaalsContact CE1-CD1 3.49Å; F42-W55 AromaticContact CE1-CD2 3.94Å; F42-W55 HydrophobicContact CE1-CD2 3.94Å; F42-W55 AromaticContact CE1-CE2 3.56Å; F42-W55 AromaticContact CE1-CG 3.85Å; F42-W55 HydrophobicContact CE1-CG 3.85Å; F42-W55 HydrophobicContact CE1-CZ2 4.2Å; F42-W55 AromaticContact CE1-NE1 3.29Å; F42-W55 VanDerWaalsContact CE1-NE1 3.29Å; F42-W55 HydrophobicContact CE2-CB 3.5Å; F42-W55 AromaticContact CE2-CD1 3.78Å; F42-W55 AromaticContact CE2-CD2 3.7Å; F42-W55 HydrophobicContact CE2-CD2 3.7Å; F42-W55 HydrophobicContact CE2-CE3 4.29Å; F42-W55 AromaticContact CE2-CG 3.36Å; F42-W55 HydrophobicContact CE2-CG 3.36Å; F42-W55 HydrophobicContact CG-CD2 4.27Å; F42-W55 HydrophobicContact CG-CE3 4.49Å; F42-W55 HydrophobicContact CG-CZ2 4.48Å; F42-W55 HydrophobicContact CZ-CB 3.73Å; F42-W55 AromaticContact CZ-CD1 3.11Å; F42-W55 AromaticContact CZ-CD2 3.71Å; F42-W55 HydrophobicContact CZ-CD2 3.71Å; F42-W55 AromaticContact CZ-CE2 3.82Å; F42-W55 AromaticContact CZ-CG 3.22Å; F42-W55 HydrophobicContact CZ-CG 3.22Å; F42-W55 AromaticContact CZ-NE1 3.47Å; S43-W55 VanDerWaalsContact OG-CH2 3.31Å; S43-W55 WeakPolarHBondContact OG-CH2 3.29Å; S43-W55 VanDerWaalsContact OG-CZ2 3.24Å; S43-W55 WeakPolarHBondContact OG-CZ2 3.39Å; W55-L60 HydrophobicContact CH2-CB 4.26Å; W55-L60 HydrophobicContact CH2-CD1 4.3Å; W55-L60 HydrophobicContact CZ3-CB 4.1Å; W55-H61 WeakPolarHBondContact O-CA 3.42Å; W55-H61 PolarHBondContact O-CD2 2.78Å; W55-H61 VanDerWaalsContact O-CD2 3.32Å; W55-L62 HydrophobicContact CB-CB 4.48Å; W55-L62 HydrophobicContact CE3-CB 4.17Å; W55-L62 HydrophobicContact CE3-CD1 3.84Å; W55-L62 HydrophobicContact CE3-CG 4.07Å; W55-L62 HydrophobicContact CZ3-CD1 4.25Å; W55-L62 PolarHBondContact N-O 2.84Å; W55-L62 PolarHBondContact O-N 3.18Å; W55-T90 HydrophobicContact CZ3-CG2 4.14Å
56R91.7Very high93Very high161 Ų16143.6 Ų43.661%0.60825%0.246SC*.EExtended strand (participates in β ladder)trans-138.4136.9173.4169.5178.6-85.9-154.7-5109.2G58 L60R56-G58 WeakPolarHBondContact CG-O 3.45Å; R56-L60 VanDerWaalsContact CA-O 3.25Å; R56-L60 WeakPolarHBondContact CA-O 3.41Å; R56-L60 WeakPolarHBondContact CG-O 3.41Å
57S90.9Very high93.4Very high41 Ų4143 Ų4329%0.28724%0.241SC..EExtended strand (participates in β ladder)trans-139.4113.7166.2-165.70000108.2E44 S59 L60E44-S57 PolarHBondContact OE1-OG 2.83Å; S57-S59 PolarHBondContact O-N 2.96Å; S57-L60 PolarHBondContact N-O 2.81Å; S57-L60 WeakPolarHBondContact O-CB 3.36Å; S57-L60 PolarHBondContact O-N 2.7Å
58G91.4Very high93.9Very high67 Ų6739.3 Ų39.369%0.69122%0.215SC*.THydrogen-bonded Turntrans55.7-120.2-167.100000112.4R56R56-G58 WeakPolarHBondContact CG-O 3.45Å
59S92Very high94.2Very high44 Ų4433.6 Ų33.631%0.30819%0.194SC..THydrogen-bonded Turntrans-86.7-12.2176.256.10000114.9S57 N113 N116S57-S59 PolarHBondContact O-N 2.96Å; S59-N113 WeakPolarHBondContact CB-ND2 3.16Å; S59-N113 PolarHBondContact OG-ND2 3.38Å; S59-N113 VanDerWaalsContact OG-ND2 3.09Å; S59-N116 WeakPolarHBondContact CB-OD1 3.16Å; S59-N116 PolarHBondContact O-ND2 3.18Å; S59-N116 PolarHBondContact O-OD1 2.93Å; S59-N116 PolarHBondContact OG-OD1 3.01Å
60L93.6Very high94.3Very high6 Ų634.2 Ų34.23%0.03120%0.197CC..EExtended strand (participates in β ladder)trans-73.6140.9178.7-62.5167.8000109.5W55 R56 S57 T90 F115 N116 F119W55-L60 HydrophobicContact CH2-CB 4.26Å; W55-L60 HydrophobicContact CH2-CD1 4.3Å; W55-L60 HydrophobicContact CZ3-CB 4.1Å; R56-L60 VanDerWaalsContact CA-O 3.25Å; R56-L60 WeakPolarHBondContact CA-O 3.41Å; R56-L60 WeakPolarHBondContact CG-O 3.41Å; S57-L60 PolarHBondContact N-O 2.81Å; S57-L60 WeakPolarHBondContact O-CB 3.36Å; S57-L60 PolarHBondContact O-N 2.7Å; L60-T90 HydrophobicContact CB-CG2 4.3Å; L60-T90 HydrophobicContact CD2-CG2 4.27Å; L60-F115 HydrophobicContact CD1-CE1 3.98Å; L60-F115 HydrophobicContact CD2-CE1 4.25Å; L60-F115 HydrophobicContact CG-CE1 3.97Å; L60-N116 HydrophobicContact CD2-CB 4.29Å; L60-N116 WeakPolarHBondContact CD2-OD1 3.43Å; L60-F119 HydrophobicContact CD1-CD1 4.42Å; L60-F119 HydrophobicContact CD1-CD2 3.62Å; L60-F119 HydrophobicContact CD1-CE1 4.32Å; L60-F119 HydrophobicContact CD1-CE2 3.48Å; L60-F119 VanDerWaalsContact CD1-CE2 3.48Å; L60-F119 HydrophobicContact CD1-CG 4.1Å; L60-F119 HydrophobicContact CD1-CZ 3.86Å; L60-F119 HydrophobicContact CD2-CB 3.97Å; L60-F119 HydrophobicContact CD2-CD1 3.71Å; L60-F119 HydrophobicContact CD2-CD2 4.04Å; L60-F119 HydrophobicContact CD2-CE1 4.19Å; L60-F119 HydrophobicContact CD2-CE2 4.46Å; L60-F119 HydrophobicContact CD2-CG 3.63Å; L60-F119 HydrophobicContact CG-CD2 4.49Å
61H92.5Very high94.4Very high58 Ų5832.2 Ų32.227%0.26919%0.189SC..EExtended strand (participates in β ladder)trans-142.8133.3177.2177.7-115.9000110.7W55W55-H61 WeakPolarHBondContact O-CA 3.42Å; W55-H61 PolarHBondContact O-CD2 2.78Å; W55-H61 VanDerWaalsContact O-CD2 3.32Å
62L94Very high94.6Very high0 Ų030.9 Ų30.90%018%0.183CC..EExtended strand (participates in β ladder)trans-116.5124.1165.9-81.9170.2000108.1F42 A54 W55 Y68 T90 Y92F42-L62 HydrophobicContact CD2-CD1 3.86Å; A54-L62 CarbonylContact C-O 3.58Å; A54-L62 VanDerWaalsContact CA-O 3.24Å; A54-L62 WeakPolarHBondContact CA-O 3.36Å; W55-L62 HydrophobicContact CB-CB 4.48Å; W55-L62 HydrophobicContact CE3-CB 4.17Å; W55-L62 HydrophobicContact CE3-CD1 3.84Å; W55-L62 HydrophobicContact CE3-CG 4.07Å; W55-L62 HydrophobicContact CZ3-CD1 4.25Å; W55-L62 PolarHBondContact N-O 2.84Å; W55-L62 PolarHBondContact O-N 3.18Å; L62-Y68 HydrophobicContact CD2-CE2 4.35Å; L62-T90 HydrophobicContact CD2-CG2 4.25Å; L62-T90 WeakPolarHBondContact CD2-OG1 3.37Å; L62-T90 HydrophobicContact CG-CG2 3.91Å; L62-Y92 HydrophobicContact CD2-CD1 4.18Å; L62-Y92 HydrophobicContact CD2-CG 4Å
63S94.8Very high94.7Very high5 Ų534.1 Ų34.14%0.03519%0.194CC..  trans-65.6161171.4-48.60000110.5R38 Y68R38-S63 VanDerWaalsContact CZ-O 3.29Å; R38-S63 PolarHBondContact NH1-O 2.82Å; R38-S63 PolarHBondContact NH2-O 2.92Å; S63-Y68 PolarHBondContact N-OH 2.96Å; S63-Y68 VanDerWaalsContact N-OH 3.13Å; S63-Y68 WeakPolarHBondContact O-CE2 3.33Å
64A95.1Very high94.9Very high14 Ų1432.7 Ų32.712%0.11619%0.188CC..  trans-59.6142.117500000110.8S66 I67 Y68A64-S66 VanDerWaalsContact C-N 3.26Å; A64-S66 PolarHBondContact O-N 3.29Å; A64-I67 HydrophobicContact CB-CG1 4.09Å; A64-I67 WeakPolarHBondContact O-CB 3.33Å; A64-I67 PolarHBondContact O-N 2.86Å; A64-Y68 PolarHBondContact O-N 3.16Å
65P96Very high95.2Very high7 Ų730.2 Ų30.25%0.04517%0.167CC..Hα-helixtrans-45.7-44.4172.9-30.835.4000114.5L14 L18 D52 I67 Y68 I69L14-P65 HydrophobicContact CD1-CB 4.18Å; L14-P65 HydrophobicContact CD1-CG 4Å; L14-P65 HydrophobicContact CD2-CB 4.12Å; L14-P65 HydrophobicContact CD2-CG 3.7Å; L14-P65 HydrophobicContact CG-CB 4.43Å; L14-P65 HydrophobicContact CG-CG 4.35Å; L18-P65 HydrophobicContact CD1-CB 3.41Å; L18-P65 VanDerWaalsContact CD1-CB 3.41Å; L18-P65 HydrophobicContact CD2-CB 4.4Å; D52-P65 WeakPolarHBondContact OD1-CB 3.38Å; D52-P65 WeakPolarHBondContact OD1-CD 3.3Å; P65-I67 VanDerWaalsContact C-N 3.34Å; P65-I67 PolarHBondContact O-N 2.81Å; P65-Y68 PolarHBondContact O-N 2.83Å; P65-Y68 VanDerWaalsContact O-N 3.11Å; P65-I69 PolarHBondContact O-N 2.92Å
66S96Very high95.3Very high22 Ų2232.8 Ų32.815%0.15418%0.182CC..Hα-helixtrans-59.1-41.1176.350.30000113.2D52 A64 Y68 I69 V70D52-S66 VanDerWaalsContact CG-OG 3.23Å; D52-S66 WeakPolarHBondContact OD1-CB 3.34Å; D52-S66 PolarHBondContact OD1-N 3.25Å; D52-S66 PolarHBondContact OD1-OG 2.81Å; D52-S66 WeakPolarHBondContact OD2-CB 2.99Å; D52-S66 PolarHBondContact OD2-OG 3.35Å; A64-S66 VanDerWaalsContact C-N 3.26Å; A64-S66 PolarHBondContact O-N 3.29Å; S66-Y68 VanDerWaalsContact C-N 3.33Å; S66-Y68 PolarHBondContact O-N 3.44Å; S66-I69 PolarHBondContact O-N 3.34Å; S66-V70 WeakPolarHBondContact O-CG2 3.37Å; S66-V70 PolarHBondContact O-N 2.79Å
67I96.1Very high95.6Very high21 Ų2125.7 Ų25.711%0.10816%0.156CC..Hα-helixtrans-60.9-42.1174.2-63-64.8000111A64 P65 V70 A71 F317 M334 V336 F338A64-I67 HydrophobicContact CB-CG1 4.09Å; A64-I67 WeakPolarHBondContact O-CB 3.33Å; A64-I67 PolarHBondContact O-N 2.86Å; P65-I67 VanDerWaalsContact C-N 3.34Å; P65-I67 PolarHBondContact O-N 2.81Å; I67-V70 PolarHBondContact O-N 3.37Å; I67-A71 VanDerWaalsContact O-CB 3.28Å; I67-A71 WeakPolarHBondContact O-CB 3.31Å; I67-A71 PolarHBondContact O-N 3.24Å; I67-F317 HydrophobicContact CG2-CZ 4.32Å; I67-M334 HydrophobicContact CD1-SD 3.74Å; I67-V336 HydrophobicContact CD1-CG1 3.8Å; I67-F338 HydrophobicContact CG2-CZ 3.83Å
68Y97.1Very high95.9Very high13 Ų1327.8 Ų27.85%0.05116%0.161CC..Hα-helixtrans-67.4-36.6176.1-69.5-45.1000112.4L62 S63 A64 P65 S66 A71 L72 Y92 L93L62-Y68 HydrophobicContact CD2-CE2 4.35Å; S63-Y68 PolarHBondContact N-OH 2.96Å; S63-Y68 VanDerWaalsContact N-OH 3.13Å; S63-Y68 WeakPolarHBondContact O-CE2 3.33Å; A64-Y68 PolarHBondContact O-N 3.16Å; P65-Y68 PolarHBondContact O-N 2.83Å; P65-Y68 VanDerWaalsContact O-N 3.11Å; S66-Y68 VanDerWaalsContact C-N 3.33Å; S66-Y68 PolarHBondContact O-N 3.44Å; Y68-A71 PolarHBondContact O-N 3.48Å; Y68-L72 VanDerWaalsContact O-CB 3.32Å; Y68-L72 WeakPolarHBondContact O-CB 3.07Å; Y68-L72 WeakPolarHBondContact O-CD1 3.33Å; Y68-L72 WeakPolarHBondContact O-CG 3.47Å; Y68-L72 PolarHBondContact O-N 3.27Å; Y68-Y92 AromaticContact CD2-CD1 3.9Å; Y68-Y92 HydrophobicContact CD2-CD1 3.9Å; Y68-Y92 AromaticContact CD2-CE1 3.73Å; Y68-Y92 HydrophobicContact CD2-CE1 3.73Å; Y68-Y92 AromaticContact CE2-CD1 3.6Å; Y68-Y92 HydrophobicContact CE2-CD1 3.6Å; Y68-Y92 AromaticContact CE2-CE1 3.92Å; Y68-Y92 HydrophobicContact CE2-CE1 3.92Å; Y68-Y92 HydrophobicContact CG-CE1 4.5Å; Y68-L93 HydrophobicContact CD1-CB 4.21Å; Y68-L93 HydrophobicContact CD1-CD1 3.95Å; Y68-L93 HydrophobicContact CD1-CD2 4.02Å; Y68-L93 HydrophobicContact CD1-CG 4.28Å; Y68-L93 HydrophobicContact CE1-CB 3.86Å; Y68-L93 HydrophobicContact CE1-CD1 4.45Å; Y68-L93 HydrophobicContact CE1-CD2 3.94Å; Y68-L93 HydrophobicContact CE1-CG 4.3Å
69I97.4Very high96.2Very high2 Ų229.3 Ų29.31%0.0116%0.159CC..Hα-helixtrans-62.1-48.8173.7-68.3172.5000110.9L18 L23 L25 L33 P65 S66 A71 L72 K73L18-I69 HydrophobicContact CB-CD1 3.58Å; L18-I69 HydrophobicContact CD1-CD1 3.59Å; L18-I69 HydrophobicContact CG-CD1 4.09Å; L23-I69 HydrophobicContact CB-CD1 4.3Å; L23-I69 HydrophobicContact CB-CG2 3.9Å; L23-I69 HydrophobicContact CD1-CD1 4.2Å; L25-I69 HydrophobicContact CD1-CB 4.47Å; L25-I69 HydrophobicContact CD1-CG1 4.04Å; L25-I69 HydrophobicContact CD1-CG2 4.04Å; L25-I69 HydrophobicContact CD2-CG2 3.92Å; L25-I69 HydrophobicContact CG-CG2 3.75Å; L33-I69 HydrophobicContact CD1-CG1 3.84Å; P65-I69 PolarHBondContact O-N 2.92Å; S66-I69 PolarHBondContact O-N 3.34Å; I69-A71 VanDerWaalsContact C-N 3.31Å; I69-A71 PolarHBondContact O-N 3.41Å; I69-L72 PolarHBondContact O-N 3.46Å; I69-K73 WeakPolarHBondContact O-CB 3.3Å; I69-K73 PolarHBondContact O-N 3.3Å
70V97Very high96.4Very high15 Ų1528.8 Ų28.89%0.09116%0.161CC..Hα-helixtrans-61.9-40177.7175.10000111.3L23 S66 I67 N74 F317 L333 M334L23-V70 HydrophobicContact CD2-CG2 4.3Å; S66-V70 WeakPolarHBondContact O-CG2 3.37Å; S66-V70 PolarHBondContact O-N 2.79Å; I67-V70 PolarHBondContact O-N 3.37Å; V70-N74 WeakPolarHBondContact O-CB 3.38Å; V70-N74 PolarHBondContact O-N 3.2Å; V70-N74 VanDerWaalsContact O-N 3.16Å; V70-N74 PolarHBondContact O-ND2 2.86Å; V70-F317 HydrophobicContact CB-CE1 4.4Å; V70-F317 HydrophobicContact CG1-CD1 3.96Å; V70-F317 HydrophobicContact CG1-CE1 3.92Å; V70-L333 HydrophobicContact CG1-CB 4.1Å; V70-L333 HydrophobicContact CG1-CD1 4.09Å; V70-M334 HydrophobicContact CG1-SD 4.4Å; V70-M334 HydrophobicContact CG2-CE 3.77Å; V70-M334 HydrophobicContact CG2-SD 4.3Å
71A97.9Very high96.6Very high0 Ų029.6 Ų29.60%017%0.165CC..Hα-helixtrans-63-51.9175.400000111.8I67 Y68 I69 K73 N74 L75 Y285 V310 F317I67-A71 VanDerWaalsContact O-CB 3.28Å; I67-A71 WeakPolarHBondContact O-CB 3.31Å; I67-A71 PolarHBondContact O-N 3.24Å; Y68-A71 PolarHBondContact O-N 3.48Å; I69-A71 VanDerWaalsContact C-N 3.31Å; I69-A71 PolarHBondContact O-N 3.41Å; A71-K73 PolarHBondContact O-N 3.4Å; A71-N74 PolarHBondContact O-N 3.38Å; A71-L75 HydrophobicContact CB-CD1 4.47Å; A71-L75 VanDerWaalsContact O-CB 3.29Å; A71-L75 WeakPolarHBondContact O-CB 3.37Å; A71-L75 WeakPolarHBondContact O-CD1 3.33Å; A71-L75 WeakPolarHBondContact O-CG 3.07Å; A71-L75 PolarHBondContact O-N 2.87Å; A71-Y285 HydrophobicContact CB-CD2 3.95Å; A71-Y285 HydrophobicContact CB-CE2 3.72Å; A71-V310 HydrophobicContact CB-CG1 4.4Å; A71-F317 HydrophobicContact CB-CE1 4.29Å; A71-F317 HydrophobicContact CB-CZ 3.98Å
72L98.2Very high96.8Very high3 Ų328.1 Ų28.12%0.01616%0.161CC..Hα-helixtrans-62.3-43.7-178.7-73.4163.8000112L25 T29 L33 Y68 I69 N74 D76 L93 V96 I97 L100L25-L72 HydrophobicContact CD2-CB 4.39Å; T29-L72 HydrophobicContact CG2-CB 3.74Å; T29-L72 HydrophobicContact CG2-CD1 4.2Å; T29-L72 HydrophobicContact CG2-CD2 4.45Å; T29-L72 HydrophobicContact CG2-CG 4.36Å; L33-L72 HydrophobicContact CD1-CD1 3.82Å; L33-L72 HydrophobicContact CD2-CD1 3.73Å; L33-L72 HydrophobicContact CG-CD1 3.79Å; Y68-L72 VanDerWaalsContact O-CB 3.32Å; Y68-L72 WeakPolarHBondContact O-CB 3.07Å; Y68-L72 WeakPolarHBondContact O-CD1 3.33Å; Y68-L72 WeakPolarHBondContact O-CG 3.47Å; Y68-L72 PolarHBondContact O-N 3.27Å; I69-L72 PolarHBondContact O-N 3.46Å; L72-N74 VanDerWaalsContact C-N 3.3Å; L72-N74 PolarHBondContact O-N 2.82Å; L72-D76 PolarHBondContact O-N 2.85Å; L72-L93 HydrophobicContact CD1-CD1 4.43Å; L72-L93 HydrophobicContact CD2-CD1 4.06Å; L72-L93 HydrophobicContact CG-CD1 4.18Å; L72-V96 HydrophobicContact CD1-CG1 3.99Å; L72-V96 HydrophobicContact CD2-CG1 4.35Å; L72-I97 HydrophobicContact CD2-CD1 3.44Å; L72-I97 VanDerWaalsContact CD2-CD1 3.44Å; L72-I97 HydrophobicContact CD2-CG1 4.3Å; L72-L100 HydrophobicContact CD2-CD1 4Å
73K97.4Very high97Very high119 Ų11928.1 Ų28.152%0.51716%0.161SC..Hα-helixtrans-55.7-43.8173.7-175.8178.3-177.7173.40111.9T24 L25 I69 A71T24-K73 PolarHBondContact OG1-NZ 2.85Å; L25-K73 HydrophobicContact CD2-CB 4.08Å; I69-K73 WeakPolarHBondContact O-CB 3.3Å; I69-K73 PolarHBondContact O-N 3.3Å; A71-K73 PolarHBondContact O-N 3.4Å
74N97.8Very high97.2Very high26 Ų2627.9 Ų27.914%0.13916%0.159CC..Hα-helixtrans-88.7-23.2-173.7-77.7-74000114.6V70 A71 L72 D76 V310 K319 L333V70-N74 WeakPolarHBondContact O-CB 3.38Å; V70-N74 PolarHBondContact O-N 3.2Å; V70-N74 VanDerWaalsContact O-N 3.16Å; V70-N74 PolarHBondContact O-ND2 2.86Å; A71-N74 PolarHBondContact O-N 3.38Å; L72-N74 VanDerWaalsContact C-N 3.3Å; L72-N74 PolarHBondContact O-N 2.82Å; N74-D76 VanDerWaalsContact C-N 3.34Å; N74-V310 HydrophobicContact CB-CG2 4.05Å; N74-K319 HydrophobicContact CB-CD 4.14Å; N74-K319 VanDerWaalsContact O-CE 3.26Å; N74-K319 WeakPolarHBondContact O-CE 3.41Å; N74-L333 HydrophobicContact CB-CD1 3.82Å; N74-L333 HydrophobicContact CB-CD2 4.38Å; N74-L333 WeakPolarHBondContact OD1-CD2 3.41Å
75L98.2Very high97.4Very high0 Ų027.3 Ų27.30%015%0.154CC..Hα-helixtrans-67.5-34.3169.7-76.3164.5000111.1A71 I77 F83 I97 R283 I284 Y285 V310A71-L75 HydrophobicContact CB-CD1 4.47Å; A71-L75 VanDerWaalsContact O-CB 3.29Å; A71-L75 WeakPolarHBondContact O-CB 3.37Å; A71-L75 WeakPolarHBondContact O-CD1 3.33Å; A71-L75 WeakPolarHBondContact O-CG 3.07Å; A71-L75 PolarHBondContact O-N 2.87Å; L75-I77 HydrophobicContact CB-CD1 3.71Å; L75-I77 HydrophobicContact CB-CG1 3.98Å; L75-I77 HydrophobicContact CD1-CD1 4.33Å; L75-I77 HydrophobicContact CG-CD1 4.46Å; L75-F83 HydrophobicContact CD1-CE2 4.11Å; L75-F83 HydrophobicContact CD2-CE2 4.46Å; L75-I97 HydrophobicContact CD1-CD1 4.45Å; L75-R283 WeakPolarHBondContact O-CD 3.42Å; L75-R283 PolarHBondContact O-NE 2.91Å; L75-I284 WeakPolarHBondContact CD2-O 3.15Å; L75-Y285 HydrophobicContact CD1-CD2 4.45Å; L75-V310 HydrophobicContact CD2-CB 4.02Å; L75-V310 HydrophobicContact CD2-CG2 3.83Å; L75-V310 HydrophobicContact CG-CB 4.16Å; L75-V310 HydrophobicContact CG-CG2 3.81Å
76D96.9Very high97.5Very high64 Ų6427 Ų2734%0.34215%0.152SC..  trans51.365.8-177.6173.145.1000111.1L72 N74 Q78 R283 I308L72-D76 PolarHBondContact O-N 2.85Å; N74-D76 VanDerWaalsContact C-N 3.34Å; D76-Q78 PolarHBondContact O-N 3.06Å; D76-Q78 PolarHBondContact OD1-NE2 3Å; D76-R283 PolarHBondContact O-NE 2.85Å; D76-R283 PolarHBondContact O-NH2 3.47Å; D76-R283 IonicContact OD2-NH2 2.76Å; D76-R283 PolarHBondContact OD2-NH2 3.13Å; D76-I308 HydrophobicContact CB-CD1 4.37Å
77I98.1Very high97.5Very high12 Ų1227.4 Ų27.46%0.06216%0.159CC..  trans-76.8120.9-176.1-56.3-65.9000109.6L75 F83 I97 L100 L101 R283L75-I77 HydrophobicContact CB-CD1 3.71Å; L75-I77 HydrophobicContact CB-CG1 3.98Å; L75-I77 HydrophobicContact CD1-CD1 4.33Å; L75-I77 HydrophobicContact CG-CD1 4.46Å; I77-F83 HydrophobicContact CD1-CD2 4.06Å; I77-F83 HydrophobicContact CD1-CE2 4.4Å; I77-I97 HydrophobicContact CD1-CD1 3.76Å; I77-I97 HydrophobicContact CG1-CD1 3.58Å; I77-I97 HydrophobicContact CG2-CG2 4.44Å; I77-L100 HydrophobicContact CB-CB 4.25Å; I77-L100 HydrophobicContact CB-CD1 4.24Å; I77-L100 HydrophobicContact CG2-CB 3.67Å; I77-L100 HydrophobicContact CG2-CD1 4.45Å; I77-L101 HydrophobicContact CG2-CD2 3.69Å; I77-L101 HydrophobicContact CG2-CG 4.13Å; I77-R283 HydrophobicContact CD1-CB 3.87Å; I77-R283 HydrophobicContact CD1-CG 3.86Å
78Q97Very high97.5Very high86 Ų8626.7 Ų26.740%0.40216%0.156SC..  trans-108.8148.5177.5-61.2-62.8-30.700111.1D76 G80 N81D76-Q78 PolarHBondContact O-N 3.06Å; D76-Q78 PolarHBondContact OD1-NE2 3Å; Q78-G80 PolarHBondContact O-N 3.38Å; Q78-N81 PolarHBondContact N-OD1 3.14Å; Q78-N81 WeakPolarHBondContact O-CB 3.18Å; Q78-N81 PolarHBondContact O-N 3Å; Q78-N81 VanDerWaalsContact O-N 3.13Å; Q78-N81 PolarHBondContact O-OD1 3.11Å
79P96.5Very high97.5Very high98 Ų9826.4 Ų26.464%0.63616%0.157SC*.THydrogen-bonded Turntrans-53.3134.4174-2735.1000112L101P79-L101 CarbonylContact C-O 3.38Å; P79-L101 WeakPolarHBondContact CA-O 3.32Å
80G95.9Very high97.4Very high34 Ų3426.3 Ų26.335%0.35116%0.157SC..THydrogen-bonded Turntrans82.8-1.5-177.800000116Q78 L101Q78-G80 PolarHBondContact O-N 3.38Å; G80-L101 PolarHBondContact N-O 2.92Å
81N98Very high97.5Very high23 Ų2325.6 Ų25.612%0.12315%0.152CC..  trans-62.8154173.4-72.7175.7000112.6Q78 L101 G105 V106 D282 R283Q78-N81 PolarHBondContact N-OD1 3.14Å; Q78-N81 WeakPolarHBondContact O-CB 3.18Å; Q78-N81 PolarHBondContact O-N 3Å; Q78-N81 VanDerWaalsContact O-N 3.13Å; Q78-N81 PolarHBondContact O-OD1 3.11Å; N81-L101 HydrophobicContact CB-CD2 3.65Å; N81-L101 WeakPolarHBondContact O-CD2 3.29Å; N81-G105 VanDerWaalsContact O-CA 3.22Å; N81-G105 WeakPolarHBondContact O-CA 3.5Å; N81-V106 PolarHBondContact O-N 2.97Å; N81-D282 HydrophobicContact CB-CB 4.17Å; N81-R283 HydrophobicContact CB-CG 4.36Å
82C97.9Very high97.5Very high26 Ų2625.9 Ų25.918%0.17615%0.154CC..EExtended strand (participates in β ladder)trans-91.8119.7162.2-61.20000109.5V106 Y281 D282 R283C82-V106 HydrophobicContact CB-CB 4.11Å; C82-Y281 HydrophobicContact CB-CD1 4.03Å; C82-Y281 CarbonylContact O-C 3.56Å; C82-Y281 WeakPolarHBondContact O-CB 3.32Å; C82-D282 WeakPolarHBondContact CB-OD2 3.35Å; C82-D282 PolarHBondContact N-OD2 2.88Å; C82-D282 PolarHBondContact O-N 2.84Å; C82-R283 PolarHBondContact O-N 3.27Å; C82-R283 VanDerWaalsContact O-N 3.13Å
83F98.7Very high97.5Very high0 Ų025.9 Ų25.90%015%0.153CC..EExtended strand (participates in β ladder)trans-115.2140.6-179.7175.8-108.2000112.5L75 I77 N85 I97 L101 V106 H108 Y281 R283L75-F83 HydrophobicContact CD1-CE2 4.11Å; L75-F83 HydrophobicContact CD2-CE2 4.46Å; I77-F83 HydrophobicContact CD1-CD2 4.06Å; I77-F83 HydrophobicContact CD1-CE2 4.4Å; F83-N85 HydrophobicContact CE1-CB 3.68Å; F83-N85 HydrophobicContact CZ-CB 4.02Å; F83-I97 HydrophobicContact CB-CG2 4.1Å; F83-I97 HydrophobicContact CD1-CB 4.17Å; F83-I97 HydrophobicContact CD1-CG1 4.3Å; F83-I97 HydrophobicContact CD1-CG2 3.47Å; F83-I97 VanDerWaalsContact CD1-CG2 3.47Å; F83-I97 HydrophobicContact CD2-CG2 4.3Å; F83-I97 HydrophobicContact CE1-CB 4.02Å; F83-I97 HydrophobicContact CE1-CD1 4.33Å; F83-I97 HydrophobicContact CE1-CG1 3.72Å; F83-I97 HydrophobicContact CE1-CG2 3.81Å; F83-I97 HydrophobicContact CE2-CD1 4.13Å; F83-I97 HydrophobicContact CE2-CG1 4.4Å; F83-I97 HydrophobicContact CG-CG2 3.71Å; F83-I97 HydrophobicContact CZ-CD1 3.99Å; F83-I97 HydrophobicContact CZ-CG1 3.79Å; F83-I97 HydrophobicContact CZ-CG2 4.39Å; F83-L101 HydrophobicContact CB-CD1 3.99Å; F83-L101 HydrophobicContact CB-CD2 4.49Å; F83-V106 PolarHBondContact N-O 3.37Å; F83-H108 PolarHBondContact O-N 3.45Å; F83-Y281 VanDerWaalsContact C-CD1 3.43Å; F83-Y281 WeakPolarHBondContact O-CD1 3.47Å; F83-R283 VanDerWaalsContact CA-O 3.29Å; F83-R283 WeakPolarHBondContact CA-O 3.49Å; F83-R283 HydrophobicContact CD2-CB 3.84Å
84L98.6Very high97.6Very high0 Ų020.2 Ų20.20%013%0.129CC..EExtended strand (participates in β ladder)trans-123.1128.4170.3179.965.2000111.2V86 H108 I110 Y281 R283 I284 Y285 L302L84-V86 HydrophobicContact CD2-CG2 3.84Å; L84-V86 HydrophobicContact CG-CG2 3.96Å; L84-H108 CarbonylContact C-O 3.56Å; L84-H108 WeakPolarHBondContact CA-O 3.36Å; L84-H108 HydrophobicContact CD1-CB 3.97Å; L84-I110 HydrophobicContact CD1-CD1 3.83Å; L84-I110 HydrophobicContact CD1-CG1 3.98Å; L84-Y281 HydrophobicContact CB-CD1 3.71Å; L84-Y281 HydrophobicContact CB-CD2 3.81Å; L84-Y281 HydrophobicContact CB-CE1 3.91Å; L84-Y281 HydrophobicContact CB-CE2 4.03Å; L84-Y281 HydrophobicContact CB-CG 3.67Å; L84-Y281 HydrophobicContact CD1-CE2 4.42Å; L84-Y281 HydrophobicContact CD2-CD2 3.99Å; L84-Y281 HydrophobicContact CD2-CE2 3.86Å; L84-Y281 HydrophobicContact CG-CD2 4.46Å; L84-Y281 HydrophobicContact CG-CE2 4.33Å; L84-R283 PolarHBondContact N-O 3.47Å; L84-I284 HydrophobicContact CB-CG1 4.22Å; L84-I284 HydrophobicContact CB-CG2 4.34Å; L84-I284 HydrophobicContact CD2-CG2 4.38Å; L84-I284 CarbonylContact O-C 3.56Å; L84-I284 WeakPolarHBondContact O-CA 3.46Å; L84-Y285 PolarHBondContact O-N 3.09Å; L84-L302 HydrophobicContact CD2-CD1 3.81Å
85N98.4Very high97.6Very high3 Ų319 Ų192%0.01612%0.122CC..EExtended strand (participates in β ladder)trans-107104171.2-173.3-2.1000109.9F83 S94 H108 G109 I110 Y285F83-N85 HydrophobicContact CE1-CB 3.68Å; F83-N85 HydrophobicContact CZ-CB 4.02Å; N85-S94 WeakPolarHBondContact CB-OG 3.38Å; N85-S94 PolarHBondContact ND2-OG 3.4Å; N85-H108 PolarHBondContact N-O 3.22Å; N85-G109 CarbonylContact O-C 3.59Å; N85-G109 VanDerWaalsContact O-CA 3.31Å; N85-G109 WeakPolarHBondContact O-CA 3.47Å; N85-I110 PolarHBondContact O-N 3.05Å; N85-Y285 WeakPolarHBondContact OD1-CD1 3.44Å
86V97.9Very high97.6Very high1 Ų119 Ų191%0.00612%0.122CC..EExtended strand (participates in β ladder)trans-86.7118.1177.1176.40000109.4L84 I149 I284 Y285 V286 G287 L341L84-V86 HydrophobicContact CD2-CG2 3.84Å; L84-V86 HydrophobicContact CG-CG2 3.96Å; V86-I149 HydrophobicContact CG1-CB 3.85Å; V86-I149 HydrophobicContact CG1-CG1 3.98Å; V86-I149 HydrophobicContact CG1-CG2 3.62Å; V86-I149 HydrophobicContact CG2-CD1 4.2Å; V86-I149 HydrophobicContact CG2-CG1 4.06Å; V86-I284 HydrophobicContact CG2-CG2 4.35Å; V86-Y285 PolarHBondContact N-O 3.41Å; V86-V286 HydrophobicContact CB-CB 4.37Å; V86-V286 HydrophobicContact CB-CG1 4.13Å; V86-V286 HydrophobicContact CB-CG2 4.15Å; V86-V286 HydrophobicContact CG1-CG1 3.99Å; V86-V286 HydrophobicContact CG2-CG2 4.47Å; V86-V286 WeakPolarHBondContact O-CA 3.47Å; V86-G287 PolarHBondContact O-N 3.36Å; V86-L341 HydrophobicContact CG1-CD1 4.21Å
87G96.5Very high97.7Very high29 Ų2915.9 Ų15.930%0.29911%0.106SC..THydrogen-bonded Turntrans76.957.3-168.700000111G89 I110G87-G89 PolarHBondContact O-N 2.92Å; G87-I110 WeakPolarHBondContact CA-O 3.39Å; G87-I110 PolarHBondContact N-O 3.48Å
88S96.9Very high97.7Very high7 Ų715.3 Ų15.35%0.04910%0.103CC..  trans-66.8-15.2-172.6560000115T90 G91 I110S88-T90 PolarHBondContact O-N 2.78Å; S88-G91 PolarHBondContact O-N 2.97Å; S88-I110 PolarHBondContact N-O 2.83Å
89G95.7Very high97.7Very high6 Ų611.4 Ų11.46%0.0628%0.084CC..THydrogen-bonded Turntrans58.2-124.7170.700000112.5G87 G91 E111G87-G89 PolarHBondContact O-N 2.92Å; G89-G91 PolarHBondContact O-N 3.21Å; G89-E111 WeakPolarHBondContact CA-OE2 3.47Å; G89-E111 PolarHBondContact N-OE2 2.88Å
90T97Very high97.8Very high1 Ų17.2 Ų7.21%0.0066%0.057CC..THydrogen-bonded Turntrans-69.7-13.4177.860.50000114.4Y41 W55 L60 L62 S88 Y92 F119 S120Y41-T90 WeakPolarHBondContact CD1-O 3.3Å; W55-T90 HydrophobicContact CZ3-CG2 4.14Å; L60-T90 HydrophobicContact CB-CG2 4.3Å; L60-T90 HydrophobicContact CD2-CG2 4.27Å; L62-T90 HydrophobicContact CD2-CG2 4.25Å; L62-T90 WeakPolarHBondContact CD2-OG1 3.37Å; L62-T90 HydrophobicContact CG-CG2 3.91Å; S88-T90 PolarHBondContact O-N 2.78Å; T90-Y92 VanDerWaalsContact C-N 3.34Å; T90-Y92 PolarHBondContact OG1-N 3.46Å; T90-F119 HydrophobicContact CG2-CD1 4.38Å; T90-F119 HydrophobicContact CG2-CE1 3.85Å; T90-S120 WeakPolarHBondContact O-CA 3.19Å; T90-S120 VanDerWaalsContact O-CB 3.29Å; T90-S120 WeakPolarHBondContact O-CB 3.29Å
91G97.8Very high97.9Very high0 Ų05.7 Ų5.70%04%0.04CC..SBendtrans83.8-2.1-174.100000115.8S88 G89 L93 S94 T95S88-G91 PolarHBondContact O-N 2.97Å; G89-G91 PolarHBondContact O-N 3.21Å; G91-L93 PolarHBondContact O-N 2.56Å; G91-S94 PolarHBondContact O-N 2.92Å; G91-T95 PolarHBondContact O-N 3.38Å; G91-T95 PolarHBondContact O-OG1 3.47Å; G91-T95 VanDerWaalsContact O-OG1 3.1Å
92Y98.4Very high97.7Very high6 Ų65 Ų52%0.0244%0.039CC..Hα-helixtrans-51-57.8-179.8172.3-104.3000112.9L33 V36 R38 Y41 L62 Y68 T90 S94 T95 V96L33-Y92 HydrophobicContact CD2-CE1 4.47Å; V36-Y92 HydrophobicContact CB-CE2 4.27Å; V36-Y92 HydrophobicContact CG1-CD2 3.88Å; V36-Y92 HydrophobicContact CG1-CE2 3.75Å; V36-Y92 WeakPolarHBondContact O-CE2 3.34Å; R38-Y92 HydrophobicContact CB-CE2 3.9Å; R38-Y92 HydrophobicContact CG-CE2 4.45Å; Y41-Y92 AromaticContact CD2-CD2 3.62Å; Y41-Y92 HydrophobicContact CD2-CD2 3.62Å; Y41-Y92 HydrophobicContact CD2-CG 4.42Å; Y41-Y92 HydrophobicContact CE2-CD2 4.25Å; Y41-Y92 AromaticContact CG-CD2 4Å; Y41-Y92 HydrophobicContact CG-CD2 4Å; Y41-Y92 HydrophobicContact CG-CG 4.4Å; L62-Y92 HydrophobicContact CD2-CD1 4.18Å; L62-Y92 HydrophobicContact CD2-CG 4Å; Y68-Y92 AromaticContact CD2-CD1 3.9Å; Y68-Y92 HydrophobicContact CD2-CD1 3.9Å; Y68-Y92 AromaticContact CD2-CE1 3.73Å; Y68-Y92 HydrophobicContact CD2-CE1 3.73Å; Y68-Y92 AromaticContact CE2-CD1 3.6Å; Y68-Y92 HydrophobicContact CE2-CD1 3.6Å; Y68-Y92 AromaticContact CE2-CE1 3.92Å; Y68-Y92 HydrophobicContact CE2-CE1 3.92Å; Y68-Y92 HydrophobicContact CG-CE1 4.5Å; T90-Y92 VanDerWaalsContact C-N 3.34Å; T90-Y92 PolarHBondContact OG1-N 3.46Å; Y92-S94 VanDerWaalsContact C-N 3.31Å; Y92-S94 PolarHBondContact O-N 3.03Å; Y92-T95 WeakPolarHBondContact O-CB 3.03Å; Y92-T95 PolarHBondContact O-N 3.47Å; Y92-V96 HydrophobicContact CE1-CG2 4.16Å; Y92-V96 HydrophobicContact CE2-CG2 4.19Å; Y92-V96 PolarHBondContact O-N 3.32Å; Y92-V96 VanDerWaalsContact O-N 3.07Å
93L98.4Very high97.3Very high2 Ų27.6 Ų7.61%0.015%0.046CC..Hα-helixtrans-59.2-43.2-179.4178.363.5000111.2Y68 L72 G91 T95 V96 I97 Y285Y68-L93 HydrophobicContact CD1-CB 4.21Å; Y68-L93 HydrophobicContact CD1-CD1 3.95Å; Y68-L93 HydrophobicContact CD1-CD2 4.02Å; Y68-L93 HydrophobicContact CD1-CG 4.28Å; Y68-L93 HydrophobicContact CE1-CB 3.86Å; Y68-L93 HydrophobicContact CE1-CD1 4.45Å; Y68-L93 HydrophobicContact CE1-CD2 3.94Å; Y68-L93 HydrophobicContact CE1-CG 4.3Å; L72-L93 HydrophobicContact CD1-CD1 4.43Å; L72-L93 HydrophobicContact CD2-CD1 4.06Å; L72-L93 HydrophobicContact CG-CD1 4.18Å; G91-L93 PolarHBondContact O-N 2.56Å; L93-T95 PolarHBondContact O-N 3.48Å; L93-V96 PolarHBondContact O-N 2.99Å; L93-I97 HydrophobicContact CD1-CD1 4.35Å; L93-I97 HydrophobicContact CD1-CG1 4.04Å; L93-I97 HydrophobicContact CG-CG1 4.1Å; L93-I97 WeakPolarHBondContact O-CB 3.39Å; L93-I97 WeakPolarHBondContact O-CG1 3.44Å; L93-I97 PolarHBondContact O-N 3.28Å; L93-Y285 HydrophobicContact CD2-CD1 3.5Å; L93-Y285 HydrophobicContact CD2-CD2 4.08Å; L93-Y285 HydrophobicContact CD2-CE1 3.67Å; L93-Y285 HydrophobicContact CD2-CE2 4.23Å; L93-Y285 HydrophobicContact CD2-CG 3.7Å
94S98.6Very high96.8Very high0 Ų012.6 Ų12.60%07%0.072CC..Hα-helixtrans-61.4-30.5177.4-70.10000112.7N85 G91 Y92 G98 N107N85-S94 WeakPolarHBondContact CB-OG 3.38Å; N85-S94 PolarHBondContact ND2-OG 3.4Å; G91-S94 PolarHBondContact O-N 2.92Å; Y92-S94 VanDerWaalsContact C-N 3.31Å; Y92-S94 PolarHBondContact O-N 3.03Å; S94-G98 PolarHBondContact O-N 3.17Å; S94-N107 PolarHBondContact O-ND2 3.22Å
95T98.4Very high96.6Very high0 Ų013 Ų130%08%0.077CC..Hα-helixtrans-72.9-44.3174-54.30000111.5V36 Y41 G91 Y92 L93 I97 G98 L99 F127 F139V36-T95 HydrophobicContact CG1-CG2 4Å; V36-T95 HydrophobicContact CG2-CG2 4.02Å; Y41-T95 WeakPolarHBondContact OH-CB 3.35Å; Y41-T95 WeakPolarHBondContact OH-CG2 3.4Å; Y41-T95 PolarHBondContact OH-OG1 2.99Å; G91-T95 PolarHBondContact O-N 3.38Å; G91-T95 PolarHBondContact O-OG1 3.47Å; G91-T95 VanDerWaalsContact O-OG1 3.1Å; Y92-T95 WeakPolarHBondContact O-CB 3.03Å; Y92-T95 PolarHBondContact O-N 3.47Å; L93-T95 PolarHBondContact O-N 3.48Å; T95-I97 PolarHBondContact O-N 3.45Å; T95-G98 PolarHBondContact O-N 2.87Å; T95-G98 VanDerWaalsContact O-N 3.1Å; T95-L99 PolarHBondContact O-N 3.46Å; T95-F127 HydrophobicContact CG2-CD1 3.63Å; T95-F127 HydrophobicContact CG2-CD2 4.04Å; T95-F127 HydrophobicContact CG2-CE1 3.58Å; T95-F127 HydrophobicContact CG2-CE2 4Å; T95-F127 HydrophobicContact CG2-CG 3.86Å; T95-F127 HydrophobicContact CG2-CZ 3.77Å; T95-F139 HydrophobicContact CG2-CE2 4.17Å; T95-F139 HydrophobicContact CG2-CZ 4.13Å; T95-F139 WeakPolarHBondContact O-CE2 3.42Å
96V98.5Very high96.5Very high0 Ų014 Ų140%08%0.083CC..Hα-helixtrans-56.7-49.8173.4177.30000110.8A32 L33 V36 L72 Y92 L93 G98 L99A32-V96 HydrophobicContact CB-CG1 4.17Å; L33-V96 HydrophobicContact CD2-CG1 3.92Å; L33-V96 HydrophobicContact CD2-CG2 4.01Å; L33-V96 HydrophobicContact CG-CG1 4.12Å; V36-V96 HydrophobicContact CB-CG2 3.77Å; V36-V96 HydrophobicContact CG1-CG2 4.09Å; V36-V96 HydrophobicContact CG2-CG2 3.93Å; L72-V96 HydrophobicContact CD1-CG1 3.99Å; L72-V96 HydrophobicContact CD2-CG1 4.35Å; Y92-V96 HydrophobicContact CE1-CG2 4.16Å; Y92-V96 HydrophobicContact CE2-CG2 4.19Å; Y92-V96 PolarHBondContact O-N 3.32Å; Y92-V96 VanDerWaalsContact O-N 3.07Å; L93-V96 PolarHBondContact O-N 2.99Å; V96-G98 PolarHBondContact O-N 3.29Å; V96-L99 PolarHBondContact O-N 2.98Å; V96-L99 VanDerWaalsContact O-N 3.13Å
97I98.6Very high96.5Very high0 Ų014.1 Ų14.10%08%0.083CC..Hα-helixtrans-58.9-37.4177.3-62.9-77.4000111.1L72 L75 I77 F83 L93 T95 L99 L100 L101L72-I97 HydrophobicContact CD2-CD1 3.44Å; L72-I97 VanDerWaalsContact CD2-CD1 3.44Å; L72-I97 HydrophobicContact CD2-CG1 4.3Å; L75-I97 HydrophobicContact CD1-CD1 4.45Å; I77-I97 HydrophobicContact CD1-CD1 3.76Å; I77-I97 HydrophobicContact CG1-CD1 3.58Å; I77-I97 HydrophobicContact CG2-CG2 4.44Å; F83-I97 HydrophobicContact CB-CG2 4.1Å; F83-I97 HydrophobicContact CD1-CB 4.17Å; F83-I97 HydrophobicContact CD1-CG1 4.3Å; F83-I97 HydrophobicContact CD1-CG2 3.47Å; F83-I97 VanDerWaalsContact CD1-CG2 3.47Å; F83-I97 HydrophobicContact CD2-CG2 4.3Å; F83-I97 HydrophobicContact CE1-CB 4.02Å; F83-I97 HydrophobicContact CE1-CD1 4.33Å; F83-I97 HydrophobicContact CE1-CG1 3.72Å; F83-I97 HydrophobicContact CE1-CG2 3.81Å; F83-I97 HydrophobicContact CE2-CD1 4.13Å; F83-I97 HydrophobicContact CE2-CG1 4.4Å; F83-I97 HydrophobicContact CG-CG2 3.71Å; F83-I97 HydrophobicContact CZ-CD1 3.99Å; F83-I97 HydrophobicContact CZ-CG1 3.79Å; F83-I97 HydrophobicContact CZ-CG2 4.39Å; L93-I97 HydrophobicContact CD1-CD1 4.35Å; L93-I97 HydrophobicContact CD1-CG1 4.04Å; L93-I97 HydrophobicContact CG-CG1 4.1Å; L93-I97 WeakPolarHBondContact O-CB 3.39Å; L93-I97 WeakPolarHBondContact O-CG1 3.44Å; L93-I97 PolarHBondContact O-N 3.28Å; T95-I97 PolarHBondContact O-N 3.45Å; I97-L99 PolarHBondContact O-N 2.98Å; I97-L100 PolarHBondContact O-N 3.44Å; I97-L101 HydrophobicContact CG2-CD1 3.62Å; I97-L101 HydrophobicContact CG2-CD2 4.49Å; I97-L101 HydrophobicContact CG2-CG 3.75Å; I97-L101 WeakPolarHBondContact O-CG 3.36Å; I97-L101 PolarHBondContact O-N 2.74Å
98G98.3Very high96.6Very high0 Ų013.4 Ų13.40%07%0.072CC..Hα-helixtrans-56.6-35.2177.100000113.8S94 T95 V96 N107 F139 C140S94-G98 PolarHBondContact O-N 3.17Å; T95-G98 PolarHBondContact O-N 2.87Å; T95-G98 VanDerWaalsContact O-N 3.1Å; V96-G98 PolarHBondContact O-N 3.29Å; G98-N107 WeakPolarHBondContact CA-ND2 3.22Å; G98-N107 PolarHBondContact N-ND2 3.11Å; G98-F139 CarbonylContact O-C 3.56Å; G98-F139 WeakPolarHBondContact O-CA 3.18Å; G98-C140 WeakPolarHBondContact CA-O 3.49Å; G98-C140 PolarHBondContact O-N 2.94Å
99L97.7Very high96.6Very high3 Ų313.1 Ų13.12%0.0167%0.07CC..Hα-helixtrans-74.1-26176.4-66.9172.8000113.2A32 L35 V36 T95 V96 I97 F127 A133 R137 F139A32-L99 HydrophobicContact CB-CB 4.13Å; A32-L99 HydrophobicContact CB-CD1 4.4Å; L35-L99 HydrophobicContact CB-CD1 3.9Å; L35-L99 HydrophobicContact CD1-CD1 4.1Å; V36-L99 HydrophobicContact CG2-CD1 3.58Å; T95-L99 PolarHBondContact O-N 3.46Å; V96-L99 PolarHBondContact O-N 2.98Å; V96-L99 VanDerWaalsContact O-N 3.13Å; I97-L99 PolarHBondContact O-N 2.98Å; L99-F127 HydrophobicContact CD1-CZ 4.39Å; L99-F127 HydrophobicContact CD2-CZ 4.44Å; L99-A133 HydrophobicContact CD1-CB 4.01Å; L99-A133 HydrophobicContact CD2-CB 3.89Å; L99-R137 HydrophobicContact CB-CG 4.38Å; L99-R137 HydrophobicContact CD2-CG 3.78Å; L99-R137 PolarHBondContact O-NE 3.03Å; L99-F139 HydrophobicContact CD2-CB 4.4Å; L99-F139 HydrophobicContact CD2-CD2 3.65Å; L99-F139 HydrophobicContact CD2-CE2 4.35Å; L99-F139 HydrophobicContact CD2-CG 4.37Å; L99-F139 HydrophobicContact CG-CD2 3.93Å; L99-F139 HydrophobicContact CG-CE2 4.28Å
100L97.9Very high96.7Very high11 Ų1113 Ų136%0.0587%0.068CC..Hα-helixtrans-83.9-39.5179.2-60.1174.9000112.2T29 A32 L72 I77 I97 G102T29-L100 HydrophobicContact CG2-CD1 4.12Å; A32-L100 HydrophobicContact CB-CD2 3.6Å; A32-L100 HydrophobicContact CB-CG 3.92Å; L72-L100 HydrophobicContact CD2-CD1 4Å; I77-L100 HydrophobicContact CB-CB 4.25Å; I77-L100 HydrophobicContact CB-CD1 4.24Å; I77-L100 HydrophobicContact CG2-CB 3.67Å; I77-L100 HydrophobicContact CG2-CD1 4.45Å; I97-L100 PolarHBondContact O-N 3.44Å; L100-G102 VanDerWaalsContact C-N 3.26Å; L100-G102 PolarHBondContact O-N 2.95Å
101L97.8Very high96.7Very high1 Ų113.6 Ų13.61%0.0057%0.071CC..Hα-helixtrans-65.5-28.3177.7-71.4179.5000113.4I77 P79 G80 N81 F83 I97 V106 N107 C140I77-L101 HydrophobicContact CG2-CD2 3.69Å; I77-L101 HydrophobicContact CG2-CG 4.13Å; P79-L101 CarbonylContact C-O 3.38Å; P79-L101 WeakPolarHBondContact CA-O 3.32Å; G80-L101 PolarHBondContact N-O 2.92Å; N81-L101 HydrophobicContact CB-CD2 3.65Å; N81-L101 WeakPolarHBondContact O-CD2 3.29Å; F83-L101 HydrophobicContact CB-CD1 3.99Å; F83-L101 HydrophobicContact CB-CD2 4.49Å; I97-L101 HydrophobicContact CG2-CD1 3.62Å; I97-L101 HydrophobicContact CG2-CD2 4.49Å; I97-L101 HydrophobicContact CG2-CG 3.75Å; I97-L101 WeakPolarHBondContact O-CG 3.36Å; I97-L101 PolarHBondContact O-N 2.74Å; L101-V106 WeakPolarHBondContact CD1-O 3.36Å; L101-N107 HydrophobicContact CD1-CB 3.71Å; L101-C140 HydrophobicContact CB-CB 3.89Å; L101-C140 HydrophobicContact CD1-CB 4.27Å
102G93.7Very high96.6Very high9 Ų916.4 Ų16.49%0.0939%0.088CC..G310 helixtrans59.8-174.6-173.300000113.1L100 N104 G105 C140L100-G102 VanDerWaalsContact C-N 3.26Å; L100-G102 PolarHBondContact O-N 2.95Å; G102-N104 PolarHBondContact O-N 2.82Å; G102-G105 PolarHBondContact O-N 3.27Å; G102-C140 VanDerWaalsContact O-CB 3.29Å; G102-C140 WeakPolarHBondContact O-CB 3.35Å
103Y89.5Confident96.4Very high80 Ų8018.9 Ų18.931%0.31410%0.101SC..G310 helixtrans-73.9-6-162.972.9-99.3000116.2S138 R369Y103-S138 WeakPolarHBondContact CD1-OG 3.48Å; Y103-R369 PolarHBondContact O-NH1 3.11Å
104N88.6Confident96.2Very high105 Ų10522 Ų2256%0.56112%0.119SC*.G310 helixtrans-104.6-12.4-178.6-78.6-23.8000113.6G102G102-N104 PolarHBondContact O-N 2.82Å
105G94.6Very high96.1Very high9 Ų927.6 Ų27.69%0.09314%0.143CC..SBendtrans-76.3174.5179.300000113.1N81 G102 C140N81-G105 VanDerWaalsContact O-CA 3.22Å; N81-G105 WeakPolarHBondContact O-CA 3.5Å; G102-G105 PolarHBondContact O-N 3.27Å; G105-C140 PolarHBondContact O-SG 2.98Å
106V96.2Very high96.1Very high25 Ų2527.9 Ų27.915%0.15214%0.144CC..EExtended strand (participates in β ladder)trans-118.5133.3171.7176.10000108.3N81 C82 F83 L101 H108N81-V106 PolarHBondContact O-N 2.97Å; C82-V106 HydrophobicContact CB-CB 4.11Å; F83-V106 PolarHBondContact N-O 3.37Å; L101-V106 WeakPolarHBondContact CD1-O 3.36Å; V106-H108 VanDerWaalsContact CG1-CE1 3.43Å; V106-H108 WeakPolarHBondContact CG1-CE1 3.38Å; V106-H108 VanDerWaalsContact CG1-NE2 3.33Å; V106-H108 WeakPolarHBondContact CG1-NE2 3.21Å
107N97.9Very high96Very high2 Ų227.9 Ų27.91%0.01114%0.144CC..EExtended strand (participates in β ladder)trans-133.692.9-172.8-172.2-0.2000109.3S94 G98 L101 C140 P142 V143S94-N107 PolarHBondContact O-ND2 3.22Å; G98-N107 WeakPolarHBondContact CA-ND2 3.22Å; G98-N107 PolarHBondContact N-ND2 3.11Å; L101-N107 HydrophobicContact CD1-CB 3.71Å; N107-C140 HydrophobicContact CB-CB 4.24Å; N107-C140 WeakPolarHBondContact CB-SG 3.47Å; N107-C140 PolarHBondContact ND2-O 3.41Å; N107-P142 HydrophobicContact CB-CB 4.48Å; N107-P142 CarbonylContact O-C 3.45Å; N107-P142 WeakPolarHBondContact O-CA 3.4Å; N107-V143 PolarHBondContact O-N 2.77Å
108H98.1Very high96Very high15 Ų1530.6 Ų30.67%0.06916%0.159CC..EExtended strand (participates in β ladder)trans-106.6138.7-179.2-65.6166.2000110.7F83 L84 N85 V106 V143 Y281F83-H108 PolarHBondContact O-N 3.45Å; L84-H108 CarbonylContact C-O 3.56Å; L84-H108 WeakPolarHBondContact CA-O 3.36Å; L84-H108 HydrophobicContact CD1-CB 3.97Å; N85-H108 PolarHBondContact N-O 3.22Å; V106-H108 VanDerWaalsContact CG1-CE1 3.43Å; V106-H108 WeakPolarHBondContact CG1-CE1 3.38Å; V106-H108 VanDerWaalsContact CG1-NE2 3.33Å; V106-H108 WeakPolarHBondContact CG1-NE2 3.21Å; H108-V143 WeakPolarHBondContact CA-O 3.04Å; H108-Y281 HydrophobicContact CB-CE1 4.15Å; H108-Y281 AromaticContact ND1-CE1 3.58Å; H108-Y281 AromaticContact ND1-CZ 3.67Å; H108-Y281 PolarHBondContact ND1-OH 3.21Å
109G98.1Very high95.9Very high0 Ų031.3 Ų31.30%016%0.162CC..EExtended strand (participates in β ladder)trans-116.5134166.100000109.7N85 V143 L145N85-G109 CarbonylContact O-C 3.59Å; N85-G109 VanDerWaalsContact O-CA 3.31Å; N85-G109 WeakPolarHBondContact O-CA 3.47Å; G109-V143 PolarHBondContact N-O 2.89Å; G109-L145 PolarHBondContact O-N 2.81Å
110I97.3Very high95.9Very high3 Ų331.2 Ų31.22%0.01516%0.161CC..EExtended strand (participates in β ladder)trans-111.6125.8170.5-67.8171.6000107.4L84 N85 G87 S88 L145 G147 I149 L152 W278 V352L84-I110 HydrophobicContact CD1-CD1 3.83Å; L84-I110 HydrophobicContact CD1-CG1 3.98Å; N85-I110 PolarHBondContact O-N 3.05Å; G87-I110 WeakPolarHBondContact CA-O 3.39Å; G87-I110 PolarHBondContact N-O 3.48Å; S88-I110 PolarHBondContact N-O 2.83Å; I110-L145 WeakPolarHBondContact CA-O 3.46Å; I110-L145 HydrophobicContact CG1-CB 4.29Å; I110-L145 HydrophobicContact CG1-CD1 4.36Å; I110-G147 WeakPolarHBondContact CG2-O 3.42Å; I110-I149 HydrophobicContact CD1-CD1 3.91Å; I110-I149 HydrophobicContact CG2-CB 4.42Å; I110-L152 HydrophobicContact CD1-CD2 4.15Å; I110-W278 HydrophobicContact CD1-CZ2 4.21Å; I110-V352 HydrophobicContact CD1-CG1 4.14Å; I110-V352 HydrophobicContact CG1-CG1 4.16Å; I110-V352 HydrophobicContact CG2-CG1 4.13Å
111E96.9Very high95.9Very high14 Ų1434.8 Ų34.87%0.06517%0.174CC..EExtended strand (participates in β ladder)trans-137.7133.8-176.3169.259.1-119.300110.7G89 N113 N116 V117 L145 H146 G147G89-E111 WeakPolarHBondContact CA-OE2 3.47Å; G89-E111 PolarHBondContact N-OE2 2.88Å; E111-N113 PolarHBondContact OE1-N 3.08Å; E111-N116 HydrophobicContact CG-CB 3.6Å; E111-N116 PolarHBondContact OE1-ND2 3.36Å; E111-V117 HydrophobicContact CB-CG2 3.67Å; E111-V117 HydrophobicContact CG-CG2 3.73Å; E111-L145 PolarHBondContact N-O 3.03Å; E111-H146 WeakPolarHBondContact O-CA 3.49Å; E111-H146 PolarHBondContact O-CD2 3.46Å; E111-G147 CarbonylContact C-O 3.59Å; E111-G147 PolarHBondContact O-N 2.89Å
112V94.9Very high95.9Very high60 Ų6040.6 Ų40.636%0.36420%0.201SC..SBendtrans-83-15.1-170.467.70000112.9H146 N148 L342V112-H146 PolarHBondContact O-NE2 3.08Å; V112-N148 HydrophobicContact CG2-CB 4.03Å; V112-L342 HydrophobicContact CG1-CD1 3.93Å; V112-L342 HydrophobicContact CG2-CD1 4.34Å
113N94.2Very high96.1Very high57 Ų5742 Ų4231%0.30521%0.205SC..  trans-112.6112.7177.3-171-22.6000111.5S59 E111 F115 N116 V117S59-N113 WeakPolarHBondContact CB-ND2 3.16Å; S59-N113 PolarHBondContact OG-ND2 3.38Å; S59-N113 VanDerWaalsContact OG-ND2 3.09Å; E111-N113 PolarHBondContact OE1-N 3.08Å; N113-F115 PolarHBondContact O-N 3Å; N113-F115 VanDerWaalsContact O-N 3.16Å; N113-F115 WeakPolarHBondContact OD1-CB 3.33Å; N113-F115 PolarHBondContact OD1-N 2.66Å; N113-N116 HydrophobicContact CB-CB 4.28Å; N113-N116 WeakPolarHBondContact O-CA 3.37Å; N113-N116 WeakPolarHBondContact O-CB 3.34Å; N113-N116 PolarHBondContact O-N 2.8Å; N113-V117 PolarHBondContact O-N 3.24Å; N113-V117 VanDerWaalsContact O-N 3.08Å
114D95Very high96.4Very high69 Ų6939 Ų3937%0.36920%0.195SC..Hα-helixtrans-54.3-31.4177.3-171.458.6000113.9V117 N118 H146D114-V117 WeakPolarHBondContact O-CB 3.08Å; D114-V117 PolarHBondContact O-N 2.81Å; D114-N118 PolarHBondContact O-N 2.89Å; D114-N118 PolarHBondContact O-ND2 2.71Å; D114-N118 PolarHBondContact OD2-ND2 3.31Å; D114-N118 VanDerWaalsContact OD2-ND2 3.14Å; D114-H146 PolarHBondContact N-CD2 3.16Å; D114-H146 VanDerWaalsContact N-CD2 3.33Å; D114-H146 PolarHBondContact N-NE2 2.87Å
115F96.5Very high96.8Very high117 Ų11738.7 Ų38.751%0.51320%0.197SC..Hα-helixtrans-63.2-43.7172.8174.3-98.7000111.9L60 N113 V117 N118 F119L60-F115 HydrophobicContact CD1-CE1 3.98Å; L60-F115 HydrophobicContact CD2-CE1 4.25Å; L60-F115 HydrophobicContact CG-CE1 3.97Å; N113-F115 PolarHBondContact O-N 3Å; N113-F115 VanDerWaalsContact O-N 3.16Å; N113-F115 WeakPolarHBondContact OD1-CB 3.33Å; N113-F115 PolarHBondContact OD1-N 2.66Å; F115-V117 VanDerWaalsContact C-N 3.33Å; F115-N118 PolarHBondContact O-N 2.78Å; F115-F119 WeakPolarHBondContact O-CB 3.34Å; F115-F119 PolarHBondContact O-N 2.9Å
116N97.1Very high96.9Very high6 Ų640.9 Ų40.93%0.03221%0.208CC..Hα-helixtrans-65.2-39.3176.5-68.23.6000110.8S59 L60 E111 N113 F119 S120S59-N116 WeakPolarHBondContact CB-OD1 3.16Å; S59-N116 PolarHBondContact O-ND2 3.18Å; S59-N116 PolarHBondContact O-OD1 2.93Å; S59-N116 PolarHBondContact OG-OD1 3.01Å; L60-N116 HydrophobicContact CD2-CB 4.29Å; L60-N116 WeakPolarHBondContact CD2-OD1 3.43Å; E111-N116 HydrophobicContact CG-CB 3.6Å; E111-N116 PolarHBondContact OE1-ND2 3.36Å; N113-N116 HydrophobicContact CB-CB 4.28Å; N113-N116 WeakPolarHBondContact O-CA 3.37Å; N113-N116 WeakPolarHBondContact O-CB 3.34Å; N113-N116 PolarHBondContact O-N 2.8Å; N116-F119 PolarHBondContact O-N 3.38Å; N116-S120 WeakPolarHBondContact O-CB 3.25Å; N116-S120 PolarHBondContact O-N 3.01Å; N116-S120 PolarHBondContact O-OG 3.12Å
117V97.4Very high96.9Very high0 Ų040.5 Ų40.50%020%0.204CC..Hα-helixtrans-60.4-45.8175.2176.20000111.5E111 N113 D114 F115 S120 R121 F144 H146E111-V117 HydrophobicContact CB-CG2 3.67Å; E111-V117 HydrophobicContact CG-CG2 3.73Å; N113-V117 PolarHBondContact O-N 3.24Å; N113-V117 VanDerWaalsContact O-N 3.08Å; D114-V117 WeakPolarHBondContact O-CB 3.08Å; D114-V117 PolarHBondContact O-N 2.81Å; F115-V117 VanDerWaalsContact C-N 3.33Å; V117-S120 PolarHBondContact O-N 3.01Å; V117-S120 PolarHBondContact O-OG 3.32Å; V117-R121 VanDerWaalsContact O-CG 3.25Å; V117-R121 WeakPolarHBondContact O-CG 3.28Å; V117-R121 PolarHBondContact O-N 3.05Å; V117-R121 VanDerWaalsContact O-N 3.08Å; V117-F144 HydrophobicContact CG1-CB 4.04Å; V117-H146 HydrophobicContact CG2-CB 4.09Å
118N97.6Very high96.8Very high57 Ų5743.9 Ų43.931%0.30522%0.222SC..Hα-helixtrans-71-40.7-180-67.2-40.9000111.3D114 F115 S120 R121 E122D114-N118 PolarHBondContact O-N 2.89Å; D114-N118 PolarHBondContact O-ND2 2.71Å; D114-N118 PolarHBondContact OD2-ND2 3.31Å; D114-N118 VanDerWaalsContact OD2-ND2 3.14Å; F115-N118 PolarHBondContact O-N 2.78Å; N118-S120 VanDerWaalsContact C-N 3.32Å; N118-S120 PolarHBondContact O-N 3.22Å; N118-R121 PolarHBondContact O-N 2.85Å; N118-R121 PolarHBondContact OD1-NH1 2.98Å; N118-R121 VanDerWaalsContact OD1-NH1 3.11Å; N118-E122 WeakPolarHBondContact O-CG 3.22Å; N118-E122 PolarHBondContact O-N 2.94Å
119F97.6Very high96.6Very high15 Ų1546.2 Ų46.27%0.06624%0.24CC..Hα-helixtrans-54.1-46.1170.5-177-81.6000111.9L60 T90 F115 N116 E122 H123L60-F119 HydrophobicContact CD1-CD1 4.42Å; L60-F119 HydrophobicContact CD1-CD2 3.62Å; L60-F119 HydrophobicContact CD1-CE1 4.32Å; L60-F119 HydrophobicContact CD1-CE2 3.48Å; L60-F119 VanDerWaalsContact CD1-CE2 3.48Å; L60-F119 HydrophobicContact CD1-CG 4.1Å; L60-F119 HydrophobicContact CD1-CZ 3.86Å; L60-F119 HydrophobicContact CD2-CB 3.97Å; L60-F119 HydrophobicContact CD2-CD1 3.71Å; L60-F119 HydrophobicContact CD2-CD2 4.04Å; L60-F119 HydrophobicContact CD2-CE1 4.19Å; L60-F119 HydrophobicContact CD2-CE2 4.46Å; L60-F119 HydrophobicContact CD2-CG 3.63Å; L60-F119 HydrophobicContact CG-CD2 4.49Å; T90-F119 HydrophobicContact CG2-CD1 4.38Å; T90-F119 HydrophobicContact CG2-CE1 3.85Å; F115-F119 WeakPolarHBondContact O-CB 3.34Å; F115-F119 PolarHBondContact O-N 2.9Å; N116-F119 PolarHBondContact O-N 3.38Å; F119-E122 PolarHBondContact O-N 3Å; F119-H123 AromaticContact CD1-CE1 3.89Å; F119-H123 AromaticContact CD1-ND1 3.47Å; F119-H123 WeakPolarHBondContact CD1-ND1 3.32Å; F119-H123 AromaticContact CD2-CE1 3.56Å; F119-H123 AromaticContact CD2-ND1 3.88Å; F119-H123 AromaticContact CE1-CE1 3.55Å; F119-H123 AromaticContact CE1-CG 3.95Å; F119-H123 AromaticContact CE1-ND1 3.38Å; F119-H123 WeakPolarHBondContact CE1-ND1 3.47Å; F119-H123 AromaticContact CE2-CE1 3.2Å; F119-H123 WeakPolarHBondContact CE2-CE1 3.12Å; F119-H123 AromaticContact CE2-ND1 3.82Å; F119-H123 AromaticContact CE2-NE2 3.94Å; F119-H123 AromaticContact CG-CE1 3.89Å; F119-H123 AromaticContact CG-ND1 3.72Å; F119-H123 AromaticContact CZ-CE1 3.2Å; F119-H123 WeakPolarHBondContact CZ-CE1 3.45Å; F119-H123 AromaticContact CZ-ND1 3.58Å; F119-H123 AromaticContact CZ-NE2 3.66Å; F119-H123 PolarHBondContact O-N 3.46Å; F119-H123 PolarHBondContact O-ND1 3.45Å
120S97.7Very high96.3Very high0 Ų053.5 Ų53.50%027%0.274CS..Hα-helixtrans-69.8-32.7-178.972.40000113T90 N116 V117 N118 L124 F144T90-S120 WeakPolarHBondContact O-CA 3.19Å; T90-S120 VanDerWaalsContact O-CB 3.29Å; T90-S120 WeakPolarHBondContact O-CB 3.29Å; N116-S120 WeakPolarHBondContact O-CB 3.25Å; N116-S120 PolarHBondContact O-N 3.01Å; N116-S120 PolarHBondContact O-OG 3.12Å; V117-S120 PolarHBondContact O-N 3.01Å; V117-S120 PolarHBondContact O-OG 3.32Å; N118-S120 VanDerWaalsContact C-N 3.32Å; N118-S120 PolarHBondContact O-N 3.22Å; S120-L124 WeakPolarHBondContact O-CB 3.38Å; S120-L124 PolarHBondContact O-N 2.85Å; S120-L124 VanDerWaalsContact O-N 3.11Å; S120-F144 WeakPolarHBondContact O-CE2 3.3Å; S120-F144 WeakPolarHBondContact OG-CD1 3.09Å; S120-F144 WeakPolarHBondContact OG-CD2 3.49Å; S120-F144 WeakPolarHBondContact OG-CE2 3.16Å; S120-F144 WeakPolarHBondContact OG-CG 3.09Å
121R98Very high96.1Very high86 Ų8654.8 Ų54.833%0.32528%0.283SS..Hα-helixtrans-66.4-44.2172-70.5166.6179.9160.8-1.9111.5V117 N118 L124 V125 F144 E353V117-R121 VanDerWaalsContact O-CG 3.25Å; V117-R121 WeakPolarHBondContact O-CG 3.28Å; V117-R121 PolarHBondContact O-N 3.05Å; V117-R121 VanDerWaalsContact O-N 3.08Å; N118-R121 PolarHBondContact O-N 2.85Å; N118-R121 PolarHBondContact OD1-NH1 2.98Å; N118-R121 VanDerWaalsContact OD1-NH1 3.11Å; R121-L124 PolarHBondContact O-N 3.08Å; R121-V125 WeakPolarHBondContact O-CG2 3.28Å; R121-V125 PolarHBondContact O-N 3.37Å; R121-V125 VanDerWaalsContact O-N 3.17Å; R121-F144 HydrophobicContact CG-CB 4.45Å; R121-F144 HydrophobicContact CG-CD2 4.03Å; R121-F144 PolarHBondContact NH2-O 2.87Å; R121-E353 IonicContact NH2-OE2 2.76Å; R121-E353 PolarHBondContact NH2-OE2 3.01Å; R121-E353 VanDerWaalsContact NH2-OE2 3.11Å
122E97.4Very high96Very high124 Ų12455.5 Ų55.558%0.57929%0.287SS*.Hα-helixtrans-62.7-49.4177.4-73174176.400111.9N118 F119 L124 V125 T126N118-E122 WeakPolarHBondContact O-CG 3.22Å; N118-E122 PolarHBondContact O-N 2.94Å; F119-E122 PolarHBondContact O-N 3Å; E122-L124 VanDerWaalsContact C-N 3.29Å; E122-L124 PolarHBondContact O-N 3.17Å; E122-V125 WeakPolarHBondContact O-CA 3.43Å; E122-V125 WeakPolarHBondContact O-CB 3.42Å; E122-V125 PolarHBondContact O-N 3.23Å; E122-T126 PolarHBondContact O-N 3.46Å; E122-T126 PolarHBondContact O-OG1 3.23Å
123H97Very high96.1Very high38 Ų3852.6 Ų52.618%0.17627%0.27CS..Hα-helixtrans-68.1-27.8-179.9-69.179.9000112.8G40 Y41 F119 T126 F127G40-H123 PolarHBondContact O-CD2 3.2Å; Y41-H123 HydrophobicContact CD1-CB 3.89Å; Y41-H123 HydrophobicContact CE1-CB 3.68Å; F119-H123 AromaticContact CD1-CE1 3.89Å; F119-H123 AromaticContact CD1-ND1 3.47Å; F119-H123 WeakPolarHBondContact CD1-ND1 3.32Å; F119-H123 AromaticContact CD2-CE1 3.56Å; F119-H123 AromaticContact CD2-ND1 3.88Å; F119-H123 AromaticContact CE1-CE1 3.55Å; F119-H123 AromaticContact CE1-CG 3.95Å; F119-H123 AromaticContact CE1-ND1 3.38Å; F119-H123 WeakPolarHBondContact CE1-ND1 3.47Å; F119-H123 AromaticContact CE2-CE1 3.2Å; F119-H123 WeakPolarHBondContact CE2-CE1 3.12Å; F119-H123 AromaticContact CE2-ND1 3.82Å; F119-H123 AromaticContact CE2-NE2 3.94Å; F119-H123 AromaticContact CG-CE1 3.89Å; F119-H123 AromaticContact CG-ND1 3.72Å; F119-H123 AromaticContact CZ-CE1 3.2Å; F119-H123 WeakPolarHBondContact CZ-CE1 3.45Å; F119-H123 AromaticContact CZ-ND1 3.58Å; F119-H123 AromaticContact CZ-NE2 3.66Å; F119-H123 PolarHBondContact O-N 3.46Å; F119-H123 PolarHBondContact O-ND1 3.45Å; H123-T126 PolarHBondContact O-N 3.32Å; H123-F127 WeakPolarHBondContact O-CB 3.32Å; H123-F127 PolarHBondContact O-N 3.44Å
124L97.3Very high96Very high18 Ų1850.6 Ų50.69%0.09426%0.26CS..Hα-helixtrans-64.3-39.2168.1178.164.9000112.2S120 R121 E122 F127 L128 F139 P142 F144S120-L124 WeakPolarHBondContact O-CB 3.38Å; S120-L124 PolarHBondContact O-N 2.85Å; S120-L124 VanDerWaalsContact O-N 3.11Å; R121-L124 PolarHBondContact O-N 3.08Å; E122-L124 VanDerWaalsContact C-N 3.29Å; E122-L124 PolarHBondContact O-N 3.17Å; L124-F127 HydrophobicContact CD1-CD1 4.39Å; L124-L128 HydrophobicContact CD1-CD1 4.31Å; L124-L128 HydrophobicContact CD1-CG 4.38Å; L124-L128 HydrophobicContact CG-CD1 4.16Å; L124-L128 WeakPolarHBondContact O-CB 3.35Å; L124-L128 VanDerWaalsContact O-CG 3.28Å; L124-L128 WeakPolarHBondContact O-CG 3.39Å; L124-L128 PolarHBondContact O-N 2.98Å; L124-F139 HydrophobicContact CD1-CE1 4.03Å; L124-F139 HydrophobicContact CD1-CZ 3.84Å; L124-P142 HydrophobicContact CD1-CG 4.04Å; L124-P142 HydrophobicContact CD2-CG 3.96Å; L124-F144 HydrophobicContact CB-CE2 4.47Å; L124-F144 HydrophobicContact CD2-CE2 4.33Å
125V97Very high96Very high98 Ų9848 Ų4859%0.59425%0.245SC*.Hα-helixtrans-64.6-46.6175.1172.70000110.3R121 E122 F127 L128 S129R121-V125 WeakPolarHBondContact O-CG2 3.28Å; R121-V125 PolarHBondContact O-N 3.37Å; R121-V125 VanDerWaalsContact O-N 3.17Å; E122-V125 WeakPolarHBondContact O-CA 3.43Å; E122-V125 WeakPolarHBondContact O-CB 3.42Å; E122-V125 PolarHBondContact O-N 3.23Å; V125-F127 PolarHBondContact O-N 2.75Å; V125-L128 PolarHBondContact O-N 3.13Å; V125-L128 VanDerWaalsContact O-N 3.16Å; V125-S129 PolarHBondContact O-N 2.93Å; V125-S129 PolarHBondContact O-OG 3.27Å; V125-S129 VanDerWaalsContact O-OG 3.13Å
126T96.2Very high95.9Very high55 Ų5543.1 Ų43.134%0.33722%0.224SC..Hα-helixtrans-56.4-49.3175.6-53.70000111.6E122 H123 L128 S129 E130E122-T126 PolarHBondContact O-N 3.46Å; E122-T126 PolarHBondContact O-OG1 3.23Å; H123-T126 PolarHBondContact O-N 3.32Å; T126-L128 VanDerWaalsContact C-N 3.33Å; T126-L128 PolarHBondContact O-N 2.78Å; T126-S129 WeakPolarHBondContact CA-OG 3.48Å; T126-S129 PolarHBondContact O-N 3.35Å; T126-S129 VanDerWaalsContact O-N 3.13Å; T126-S129 PolarHBondContact O-OG 3.02Å; T126-E130 HydrophobicContact CG2-CG 4.29Å; T126-E130 WeakPolarHBondContact O-CB 3.43Å; T126-E130 PolarHBondContact O-N 3.34Å
127F96.7Very high95.8Very high17 Ų1744.9 Ų44.98%0.07523%0.23CC..Hα-helixtrans-55.3-45.9174.9171.3-99.2000112.1V36 T95 L99 H123 L124 V125 S129 C131 A133 P134 F139V36-F127 HydrophobicContact CG2-CE2 3.92Å; V36-F127 HydrophobicContact CG2-CZ 4.2Å; T95-F127 HydrophobicContact CG2-CD1 3.63Å; T95-F127 HydrophobicContact CG2-CD2 4.04Å; T95-F127 HydrophobicContact CG2-CE1 3.58Å; T95-F127 HydrophobicContact CG2-CE2 4Å; T95-F127 HydrophobicContact CG2-CG 3.86Å; T95-F127 HydrophobicContact CG2-CZ 3.77Å; L99-F127 HydrophobicContact CD1-CZ 4.39Å; L99-F127 HydrophobicContact CD2-CZ 4.44Å; H123-F127 WeakPolarHBondContact O-CB 3.32Å; H123-F127 PolarHBondContact O-N 3.44Å; L124-F127 HydrophobicContact CD1-CD1 4.39Å; V125-F127 PolarHBondContact O-N 2.75Å; F127-S129 VanDerWaalsContact C-N 3.33Å; F127-S129 PolarHBondContact O-N 2.82Å; F127-C131 HydrophobicContact CD2-CB 3.62Å; F127-C131 HydrophobicContact CE2-CB 3.68Å; F127-C131 VanDerWaalsContact CE2-SG 3.58Å; F127-C131 HydrophobicContact CG-CB 4.31Å; F127-C131 HydrophobicContact CZ-CB 4.41Å; F127-C131 WeakPolarHBondContact O-CB 3.31Å; F127-C131 PolarHBondContact O-N 3.27Å; F127-A133 HydrophobicContact CE2-CB 4.23Å; F127-A133 HydrophobicContact CZ-CB 3.91Å; F127-P134 HydrophobicContact CE1-CG 3.99Å; F127-P134 HydrophobicContact CZ-CG 4.4Å; F127-F139 HydrophobicContact CD1-CZ 4.23Å; F127-F139 HydrophobicContact CE1-CD2 4.48Å; F127-F139 HydrophobicContact CE1-CE1 4.2Å; F127-F139 AromaticContact CE1-CE2 3.9Å; F127-F139 HydrophobicContact CE1-CE2 3.9Å; F127-F139 AromaticContact CE1-CZ 3.74Å; F127-F139 HydrophobicContact CE1-CZ 3.74Å
128L94.7Very high95.5Very high72 Ų7246.2 Ų46.238%0.37724%0.24SC..Hα-helixtrans-68.4-26.2179-73.5172.3000113.9L124 V125 T126 P134 F139L124-L128 HydrophobicContact CD1-CD1 4.31Å; L124-L128 HydrophobicContact CD1-CG 4.38Å; L124-L128 HydrophobicContact CG-CD1 4.16Å; L124-L128 WeakPolarHBondContact O-CB 3.35Å; L124-L128 VanDerWaalsContact O-CG 3.28Å; L124-L128 WeakPolarHBondContact O-CG 3.39Å; L124-L128 PolarHBondContact O-N 2.98Å; V125-L128 PolarHBondContact O-N 3.13Å; V125-L128 VanDerWaalsContact O-N 3.16Å; T126-L128 VanDerWaalsContact C-N 3.33Å; T126-L128 PolarHBondContact O-N 2.78Å; L128-P134 HydrophobicContact CD2-CB 4.49Å; L128-P134 HydrophobicContact CD2-CG 3.92Å; L128-F139 HydrophobicContact CD2-CD1 3.97Å; L128-F139 HydrophobicContact CD2-CE1 3.77Å; L128-F139 HydrophobicContact CG-CE1 4.48Å
129S93Very high95.4Very high65 Ų6544.4 Ų44.446%0.45523%0.229SC..Hα-helixtrans-83.6-39.817647.30000113.8V125 T126 F127 K589V125-S129 PolarHBondContact O-N 2.93Å; V125-S129 PolarHBondContact O-OG 3.27Å; V125-S129 VanDerWaalsContact O-OG 3.13Å; T126-S129 WeakPolarHBondContact CA-OG 3.48Å; T126-S129 PolarHBondContact O-N 3.35Å; T126-S129 VanDerWaalsContact O-N 3.13Å; T126-S129 PolarHBondContact O-OG 3.02Å; F127-S129 VanDerWaalsContact C-N 3.33Å; F127-S129 PolarHBondContact O-N 2.82Å; S129-K589 PolarHBondContact O-NZ 2.91Å; S129-K589 VanDerWaalsContact O-NZ 3.15Å
130E92.5Very high95.3Very high153 Ų15344.2 Ų44.272%0.71523%0.23SC*.Hα-helixtrans-99.6-35.9-167.8-62.2-176.3176.600113.4T126T126-E130 HydrophobicContact CG2-CG 4.29Å; T126-E130 WeakPolarHBondContact O-CB 3.43Å; T126-E130 PolarHBondContact O-N 3.34Å
131C93.6Very high95.2Very high30 Ų3047 Ų4720%0.20325%0.248CC..  trans-85.5142-174.9-167.90000112.7L35 F127 A133 P134L35-C131 PolarHBondContact O-SG 2.84Å; L35-C131 VanDerWaalsContact O-SG 3.41Å; F127-C131 HydrophobicContact CD2-CB 3.62Å; F127-C131 HydrophobicContact CE2-CB 3.68Å; F127-C131 VanDerWaalsContact CE2-SG 3.58Å; F127-C131 HydrophobicContact CG-CB 4.31Å; F127-C131 HydrophobicContact CZ-CB 4.41Å; F127-C131 WeakPolarHBondContact O-CB 3.31Å; F127-C131 PolarHBondContact O-N 3.27Å; C131-A133 WeakPolarHBondContact SG-CB 3.5Å; C131-A133 PolarHBondContact SG-N 2.7Å; C131-A133 VanDerWaalsContact SG-N 3.41Å; C131-P134 WeakPolarHBondContact O-CD 3.33Å
132D95.3Very high95.2Very high28 Ų2843.3 Ų43.315%0.1524%0.235CC..SBendtrans-83.3-10.2175.5-164.755.1000113.2P134 F135 E136 T587 Y588 K589D132-P134 VanDerWaalsContact C-CD 3.45Å; D132-F135 CarbonylContact O-C 3.51Å; D132-F135 WeakPolarHBondContact O-CA 3.43Å; D132-F135 VanDerWaalsContact O-CB 3.31Å; D132-F135 WeakPolarHBondContact O-CB 3.45Å; D132-F135 PolarHBondContact O-N 3.07Å; D132-E136 PolarHBondContact O-N 2.86Å; D132-T587 WeakPolarHBondContact OD2-CA 3.29Å; D132-Y588 PolarHBondContact OD1-N 3.45Å; D132-Y588 PolarHBondContact OD2-N 3.15Å; D132-K589 WeakPolarHBondContact OD1-CB 3.35Å; D132-K589 PolarHBondContact OD1-N 2.83Å
133A96Very high95.2Very high0 Ų039.8 Ų39.80%022%0.222CC..Hα-helixtrans-53.9-37.6-176.200000115.4L35 L99 F127 C131 F135 E136 R137L35-A133 HydrophobicContact CB-CB 3.86Å; L35-A133 HydrophobicContact CD1-CB 4.05Å; L35-A133 HydrophobicContact CD2-CB 3.96Å; L35-A133 HydrophobicContact CG-CB 4.18Å; L99-A133 HydrophobicContact CD1-CB 4.01Å; L99-A133 HydrophobicContact CD2-CB 3.89Å; F127-A133 HydrophobicContact CE2-CB 4.23Å; F127-A133 HydrophobicContact CZ-CB 3.91Å; C131-A133 WeakPolarHBondContact SG-CB 3.5Å; C131-A133 PolarHBondContact SG-N 2.7Å; C131-A133 VanDerWaalsContact SG-N 3.41Å; A133-F135 PolarHBondContact O-N 2.73Å; A133-E136 PolarHBondContact O-N 3.48Å; A133-R137 PolarHBondContact O-N 2.82Å
134P93.4Very high95.3Very high14 Ų1438.2 Ų38.29%0.09121%0.214CC..Hα-helixtrans-69.5-15.2173.3-18.633.4000114.2F127 L128 C131 D132 R137 F139 R372 R376F127-P134 HydrophobicContact CE1-CG 3.99Å; F127-P134 HydrophobicContact CZ-CG 4.4Å; L128-P134 HydrophobicContact CD2-CB 4.49Å; L128-P134 HydrophobicContact CD2-CG 3.92Å; C131-P134 WeakPolarHBondContact O-CD 3.33Å; D132-P134 VanDerWaalsContact C-CD 3.45Å; P134-R137 CarbonylContact C-O 3.54Å; P134-R137 VanDerWaalsContact O-O 3.07Å; P134-F139 HydrophobicContact CB-CB 4.5Å; P134-R372 PolarHBondContact O-NH1 3.24Å; P134-R376 PolarHBondContact O-NH2 3.07Å
135F94.5Very high95.2Very high15 Ų1537.6 Ų37.67%0.06621%0.211CC..Hα-helixtrans-88.7-41170.4-64.6-87.2000111.2D132 A133 R376 K589 M592 I611D132-F135 CarbonylContact O-C 3.51Å; D132-F135 WeakPolarHBondContact O-CA 3.43Å; D132-F135 VanDerWaalsContact O-CB 3.31Å; D132-F135 WeakPolarHBondContact O-CB 3.45Å; D132-F135 PolarHBondContact O-N 3.07Å; A133-F135 PolarHBondContact O-N 2.73Å; F135-R376 PolarHBondContact O-NE 3.46Å; F135-R376 PolarHBondContact O-NH2 3.16Å; F135-K589 HydrophobicContact CB-CB 4.48Å; F135-K589 HydrophobicContact CD1-CB 4.18Å; F135-K589 HydrophobicContact CD1-CG 4.49Å; F135-K589 HydrophobicContact CD2-CB 3.85Å; F135-K589 HydrophobicContact CD2-CD 4.23Å; F135-K589 HydrophobicContact CD2-CG 4.19Å; F135-K589 HydrophobicContact CE1-CB 4.43Å; F135-K589 HydrophobicContact CE1-CG 4.24Å; F135-K589 HydrophobicContact CE2-CB 4.12Å; F135-K589 HydrophobicContact CE2-CD 3.81Å; F135-K589 HydrophobicContact CE2-CG 3.92Å; F135-K589 HydrophobicContact CG-CB 3.9Å; F135-K589 HydrophobicContact CG-CG 4.47Å; F135-K589 HydrophobicContact CZ-CB 4.4Å; F135-K589 HydrophobicContact CZ-CD 4.21Å; F135-K589 HydrophobicContact CZ-CG 3.95Å; F135-M592 HydrophobicContact CD1-SD 3.99Å; F135-M592 WeakPolarHBondContact O-CE 3.33Å; F135-I611 HydrophobicContact CD1-CD1 4.44Å; F135-I611 HydrophobicContact CE1-CB 4.34Å; F135-I611 HydrophobicContact CE1-CD1 3.94Å; F135-I611 HydrophobicContact CE1-CG2 3.83Å; F135-I611 WeakPolarHBondContact CE1-O 3.35Å; F135-I611 HydrophobicContact CZ-CG2 3.9Å; F135-I611 VanDerWaalsContact CZ-O 3.24Å; F135-I611 WeakPolarHBondContact CZ-O 3.39Å
136E94.7Very high95.1Very high15 Ų1534.5 Ų34.57%0.0719%0.19CC..Hα-helixtrans-59.1-46172.4176.9166.3133.400112.1R31 L35 D132 A133 R376 Y588R31-E136 IonicContact CZ-OE1 3.82Å; R31-E136 IonicContact CZ-OE2 3.58Å; R31-E136 IonicContact NE-OE1 3.18Å; R31-E136 PolarHBondContact NE-OE1 3.43Å; R31-E136 IonicContact NE-OE2 2.77Å; R31-E136 VanDerWaalsContact NH2-CD 3.34Å; R31-E136 IonicContact NH2-OE1 2.73Å; R31-E136 PolarHBondContact NH2-OE1 2.77Å; R31-E136 IonicContact NH2-OE2 2.7Å; R31-E136 PolarHBondContact NH2-OE2 2.89Å; L35-E136 WeakPolarHBondContact CD1-OE1 3.34Å; D132-E136 PolarHBondContact O-N 2.86Å; A133-E136 PolarHBondContact O-N 3.48Å; E136-R376 WeakPolarHBondContact O-CD 3.46Å; E136-R376 PolarHBondContact O-NE 2.98Å; E136-Y588 VanDerWaalsContact CA-CD2 3.46Å; E136-Y588 HydrophobicContact CB-CD2 3.56Å; E136-Y588 HydrophobicContact CB-CE2 3.47Å; E136-Y588 VanDerWaalsContact CB-CE2 3.47Å; E136-Y588 HydrophobicContact CB-CG 4.36Å; E136-Y588 HydrophobicContact CG-CD2 4.07Å; E136-Y588 HydrophobicContact CG-CE2 3.42Å; E136-Y588 VanDerWaalsContact CG-CE2 3.42Å
137R93.7Very high95Very high42 Ų4232.2 Ų32.216%0.15818%0.177CC..SBendtrans-141.8171.3-175.866.3-165.2-56.5167.418.6114.4E28 L35 L99 A133 P134 R376E28-R137 PolarHBondContact O-NH1 2.94Å; E28-R137 IonicContact OE2-CZ 3.01Å; E28-R137 IonicContact OE2-NH1 3.76Å; E28-R137 IonicContact OE2-NH2 2.81Å; E28-R137 PolarHBondContact OE2-NH2 3.46Å; L35-R137 HydrophobicContact CD1-CG 4.49Å; L99-R137 HydrophobicContact CB-CG 4.38Å; L99-R137 HydrophobicContact CD2-CG 3.78Å; L99-R137 PolarHBondContact O-NE 3.03Å; A133-R137 PolarHBondContact O-N 2.82Å; P134-R137 CarbonylContact C-O 3.54Å; P134-R137 VanDerWaalsContact O-O 3.07Å; R137-R376 PolarHBondContact O-NH2 2.79Å
138S92.7Very high94.8Very high29 Ų2931.9 Ų31.920%0.20318%0.176CC..  trans-71.8143.2177.1-69.30000110.5Y103Y103-S138 WeakPolarHBondContact CD1-OG 3.48Å
139F95.2Very high94.8Very high18 Ų1828.6 Ų28.68%0.07916%0.159CC..  trans-131.6135.9-174-176.1-120.4000111.5T95 G98 L99 L124 F127 L128 P134 P141T95-F139 HydrophobicContact CG2-CE2 4.17Å; T95-F139 HydrophobicContact CG2-CZ 4.13Å; T95-F139 WeakPolarHBondContact O-CE2 3.42Å; G98-F139 CarbonylContact O-C 3.56Å; G98-F139 WeakPolarHBondContact O-CA 3.18Å; L99-F139 HydrophobicContact CD2-CB 4.4Å; L99-F139 HydrophobicContact CD2-CD2 3.65Å; L99-F139 HydrophobicContact CD2-CE2 4.35Å; L99-F139 HydrophobicContact CD2-CG 4.37Å; L99-F139 HydrophobicContact CG-CD2 3.93Å; L99-F139 HydrophobicContact CG-CE2 4.28Å; L124-F139 HydrophobicContact CD1-CE1 4.03Å; L124-F139 HydrophobicContact CD1-CZ 3.84Å; F127-F139 HydrophobicContact CD1-CZ 4.23Å; F127-F139 HydrophobicContact CE1-CD2 4.48Å; F127-F139 HydrophobicContact CE1-CE1 4.2Å; F127-F139 AromaticContact CE1-CE2 3.9Å; F127-F139 HydrophobicContact CE1-CE2 3.9Å; F127-F139 AromaticContact CE1-CZ 3.74Å; F127-F139 HydrophobicContact CE1-CZ 3.74Å; L128-F139 HydrophobicContact CD2-CD1 3.97Å; L128-F139 HydrophobicContact CD2-CE1 3.77Å; L128-F139 HydrophobicContact CG-CE1 4.48Å; P134-F139 HydrophobicContact CB-CB 4.5Å; F139-P141 HydrophobicContact CD1-CB 4.34Å; F139-P141 HydrophobicContact CD1-CG 3.8Å; F139-P141 VanDerWaalsContact CE1-CA 3.5Å; F139-P141 HydrophobicContact CE1-CB 3.91Å; F139-P141 HydrophobicContact CE1-CG 3.88Å; F139-P141 WeakPolarHBondContact O-CD 3.43Å
140C95.6Very high94.7Very high11 Ų1125.6 Ų25.67%0.07414%0.138CC..  trans-100.7100.4164-172.30000109.1G98 L101 G102 G105 N107G98-C140 WeakPolarHBondContact CA-O 3.49Å; G98-C140 PolarHBondContact O-N 2.94Å; L101-C140 HydrophobicContact CB-CB 3.89Å; L101-C140 HydrophobicContact CD1-CB 4.27Å; G102-C140 VanDerWaalsContact O-CB 3.29Å; G102-C140 WeakPolarHBondContact O-CB 3.35Å; G105-C140 PolarHBondContact O-SG 2.98Å; N107-C140 HydrophobicContact CB-CB 4.24Å; N107-C140 WeakPolarHBondContact CB-SG 3.47Å; N107-C140 PolarHBondContact ND2-O 3.41Å
141P95.6Very high94.6Very high60 Ų6020.2 Ų20.239%0.3911%0.114SC..  trans-58.3127.9176-21.332.1000110.6F139F139-P141 HydrophobicContact CD1-CB 4.34Å; F139-P141 HydrophobicContact CD1-CG 3.8Å; F139-P141 VanDerWaalsContact CE1-CA 3.5Å; F139-P141 HydrophobicContact CE1-CB 3.91Å; F139-P141 HydrophobicContact CE1-CG 3.88Å; F139-P141 WeakPolarHBondContact O-CD 3.43Å
142P97.7Very high94.3Very high8 Ų819.9 Ų19.95%0.05211%0.11CC..  trans-67.2141.917724-30.1000112.1N107 L124 F144N107-P142 HydrophobicContact CB-CB 4.48Å; N107-P142 CarbonylContact O-C 3.45Å; N107-P142 WeakPolarHBondContact O-CA 3.4Å; L124-P142 HydrophobicContact CD1-CG 4.04Å; L124-P142 HydrophobicContact CD2-CG 3.96Å; P142-F144 HydrophobicContact CB-CE1 4.07Å; P142-F144 HydrophobicContact CB-CE2 4.09Å; P142-F144 HydrophobicContact CB-CZ 3.71Å; P142-F144 HydrophobicContact CG-CE1 4.39Å; P142-F144 HydrophobicContact CG-CE2 3.82Å; P142-F144 HydrophobicContact CG-CZ 3.56Å
143V97.4Very high94Very high49 Ų4918.6 Ų18.630%0.29710%0.103SC..EExtended strand (participates in β ladder)trans-103.9113.7169.5-177.40000108.1N107 H108 G109 L145 P356N107-V143 PolarHBondContact O-N 2.77Å; H108-V143 WeakPolarHBondContact CA-O 3.04Å; G109-V143 PolarHBondContact N-O 2.89Å; V143-L145 HydrophobicContact CG1-CD2 3.85Å; V143-L145 HydrophobicContact CG1-CG 4.4Å; V143-P356 HydrophobicContact CG1-CG 3.95Å; V143-P356 HydrophobicContact CG2-CG 4.1Å
144F97.8Very high93.4Very high5 Ų521.8 Ų21.82%0.02212%0.123CC..EExtended strand (participates in β ladder)trans-92.1122.7176.2-55.3-70.9000109.9V117 S120 R121 L124 P142V117-F144 HydrophobicContact CG1-CB 4.04Å; S120-F144 WeakPolarHBondContact O-CE2 3.3Å; S120-F144 WeakPolarHBondContact OG-CD1 3.09Å; S120-F144 WeakPolarHBondContact OG-CD2 3.49Å; S120-F144 WeakPolarHBondContact OG-CE2 3.16Å; S120-F144 WeakPolarHBondContact OG-CG 3.09Å; R121-F144 HydrophobicContact CG-CB 4.45Å; R121-F144 HydrophobicContact CG-CD2 4.03Å; R121-F144 PolarHBondContact NH2-O 2.87Å; L124-F144 HydrophobicContact CB-CE2 4.47Å; L124-F144 HydrophobicContact CD2-CE2 4.33Å; P142-F144 HydrophobicContact CB-CE1 4.07Å; P142-F144 HydrophobicContact CB-CE2 4.09Å; P142-F144 HydrophobicContact CB-CZ 3.71Å; P142-F144 HydrophobicContact CG-CE1 4.39Å; P142-F144 HydrophobicContact CG-CE2 3.82Å; P142-F144 HydrophobicContact CG-CZ 3.56Å
145L96.2Very high92.6Very high6 Ų622 Ų223%0.03112%0.124CC..EExtended strand (participates in β ladder)trans-111.1127-177.6-56.6173.9000108.7G109 I110 E111 V143 W278 V352 E353 P355G109-L145 PolarHBondContact O-N 2.81Å; I110-L145 WeakPolarHBondContact CA-O 3.46Å; I110-L145 HydrophobicContact CG1-CB 4.29Å; I110-L145 HydrophobicContact CG1-CD1 4.36Å; E111-L145 PolarHBondContact N-O 3.03Å; V143-L145 HydrophobicContact CG1-CD2 3.85Å; V143-L145 HydrophobicContact CG1-CG 4.4Å; L145-W278 HydrophobicContact CD1-CZ2 4.29Å; L145-V352 HydrophobicContact CB-CG1 4.4Å; L145-E353 WeakPolarHBondContact CA-OE2 3.47Å; L145-E353 HydrophobicContact CB-CB 4.17Å; L145-E353 HydrophobicContact CD2-CB 4.14Å; L145-P355 HydrophobicContact CD1-CB 4.22Å
146H95.4Very high91.2Very high33 Ų3325.4 Ų25.415%0.15315%0.15CC..EExtended strand (participates in β ladder)trans-79.1134.3175.7177-116.9000111.7E111 V112 D114 V117 V352 E353E111-H146 WeakPolarHBondContact O-CA 3.49Å; E111-H146 PolarHBondContact O-CD2 3.46Å; V112-H146 PolarHBondContact O-NE2 3.08Å; D114-H146 PolarHBondContact N-CD2 3.16Å; D114-H146 VanDerWaalsContact N-CD2 3.33Å; D114-H146 PolarHBondContact N-NE2 2.87Å; V117-H146 HydrophobicContact CG2-CB 4.09Å; H146-V352 WeakPolarHBondContact O-CA 3.37Å; H146-E353 HydrophobicContact CB-CG 4.2Å; H146-E353 PolarHBondContact N-OE2 2.9Å; H146-E353 PolarHBondContact O-N 3.32Å
147G93.4Very high89.5Confident6 Ų630.2 Ų30.26%0.06218%0.18CC..SBendtrans145.7172.217000000114I110 E111I110-G147 WeakPolarHBondContact CG2-O 3.42Å; E111-G147 CarbonylContact C-O 3.59Å; E111-G147 PolarHBondContact O-N 2.89Å
148N93.2Very high87.2Confident10 Ų1035.2 Ų35.25%0.05321%0.205CC..  trans-90125.9175.2-169-16.5000111V112 L150 D151 L152 L342 P343 V352V112-N148 HydrophobicContact CG2-CB 4.03Å; N148-L150 PolarHBondContact O-N 3.31Å; N148-L150 VanDerWaalsContact O-N 3.14Å; N148-L150 PolarHBondContact OD1-N 2.92Å; N148-D151 HydrophobicContact CB-CB 4.42Å; N148-D151 WeakPolarHBondContact CB-OD2 3.24Å; N148-D151 WeakPolarHBondContact O-CB 3.4Å; N148-D151 PolarHBondContact O-N 3.14Å; N148-L152 PolarHBondContact O-N 3.07Å; N148-L342 PolarHBondContact ND2-O 3.42Å; N148-P343 PolarHBondContact ND2-O 3.35Å; N148-P343 VanDerWaalsContact ND2-O 3.11Å; N148-V352 WeakPolarHBondContact O-CG2 3.21Å
149I93.8Very high84.6Confident3 Ų339.8 Ų39.82%0.01522%0.223CC..Hα-helixtrans-51.7-34.9173.1-172.358.1000113V86 I110 D151 L152 V153 I299 L302 L341V86-I149 HydrophobicContact CG1-CB 3.85Å; V86-I149 HydrophobicContact CG1-CG1 3.98Å; V86-I149 HydrophobicContact CG1-CG2 3.62Å; V86-I149 HydrophobicContact CG2-CD1 4.2Å; V86-I149 HydrophobicContact CG2-CG1 4.06Å; I110-I149 HydrophobicContact CD1-CD1 3.91Å; I110-I149 HydrophobicContact CG2-CB 4.42Å; I149-D151 VanDerWaalsContact C-N 3.32Å; I149-D151 PolarHBondContact O-N 3.35Å; I149-L152 HydrophobicContact CD1-CD2 4.23Å; I149-L152 WeakPolarHBondContact O-CB 3.48Å; I149-L152 PolarHBondContact O-N 2.96Å; I149-V153 HydrophobicContact CD1-CG2 4.34Å; I149-V153 HydrophobicContact CG1-CG2 4.12Å; I149-V153 WeakPolarHBondContact O-CG2 3.44Å; I149-V153 PolarHBondContact O-N 3.25Å; I149-I299 HydrophobicContact CG1-CG1 4.22Å; I149-L302 HydrophobicContact CD1-CD1 3.76Å; I149-L341 HydrophobicContact CG2-CD1 3.89Å; I149-L341 HydrophobicContact CG2-CD2 3.77Å; I149-L341 HydrophobicContact CG2-CG 4.24Å
150L91.9Very high81.4Confident3 Ų345.6 Ų45.62%0.01626%0.263CS..Hα-helixtrans-76.5-18.3-178-60.5-176.3000113.6N148 H295 L341N148-L150 PolarHBondContact O-N 3.31Å; N148-L150 VanDerWaalsContact O-N 3.14Å; N148-L150 PolarHBondContact OD1-N 2.92Å; L150-H295 HydrophobicContact CD2-CB 3.91Å; L150-L341 HydrophobicContact CD1-CD2 4.02Å; L150-L341 HydrophobicContact CD1-CG 4.29Å; L150-L341 HydrophobicContact CD2-CD2 3.91Å; L150-L341 HydrophobicContact CG-CD2 3.92Å; L150-L341 HydrophobicContact CG-CG 4.45Å
151D89.4Confident78.6Confident40 Ų4048.3 Ų48.321%0.21429%0.292CS..Hα-helixtrans-76.9-29.5170.2-60.4-22.7000110.4N148 I149 V154 S344N148-D151 HydrophobicContact CB-CB 4.42Å; N148-D151 WeakPolarHBondContact CB-OD2 3.24Å; N148-D151 WeakPolarHBondContact O-CB 3.4Å; N148-D151 PolarHBondContact O-N 3.14Å; I149-D151 VanDerWaalsContact C-N 3.32Å; I149-D151 PolarHBondContact O-N 3.35Å; D151-V154 WeakPolarHBondContact O-CG2 3.44Å; D151-S344 WeakPolarHBondContact OD1-CA 3.24Å; D151-S344 WeakPolarHBondContact OD1-CB 3.1Å; D151-S344 PolarHBondContact OD1-OG 3.46Å
152L87.6Confident75.7Confident23 Ų2350.7 Ų50.712%0.1230%0.3CS..Hα-helixtrans-78-46.9174.6172.164.9000112.5I110 N148 I149 P257 W278 V352I110-L152 HydrophobicContact CD1-CD2 4.15Å; N148-L152 PolarHBondContact O-N 3.07Å; I149-L152 HydrophobicContact CD1-CD2 4.23Å; I149-L152 WeakPolarHBondContact O-CB 3.48Å; I149-L152 PolarHBondContact O-N 2.96Å; L152-P257 HydrophobicContact CD1-CB 4Å; L152-P257 HydrophobicContact CD1-CG 3.58Å; L152-P257 HydrophobicContact CG-CG 3.82Å; L152-P257 WeakPolarHBondContact O-CB 3.18Å; L152-W278 HydrophobicContact CD1-CD2 3.75Å; L152-W278 HydrophobicContact CD1-CE3 3.45Å; L152-W278 VanDerWaalsContact CD1-CE3 3.45Å; L152-W278 HydrophobicContact CD1-CG 4.31Å; L152-W278 HydrophobicContact CD1-CH2 4.25Å; L152-W278 HydrophobicContact CD1-CZ3 3.73Å; L152-W278 HydrophobicContact CD2-CD2 3.75Å; L152-W278 HydrophobicContact CD2-CE3 4.14Å; L152-W278 HydrophobicContact CD2-CG 4.29Å; L152-W278 HydrophobicContact CD2-CH2 3.91Å; L152-W278 HydrophobicContact CD2-CZ2 3.5Å; L152-W278 HydrophobicContact CD2-CZ3 4.21Å; L152-W278 HydrophobicContact CG-CD2 4.37Å; L152-W278 HydrophobicContact CG-CE3 4.45Å; L152-V352 HydrophobicContact CB-CB 4.38Å; L152-V352 HydrophobicContact CB-CG2 3.74Å
153V88.5Confident72.8Confident0 Ų057.1 Ų57.10%034%0.339CS..SBendtrans-103.765.3179-70.10000112.1I149 P257 S298 I299 L302I149-V153 HydrophobicContact CD1-CG2 4.34Å; I149-V153 HydrophobicContact CG1-CG2 4.12Å; I149-V153 WeakPolarHBondContact O-CG2 3.44Å; I149-V153 PolarHBondContact O-N 3.25Å; V153-P257 HydrophobicContact CG1-CG 3.93Å; V153-S298 WeakPolarHBondContact CB-O 3.45Å; V153-S298 WeakPolarHBondContact CG1-O 3.35Å; V153-S298 WeakPolarHBondContact O-CB 3.47Å; V153-S298 PolarHBondContact O-OG 3.14Å; V153-I299 HydrophobicContact CG2-CG1 4.21Å; V153-L302 HydrophobicContact CG1-CD1 3.98Å; V153-L302 HydrophobicContact CG1-CD2 3.99Å; V153-L302 HydrophobicContact CG1-CG 3.85Å
154V83.8Confident69.8Low68 Ų6863.5 Ų63.541%0.41237%0.365SS..  trans-56.1128.8175.8-175.90000110.9D151 R301D151-V154 WeakPolarHBondContact O-CG2 3.44Å; V154-R301 PolarHBondContact O-NH1 2.75Å
155P77.4Confident66.8Low18 Ų1872.8 Ų72.812%0.11740%0.4CS..  trans-64.2135177.8-24.435.1000113.8V157 Q158 L294 S298P155-V157 PolarHBondContact O-N 3.13Å; P155-Q158 PolarHBondContact O-N 3.13Å; P155-L294 HydrophobicContact CB-CB 4.17Å; P155-L294 HydrophobicContact CG-CB 4.45Å; P155-S298 WeakPolarHBondContact CA-OG 3.32Å
156S63.7Low64Low87 Ų8778.5 Ų78.561%0.60843%0.43SS*.G310 helixtrans-64.8-8.8-172.2-540000116Q158S156-Q158 VanDerWaalsContact C-N 3.26Å; S156-Q158 PolarHBondContact O-N 3.38Å
157V58.9Low61.1Low115 Ų11584.5 Ų84.570%0.69746%0.463SS*.G310 helixtrans-84.41.5-178.4-167.30000112.4P155 L294P155-V157 PolarHBondContact O-N 3.13Å; V157-L294 HydrophobicContact CG2-CD2 3.81Å
158Q45.7Very low58.3Low147 Ų14790.7 Ų90.769%0.68750%0.495SS*.G310 helixtrans-105.714.3176.8-72.8179.8-27.800114.4P155 S156P155-Q158 PolarHBondContact O-N 3.13Å; S156-Q158 VanDerWaalsContact C-N 3.26Å; S156-Q158 PolarHBondContact O-N 3.38Å
159Q38.9Very low55.6Low125 Ų12598.8 Ų98.858%0.58453%0.53SS*.  trans-107.9105.8169.8-67.6-1662.100111.3G161 M162Q159-G161 PolarHBondContact O-N 3.45Å; Q159-M162 PolarHBondContact OE1-SD 3.3Å
160P27.8Very low52.7Low140 Ų140102.9 Ų102.991%0.90956%0.557SS**THydrogen-bonded Turntrans-70111.2170.90.313.7000109.3
161G36Very low49.9Very low68 Ų68109.4 Ų109.470%0.70159%0.587SS**THydrogen-bonded Turntrans1280.2166.300000118.5Q159Q159-G161 PolarHBondContact O-N 3.45Å
162M35.6Very low47.3Very low110 Ų110114 Ų11454%0.54262%0.619SS.*  trans-93.31.6-175.9-81.5-158.471.100116.8Q159 E164Q159-M162 PolarHBondContact OE1-SD 3.3Å; M162-E164 VanDerWaalsContact C-N 3.31Å; M162-E164 PolarHBondContact O-N 2.88Å
163V35.6Very low45Very low144 Ų144117.5 Ų117.587%0.87365%0.646SS**THydrogen-bonded Turntrans-75.8-17-179.7-176.30000112.9
164E34.9Very low42.8Very low182 Ų182124.9 Ų124.985%0.8568%0.68SS**THydrogen-bonded Turntrans-96.310.1-176.7-67.5-172.215000115.3M162M162-E164 VanDerWaalsContact C-N 3.31Å; M162-E164 PolarHBondContact O-N 2.88Å
165R35.1Very low40.6Very low200 Ų200129.7 Ų129.776%0.75570%0.7SS**SBendtrans-1255.8177.6-67.1-162.5-166.9-167.35.8116.2N167R165-N167 VanDerWaalsContact C-N 3.26Å; R165-N167 PolarHBondContact O-N 3.19Å
166L36.8Very low38.6Very low126 Ų126136 Ų13666%0.6673%0.732SS**THydrogen-bonded Turntrans-79.1-4.2178.5-109.977.3000114.7
167N36Very low37.2Very low160 Ų160139.9 Ų139.986%0.85674%0.74SS**THydrogen-bonded Turntrans-100.9-3.9-179.9-72.4-14.1000114.5R165R165-N167 VanDerWaalsContact C-N 3.26Å; R165-N167 PolarHBondContact O-N 3.19Å
168D34.8Very low36Very low135 Ų135140.8 Ų140.872%0.72274%0.741SS**  trans-107.462.4-179.4-73.2-34.3000111.9
169F34.6Very low35.5Very low181 Ų181140.3 Ų140.379%0.79474%0.743SS**  trans-115.3119.8161.3-90.3-80.7000109.4Q171F169-Q171 PolarHBondContact O-N 3.07Å
170P33.7Very low35.3Very low89 Ų89140.8 Ų140.858%0.57875%0.749SS**  trans-60.5130.9179.8-22.432.8000111.3
171Q34.3Very low35.6Very low140 Ų140140 Ų14065%0.65474%0.737SS**  trans-57.5143169.5-77.7-84-19.700109.6F169 S173 E174F169-Q171 PolarHBondContact O-N 3.07Å; Q171-S173 PolarHBondContact O-N 3.41Å; Q171-E174 PolarHBondContact O-N 3.1Å
172P34.1Very low35.4Very low135 Ų135142.1 Ų142.188%0.87774%0.736SS**THydrogen-bonded Turntrans-63.113.7-178.2-24.835.3000116.9
173S39.8Very low35.4Very low98 Ų98144.4 Ų144.469%0.68575%0.745SS**THydrogen-bonded Turntrans-107.1-6.4-177.952.40000115Q171Q171-S173 PolarHBondContact O-N 3.41Å
174E42.3Very low35.2Very low155 Ų155143.9 Ų143.972%0.72474%0.737SS**SBendtrans-109.5-3.9-172-63.9-165.4147.700115.6Q171 I176Q171-E174 PolarHBondContact O-N 3.1Å; E174-I176 VanDerWaalsContact C-N 3.31Å; E174-I176 PolarHBondContact O-N 3.27Å; E174-I176 VanDerWaalsContact O-N 3.14Å
175M36.2Very low35.2Very low169 Ų169140.9 Ų140.983%0.83373%0.727SS**  trans-89.649.2-179.8-66.7-170.871.900114.2
176I35.2Very low35Very low151 Ų151137.9 Ų137.977%0.77473%0.726SS**  trans-136.377.9164.4-51.4178.7000109.6E174E174-I176 VanDerWaalsContact C-N 3.31Å; E174-I176 PolarHBondContact O-N 3.27Å; E174-I176 VanDerWaalsContact O-N 3.14Å
177Q34.4Very low34.9Very low168 Ų168136.8 Ų136.879%0.78573%0.729SS**  trans168.4134.8144.1-95.5148.67.300112.3
178N34.7Very low34.5Very low134 Ų134135.5 Ų135.572%0.71773%0.726SS**  trans69.6147.9154.6-51.5-22.8000116.8
179N34.5Very low34.4Very low137 Ų137137 Ų13773%0.73373%0.733SS**  cis-159.2170.6-14.1-113.9-24.8000111
180L34.5Very low34.1Very low135 Ų135135.8 Ų135.871%0.70773%0.734SS**  trans-35.3143169.6-85.361.7000117.8
181D33.9Very low34.3Very low123 Ų123136.6 Ų136.666%0.65874%0.74SS**  71.2100.8129.5-58.8-22.1000123.8
182T33.2Very low34Very low112 Ų112137.8 Ų137.869%0.68775%0.745SS**  81137.6118.867.50000124
183H34.8Very low34Very low158 Ų158137.1 Ų137.173%0.73173%0.734SS**  95.4115.8129.7-87.4-43.1000123.3
184L32.4Very low33.5Very low133 Ų133138.4 Ų138.470%0.69673%0.732SS**  105.1117.6129.7-68.1162000122
185N33.6Very low32.9Very low120 Ų120141.5 Ų141.564%0.64274%0.737SS**  95103.6125.6-78.5-2.8000123.9
186N31.1Very low32.5Very low136 Ų136139 Ų13973%0.72773%0.732SS**  91.6141.9109.2-79.7-7.3000124.7
187S34Very low32.3Very low104 Ų104136.5 Ų136.573%0.72773%0.728SS**  trans82110153.6-58.50000117.9
188V29.6Very low32Very low132 Ų132137.5 Ų137.580%0.873%0.732SS**  92.111950.1169.80000113.4
189I30.8Very low31.7Very low167 Ų167134.5 Ų134.586%0.85673%0.733SS**  trans179.2151132.5-90.7159.8000110.4
190N29.1Very low31.6Very low155 Ų155134.2 Ų134.283%0.82974%0.742SS**  trans-97.1169-165-123.514000114.9
191P37.3Very low31.4Very low106 Ų106135.7 Ų135.769%0.68875%0.745SS**  trans-102.5172.6-179.740.9-34.6000114.1
192E29.8Very low31.3Very low166 Ų166137.8 Ų137.878%0.77676%0.756SS**  trans-170.4155.3152.5-124.1178.8-13000114.5
193N32.6Very low31.3Very low120 Ų120140.4 Ų140.464%0.64276%0.76SS**  trans74.3146.4152.5-65.2-28.1000119.4
194I29.6Very low31.1Very low125 Ų125138.2 Ų138.264%0.64176%0.763SS**  cis-168.8154.53.2-122.9168.4000113.3
195W29.8Very low31.2Very low220 Ų220136.9 Ų136.983%0.83377%0.765SS**  trans67.4127.5156.9-69.817.2000120.4
196T27.6Very low30.9Very low117 Ų117138.7 Ų138.772%0.71877%0.774SS**  76.1110.354.566.10000117.2
197S31.3Very low30.8Very low98 Ų98136.5 Ų136.569%0.68578%0.775SS**  176.9143102.7-142.30000115
198E28.2Very low30.5Very low189 Ų189137.7 Ų137.788%0.88378%0.778SS**  trans32.8145.2142.6-64.3167.3146.600124.3
199G29.2Very low30.4Very low71 Ų71140.2 Ų140.273%0.73278%0.784SS**  trans176.252.7166.800000121.7
200S31.9Very low30.5Very low131 Ų131140.3 Ų140.392%0.91678%0.78SS**  trans74.5150152.9-61.70000122.8
201Q29Very low30.7Very low167 Ų167139.4 Ų139.478%0.7878%0.78SS**  trans-97.3165.9-173-55.1159.5-63.200112.6
202N32.6Very low30.5Very low166 Ų166142.3 Ų142.389%0.88879%0.785SS**  trans-164.4160.5132.7-101.1-30.7000114
203H32.7Very low30.6Very low167 Ų167143 Ų14377%0.77379%0.788SS**  trans-101.2168.4-162.8-79.7-97.5000115.8
204S30.6Very low30.6Very low112 Ų112143.9 Ų143.978%0.78379%0.793SS**  trans77.9150149.9-142.90000116.6
205S34.1Very low30.6Very low105 Ų105144.4 Ų144.473%0.73480%0.797SS**  cis-147.5165.88.4-31.80000112.2
206D27.2Very low31Very low158 Ų158142.7 Ų142.785%0.84580%0.798SS**  trans-62.2151.3167.1-151.5-11.1000112.9
207A30Very low31.1Very low90 Ų90143 Ų14374%0.74480%0.799SS**  trans-157.6110.1173.100000112.4
208T27.2Very low31.4Very low130 Ų130145.1 Ų145.180%0.79881%0.807SS**  trans-68.5146.6168.145.40000111.7
209M28.8Very low31.5Very low185 Ų185142.4 Ų142.491%0.91180%0.799SS**  trans-117.3125.4168.5-111.8-17078.700111.1
210E32.1Very low31.9Very low168 Ų168147.3 Ų147.379%0.78580%0.803SS**  trans-85.2161.7174.9-61.2175.4153.700110.3
211V33.1Very low32.1Very low136 Ų136147.4 Ų147.482%0.82479%0.793SS**  trans-110.2112.5172.3176.80000107.7
212E33.7Very low32.5Very low168 Ų168144.3 Ų144.379%0.78579%0.786SS**  trans-83.6113.7169.4-70.4-168.8155.700110.1
213E30.8Very low33Very low181 Ų181143.9 Ų143.985%0.84678%0.778SS**  trans-84.7128160.9-69.4-177.4142.400109
214N32.7Very low33.4Very low138 Ų138143 Ų14374%0.73877%0.774SS**  trans-123.797.6172.3-107.7-43.2000109.5
215D31.1Very low33.9Very low136 Ų136143.9 Ų143.973%0.72777%0.77SS**  trans-87.1124.9170.2-93.3-28.9000110.3
216H36.2Very low34.2Very low184 Ų184145.9 Ų145.985%0.85277%0.773SS**  trans-126.7109.2161.6-102.6-52.3000110.8
217V31.4Very low35.1Very low124 Ų124145.7 Ų145.775%0.75277%0.771SS**  trans-83.8130.1173.1176.10000109.5
218V36.8Very low36.1Very low142 Ų142146 Ų14686%0.86177%0.766SS**  trans-128.5135.9156.8-177.90000107.2
219N31Very low37Very low131 Ų131146.9 Ų146.970%0.70177%0.766SS**  trans-124.1176.7-173.4-164.211.6000109.4
220E37Very low37.7Very low174 Ų174145.2 Ų145.281%0.81376%0.761SS**  trans82.5151.4177.2-54-177.8171.500117.3
221N35.5Very low38.3Very low133 Ų133143 Ų14371%0.71175%0.754SS**  cis-170.6155.2-49.5-122.1-21.9000110.2
222T38.6Very low38.7Very low103 Ų103143.3 Ų143.363%0.63275%0.751SS**  trans72.4134.2150.233.40000124.6
223H42.9Very low39.4Very low157 Ų157142.5 Ų142.573%0.72775%0.752SS**  trans73.2146.1146.6-63-54.7000120.6
224Q40.5Very low40.3Very low149 Ų149141.4 Ų141.470%0.69675%0.752SS**  cis-174.2175.2-30.9-146.3166-7.300107.7
225N40.4Very low40.8Very low130 Ų130142.4 Ų142.470%0.69576%0.758SS**  trans80.3145.6169.6-47.7-7.5000116.2
226D40.5Very low41.5Very low147 Ų147142.9 Ų142.979%0.78676%0.76SS**  cis-158.7159.5-17.5-93.9-30.2000109.4
227D47.7Very low41.9Very low153 Ų153141.4 Ų141.482%0.81876%0.758SS**  trans-62.4-177.8179.5-86.4-38.4000117.2
228P49.6Very low42.3Very low97 Ų97141.8 Ų141.863%0.6376%0.756SS**  cis-141.3-154.6-40.241.3-22.1000113.1
229D46.3Very low42.5Very low148 Ų148143.9 Ų143.979%0.79176%0.757SS**  trans70.6109160.2-66.5-16.2000120.3
230N42.9Very low42.9Very low151 Ų151145.1 Ų145.181%0.80776%0.763SS**  -167.2165.797.1-155.10.5000112.1
231N44.8Very low43.1Very low121 Ų121145.9 Ų145.965%0.64777%0.767SS**  trans-93.4167-162.8-56.5-93000115.3
232N43.3Very low43.4Very low143 Ų143144.1 Ų144.177%0.76577%0.765SS**  trans76.3120.1164.1-45.2-29000116.2
233D48.3Very low43.4Very low151 Ų151145.3 Ų145.381%0.80777%0.768SS**  -165.6169.295.5-83.8-21.9000109.1
234D48Very low43.7Very low158 Ų158140.6 Ų140.685%0.84575%0.751SS**  trans-70.3133.6-163.9-55.8-74.7000115.1D236D234-D236 PolarHBondContact O-N 3.02Å
235D43.4Very low44.2Very low159 Ų159137.5 Ų137.585%0.8574%0.738SS**  trans-77.399.5169.8-72.3-46.8000110.9
236D47.4Very low44.7Very low146 Ų146138.7 Ų138.778%0.78174%0.737SS**  trans-101.990.7167.7-16420.3000108.6D234 N238D234-D236 PolarHBondContact O-N 3.02Å; D236-N238 VanDerWaalsContact C-N 3.32Å; D236-N238 PolarHBondContact O-N 3Å
237D43Very low45.6Very low152 Ų152134.3 Ų134.381%0.81371%0.71SS**  trans-65.282.5-175.9-87.9-36.9000112.2
238N40Very low45.8Very low132 Ų132136.3 Ų136.371%0.70671%0.714SS**  trans-98.986.7173.4-151.6-10.4000109.4D236 N240D236-N238 VanDerWaalsContact C-N 3.32Å; D236-N238 PolarHBondContact O-N 3Å; N238-N240 PolarHBondContact O-N 3.34Å
239E42.3Very low46.3Very low186 Ų186137.7 Ų137.787%0.86971%0.712SS**  trans-57.6102.9175.7-71.1-168.6153.800110.4E241E239-E241 PolarHBondContact O-N 3.22Å
240N37.6Very low47.1Very low157 Ų157138.3 Ų138.384%0.8471%0.71SS**  trans-65.198.7175.2-89.3-58.7000110.4N238 S242N238-N240 PolarHBondContact O-N 3.34Å; N240-S242 PolarHBondContact O-N 3.1Å; N240-S242 VanDerWaalsContact O-N 3.17Å
241E42.5Very low48.5Very low191 Ų191131.5 Ų131.589%0.89367%0.674SS**  trans-53.8116.3169.2-167.8176.1-15400109.2E239 D243E239-E241 PolarHBondContact O-N 3.22Å; E241-D243 PolarHBondContact O-N 3.45Å
242S42.4Very low50.2Low95 Ų95130.6 Ų130.666%0.66467%0.668SS**  trans-62.5124.6-172.547.10000111.7N240N240-S242 PolarHBondContact O-N 3.1Å; N240-S242 VanDerWaalsContact O-N 3.17Å
243D37.4Very low52.1Low129 Ų129124 Ų12469%0.6963%0.632SS**  trans-45.3122.4-172.9-125.6-34000111.2E241 I245 K246E241-D243 PolarHBondContact O-N 3.45Å; D243-I245 PolarHBondContact O-N 2.98Å; D243-K246 IonicContact OD1-NZ 3.89Å
244P50.1Low53.7Low58 Ų58118.1 Ų118.138%0.37761%0.608SS.*  trans-63.2139.4179.626.1-33.9000109.4K246 A330P244-K246 PolarHBondContact O-N 2.91Å; P244-A330 WeakPolarHBondContact CA-O 3.41Å
245I49.4Very low55.5Low84 Ų84115 Ų11543%0.43160%0.599SS.*  trans-55.8109.1177.3-71162.5000108D243 W247 M318 A330D243-I245 PolarHBondContact O-N 2.98Å; I245-W247 PolarHBondContact O-N 3.4Å; I245-W247 VanDerWaalsContact O-N 3.08Å; I245-M318 HydrophobicContact CD1-CE 3.6Å; I245-A330 PolarHBondContact N-O 3.31Å; I245-A330 VanDerWaalsContact N-O 3.13Å
246K51.5Low57.7Low155 Ų155109.1 Ų109.167%0.67457%0.569SS**  trans-73.2102.7177.7-77.5172.3-177.3151.50108D243 P244 E248D243-K246 IonicContact OD1-NZ 3.89Å; P244-K246 PolarHBondContact O-N 2.91Å; K246-E248 PolarHBondContact O-N 2.92Å
247W60.7Low59.6Low54 Ų54102.8 Ų102.821%0.20554%0.536CS..  trans-69.998.5166.3-62.372.8000106.7I245 E249 F251 R293 L296 Y313I245-W247 PolarHBondContact O-N 3.4Å; I245-W247 VanDerWaalsContact O-N 3.08Å; W247-E249 PolarHBondContact O-N 2.81Å; W247-E249 VanDerWaalsContact O-N 3.1Å; W247-F251 HydrophobicContact CE3-CD2 4.24Å; W247-F251 HydrophobicContact CE3-CE2 4.14Å; W247-F251 HydrophobicContact CZ3-CE2 4.16Å; W247-R293 HydrophobicContact CZ3-CG 4.07Å; W247-L296 HydrophobicContact CH2-CD2 3.71Å; W247-L296 HydrophobicContact CZ2-CD2 4.15Å; W247-Y313 HydrophobicContact CH2-CD1 4.43Å; W247-Y313 AromaticContact CH2-CE1 3.78Å; W247-Y313 HydrophobicContact CH2-CE1 3.78Å; W247-Y313 AromaticContact CH2-CZ 3.96Å; W247-Y313 HydrophobicContact CZ2-CE1 4.42Å
248E51.8Low61.5Low195 Ų195100 Ų10091%0.91152%0.521SS*.  trans-66.8-8.4-174-60.5-174.2150.200114K246K246-E248 PolarHBondContact O-N 2.92Å
249E58.6Low63.3Low127 Ų12795.1 Ų95.159%0.59349%0.494SS*.SBendtrans-113.1133.6179.3-67174160.100111.1W247 F251 R293W247-E249 PolarHBondContact O-N 2.81Å; W247-E249 VanDerWaalsContact O-N 3.1Å; E249-F251 PolarHBondContact O-N 3.47Å; E249-R293 PolarHBondContact O-NH2 2.76Å; E249-R293 IonicContact OE2-CZ 3.68Å; E249-R293 IonicContact OE2-NH1 2.63Å; E249-R293 PolarHBondContact OE2-NH1 3Å; E249-R293 IonicContact OE2-NH2 3.74Å
250E64.6Low64.4Low160 Ų16091.4 Ų91.475%0.74848%0.476SS*.  trans-48.7130.6-179.5-168.2170.1-15600113I252E250-I252 HydrophobicContact CG-CG1 4.37Å
251F71.8Confident65.2Low9 Ų987.9 Ų87.94%0.03946%0.464CS..  trans-106.977.7-170.8-157.4-81.1000111.1W247 E249 V253 Q297 L300 N326 I328W247-F251 HydrophobicContact CE3-CD2 4.24Å; W247-F251 HydrophobicContact CE3-CE2 4.14Å; W247-F251 HydrophobicContact CZ3-CE2 4.16Å; E249-F251 PolarHBondContact O-N 3.47Å; F251-V253 HydrophobicContact CD1-CG2 3.65Å; F251-V253 HydrophobicContact CE1-CG2 3.88Å; F251-V253 PolarHBondContact O-N 2.79Å; F251-Q297 HydrophobicContact CD1-CG 4.27Å; F251-Q297 HydrophobicContact CD2-CG 4.25Å; F251-Q297 HydrophobicContact CE1-CB 4.35Å; F251-Q297 HydrophobicContact CE1-CG 3.56Å; F251-Q297 HydrophobicContact CE2-CG 3.55Å; F251-Q297 HydrophobicContact CZ-CB 4.12Å; F251-Q297 HydrophobicContact CZ-CG 3.16Å; F251-L300 HydrophobicContact CE1-CB 4.39Å; F251-L300 HydrophobicContact CE1-CD1 3.4Å; F251-L300 HydrophobicContact CZ-CD1 3.44Å; F251-L300 VanDerWaalsContact CZ-CD1 3.44Å; F251-N326 CarbonylContact O-C 3.54Å; F251-N326 WeakPolarHBondContact O-CA 3.11Å; F251-N326 VanDerWaalsContact O-O 3.13Å; F251-I328 HydrophobicContact CD1-CD1 4.22Å; F251-I328 HydrophobicContact CD1-CG2 4.47Å; F251-I328 HydrophobicContact CD2-CD1 3.99Å; F251-I328 HydrophobicContact CE1-CD1 4.23Å; F251-I328 HydrophobicContact CE2-CD1 3.98Å; F251-I328 HydrophobicContact CG-CD1 4.11Å; F251-I328 HydrophobicContact CG-CG1 4.42Å; F251-I328 HydrophobicContact CZ-CD1 4.09Å
252I80.2Confident65.6Low101 Ų10185.6 Ų85.652%0.51846%0.458SS..  trans-68.4116.2178.6-55.3176.6000109.8E250 N326E250-I252 HydrophobicContact CG-CG1 4.37Å; I252-N326 WeakPolarHBondContact CA-OD1 3.35Å
253V83.1Confident65.4Low4 Ų485.5 Ų85.52%0.02446%0.457CS..  trans-103.196.9175.4-174.80000108.5F251 L300 R301 N326F251-V253 HydrophobicContact CD1-CG2 3.65Å; F251-V253 HydrophobicContact CE1-CG2 3.88Å; F251-V253 PolarHBondContact O-N 2.79Å; V253-L300 HydrophobicContact CG1-CB 4.3Å; V253-L300 WeakPolarHBondContact CG1-O 3.13Å; V253-L300 HydrophobicContact CG2-CB 4.5Å; V253-R301 HydrophobicContact CG1-CG 4.35Å; V253-N326 PolarHBondContact N-OD1 2.72Å
254G83Confident65.5Low29 Ų2984.4 Ų84.430%0.29946%0.46SS..PPolyproline II helixtrans-62.1167.7178.700000114.1R301G254-R301 WeakPolarHBondContact O-CB 3.35Å; G254-R301 VanDerWaalsContact O-CG 3.3Å; G254-R301 WeakPolarHBondContact O-CG 3.39Å
255S85.4Confident65Low93 Ų9389.3 Ų89.365%0.6548%0.477SS*.PPolyproline II helixtrans-57.4154178.9-49.50000112.9R301S255-R301 VanDerWaalsContact O-CZ 3.27Å; S255-R301 PolarHBondContact O-NE 3Å; S255-R301 PolarHBondContact O-NH2 3.24Å
256P89.1Confident64.3Low35 Ų3591.3 Ų91.323%0.22750%0.496CS..PPolyproline II helixtrans-52.2150.7171.1-24.434000111.8V280P256-V280 HydrophobicContact CB-CG1 4.2Å; P256-V280 HydrophobicContact CG-CG1 3.38Å
257P87.3Confident63.6Low12 Ų1288.5 Ų88.58%0.07850%0.496CS..PPolyproline II helixtrans-63.3159173.528.4-32.8000110.8L152 V153 W278 L302L152-P257 HydrophobicContact CD1-CB 4Å; L152-P257 HydrophobicContact CD1-CG 3.58Å; L152-P257 HydrophobicContact CG-CG 3.82Å; L152-P257 WeakPolarHBondContact O-CB 3.18Å; V153-P257 HydrophobicContact CG1-CG 3.93Å; P257-W278 HydrophobicContact CG-CB 3.88Å; P257-W278 HydrophobicContact CG-CG 4.35Å; P257-W278 WeakPolarHBondContact O-CB 3.43Å; P257-W278 PolarHBondContact O-N 3.02Å; P257-L302 HydrophobicContact CG-CD2 4.03Å
258L82.9Confident62.4Low95 Ų9590.9 Ų90.950%0.49752%0.521SS..BIsolated β-bridgetrans-93.2139.2-178.8-65.9179.4000110.3H260 V275 P277L258-H260 PolarHBondContact O-N 3.01Å; L258-V275 HydrophobicContact CB-CG1 3.61Å; L258-V275 HydrophobicContact CD1-CG1 3.91Å; L258-V275 HydrophobicContact CD2-CG1 4.11Å; L258-V275 HydrophobicContact CG-CG1 4.07Å; L258-P277 HydrophobicContact CD2-CB 4.42Å
259I78.1Confident62Low28 Ų2889.2 Ų89.214%0.14452%0.518CS..  trans-78.9112171.3-61.6167000107.6S261 Q276 W278I259-S261 PolarHBondContact O-N 2.89Å; I259-Q276 WeakPolarHBondContact CB-O 3.43Å; I259-Q276 PolarHBondContact N-O 3.46Å; I259-W278 HydrophobicContact CD1-CE3 4.44Å; I259-W278 HydrophobicContact CG1-CB 4.45Å; I259-W278 HydrophobicContact CG1-CE3 3.76Å; I259-W278 HydrophobicContact CG1-CZ3 4.5Å
260H65.5Low61.2Low108 Ų10890.9 Ų90.950%0.553%0.526SS..  trans-79.6116.1166.1-65.7-67.8000108.7L258 D262L258-H260 PolarHBondContact O-N 3.01Å; H260-D262 PolarHBondContact O-N 3.03Å
261S53.3Low60.1Low84 Ų8489.7 Ų89.759%0.58753%0.53SS*.  trans-60.8124.5172.1-56.50000109.8I259 S263I259-S261 PolarHBondContact O-N 2.89Å; S261-S263 PolarHBondContact O-N 3.04Å
262D51.6Low58.7Low142 Ų14295.8 Ų95.876%0.75956%0.563SS**  trans-66.477.8170.8-76.6-38.5000110.7H260 S264H260-D262 PolarHBondContact O-N 3.03Å; D262-S264 VanDerWaalsContact C-N 3.28Å; D262-S264 PolarHBondContact O-N 3.5Å
263S39.2Very low57.3Low93 Ų9396.6 Ų96.665%0.6557%0.573SS**  trans-80.879.1171.864.30000109.4S261 H265S261-S263 PolarHBondContact O-N 3.04Å; S263-H265 PolarHBondContact O-N 3.44Å
264S38Very low56.1Low107 Ų107103 Ų10375%0.74861%0.607SS**SBendtrans-69.849.8164.954.20000112.1D262D262-S264 VanDerWaalsContact C-N 3.28Å; D262-S264 PolarHBondContact O-N 3.5Å
265H40.7Very low55.4Low160 Ų160104.4 Ų104.474%0.74161%0.609SS**SBendtrans-179.9115.5159.4-89-52.4000108.4S263 S267S263-H265 PolarHBondContact O-N 3.44Å; H265-S267 VanDerWaalsContact C-N 3.33Å; H265-S267 PolarHBondContact O-N 2.85Å
266P33.4Very low55.1Low127 Ų127105.5 Ų105.583%0.82560%0.604SS**  trans-77.784.3171.731.6-32.8000109.7S268P266-S268 PolarHBondContact O-N 3.3Å; P266-S268 VanDerWaalsContact O-N 3.13Å
267S36.4Very low55Low95 Ų95107.3 Ų107.366%0.66462%0.616SS**  trans-70.8102.6165.253.90000108.8H265H265-S267 VanDerWaalsContact C-N 3.33Å; H265-S267 PolarHBondContact O-N 2.85Å
268S36.4Very low55.1Low104 Ų104107.1 Ų107.173%0.72761%0.614SS**SBendtrans-56.1140.1175.146.10000111.4P266P266-S268 PolarHBondContact O-N 3.3Å; P266-S268 VanDerWaalsContact O-N 3.13Å
269N44.1Very low55.6Low161 Ų161104.9 Ų104.986%0.86160%0.604SS**SBendtrans84.840.6176.1-48.6-21.9000118.1
270Q40.5Very low56.4Low161 Ų161105.9 Ų105.975%0.75261%0.612SS**  trans-130.1121.2151.5-99.9176.411.100111D272Q270-D272 VanDerWaalsContact C-N 3.32Å
271T41.5Very low58Low135 Ų135100.8 Ų100.883%0.82859%0.588SS**  trans-92.515.5-179.747.80000113.4T273T271-T273 PolarHBondContact O-N 2.79Å
272D42.1Very low60.1Low138 Ų13898.4 Ų98.474%0.73857%0.569SS**  trans-96.371.4178.1-70.7-31.6000110.7Q270 N274Q270-D272 VanDerWaalsContact C-N 3.32Å; D272-N274 PolarHBondContact O-N 2.82Å
273T51.5Low62.4Low118 Ų11892.7 Ų92.772%0.72454%0.537SS*.  trans-68.387.8163.754.80000108.4T271 V275T271-T273 PolarHBondContact O-N 2.79Å; T273-V275 WeakPolarHBondContact O-CG2 3.09Å; T273-V275 PolarHBondContact O-N 2.97Å
274N58.2Low65.2Low138 Ų13888.3 Ų88.374%0.73851%0.506SS*.  trans-73.470175.2-169.24.2000109.9D272 Q276D272-N274 PolarHBondContact O-N 2.82Å; N274-Q276 PolarHBondContact O-N 2.87Å
275V68.7Low68.1Low58 Ų5883.3 Ų83.335%0.35247%0.471SS..  trans-81.6101-176.7-171.40000108.9L258 T273L258-V275 HydrophobicContact CB-CG1 3.61Å; L258-V275 HydrophobicContact CD1-CG1 3.91Å; L258-V275 HydrophobicContact CD2-CG1 4.11Å; L258-V275 HydrophobicContact CG-CG1 4.07Å; T273-V275 WeakPolarHBondContact O-CG2 3.09Å; T273-V275 PolarHBondContact O-N 2.97Å
276Q78.6Confident70.8Confident117 Ų11775.7 Ų75.755%0.54744%0.436SS..PPolyproline II helixtrans-86.3137.2179.3-168.6176.5-10.500110.4I259 N274I259-Q276 WeakPolarHBondContact CB-O 3.43Å; I259-Q276 PolarHBondContact N-O 3.46Å; N274-Q276 PolarHBondContact O-N 2.87Å
277P86.5Confident73.8Confident72 Ų7270.3 Ų70.347%0.46840%0.403SS..BIsolated β-bridgetrans-65.8147.8170.627.9-34.8000111.4L258L258-P277 HydrophobicContact CD2-CB 4.42Å
278W90.9Very high76.5Confident9 Ų966.6 Ų66.63%0.03438%0.378CS..PPolyproline II helixtrans-62.1143.2174.9-167.2-87.2000110.9I110 L145 L152 P257 I259 L302 V352 E353 P355I110-W278 HydrophobicContact CD1-CZ2 4.21Å; L145-W278 HydrophobicContact CD1-CZ2 4.29Å; L152-W278 HydrophobicContact CD1-CD2 3.75Å; L152-W278 HydrophobicContact CD1-CE3 3.45Å; L152-W278 VanDerWaalsContact CD1-CE3 3.45Å; L152-W278 HydrophobicContact CD1-CG 4.31Å; L152-W278 HydrophobicContact CD1-CH2 4.25Å; L152-W278 HydrophobicContact CD1-CZ3 3.73Å; L152-W278 HydrophobicContact CD2-CD2 3.75Å; L152-W278 HydrophobicContact CD2-CE3 4.14Å; L152-W278 HydrophobicContact CD2-CG 4.29Å; L152-W278 HydrophobicContact CD2-CH2 3.91Å; L152-W278 HydrophobicContact CD2-CZ2 3.5Å; L152-W278 HydrophobicContact CD2-CZ3 4.21Å; L152-W278 HydrophobicContact CG-CD2 4.37Å; L152-W278 HydrophobicContact CG-CE3 4.45Å; P257-W278 HydrophobicContact CG-CB 3.88Å; P257-W278 HydrophobicContact CG-CG 4.35Å; P257-W278 WeakPolarHBondContact O-CB 3.43Å; P257-W278 PolarHBondContact O-N 3.02Å; I259-W278 HydrophobicContact CD1-CE3 4.44Å; I259-W278 HydrophobicContact CG1-CB 4.45Å; I259-W278 HydrophobicContact CG1-CE3 3.76Å; I259-W278 HydrophobicContact CG1-CZ3 4.5Å; W278-L302 HydrophobicContact CG-CD2 4.44Å; W278-V352 HydrophobicContact CH2-CB 4.21Å; W278-V352 HydrophobicContact CH2-CG1 3.9Å; W278-V352 HydrophobicContact CZ2-CG1 4.34Å; W278-E353 WeakPolarHBondContact CH2-O 3.45Å; W278-P355 VanDerWaalsContact CH2-CD 3.45Å; W278-P355 HydrophobicContact CZ2-CG 4.36Å
279P92.3Very high79.3Confident47 Ų4761.8 Ų61.831%0.30534%0.344SS..PPolyproline II helixtrans-56.1141.1178.9-26.835000113.5Y281 P355P279-Y281 WeakPolarHBondContact O-CE2 3.46Å; P279-P355 HydrophobicContact CG-CG 3.94Å
280V95.4Very high81.7Confident50 Ų5054.1 Ų54.130%0.30330%0.304SS..PPolyproline II helixtrans-100.4148.6170.8-69.30000111.1P256 L302 K304P256-V280 HydrophobicContact CB-CG1 4.2Å; P256-V280 HydrophobicContact CG-CG1 3.38Å; V280-L302 CarbonylContact C-O 3.58Å; V280-L302 VanDerWaalsContact CA-O 3.3Å; V280-L302 WeakPolarHBondContact CA-O 3.39Å; V280-K304 HydrophobicContact CB-CG 3.82Å; V280-K304 HydrophobicContact CG2-CD 4.37Å; V280-K304 HydrophobicContact CG2-CG 3.55Å; V280-K304 WeakPolarHBondContact O-CE 3.36Å
281Y98.1Very high84.2Confident1 Ų149.8 Ų49.80%0.00429%0.288CS..EExtended strand (participates in β ladder)trans-115.3145.5-168.8-57.8-88.3000111.3C82 F83 L84 H108 P279 R283 L302 K304C82-Y281 HydrophobicContact CB-CD1 4.03Å; C82-Y281 CarbonylContact O-C 3.56Å; C82-Y281 WeakPolarHBondContact O-CB 3.32Å; F83-Y281 VanDerWaalsContact C-CD1 3.43Å; F83-Y281 WeakPolarHBondContact O-CD1 3.47Å; L84-Y281 HydrophobicContact CB-CD1 3.71Å; L84-Y281 HydrophobicContact CB-CD2 3.81Å; L84-Y281 HydrophobicContact CB-CE1 3.91Å; L84-Y281 HydrophobicContact CB-CE2 4.03Å; L84-Y281 HydrophobicContact CB-CG 3.67Å; L84-Y281 HydrophobicContact CD1-CE2 4.42Å; L84-Y281 HydrophobicContact CD2-CD2 3.99Å; L84-Y281 HydrophobicContact CD2-CE2 3.86Å; L84-Y281 HydrophobicContact CG-CD2 4.46Å; L84-Y281 HydrophobicContact CG-CE2 4.33Å; H108-Y281 HydrophobicContact CB-CE1 4.15Å; H108-Y281 AromaticContact ND1-CE1 3.58Å; H108-Y281 AromaticContact ND1-CZ 3.67Å; H108-Y281 PolarHBondContact ND1-OH 3.21Å; P279-Y281 WeakPolarHBondContact O-CE2 3.46Å; Y281-R283 VanDerWaalsContact C-N 3.31Å; Y281-L302 HydrophobicContact CD2-CB 4.19Å; Y281-L302 PolarHBondContact N-O 2.73Å; Y281-K304 WeakPolarHBondContact O-CB 3.13Å; Y281-K304 WeakPolarHBondContact O-CG 3.4Å; Y281-K304 PolarHBondContact O-N 3.41Å
282D98.5Very high86.5Confident34 Ų3445 Ų4518%0.18226%0.26CS..EExtended strand (participates in β ladder)trans-77.4-26172.5-52.8-81.8000110.8N81 C82 K304 G307 I308N81-D282 HydrophobicContact CB-CB 4.17Å; C82-D282 WeakPolarHBondContact CB-OD2 3.35Å; C82-D282 PolarHBondContact N-OD2 2.88Å; C82-D282 PolarHBondContact O-N 2.84Å; D282-K304 HydrophobicContact CB-CD 4.44Å; D282-K304 WeakPolarHBondContact OD1-CD 3.18Å; D282-K304 IonicContact OD1-NZ 3.05Å; D282-K304 PolarHBondContact OD1-NZ 3.18Å; D282-K304 IonicContact OD2-NZ 3.4Å; D282-K304 PolarHBondContact OD2-NZ 3.15Å; D282-G307 CarbonylContact O-C 3.5Å; D282-G307 WeakPolarHBondContact O-CA 3.5Å; D282-I308 PolarHBondContact O-N 3.01Å
283R98.7Very high88.7Confident22 Ų2241 Ų418%0.08324%0.235CC..EExtended strand (participates in β ladder)trans-141.9130.5-171.7-59.6-62.6-173.2-95.94.5110.4L75 D76 I77 N81 C82 F83 L84 Y281 I308L75-R283 WeakPolarHBondContact O-CD 3.42Å; L75-R283 PolarHBondContact O-NE 2.91Å; D76-R283 PolarHBondContact O-NE 2.85Å; D76-R283 PolarHBondContact O-NH2 3.47Å; D76-R283 IonicContact OD2-NH2 2.76Å; D76-R283 PolarHBondContact OD2-NH2 3.13Å; I77-R283 HydrophobicContact CD1-CB 3.87Å; I77-R283 HydrophobicContact CD1-CG 3.86Å; N81-R283 HydrophobicContact CB-CG 4.36Å; C82-R283 PolarHBondContact O-N 3.27Å; C82-R283 VanDerWaalsContact O-N 3.13Å; F83-R283 VanDerWaalsContact CA-O 3.29Å; F83-R283 WeakPolarHBondContact CA-O 3.49Å; F83-R283 HydrophobicContact CD2-CB 3.84Å; L84-R283 PolarHBondContact N-O 3.47Å; Y281-R283 VanDerWaalsContact C-N 3.31Å; R283-I308 CarbonylContact C-O 3.53Å; R283-I308 VanDerWaalsContact CA-O 3.31Å; R283-I308 WeakPolarHBondContact CA-O 3.45Å
284I98.7Very high90.6Very high0 Ų038.8 Ų38.80%022%0.218CC..EExtended strand (participates in β ladder)trans-132.7131.3177.2-54.9-178.6000109.6L75 L84 V86 V286 I299 L302 L303 I308 L309 V310L75-I284 WeakPolarHBondContact CD2-O 3.15Å; L84-I284 HydrophobicContact CB-CG1 4.22Å; L84-I284 HydrophobicContact CB-CG2 4.34Å; L84-I284 HydrophobicContact CD2-CG2 4.38Å; L84-I284 CarbonylContact O-C 3.56Å; L84-I284 WeakPolarHBondContact O-CA 3.46Å; V86-I284 HydrophobicContact CG2-CG2 4.35Å; I284-V286 HydrophobicContact CG2-CG2 4.38Å; I284-I299 HydrophobicContact CG2-CG2 4.46Å; I284-L302 HydrophobicContact CD1-CB 4Å; I284-L303 HydrophobicContact CB-CD1 4.42Å; I284-L303 HydrophobicContact CD1-CB 3.94Å; I284-L303 HydrophobicContact CD1-CD1 3.82Å; I284-L303 HydrophobicContact CG1-CD1 3.76Å; I284-I308 PolarHBondContact N-O 3.21Å; I284-L309 HydrophobicContact CB-CD1 3.73Å; I284-L309 HydrophobicContact CG2-CD1 3.59Å; I284-L309 CarbonylContact O-C 3.55Å; I284-L309 WeakPolarHBondContact O-CA 3.43Å; I284-V310 PolarHBondContact O-N 3.34Å
285Y98.6Very high92.2Very high3 Ų334.5 Ų34.51%0.01219%0.193CC..EExtended strand (participates in β ladder)trans-111.6144.5166.8176.5-95.5000109.9A71 L75 L84 N85 V86 L93 G287 V310 F317A71-Y285 HydrophobicContact CB-CD2 3.95Å; A71-Y285 HydrophobicContact CB-CE2 3.72Å; L75-Y285 HydrophobicContact CD1-CD2 4.45Å; L84-Y285 PolarHBondContact O-N 3.09Å; N85-Y285 WeakPolarHBondContact OD1-CD1 3.44Å; V86-Y285 PolarHBondContact N-O 3.41Å; L93-Y285 HydrophobicContact CD2-CD1 3.5Å; L93-Y285 HydrophobicContact CD2-CD2 4.08Å; L93-Y285 HydrophobicContact CD2-CE1 3.67Å; L93-Y285 HydrophobicContact CD2-CE2 4.23Å; L93-Y285 HydrophobicContact CD2-CG 3.7Å; Y285-G287 VanDerWaalsContact CE1-CA 3.48Å; Y285-V310 WeakPolarHBondContact CA-O 3.47Å; Y285-V310 HydrophobicContact CD2-CG1 4.44Å; Y285-F317 HydrophobicContact CE2-CE2 4.31Å; Y285-F317 HydrophobicContact CE2-CZ 4.04Å
286V97.9Very high93.4Very high0 Ų031.8 Ų31.80%018%0.177CC..EExtended strand (participates in β ladder)trans-124.1116.7173.2-170.40000109.7V86 I284 A288 V290 L309 V310 V311 P312V86-V286 HydrophobicContact CB-CB 4.37Å; V86-V286 HydrophobicContact CB-CG1 4.13Å; V86-V286 HydrophobicContact CB-CG2 4.15Å; V86-V286 HydrophobicContact CG1-CG1 3.99Å; V86-V286 HydrophobicContact CG2-CG2 4.47Å; V86-V286 WeakPolarHBondContact O-CA 3.47Å; I284-V286 HydrophobicContact CG2-CG2 4.38Å; V286-A288 VanDerWaalsContact C-N 3.29Å; V286-A288 WeakPolarHBondContact CG1-O 3.38Å; V286-A288 PolarHBondContact O-N 3.44Å; V286-V290 HydrophobicContact CG1-CG2 4.09Å; V286-L309 HydrophobicContact CG2-CD1 3.76Å; V286-V310 PolarHBondContact N-O 3.12Å; V286-V311 HydrophobicContact CB-CB 4.2Å; V286-V311 HydrophobicContact CB-CG2 3.94Å; V286-V311 HydrophobicContact CG1-CG2 4.4Å; V286-V311 HydrophobicContact CG2-CB 4.12Å; V286-V311 HydrophobicContact CG2-CG2 4.03Å; V286-P312 WeakPolarHBondContact O-CD 3.36Å
287G95.5Very high94Very high13 Ų1328 Ų2813%0.13416%0.159CC..SBendtrans-84.111.5-178.100000115.7V86 Y285 F338V86-G287 PolarHBondContact O-N 3.36Å; Y285-G287 VanDerWaalsContact CE1-CA 3.48Å; G287-F338 WeakPolarHBondContact O-CD1 3.4Å
288A94.1Very high94.3Very high17 Ų1724.7 Ų24.714%0.1414%0.138CC..SBendtrans-146146.5-176.700000111.1V286 V290 A339 L341V286-A288 VanDerWaalsContact C-N 3.29Å; V286-A288 WeakPolarHBondContact CG1-O 3.38Å; V286-A288 PolarHBondContact O-N 3.44Å; A288-V290 PolarHBondContact O-N 2.97Å; A288-A339 CarbonylContact C-O 3.6Å; A288-A339 WeakPolarHBondContact CA-O 3.25Å; A288-A339 WeakPolarHBondContact CB-O 3.24Å; A288-L341 HydrophobicContact CB-CB 4.14Å; A288-L341 HydrophobicContact CB-CD1 4.12Å
289A94.9Very high94.5Very high3 Ų324.3 Ų24.33%0.02514%0.136CC..BIsolated β-bridgetrans-65.4125.3-174.800000112.2P312 F338 A339 T340 L341A289-P312 CarbonylContact C-O 3.6Å; A289-P312 WeakPolarHBondContact CA-O 3.5Å; A289-F338 HydrophobicContact CB-CB 3.91Å; A289-A339 PolarHBondContact N-O 3.31Å; A289-T340 WeakPolarHBondContact O-CA 3.18Å; A289-L341 PolarHBondContact O-N 2.9Å
290V95Very high94.7Very high1 Ų122.1 Ų22.11%0.00612%0.122CC..BIsolated β-bridgetrans-93.2110.6170.3-177.70000107.9V286 A288 H295 L296 I299 V311 P312 Y313 R314 L341V286-V290 HydrophobicContact CG1-CG2 4.09Å; A288-V290 PolarHBondContact O-N 2.97Å; V290-H295 HydrophobicContact CG1-CB 3.94Å; V290-L296 HydrophobicContact CG1-CB 4.01Å; V290-I299 HydrophobicContact CG2-CD1 4.01Å; V290-V311 HydrophobicContact CB-CG2 4.07Å; V290-V311 HydrophobicContact CG2-CG2 3.67Å; V290-P312 PolarHBondContact N-O 2.63Å; V290-Y313 HydrophobicContact CB-CD2 4.28Å; V290-Y313 HydrophobicContact CG1-CD2 4.23Å; V290-Y313 CarbonylContact O-C 3.54Å; V290-Y313 WeakPolarHBondContact O-CA 3.44Å; V290-Y313 WeakPolarHBondContact O-CD2 3.34Å; V290-R314 PolarHBondContact O-N 2.79Å; V290-L341 HydrophobicContact CG2-CD2 4.21Å
291T91.7Very high94.6Very high69 Ų6921.4 Ų21.442%0.42311%0.114SC..  trans-95.1-22.9-177.751.50000113.4T340T291-T340 HydrophobicContact CG2-CG2 3.92Å
292S90.3Very high94.6Very high34 Ų3421.3 Ų21.324%0.23811%0.114CC..  trans-100130.4-176.4172.70000112.1L294 H295 L296S292-L294 VanDerWaalsContact C-N 3.26Å; S292-L294 PolarHBondContact O-N 3.24Å; S292-L294 PolarHBondContact OG-N 3.13Å; S292-H295 PolarHBondContact O-N 2.79Å; S292-H295 PolarHBondContact OG-N 3.04Å; S292-L296 PolarHBondContact O-N 3.36Å; S292-L296 VanDerWaalsContact O-N 3.09Å
293R89.2Confident94.5Very high56 Ų5619.7 Ų19.721%0.21111%0.105CC..Hα-helixtrans-58.6-38.1171.8178.3174.3178.4164.6-4.3111.9W247 E249 H295 L296 Q297W247-R293 HydrophobicContact CZ3-CG 4.07Å; E249-R293 PolarHBondContact O-NH2 2.76Å; E249-R293 IonicContact OE2-CZ 3.68Å; E249-R293 IonicContact OE2-NH1 2.63Å; E249-R293 PolarHBondContact OE2-NH1 3Å; E249-R293 IonicContact OE2-NH2 3.74Å; R293-H295 VanDerWaalsContact C-N 3.34Å; R293-H295 PolarHBondContact O-N 3.43Å; R293-L296 PolarHBondContact O-N 3.25Å; R293-Q297 HydrophobicContact CG-CG 4.4Å; R293-Q297 WeakPolarHBondContact O-CB 3.44Å; R293-Q297 WeakPolarHBondContact O-CG 3.2Å; R293-Q297 PolarHBondContact O-N 3.1Å
294L89.7Confident94.4Very high71 Ų7121.5 Ų21.537%0.37211%0.113SC..Hα-helixtrans-64.6-38.7178.5-67.5175.4000111.6P155 V157 S292 S298P155-L294 HydrophobicContact CB-CB 4.17Å; P155-L294 HydrophobicContact CG-CB 4.45Å; V157-L294 HydrophobicContact CG2-CD2 3.81Å; S292-L294 VanDerWaalsContact C-N 3.26Å; S292-L294 PolarHBondContact O-N 3.24Å; S292-L294 PolarHBondContact OG-N 3.13Å; L294-S298 WeakPolarHBondContact O-CB 3.23Å; L294-S298 PolarHBondContact O-N 3.3Å; L294-S298 PolarHBondContact O-OG 3.08Å
295H92.6Very high94.3Very high48 Ų4825.4 Ų25.422%0.22214%0.137CC..Hα-helixtrans-68.7-38175.3-64.1174.1000111.6L150 V290 S292 R293 S298 I299L150-H295 HydrophobicContact CD2-CB 3.91Å; V290-H295 HydrophobicContact CG1-CB 3.94Å; S292-H295 PolarHBondContact O-N 2.79Å; S292-H295 PolarHBondContact OG-N 3.04Å; R293-H295 VanDerWaalsContact C-N 3.34Å; R293-H295 PolarHBondContact O-N 3.43Å; H295-S298 WeakPolarHBondContact O-CB 3.41Å; H295-S298 PolarHBondContact O-N 3.09Å; H295-I299 WeakPolarHBondContact O-CG1 3.4Å; H295-I299 PolarHBondContact O-N 2.9Å
296L93.8Very high94.2Very high0 Ų027.2 Ų27.20%016%0.157CC..Hα-helixtrans-64.4-46.8174.2-177.963.5000111.8W247 V290 S292 R293 S298 I299 L300 L309 V311 Y313 I320W247-L296 HydrophobicContact CH2-CD2 3.71Å; W247-L296 HydrophobicContact CZ2-CD2 4.15Å; V290-L296 HydrophobicContact CG1-CB 4.01Å; S292-L296 PolarHBondContact O-N 3.36Å; S292-L296 VanDerWaalsContact O-N 3.09Å; R293-L296 PolarHBondContact O-N 3.25Å; L296-S298 VanDerWaalsContact C-N 3.3Å; L296-S298 PolarHBondContact O-N 3.42Å; L296-I299 PolarHBondContact O-N 2.79Å; L296-L300 HydrophobicContact CD1-CD1 4.29Å; L296-L300 HydrophobicContact CG-CD1 4.03Å; L296-L300 WeakPolarHBondContact O-CG 3.25Å; L296-L300 PolarHBondContact O-N 2.88Å; L296-L309 HydrophobicContact CD1-CD2 3.75Å; L296-V311 HydrophobicContact CD1-CG1 4.14Å; L296-Y313 HydrophobicContact CB-CD2 4.39Å; L296-Y313 HydrophobicContact CB-CE2 4.22Å; L296-Y313 HydrophobicContact CD2-CD2 3.82Å; L296-Y313 HydrophobicContact CD2-CE2 3.89Å; L296-Y313 HydrophobicContact CD2-CG 4.25Å; L296-I320 HydrophobicContact CD1-CD1 4Å; L296-I320 HydrophobicContact CD2-CD1 3.94Å; L296-I320 HydrophobicContact CG-CD1 4.45Å
297Q92.2Very high94.3Very high38 Ų3827.3 Ų27.318%0.17816%0.157CC..Hα-helixtrans-55.3-46172.6-80.7172.4-39.300111.2F251 R293 L300 R301F251-Q297 HydrophobicContact CD1-CG 4.27Å; F251-Q297 HydrophobicContact CD2-CG 4.25Å; F251-Q297 HydrophobicContact CE1-CB 4.35Å; F251-Q297 HydrophobicContact CE1-CG 3.56Å; F251-Q297 HydrophobicContact CE2-CG 3.55Å; F251-Q297 HydrophobicContact CZ-CB 4.12Å; F251-Q297 HydrophobicContact CZ-CG 3.16Å; R293-Q297 HydrophobicContact CG-CG 4.4Å; R293-Q297 WeakPolarHBondContact O-CB 3.44Å; R293-Q297 WeakPolarHBondContact O-CG 3.2Å; R293-Q297 PolarHBondContact O-N 3.1Å; Q297-L300 PolarHBondContact O-N 3.39Å; Q297-R301 PolarHBondContact O-N 3.45Å
298S92.1Very high94.4Very high3 Ų327.2 Ų27.22%0.02115%0.154CC..Hα-helixtrans-57.4-48.5174.9-930000113.5V153 P155 L294 H295 L296 L300 R301V153-S298 WeakPolarHBondContact CB-O 3.45Å; V153-S298 WeakPolarHBondContact CG1-O 3.35Å; V153-S298 WeakPolarHBondContact O-CB 3.47Å; V153-S298 PolarHBondContact O-OG 3.14Å; P155-S298 WeakPolarHBondContact CA-OG 3.32Å; L294-S298 WeakPolarHBondContact O-CB 3.23Å; L294-S298 PolarHBondContact O-N 3.3Å; L294-S298 PolarHBondContact O-OG 3.08Å; H295-S298 WeakPolarHBondContact O-CB 3.41Å; H295-S298 PolarHBondContact O-N 3.09Å; L296-S298 VanDerWaalsContact C-N 3.3Å; L296-S298 PolarHBondContact O-N 3.42Å; S298-L300 VanDerWaalsContact C-N 3.32Å; S298-L300 PolarHBondContact O-N 2.88Å; S298-R301 VanDerWaalsContact O-CB 3.25Å; S298-R301 WeakPolarHBondContact O-CB 3.48Å; S298-R301 WeakPolarHBondContact O-CD 3.44Å; S298-R301 VanDerWaalsContact O-CG 3.29Å; S298-R301 WeakPolarHBondContact O-CG 3.49Å; S298-R301 PolarHBondContact O-N 2.93Å
299I95.2Very high94.6Very high0 Ų026.4 Ų26.40%015%0.147CC..Hα-helixtrans-65.4-37179.2-68.4165.6000111.1I149 V153 I284 V290 H295 L296 R301 L302 L309 L341I149-I299 HydrophobicContact CG1-CG1 4.22Å; V153-I299 HydrophobicContact CG2-CG1 4.21Å; I284-I299 HydrophobicContact CG2-CG2 4.46Å; V290-I299 HydrophobicContact CG2-CD1 4.01Å; H295-I299 WeakPolarHBondContact O-CG1 3.4Å; H295-I299 PolarHBondContact O-N 2.9Å; L296-I299 PolarHBondContact O-N 2.79Å; I299-R301 PolarHBondContact O-N 3.13Å; I299-L302 WeakPolarHBondContact O-CB 3.48Å; I299-L302 PolarHBondContact O-N 3.09Å; I299-L309 HydrophobicContact CG2-CD1 4.38Å; I299-L341 HydrophobicContact CD1-CD2 4.07Å
300L95.6Very high94.8Very high1 Ų126.2 Ų26.21%0.00515%0.146CC..Hα-helixtrans-64.7-17.8178.5-78.2163000114F251 V253 L296 Q297 S298 L302 L303 L309 I320 I328F251-L300 HydrophobicContact CE1-CB 4.39Å; F251-L300 HydrophobicContact CE1-CD1 3.4Å; F251-L300 HydrophobicContact CZ-CD1 3.44Å; F251-L300 VanDerWaalsContact CZ-CD1 3.44Å; V253-L300 HydrophobicContact CG1-CB 4.3Å; V253-L300 WeakPolarHBondContact CG1-O 3.13Å; V253-L300 HydrophobicContact CG2-CB 4.5Å; L296-L300 HydrophobicContact CD1-CD1 4.29Å; L296-L300 HydrophobicContact CG-CD1 4.03Å; L296-L300 WeakPolarHBondContact O-CG 3.25Å; L296-L300 PolarHBondContact O-N 2.88Å; Q297-L300 PolarHBondContact O-N 3.39Å; S298-L300 VanDerWaalsContact C-N 3.32Å; S298-L300 PolarHBondContact O-N 2.88Å; L300-L302 PolarHBondContact O-N 3Å; L300-L303 HydrophobicContact CD2-CB 4.17Å; L300-L303 HydrophobicContact CD2-CD2 3.55Å; L300-L303 WeakPolarHBondContact O-CB 3.38Å; L300-L303 PolarHBondContact O-N 2.85Å; L300-L309 HydrophobicContact CD2-CB 4.35Å; L300-L309 HydrophobicContact CD2-CD2 3.68Å; L300-L309 HydrophobicContact CG-CD2 3.91Å; L300-I320 HydrophobicContact CD1-CG2 4.44Å; L300-I320 HydrophobicContact CD2-CG2 4.14Å; L300-I328 HydrophobicContact CD1-CD1 4.45Å
301R95.1Very high94.9Very high35 Ų3526.2 Ų26.213%0.13215%0.145CC..THydrogen-bonded Turntrans-59.5-24169.3-56.6168.457.5-167.5-6.4112.6V154 V253 G254 S255 Q297 S298 I299V154-R301 PolarHBondContact O-NH1 2.75Å; V253-R301 HydrophobicContact CG1-CG 4.35Å; G254-R301 WeakPolarHBondContact O-CB 3.35Å; G254-R301 VanDerWaalsContact O-CG 3.3Å; G254-R301 WeakPolarHBondContact O-CG 3.39Å; S255-R301 VanDerWaalsContact O-CZ 3.27Å; S255-R301 PolarHBondContact O-NE 3Å; S255-R301 PolarHBondContact O-NH2 3.24Å; Q297-R301 PolarHBondContact O-N 3.45Å; S298-R301 VanDerWaalsContact O-CB 3.25Å; S298-R301 WeakPolarHBondContact O-CB 3.48Å; S298-R301 WeakPolarHBondContact O-CD 3.44Å; S298-R301 VanDerWaalsContact O-CG 3.29Å; S298-R301 WeakPolarHBondContact O-CG 3.49Å; S298-R301 PolarHBondContact O-N 2.93Å; I299-R301 PolarHBondContact O-N 3.13Å
302L96.2Very high95.1Very high0 Ų022.9 Ų22.90%013%0.125CC..THydrogen-bonded Turntrans-89-9176.8-54.9-177.4000113.1L84 I149 V153 P257 W278 V280 Y281 I284 I299 L300L84-L302 HydrophobicContact CD2-CD1 3.81Å; I149-L302 HydrophobicContact CD1-CD1 3.76Å; V153-L302 HydrophobicContact CG1-CD1 3.98Å; V153-L302 HydrophobicContact CG1-CD2 3.99Å; V153-L302 HydrophobicContact CG1-CG 3.85Å; P257-L302 HydrophobicContact CG-CD2 4.03Å; W278-L302 HydrophobicContact CG-CD2 4.44Å; V280-L302 CarbonylContact C-O 3.58Å; V280-L302 VanDerWaalsContact CA-O 3.3Å; V280-L302 WeakPolarHBondContact CA-O 3.39Å; Y281-L302 HydrophobicContact CD2-CB 4.19Å; Y281-L302 PolarHBondContact N-O 2.73Å; I284-L302 HydrophobicContact CD1-CB 4Å; I299-L302 WeakPolarHBondContact O-CB 3.48Å; I299-L302 PolarHBondContact O-N 3.09Å; L300-L302 PolarHBondContact O-N 3Å
303L97.8Very high95.4Very high0 Ų022 Ų220%012%0.117CC..EExtended strand (participates in β ladder)trans-91.9126.1-177.9-167.969.3000110.6I284 L300 L309 R322I284-L303 HydrophobicContact CB-CD1 4.42Å; I284-L303 HydrophobicContact CD1-CB 3.94Å; I284-L303 HydrophobicContact CD1-CD1 3.82Å; I284-L303 HydrophobicContact CG1-CD1 3.76Å; L300-L303 HydrophobicContact CD2-CB 4.17Å; L300-L303 HydrophobicContact CD2-CD2 3.55Å; L300-L303 WeakPolarHBondContact O-CB 3.38Å; L300-L303 PolarHBondContact O-N 2.85Å; L303-L309 HydrophobicContact CD2-CB 3.93Å; L303-R322 HydrophobicContact CD2-CB 3.91Å; L303-R322 HydrophobicContact CG-CB 4.41Å; L303-R322 VanDerWaalsContact O-CD 3.3Å; L303-R322 WeakPolarHBondContact O-CD 3.11Å; L303-R322 PolarHBondContact O-NH1 3.48Å
304K97.2Very high95.4Very high60 Ų6026.3 Ų26.326%0.26113%0.133SC..EExtended strand (participates in β ladder)trans-62.4154.4172.6-70.7169.5176.5174.70111.4V280 Y281 D282 G307V280-K304 HydrophobicContact CB-CG 3.82Å; V280-K304 HydrophobicContact CG2-CD 4.37Å; V280-K304 HydrophobicContact CG2-CG 3.55Å; V280-K304 WeakPolarHBondContact O-CE 3.36Å; Y281-K304 WeakPolarHBondContact O-CB 3.13Å; Y281-K304 WeakPolarHBondContact O-CG 3.4Å; Y281-K304 PolarHBondContact O-N 3.41Å; D282-K304 HydrophobicContact CB-CD 4.44Å; D282-K304 WeakPolarHBondContact OD1-CD 3.18Å; D282-K304 IonicContact OD1-NZ 3.05Å; D282-K304 PolarHBondContact OD1-NZ 3.18Å; D282-K304 IonicContact OD2-NZ 3.4Å; D282-K304 PolarHBondContact OD2-NZ 3.15Å; K304-G307 WeakPolarHBondContact O-CA 3.29Å; K304-G307 PolarHBondContact O-N 3.39Å
305V96.1Very high95.5Very high81 Ų8127.3 Ų27.349%0.49114%0.139SC..EExtended strand (participates in β ladder)trans-61.8135.6161.2-179.50000108.6G307 R322 I323V305-G307 VanDerWaalsContact C-N 3.26Å; V305-R322 HydrophobicContact CG2-CG 4.33Å; V305-I323 WeakPolarHBondContact CG1-O 3.37Å
306G96.9Very high95.6Very high42 Ų4227.7 Ų27.743%0.43314%0.14SC..EExtended strand (participates in β ladder)trans83.7-10.4-166.800000114.7R322G306-R322 WeakPolarHBondContact CA-O 3.13Å; G306-R322 PolarHBondContact N-O 3.35Å
307G98.2Very high95.7Very high1 Ų127.7 Ų27.71%0.0114%0.14CC..EExtended strand (participates in β ladder)trans-78.6161.1-176.500000114.5D282 K304 V305 K321 R322D282-G307 CarbonylContact O-C 3.5Å; D282-G307 WeakPolarHBondContact O-CA 3.5Å; K304-G307 WeakPolarHBondContact O-CA 3.29Å; K304-G307 PolarHBondContact O-N 3.39Å; V305-G307 VanDerWaalsContact C-N 3.26Å; G307-K321 WeakPolarHBondContact O-CA 3.36Å; G307-R322 PolarHBondContact O-N 3.2Å; G307-R322 VanDerWaalsContact O-N 3.08Å
308I98.5Very high95.9Very high11 Ų1126.1 Ų26.16%0.05613%0.133CC..EExtended strand (participates in β ladder)trans-120.5129.4179.1-56.1171.7000110.8D76 D282 R283 I284 V310 K319 I320 K321D76-I308 HydrophobicContact CB-CD1 4.37Å; D282-I308 PolarHBondContact O-N 3.01Å; R283-I308 CarbonylContact C-O 3.53Å; R283-I308 VanDerWaalsContact CA-O 3.31Å; R283-I308 WeakPolarHBondContact CA-O 3.45Å; I284-I308 PolarHBondContact N-O 3.21Å; I308-V310 HydrophobicContact CG2-CG2 4.35Å; I308-K319 HydrophobicContact CG2-CG 3.93Å; I308-I320 CarbonylContact C-O 3.54Å; I308-I320 WeakPolarHBondContact CA-O 3.42Å; I308-K321 HydrophobicContact CG1-CG 4.37Å
309L98.5Very high96.2Very high0 Ų028.8 Ų28.80%014%0.144CC..EExtended strand (participates in β ladder)trans-107.8129.1169.3166.867.7000109I284 V286 L296 I299 L300 L303 V311 I320I284-L309 HydrophobicContact CB-CD1 3.73Å; I284-L309 HydrophobicContact CG2-CD1 3.59Å; I284-L309 CarbonylContact O-C 3.55Å; I284-L309 WeakPolarHBondContact O-CA 3.43Å; V286-L309 HydrophobicContact CG2-CD1 3.76Å; L296-L309 HydrophobicContact CD1-CD2 3.75Å; I299-L309 HydrophobicContact CG2-CD1 4.38Å; L300-L309 HydrophobicContact CD2-CB 4.35Å; L300-L309 HydrophobicContact CD2-CD2 3.68Å; L300-L309 HydrophobicContact CG-CD2 3.91Å; L303-L309 HydrophobicContact CD2-CB 3.93Å; L309-V311 HydrophobicContact CD1-CB 4.13Å; L309-V311 HydrophobicContact CD1-CG1 4.4Å; L309-V311 HydrophobicContact CD2-CB 4.46Å; L309-V311 HydrophobicContact CD2-CG1 3.95Å; L309-V311 HydrophobicContact CG-CB 4.13Å; L309-V311 HydrophobicContact CG-CG1 3.86Å; L309-I320 HydrophobicContact CB-CB 4.32Å; L309-I320 HydrophobicContact CD2-CD1 4.34Å; L309-I320 PolarHBondContact N-O 3.29Å; L309-I320 PolarHBondContact O-N 3.31Å
310V98.4Very high96.2Very high0 Ų028.8 Ų28.80%014%0.144CC..EExtended strand (participates in β ladder)trans-112.7121.7167.2175.60000108.8A71 N74 L75 I284 Y285 V286 I308 F317 M318 L333A71-V310 HydrophobicContact CB-CG1 4.4Å; N74-V310 HydrophobicContact CB-CG2 4.05Å; L75-V310 HydrophobicContact CD2-CB 4.02Å; L75-V310 HydrophobicContact CD2-CG2 3.83Å; L75-V310 HydrophobicContact CG-CB 4.16Å; L75-V310 HydrophobicContact CG-CG2 3.81Å; I284-V310 PolarHBondContact O-N 3.34Å; Y285-V310 WeakPolarHBondContact CA-O 3.47Å; Y285-V310 HydrophobicContact CD2-CG1 4.44Å; V286-V310 PolarHBondContact N-O 3.12Å; I308-V310 HydrophobicContact CG2-CG2 4.35Å; V310-F317 HydrophobicContact CG1-CD1 4.48Å; V310-F317 HydrophobicContact CG1-CE1 3.71Å; V310-F317 HydrophobicContact CG1-CE2 3.74Å; V310-F317 HydrophobicContact CG1-CZ 3.28Å; V310-M318 WeakPolarHBondContact CA-O 3.37Å; V310-L333 HydrophobicContact CG1-CD1 4.3Å
311V97.9Very high96.3Very high0 Ų033.1 Ų33.10%016%0.163CC..EExtended strand (participates in β ladder)trans-148.5134.7-16855.30000111.2V286 V290 L296 L309 Y313 M318 I320V286-V311 HydrophobicContact CB-CB 4.2Å; V286-V311 HydrophobicContact CB-CG2 3.94Å; V286-V311 HydrophobicContact CG1-CG2 4.4Å; V286-V311 HydrophobicContact CG2-CB 4.12Å; V286-V311 HydrophobicContact CG2-CG2 4.03Å; V290-V311 HydrophobicContact CB-CG2 4.07Å; V290-V311 HydrophobicContact CG2-CG2 3.67Å; L296-V311 HydrophobicContact CD1-CG1 4.14Å; L309-V311 HydrophobicContact CD1-CB 4.13Å; L309-V311 HydrophobicContact CD1-CG1 4.4Å; L309-V311 HydrophobicContact CD2-CB 4.46Å; L309-V311 HydrophobicContact CD2-CG1 3.95Å; L309-V311 HydrophobicContact CG-CB 4.13Å; L309-V311 HydrophobicContact CG-CG1 3.86Å; V311-Y313 PolarHBondContact O-N 3.47Å; V311-M318 PolarHBondContact N-O 3.13Å; V311-M318 PolarHBondContact O-N 3.09Å; V311-I320 HydrophobicContact CG1-CD1 3.97Å
312P96.6Very high96.4Very high0 Ų032.6 Ų32.60%016%0.161CC..EExtended strand (participates in β ladder)trans-71.6104.2160.126.1-24.7000108.3V286 A289 V290 K316 F317 V336 F338V286-P312 WeakPolarHBondContact O-CD 3.36Å; A289-P312 CarbonylContact C-O 3.6Å; A289-P312 WeakPolarHBondContact CA-O 3.5Å; V290-P312 PolarHBondContact N-O 2.63Å; P312-K316 CarbonylContact C-O 3.54Å; P312-K316 WeakPolarHBondContact CA-O 3.29Å; P312-F317 HydrophobicContact CB-CD2 4.14Å; P312-V336 HydrophobicContact CB-CG2 4.02Å; P312-F338 HydrophobicContact CB-CB 4.24Å; P312-F338 HydrophobicContact CB-CD2 3.65Å; P312-F338 HydrophobicContact CB-CE2 3.99Å; P312-F338 HydrophobicContact CB-CG 3.93Å; P312-F338 HydrophobicContact CG-CB 4.19Å; P312-F338 HydrophobicContact CG-CD1 3.89Å; P312-F338 HydrophobicContact CG-CD2 3.92Å; P312-F338 HydrophobicContact CG-CE1 4.1Å; P312-F338 HydrophobicContact CG-CE2 4.15Å; P312-F338 HydrophobicContact CG-CG 3.77Å; P312-F338 HydrophobicContact CG-CZ 4.21Å
313Y95.3Very high96.3Very high15 Ų1535.4 Ų35.46%0.05918%0.175CC..EExtended strand (participates in β ladder)trans-101.4112.8173.7-177.7-112.1000108.6W247 V290 L296 V311 D315 K316 M318W247-Y313 HydrophobicContact CH2-CD1 4.43Å; W247-Y313 AromaticContact CH2-CE1 3.78Å; W247-Y313 HydrophobicContact CH2-CE1 3.78Å; W247-Y313 AromaticContact CH2-CZ 3.96Å; W247-Y313 HydrophobicContact CZ2-CE1 4.42Å; V290-Y313 HydrophobicContact CB-CD2 4.28Å; V290-Y313 HydrophobicContact CG1-CD2 4.23Å; V290-Y313 CarbonylContact O-C 3.54Å; V290-Y313 WeakPolarHBondContact O-CA 3.44Å; V290-Y313 WeakPolarHBondContact O-CD2 3.34Å; L296-Y313 HydrophobicContact CB-CD2 4.39Å; L296-Y313 HydrophobicContact CB-CE2 4.22Å; L296-Y313 HydrophobicContact CD2-CD2 3.82Å; L296-Y313 HydrophobicContact CD2-CE2 3.89Å; L296-Y313 HydrophobicContact CD2-CG 4.25Å; V311-Y313 PolarHBondContact O-N 3.47Å; Y313-D315 PolarHBondContact O-N 2.92Å; Y313-K316 PolarHBondContact N-O 3.48Å; Y313-K316 PolarHBondContact O-N 3.31Å; Y313-K316 VanDerWaalsContact O-N 3.08Å; Y313-M318 HydrophobicContact CD1-SD 3.88Å; Y313-M318 HydrophobicContact CG-SD 4.28Å
314R90.4Very high96.1Very high146 Ų14640.2 Ų40.255%0.55120%0.198SC*.THydrogen-bonded Turntrans55.1-119.5-167.2-54.2172.9179.7168.7-1.7110.9V290V290-R314 PolarHBondContact O-N 2.79Å
315D91.3Very high95.8Very high93 Ų9343.7 Ų43.750%0.49722%0.215SC..THydrogen-bonded Turntrans-91.7-0.5179.161.1-54.8000113.6Y313 S335 V336Y313-D315 PolarHBondContact O-N 2.92Å; D315-S335 CarbonylContact O-C 3.58Å; D315-S335 WeakPolarHBondContact O-CA 3.44Å; D315-V336 CarbonylContact C-O 3.49Å; D315-V336 PolarHBondContact O-N 3.46Å; D315-V336 VanDerWaalsContact O-O 3.06Å
316K93.7Very high95.5Very high55 Ų5542.8 Ų42.824%0.23921%0.207CC..EExtended strand (participates in β ladder)trans-113.8130.3-173.5-56.6-50.2-161.6151.10111.7P312 Y313 M318 E332 S335P312-K316 CarbonylContact C-O 3.54Å; P312-K316 WeakPolarHBondContact CA-O 3.29Å; Y313-K316 PolarHBondContact N-O 3.48Å; Y313-K316 PolarHBondContact O-N 3.31Å; Y313-K316 VanDerWaalsContact O-N 3.08Å; K316-M318 HydrophobicContact CB-CG 4.01Å; K316-E332 HydrophobicContact CB-CG 4.35Å; K316-E332 VanDerWaalsContact CD-CD 3.48Å; K316-E332 HydrophobicContact CD-CG 4.35Å; K316-E332 WeakPolarHBondContact CD-OE1 3.31Å; K316-E332 VanDerWaalsContact CD-OE2 3.32Å; K316-E332 WeakPolarHBondContact CD-OE2 3.48Å; K316-E332 WeakPolarHBondContact CE-OE2 3.39Å; K316-E332 VanDerWaalsContact NZ-CD 3.26Å; K316-E332 IonicContact NZ-OE1 3.26Å; K316-E332 PolarHBondContact NZ-OE1 2.78Å; K316-E332 IonicContact NZ-OE2 3.73Å; K316-E332 PolarHBondContact NZ-OE2 3.11Å; K316-S335 PolarHBondContact NZ-OG 2.74Å
317F96Very high95.2Very high0 Ų045.3 Ų45.30%021%0.206CC..EExtended strand (participates in β ladder)trans-82.7117.2168.1-159.8-131.8000108.1I67 V70 A71 Y285 V310 P312 L333 M334 V336 F338I67-F317 HydrophobicContact CG2-CZ 4.32Å; V70-F317 HydrophobicContact CB-CE1 4.4Å; V70-F317 HydrophobicContact CG1-CD1 3.96Å; V70-F317 HydrophobicContact CG1-CE1 3.92Å; A71-F317 HydrophobicContact CB-CE1 4.29Å; A71-F317 HydrophobicContact CB-CZ 3.98Å; Y285-F317 HydrophobicContact CE2-CE2 4.31Å; Y285-F317 HydrophobicContact CE2-CZ 4.04Å; V310-F317 HydrophobicContact CG1-CD1 4.48Å; V310-F317 HydrophobicContact CG1-CE1 3.71Å; V310-F317 HydrophobicContact CG1-CE2 3.74Å; V310-F317 HydrophobicContact CG1-CZ 3.28Å; P312-F317 HydrophobicContact CB-CD2 4.14Å; F317-L333 HydrophobicContact CD1-CB 4.2Å; F317-L333 HydrophobicContact CD1-CD1 3.87Å; F317-L333 HydrophobicContact CE1-CD1 4.15Å; F317-L333 WeakPolarHBondContact O-CB 3.49Å; F317-L333 PolarHBondContact O-N 3.08Å; F317-M334 HydrophobicContact CB-CG 3.92Å; F317-M334 WeakPolarHBondContact CB-O 3.47Å; F317-M334 HydrophobicContact CD1-CG 4.17Å; F317-M334 PolarHBondContact N-O 3.21Å; F317-V336 HydrophobicContact CB-CB 4.45Å; F317-V336 HydrophobicContact CB-CG1 3.8Å; F317-V336 HydrophobicContact CB-CG2 3.75Å; F317-V336 HydrophobicContact CD2-CG2 4.49Å; F317-V336 HydrophobicContact CG-CG1 4.39Å; F317-V336 HydrophobicContact CG-CG2 4.5Å; F317-F338 HydrophobicContact CD2-CE2 4.42Å; F317-F338 HydrophobicContact CE2-CZ 4.35Å
318M96.7Very high95Very high6 Ų646.3 Ų46.33%0.0321%0.211CC..EExtended strand (participates in β ladder)trans-120.7144.8-169.2-60.1-166.774.500111.9I245 V310 V311 Y313 K316 I320 A330 S331I245-M318 HydrophobicContact CD1-CE 3.6Å; V310-M318 WeakPolarHBondContact CA-O 3.37Å; V311-M318 PolarHBondContact N-O 3.13Å; V311-M318 PolarHBondContact O-N 3.09Å; Y313-M318 HydrophobicContact CD1-SD 3.88Å; Y313-M318 HydrophobicContact CG-SD 4.28Å; K316-M318 HydrophobicContact CB-CG 4.01Å; M318-I320 HydrophobicContact CB-CG1 4.45Å; M318-A330 HydrophobicContact CE-CB 3.98Å; M318-S331 WeakPolarHBondContact CA-O 3.27Å
319K97.8Very high94.7Very high58 Ų5848.4 Ų48.425%0.25222%0.224SC..EExtended strand (participates in β ladder)trans-100.6126.9162.7179.9-174.4-170.1170.90108.1N74 I308 A330 S331 L333N74-K319 HydrophobicContact CB-CD 4.14Å; N74-K319 VanDerWaalsContact O-CE 3.26Å; N74-K319 WeakPolarHBondContact O-CE 3.41Å; I308-K319 HydrophobicContact CG2-CG 3.93Å; K319-A330 WeakPolarHBondContact O-CA 3.34Å; K319-S331 PolarHBondContact N-O 2.97Å; K319-S331 PolarHBondContact O-N 3.36Å; K319-L333 HydrophobicContact CB-CD1 4.15Å; K319-L333 HydrophobicContact CB-CD2 3.91Å; K319-L333 HydrophobicContact CB-CG 4.18Å
320I96.9Very high94.6Very high0 Ų048.5 Ų48.50%023%0.225CC..EExtended strand (participates in β ladder)trans-124.3125.6177.8-60175.8000108.2L296 L300 I308 L309 V311 M318 I328 T329 A330L296-I320 HydrophobicContact CD1-CD1 4Å; L296-I320 HydrophobicContact CD2-CD1 3.94Å; L296-I320 HydrophobicContact CG-CD1 4.45Å; L300-I320 HydrophobicContact CD1-CG2 4.44Å; L300-I320 HydrophobicContact CD2-CG2 4.14Å; I308-I320 CarbonylContact C-O 3.54Å; I308-I320 WeakPolarHBondContact CA-O 3.42Å; L309-I320 HydrophobicContact CB-CB 4.32Å; L309-I320 HydrophobicContact CD2-CD1 4.34Å; L309-I320 PolarHBondContact N-O 3.29Å; L309-I320 PolarHBondContact O-N 3.31Å; V311-I320 HydrophobicContact CG1-CD1 3.97Å; M318-I320 HydrophobicContact CB-CG1 4.45Å; I320-I328 HydrophobicContact CG2-CB 3.98Å; I320-I328 HydrophobicContact CG2-CD1 4Å; I320-I328 HydrophobicContact CG2-CG2 4.18Å; I320-T329 CarbonylContact C-O 3.37Å; I320-T329 VanDerWaalsContact CA-O 3.28Å; I320-T329 WeakPolarHBondContact CA-O 3.49Å; I320-A330 HydrophobicContact CG1-CB 4.09Å
321K97Very high94.4Very high93 Ų9350.5 Ų50.540%0.40424%0.239SC..EExtended strand (participates in β ladder)trans-114.2124.1176.8-176.8-179.2-179.7179.40109.5G307 I308 I323 I328 T329G307-K321 WeakPolarHBondContact O-CA 3.36Å; I308-K321 HydrophobicContact CG1-CG 4.37Å; K321-I323 HydrophobicContact CD-CG2 4.18Å; K321-I323 HydrophobicContact CG-CG2 4.06Å; K321-I323 PolarHBondContact O-N 3.4Å; K321-I328 CarbonylContact O-C 3.5Å; K321-I328 VanDerWaalsContact O-CA 3.27Å; K321-I328 WeakPolarHBondContact O-CA 3.48Å; K321-T329 PolarHBondContact N-O 2.93Å; K321-T329 PolarHBondContact O-N 2.72Å
322R96Very high94.3Very high23 Ų2354.4 Ų54.49%0.08726%0.258CS..EExtended strand (participates in β ladder)trans-80.4112.6172.7-175.2177.5-172.1-174.73.6107.9L303 V305 G306 G307 E324 E325 I328L303-R322 HydrophobicContact CD2-CB 3.91Å; L303-R322 HydrophobicContact CG-CB 4.41Å; L303-R322 VanDerWaalsContact O-CD 3.3Å; L303-R322 WeakPolarHBondContact O-CD 3.11Å; L303-R322 PolarHBondContact O-NH1 3.48Å; V305-R322 HydrophobicContact CG2-CG 4.33Å; G306-R322 WeakPolarHBondContact CA-O 3.13Å; G306-R322 PolarHBondContact N-O 3.35Å; G307-R322 PolarHBondContact O-N 3.2Å; G307-R322 VanDerWaalsContact O-N 3.08Å; R322-E324 WeakPolarHBondContact CG-O 3.42Å; R322-E325 VanDerWaalsContact CZ-O 3.25Å; R322-E325 PolarHBondContact NE-O 3Å; R322-E325 PolarHBondContact NH2-O 3.42Å; R322-I328 HydrophobicContact CB-CG2 4.43Å
323I94.5Very high94.2Very high60 Ų6056.5 Ų56.531%0.30827%0.268SS..EExtended strand (participates in β ladder)trans-98.7-30.6-174.457166.4000112.8V305 K321 K327 T329V305-I323 WeakPolarHBondContact CG1-O 3.37Å; K321-I323 HydrophobicContact CD-CG2 4.18Å; K321-I323 HydrophobicContact CG-CG2 4.06Å; K321-I323 PolarHBondContact O-N 3.4Å; I323-K327 HydrophobicContact CD1-CD 3.65Å; I323-K327 HydrophobicContact CD1-CG 3.85Å; I323-K327 HydrophobicContact CG1-CB 4.03Å; I323-K327 HydrophobicContact CG1-CD 3.95Å; I323-K327 HydrophobicContact CG1-CG 3.86Å; I323-K327 WeakPolarHBondContact CG1-O 3.45Å; I323-K327 PolarHBondContact N-O 3.04Å; I323-T329 HydrophobicContact CD1-CG2 3.97Å; I323-T329 HydrophobicContact CG2-CG2 4.38Å
324E93.3Very high94.1Very high101 Ų10158.9 Ų58.947%0.47228%0.281SS..EExtended strand (participates in β ladder)trans-138.9-177.4172.3-59.9159.2-14700108.2R322 N326 K327R322-E324 WeakPolarHBondContact CG-O 3.42Å; E324-N326 PolarHBondContact O-N 3.18Å; E324-K327 HydrophobicContact CB-CB 3.85Å; E324-K327 HydrophobicContact CB-CD 4.38Å; E324-K327 HydrophobicContact CG-CB 4.47Å; E324-K327 HydrophobicContact CG-CD 4.15Å; E324-K327 PolarHBondContact N-O 2.99Å; E324-K327 VanDerWaalsContact OE1-CD 3.22Å; E324-K327 WeakPolarHBondContact OE1-CD 3.45Å; E324-K327 WeakPolarHBondContact OE1-CE 3.25Å; E324-K327 IonicContact OE1-NZ 2.66Å; E324-K327 PolarHBondContact OE1-NZ 2.99Å; E324-K327 VanDerWaalsContact OE2-CD 3.31Å; E324-K327 WeakPolarHBondContact OE2-CD 3.45Å; E324-K327 IonicContact OE2-NZ 3.65Å
325E90.9Very high94.1Very high133 Ų13355.6 Ų55.662%0.62128%0.28SS*.THydrogen-bonded Turntrans-55.6-53-176.7-173170.7-167.200112.6R322R322-E325 VanDerWaalsContact CZ-O 3.25Å; R322-E325 PolarHBondContact NE-O 3Å; R322-E325 PolarHBondContact NH2-O 3.42Å
326N89.9Confident93.9Very high61 Ų6152.3 Ų52.333%0.32626%0.263SS..THydrogen-bonded Turntrans-11229.7-178.1-64.9-44.8000112.9F251 I252 V253 E324F251-N326 CarbonylContact O-C 3.54Å; F251-N326 WeakPolarHBondContact O-CA 3.11Å; F251-N326 VanDerWaalsContact O-O 3.13Å; I252-N326 WeakPolarHBondContact CA-OD1 3.35Å; V253-N326 PolarHBondContact N-OD1 2.72Å; E324-N326 PolarHBondContact O-N 3.18Å
327K91Very high93.7Very high96 Ų9655.5 Ų55.542%0.41729%0.293SS..EExtended strand (participates in β ladder)trans-138127.2-173-160.6-176.7178.9177.90111.7I323 E324I323-K327 HydrophobicContact CD1-CD 3.65Å; I323-K327 HydrophobicContact CD1-CG 3.85Å; I323-K327 HydrophobicContact CG1-CB 4.03Å; I323-K327 HydrophobicContact CG1-CD 3.95Å; I323-K327 HydrophobicContact CG1-CG 3.86Å; I323-K327 WeakPolarHBondContact CG1-O 3.45Å; I323-K327 PolarHBondContact N-O 3.04Å; E324-K327 HydrophobicContact CB-CB 3.85Å; E324-K327 HydrophobicContact CB-CD 4.38Å; E324-K327 HydrophobicContact CG-CB 4.47Å; E324-K327 HydrophobicContact CG-CD 4.15Å; E324-K327 PolarHBondContact N-O 2.99Å; E324-K327 VanDerWaalsContact OE1-CD 3.22Å; E324-K327 WeakPolarHBondContact OE1-CD 3.45Å; E324-K327 WeakPolarHBondContact OE1-CE 3.25Å; E324-K327 IonicContact OE1-NZ 2.66Å; E324-K327 PolarHBondContact OE1-NZ 2.99Å; E324-K327 VanDerWaalsContact OE2-CD 3.31Å; E324-K327 WeakPolarHBondContact OE2-CD 3.45Å; E324-K327 IonicContact OE2-NZ 3.65Å
328I93.8Very high93.3Very high22 Ų2257 Ų5711%0.11330%0.299CS..EExtended strand (participates in β ladder)trans-123.7154.7178.661.8171.4000110.4F251 L300 I320 K321 R322F251-I328 HydrophobicContact CD1-CD1 4.22Å; F251-I328 HydrophobicContact CD1-CG2 4.47Å; F251-I328 HydrophobicContact CD2-CD1 3.99Å; F251-I328 HydrophobicContact CE1-CD1 4.23Å; F251-I328 HydrophobicContact CE2-CD1 3.98Å; F251-I328 HydrophobicContact CG-CD1 4.11Å; F251-I328 HydrophobicContact CG-CG1 4.42Å; F251-I328 HydrophobicContact CZ-CD1 4.09Å; L300-I328 HydrophobicContact CD1-CD1 4.45Å; I320-I328 HydrophobicContact CG2-CB 3.98Å; I320-I328 HydrophobicContact CG2-CD1 4Å; I320-I328 HydrophobicContact CG2-CG2 4.18Å; K321-I328 CarbonylContact O-C 3.5Å; K321-I328 VanDerWaalsContact O-CA 3.27Å; K321-I328 WeakPolarHBondContact O-CA 3.48Å; R322-I328 HydrophobicContact CB-CG2 4.43Å
329T93.9Very high92.9Very high55 Ų5559.7 Ų59.734%0.33732%0.322SS..EExtended strand (participates in β ladder)trans-112.4148.1158.6540000108.9I320 K321 I323I320-T329 CarbonylContact C-O 3.37Å; I320-T329 VanDerWaalsContact CA-O 3.28Å; I320-T329 WeakPolarHBondContact CA-O 3.49Å; K321-T329 PolarHBondContact N-O 2.93Å; K321-T329 PolarHBondContact O-N 2.72Å; I323-T329 HydrophobicContact CD1-CG2 3.97Å; I323-T329 HydrophobicContact CG2-CG2 4.38Å
330A94.4Very high92.5Very high2 Ų260.7 Ų60.72%0.01733%0.333CS..EExtended strand (participates in β ladder)trans-141.5128.5-174.500000110.9P244 I245 M318 K319 I320P244-A330 WeakPolarHBondContact CA-O 3.41Å; I245-A330 PolarHBondContact N-O 3.31Å; I245-A330 VanDerWaalsContact N-O 3.13Å; M318-A330 HydrophobicContact CE-CB 3.98Å; K319-A330 WeakPolarHBondContact O-CA 3.34Å; I320-A330 HydrophobicContact CG1-CB 4.09Å
331S94.6Very high92.1Very high42 Ų4261.5 Ų61.529%0.29434%0.338SS..EExtended strand (participates in β ladder)trans-126.6143.6174.759.90000111.5M318 K319M318-S331 WeakPolarHBondContact CA-O 3.27Å; K319-S331 PolarHBondContact N-O 2.97Å; K319-S331 PolarHBondContact O-N 3.36Å
332E95.4Very high91.6Very high82 Ų8261.1 Ų61.138%0.38334%0.34SS..EExtended strand (participates in β ladder)trans-77.3135.8169.5-177174.9151.400109.4K316 S335K316-E332 HydrophobicContact CB-CG 4.35Å; K316-E332 VanDerWaalsContact CD-CD 3.48Å; K316-E332 HydrophobicContact CD-CG 4.35Å; K316-E332 WeakPolarHBondContact CD-OE1 3.31Å; K316-E332 VanDerWaalsContact CD-OE2 3.32Å; K316-E332 WeakPolarHBondContact CD-OE2 3.48Å; K316-E332 WeakPolarHBondContact CE-OE2 3.39Å; K316-E332 VanDerWaalsContact NZ-CD 3.26Å; K316-E332 IonicContact NZ-OE1 3.26Å; K316-E332 PolarHBondContact NZ-OE1 2.78Å; K316-E332 IonicContact NZ-OE2 3.73Å; K316-E332 PolarHBondContact NZ-OE2 3.11Å; E332-S335 PolarHBondContact OE1-OG 3.33Å
333L95.1Very high91Very high44 Ų4464.2 Ų64.223%0.2336%0.363CS..EExtended strand (participates in β ladder)trans-101.7-40.7176.3-55.6-179.9000111.6V70 N74 V310 F317 K319V70-L333 HydrophobicContact CG1-CB 4.1Å; V70-L333 HydrophobicContact CG1-CD1 4.09Å; N74-L333 HydrophobicContact CB-CD1 3.82Å; N74-L333 HydrophobicContact CB-CD2 4.38Å; N74-L333 WeakPolarHBondContact OD1-CD2 3.41Å; V310-L333 HydrophobicContact CG1-CD1 4.3Å; F317-L333 HydrophobicContact CD1-CB 4.2Å; F317-L333 HydrophobicContact CD1-CD1 3.87Å; F317-L333 HydrophobicContact CE1-CD1 4.15Å; F317-L333 WeakPolarHBondContact O-CB 3.49Å; F317-L333 PolarHBondContact O-N 3.08Å; K319-L333 HydrophobicContact CB-CD1 4.15Å; K319-L333 HydrophobicContact CB-CD2 3.91Å; K319-L333 HydrophobicContact CB-CG 4.18Å
334M92.8Very high90.3Very high65 Ų6563.9 Ų63.932%0.3237%0.366SS..EExtended strand (participates in β ladder)trans-173.2163.7177.645174.246.200110.4I67 V70 F317 V336I67-M334 HydrophobicContact CD1-SD 3.74Å; V70-M334 HydrophobicContact CG1-SD 4.4Å; V70-M334 HydrophobicContact CG2-CE 3.77Å; V70-M334 HydrophobicContact CG2-SD 4.3Å; F317-M334 HydrophobicContact CB-CG 3.92Å; F317-M334 WeakPolarHBondContact CB-O 3.47Å; F317-M334 HydrophobicContact CD1-CG 4.17Å; F317-M334 PolarHBondContact N-O 3.21Å; M334-V336 HydrophobicContact CG-CG1 4.02Å; M334-V336 HydrophobicContact SD-CG1 4.1Å
335S91.1Very high89Confident77 Ų7767.6 Ų67.654%0.53838%0.376SS..EExtended strand (participates in β ladder)trans-84138.8168.8-56.90000110.5D315 K316 E332D315-S335 CarbonylContact O-C 3.58Å; D315-S335 WeakPolarHBondContact O-CA 3.44Å; K316-S335 PolarHBondContact NZ-OG 2.74Å; E332-S335 PolarHBondContact OE1-OG 3.33Å
336V88.2Confident87.4Confident23 Ų2369.3 Ų69.314%0.13939%0.387CS..  trans-147.5157.8-172.7-66.10000111.8I67 P312 D315 F317 M334 F338I67-V336 HydrophobicContact CD1-CG1 3.8Å; P312-V336 HydrophobicContact CB-CG2 4.02Å; D315-V336 CarbonylContact C-O 3.49Å; D315-V336 PolarHBondContact O-N 3.46Å; D315-V336 VanDerWaalsContact O-O 3.06Å; F317-V336 HydrophobicContact CB-CB 4.45Å; F317-V336 HydrophobicContact CB-CG1 3.8Å; F317-V336 HydrophobicContact CB-CG2 3.75Å; F317-V336 HydrophobicContact CD2-CG2 4.49Å; F317-V336 HydrophobicContact CG-CG1 4.39Å; F317-V336 HydrophobicContact CG-CG2 4.5Å; M334-V336 HydrophobicContact CG-CG1 4.02Å; M334-V336 HydrophobicContact SD-CG1 4.1Å; V336-F338 HydrophobicContact CB-CD2 3.86Å; V336-F338 HydrophobicContact CB-CE2 3.77Å; V336-F338 HydrophobicContact CG1-CE2 4.18Å; V336-F338 HydrophobicContact CG2-CD2 3.65Å; V336-F338 HydrophobicContact CG2-CE2 3.7Å
337S87.7Confident85.7Confident122 Ų12270 Ų7085%0.85341%0.409SS*.  trans-118124.8168-1740000109.8
338F88.2Confident83.9Confident31 Ų3168.1 Ų68.114%0.13641%0.407CS..  trans-133.3150.4179.1-84.6-107.7000109.4I67 G287 A289 P312 F317 V336 T340I67-F338 HydrophobicContact CG2-CZ 3.83Å; G287-F338 WeakPolarHBondContact O-CD1 3.4Å; A289-F338 HydrophobicContact CB-CB 3.91Å; P312-F338 HydrophobicContact CB-CB 4.24Å; P312-F338 HydrophobicContact CB-CD2 3.65Å; P312-F338 HydrophobicContact CB-CE2 3.99Å; P312-F338 HydrophobicContact CB-CG 3.93Å; P312-F338 HydrophobicContact CG-CB 4.19Å; P312-F338 HydrophobicContact CG-CD1 3.89Å; P312-F338 HydrophobicContact CG-CD2 3.92Å; P312-F338 HydrophobicContact CG-CE1 4.1Å; P312-F338 HydrophobicContact CG-CE2 4.15Å; P312-F338 HydrophobicContact CG-CG 3.77Å; P312-F338 HydrophobicContact CG-CZ 4.21Å; F317-F338 HydrophobicContact CD2-CE2 4.42Å; F317-F338 HydrophobicContact CE2-CZ 4.35Å; V336-F338 HydrophobicContact CB-CD2 3.86Å; V336-F338 HydrophobicContact CB-CE2 3.77Å; V336-F338 HydrophobicContact CG1-CE2 4.18Å; V336-F338 HydrophobicContact CG2-CD2 3.65Å; V336-F338 HydrophobicContact CG2-CE2 3.7Å; F338-T340 PolarHBondContact O-N 2.93Å
339A87.6Confident81.8Confident63 Ų6376.2 Ų76.252%0.52145%0.445SS..PPolyproline II helixtrans-62.2134.8167.900000110.2A288 A289A288-A339 CarbonylContact C-O 3.6Å; A288-A339 WeakPolarHBondContact CA-O 3.25Å; A288-A339 WeakPolarHBondContact CB-O 3.24Å; A289-A339 PolarHBondContact N-O 3.31Å
340T90Very high80.1Confident79 Ų7981 Ų8149%0.48546%0.461SS..BIsolated β-bridgetrans-62.5138.8179.5-51.80000111.8A289 T291 F338 L342A289-T340 WeakPolarHBondContact O-CA 3.18Å; T291-T340 HydrophobicContact CG2-CG2 3.92Å; F338-T340 PolarHBondContact O-N 2.93Å; T340-L342 PolarHBondContact O-N 3.4Å
341L87.9Confident79.3Confident18 Ų1886.5 Ų86.59%0.09449%0.486CS..PPolyproline II helixtrans-55.9125171.8-175.268.5000110V86 I149 L150 A288 A289 V290 I299V86-L341 HydrophobicContact CG1-CD1 4.21Å; I149-L341 HydrophobicContact CG2-CD1 3.89Å; I149-L341 HydrophobicContact CG2-CD2 3.77Å; I149-L341 HydrophobicContact CG2-CG 4.24Å; L150-L341 HydrophobicContact CD1-CD2 4.02Å; L150-L341 HydrophobicContact CD1-CG 4.29Å; L150-L341 HydrophobicContact CD2-CD2 3.91Å; L150-L341 HydrophobicContact CG-CD2 3.92Å; L150-L341 HydrophobicContact CG-CG 4.45Å; A288-L341 HydrophobicContact CB-CB 4.14Å; A288-L341 HydrophobicContact CB-CD1 4.12Å; A289-L341 PolarHBondContact O-N 2.9Å; V290-L341 HydrophobicContact CG2-CD2 4.21Å; I299-L341 HydrophobicContact CD1-CD2 4.07Å
342L87.5Confident78.9Confident85 Ų8585 Ų8545%0.44548%0.475SS..PPolyproline II helixtrans-62.9132.2-174.4-63-174.9000110.9V112 N148 T340V112-L342 HydrophobicContact CG1-CD1 3.93Å; V112-L342 HydrophobicContact CG2-CD1 4.34Å; N148-L342 PolarHBondContact ND2-O 3.42Å; T340-L342 PolarHBondContact O-N 3.4Å
343P83Confident78.5Confident87 Ų8784.8 Ų84.857%0.56547%0.474SS*.PPolyproline II helixtrans-63157.1178.428.2-35.4000111.5N148 R345N148-P343 PolarHBondContact ND2-O 3.35Å; N148-P343 VanDerWaalsContact ND2-O 3.11Å; P343-R345 PolarHBondContact O-N 2.91Å
344S79.6Confident78.1Confident53 Ų5385.3 Ų85.337%0.37148%0.481SS..PPolyproline II helixtrans-52.3133.1168.4174.70000110.3D151 I346D151-S344 WeakPolarHBondContact OD1-CA 3.24Å; D151-S344 WeakPolarHBondContact OD1-CB 3.1Å; D151-S344 PolarHBondContact OD1-OG 3.46Å; S344-I346 PolarHBondContact O-N 3.36Å
345R67.2Low77.8Confident180 Ų18083 Ų8368%0.67947%0.472SS*.  trans-90.694.2174.4-68.9-172.4-177.3-154.52.6108P343 G347 S348P343-R345 PolarHBondContact O-N 2.91Å; R345-G347 PolarHBondContact O-N 2.92Å; R345-S348 PolarHBondContact O-N 3.36Å; R345-S348 PolarHBondContact O-OG 3.33Å
346I55.9Low77.6Confident169 Ų16983.1 Ų83.187%0.86747%0.47SS*.THydrogen-bonded Turntrans-50.5110.8175.7-57.1173.4000108.8S344S344-I346 PolarHBondContact O-N 3.36Å
347G54.1Low77.2Confident76 Ų7690.5 Ų90.578%0.78450%0.5SS*.THydrogen-bonded Turntrans104.61.5-178.400000117R345 E349R345-G347 PolarHBondContact O-N 2.92Å; G347-E349 PolarHBondContact O-N 3.08Å
348S53Low76.4Confident55 Ų5592.6 Ų92.639%0.38550%0.497SS..  trans-77.9111.3167.750.60000111.5R345 K350R345-S348 PolarHBondContact O-N 3.36Å; R345-S348 PolarHBondContact O-OG 3.33Å; S348-K350 PolarHBondContact O-N 2.93Å
349E50.9Low75.6Confident192 Ų19297.8 Ų97.890%0.89753%0.526SS*.  trans-61.6-20.7177.8-64.7-179143.500114G347 Q351G347-E349 PolarHBondContact O-N 3.08Å; E349-Q351 PolarHBondContact O-N 2.91Å; E349-Q351 VanDerWaalsContact O-N 3.08Å
350K58.5Low75.3Confident155 Ų155101.7 Ų101.767%0.67454%0.543SS*.  trans-76.695.9-178.8-67.9-168.1176.2-170.70111.1S348S348-K350 PolarHBondContact O-N 2.93Å
351Q78.1Confident74.9Confident118 Ų118101 Ų10155%0.55154%0.536SS*.PPolyproline II helixtrans-61162.2162.2-61.4-175.138.800110.7E349 E353E349-Q351 PolarHBondContact O-N 2.91Å; E349-Q351 VanDerWaalsContact O-N 3.08Å; Q351-E353 PolarHBondContact O-N 3.01Å
352V84.8Confident74.6Confident10 Ų10103.1 Ų103.16%0.06155%0.552CS.*PPolyproline II helixtrans-61.6133.4173-176.70000109.5I110 L145 H146 N148 L152 W278 S354I110-V352 HydrophobicContact CD1-CG1 4.14Å; I110-V352 HydrophobicContact CG1-CG1 4.16Å; I110-V352 HydrophobicContact CG2-CG1 4.13Å; L145-V352 HydrophobicContact CB-CG1 4.4Å; H146-V352 WeakPolarHBondContact O-CA 3.37Å; N148-V352 WeakPolarHBondContact O-CG2 3.21Å; L152-V352 HydrophobicContact CB-CB 4.38Å; L152-V352 HydrophobicContact CB-CG2 3.74Å; W278-V352 HydrophobicContact CH2-CB 4.21Å; W278-V352 HydrophobicContact CH2-CG1 3.9Å; W278-V352 HydrophobicContact CZ2-CG1 4.34Å; V352-S354 PolarHBondContact O-N 3.16Å
353E87.9Confident74.4Confident79 Ų79104.5 Ų104.537%0.36956%0.56SS.*PPolyproline II helixtrans-50.3124.2174.7-71180154.900110.4R121 L145 H146 W278 Q351R121-E353 IonicContact NH2-OE2 2.76Å; R121-E353 PolarHBondContact NH2-OE2 3.01Å; R121-E353 VanDerWaalsContact NH2-OE2 3.11Å; L145-E353 WeakPolarHBondContact CA-OE2 3.47Å; L145-E353 HydrophobicContact CB-CB 4.17Å; L145-E353 HydrophobicContact CD2-CB 4.14Å; H146-E353 HydrophobicContact CB-CG 4.2Å; H146-E353 PolarHBondContact N-OE2 2.9Å; H146-E353 PolarHBondContact O-N 3.32Å; W278-E353 WeakPolarHBondContact CH2-O 3.45Å; Q351-E353 PolarHBondContact O-N 3.01Å
354S86.1Confident74.3Confident54 Ų54104 Ų10438%0.37855%0.549SS..PPolyproline II helixtrans-61.7138.2178.9-76.20000110.9V352V352-S354 PolarHBondContact O-N 3.16Å
355P87.4Confident74.5Confident18 Ų18105 Ų10512%0.11755%0.547CS..PPolyproline II helixtrans-61.3143.6177.826.3-34.4000110.2L145 W278 P279 K357L145-P355 HydrophobicContact CD1-CB 4.22Å; W278-P355 VanDerWaalsContact CH2-CD 3.45Å; W278-P355 HydrophobicContact CZ2-CG 4.36Å; P279-P355 HydrophobicContact CG-CG 3.94Å; P355-K357 PolarHBondContact O-N 2.96Å
356P86.5Confident75.4Confident78 Ų7899.3 Ų99.351%0.50653%0.53SS..PPolyproline II helixtrans-61.6139.3-179.426.2-34.5000110.2V143 Q358V143-P356 HydrophobicContact CG1-CG 3.95Å; V143-P356 HydrophobicContact CG2-CG 4.1Å; P356-Q358 PolarHBondContact O-N 3.48Å
357K78.6Confident76.7Confident178 Ų17891.7 Ų91.777%0.77449%0.492SS*.PPolyproline II helixtrans-57.3127.3173.3-67.8-175.7178.4-179.10109.1P355 N359P355-K357 PolarHBondContact O-N 2.96Å; K357-N359 PolarHBondContact O-N 3.33Å
358Q71.5Confident78.2Confident167 Ų16788 Ų8878%0.7846%0.455SS*.  trans-6996.7-179.6-169173.61600109.5P356P356-Q358 PolarHBondContact O-N 3.48Å
359N71.6Confident79.9Confident140 Ų14087.1 Ų87.175%0.74944%0.443SS*.PPolyproline II helixtrans-75.1142.9179.3-69.9-42.5000110.9K357 I361K357-N359 PolarHBondContact O-N 3.33Å; N359-I361 PolarHBondContact O-N 2.9Å
360V80.3Confident81.6Confident145 Ų14582 Ų8288%0.87942%0.421SS*.PPolyproline II helixtrans-59.9127.7168.8-178.40000108.5
361I81.8Confident83Confident63 Ų6376 Ų7632%0.32340%0.396SS..PPolyproline II helixtrans-67.1142.3-179.9-167.8165.1000111.2N359 K365 L366N359-I361 PolarHBondContact O-N 2.9Å; I361-K365 HydrophobicContact CD1-CB 4.08Å; I361-K365 HydrophobicContact CD1-CD 3.92Å; I361-K365 HydrophobicContact CD1-CG 3.79Å; I361-K365 HydrophobicContact CG1-CB 3.89Å; I361-K365 HydrophobicContact CG1-CD 4.1Å; I361-K365 HydrophobicContact CG1-CG 4.1Å; I361-L366 HydrophobicContact CG2-CB 4.42Å
362S82.9Confident83.7Confident63 Ų6371.7 Ų71.744%0.44138%0.375SS..PPolyproline II helixtrans-63.5143.8175.169.30000111E364 K365 L366S362-E364 PolarHBondContact O-N 3.33Å; S362-E364 VanDerWaalsContact O-N 3.16Å; S362-K365 PolarHBondContact O-N 3.42Å; S362-K365 VanDerWaalsContact O-N 3.07Å; S362-K365 WeakPolarHBondContact OG-CB 3.27Å; S362-K365 PolarHBondContact OG-N 3.45Å; S362-L366 PolarHBondContact O-N 2.89Å
363L82.3Confident84Confident115 Ų11574 Ų7460%0.60239%0.387SS*.Hα-helixtrans-55-33.3174.3178.661.5000111.7L366 A367L363-L366 PolarHBondContact O-N 3.24Å; L363-A367 VanDerWaalsContact O-CB 3.27Å; L363-A367 WeakPolarHBondContact O-CB 3.48Å; L363-A367 PolarHBondContact O-N 3.28Å
364E80.8Confident84Confident75 Ų7572.8 Ų72.835%0.3538%0.382SS..Hα-helixtrans-61.6-48.6175.4-175.2179.2-16100112.6S362 L366 A367 A368 M448 S609 L613S362-E364 PolarHBondContact O-N 3.33Å; S362-E364 VanDerWaalsContact O-N 3.16Å; E364-L366 VanDerWaalsContact C-N 3.35Å; E364-A367 PolarHBondContact O-N 3.38Å; E364-A368 WeakPolarHBondContact O-CB 3.34Å; E364-A368 PolarHBondContact O-N 2.88Å; E364-M448 HydrophobicContact CB-CB 4.25Å; E364-M448 HydrophobicContact CG-CB 4.02Å; E364-M448 HydrophobicContact CG-CE 3.87Å; E364-M448 HydrophobicContact CG-CG 4.41Å; E364-S609 PolarHBondContact OE1-OG 3.01Å; E364-L613 HydrophobicContact CG-CD1 3.57Å
365K84.4Confident84.2Confident74 Ų7470.8 Ų70.832%0.32237%0.367SS..Hα-helixtrans-71.6-30.9179.1-171.3171.9-179163.60111.9I361 S362 R369 L613I361-K365 HydrophobicContact CD1-CB 4.08Å; I361-K365 HydrophobicContact CD1-CD 3.92Å; I361-K365 HydrophobicContact CD1-CG 3.79Å; I361-K365 HydrophobicContact CG1-CB 3.89Å; I361-K365 HydrophobicContact CG1-CD 4.1Å; I361-K365 HydrophobicContact CG1-CG 4.1Å; S362-K365 PolarHBondContact O-N 3.42Å; S362-K365 VanDerWaalsContact O-N 3.07Å; S362-K365 WeakPolarHBondContact OG-CB 3.27Å; S362-K365 PolarHBondContact OG-N 3.45Å; K365-R369 WeakPolarHBondContact O-CD 3.47Å; K365-R369 VanDerWaalsContact O-CG 3.24Å; K365-R369 WeakPolarHBondContact O-CG 3.38Å; K365-R369 PolarHBondContact O-N 3.48Å; K365-R369 VanDerWaalsContact O-N 3.12Å; K365-L613 HydrophobicContact CB-CB 4.31Å; K365-L613 WeakPolarHBondContact CE-O 3.42Å; K365-L613 HydrophobicContact CG-CB 4.05Å
366L85.3Confident84.5Confident61 Ų6170.9 Ų70.932%0.31937%0.365SS..Hα-helixtrans-65.5-45.8170.1-176.261.6000111.5I361 S362 L363 E364 R369 I370I361-L366 HydrophobicContact CG2-CB 4.42Å; S362-L366 PolarHBondContact O-N 2.89Å; L363-L366 PolarHBondContact O-N 3.24Å; E364-L366 VanDerWaalsContact C-N 3.35Å; L366-R369 PolarHBondContact O-N 2.68Å; L366-I370 HydrophobicContact CD1-CD1 4.47Å; L366-I370 HydrophobicContact CG-CD1 4.16Å; L366-I370 WeakPolarHBondContact O-CG1 3.41Å; L366-I370 PolarHBondContact O-N 3.11Å
367A83.3Confident84.6Confident9 Ų969.1 Ų69.17%0.07436%0.361CS..Hα-helixtrans-63.2-44176.500000111.8L363 E364 R369 I370 I371 M448L363-A367 VanDerWaalsContact O-CB 3.27Å; L363-A367 WeakPolarHBondContact O-CB 3.48Å; L363-A367 PolarHBondContact O-N 3.28Å; E364-A367 PolarHBondContact O-N 3.38Å; A367-R369 VanDerWaalsContact C-N 3.33Å; A367-R369 PolarHBondContact O-N 3.31Å; A367-I370 PolarHBondContact O-N 3.14Å; A367-I371 WeakPolarHBondContact O-CD1 3.15Å; A367-I371 VanDerWaalsContact O-CG1 3.24Å; A367-I371 WeakPolarHBondContact O-CG1 3.38Å; A367-I371 PolarHBondContact O-N 2.95Å; A367-M448 HydrophobicContact CB-CE 4.34Å; A367-M448 HydrophobicContact CB-CG 3.81Å; A367-M448 HydrophobicContact CB-SD 3.9Å
368A86.9Confident85.2Confident0 Ų062.4 Ų62.40%034%0.335CS..Hα-helixtrans-55.9-45.3174.500000111.9E364 I371 R372 L613E364-A368 WeakPolarHBondContact O-CB 3.34Å; E364-A368 PolarHBondContact O-N 2.88Å; A368-I371 PolarHBondContact O-N 2.96Å; A368-R372 WeakPolarHBondContact O-CB 3.22Å; A368-R372 WeakPolarHBondContact O-CG 3.45Å; A368-R372 PolarHBondContact O-N 3.41Å; A368-L613 HydrophobicContact CB-CB 3.92Å
369R87.3Confident86.2Confident36 Ų3654.4 Ų54.414%0.13630%0.298CS..Hα-helixtrans-60.8-44.9174.5-72.7166.4174.3-163.8-8.4112.7Y103 K365 L366 A367 R372 N373Y103-R369 PolarHBondContact O-NH1 3.11Å; K365-R369 WeakPolarHBondContact O-CD 3.47Å; K365-R369 VanDerWaalsContact O-CG 3.24Å; K365-R369 WeakPolarHBondContact O-CG 3.38Å; K365-R369 PolarHBondContact O-N 3.48Å; K365-R369 VanDerWaalsContact O-N 3.12Å; L366-R369 PolarHBondContact O-N 2.68Å; A367-R369 VanDerWaalsContact C-N 3.33Å; A367-R369 PolarHBondContact O-N 3.31Å; R369-R372 PolarHBondContact O-N 2.95Å; R369-N373 WeakPolarHBondContact O-CB 3.17Å; R369-N373 PolarHBondContact O-N 3.02Å; R369-N373 PolarHBondContact O-OD1 3.32Å
370I87.9Confident87.2Confident85 Ų8550.9 Ų50.944%0.43628%0.277SS..Hα-helixtrans-61.9-46.8177.5-68.5165.3000110.3L366 A367 R372 N373 L374L366-I370 HydrophobicContact CD1-CD1 4.47Å; L366-I370 HydrophobicContact CG-CD1 4.16Å; L366-I370 WeakPolarHBondContact O-CG1 3.41Å; L366-I370 PolarHBondContact O-N 3.11Å; A367-I370 PolarHBondContact O-N 3.14Å; I370-R372 PolarHBondContact O-N 3.21Å; I370-N373 PolarHBondContact O-N 3.39Å; I370-L374 HydrophobicContact CG2-CD1 3.75Å; I370-L374 WeakPolarHBondContact O-CD1 3.43Å; I370-L374 VanDerWaalsContact O-CG 3.27Å; I370-L374 WeakPolarHBondContact O-CG 3.33Å; I370-L374 PolarHBondContact O-N 3.12Å
371I87.9Confident87.8Confident28 Ų2852.1 Ų52.114%0.14427%0.27CS..Hα-helixtrans-60-47.5177-64.3157.9000110.5A367 A368 N373 L374 L375 M448 F451 L596 V610A367-I371 WeakPolarHBondContact O-CD1 3.15Å; A367-I371 VanDerWaalsContact O-CG1 3.24Å; A367-I371 WeakPolarHBondContact O-CG1 3.38Å; A367-I371 PolarHBondContact O-N 2.95Å; A368-I371 PolarHBondContact O-N 2.96Å; I371-N373 PolarHBondContact O-N 3.42Å; I371-L374 PolarHBondContact O-N 2.87Å; I371-L375 HydrophobicContact CG2-CD1 3.89Å; I371-L375 HydrophobicContact CG2-CG 4.28Å; I371-L375 VanDerWaalsContact O-CG 3.31Å; I371-L375 WeakPolarHBondContact O-CG 3.29Å; I371-L375 PolarHBondContact O-N 2.89Å; I371-M448 HydrophobicContact CD1-SD 4.39Å; I371-F451 HydrophobicContact CD1-CD1 4.28Å; I371-F451 HydrophobicContact CD1-CE1 3.76Å; I371-L596 HydrophobicContact CG2-CD2 4.4Å; I371-V610 HydrophobicContact CB-CG1 4.19Å; I371-V610 HydrophobicContact CB-CG2 4.43Å; I371-V610 HydrophobicContact CD1-CG2 3.83Å; I371-V610 HydrophobicContact CG2-CG1 3.67Å; I371-V610 HydrophobicContact CG2-CG2 4.08Å
372R91.9Very high88.4Confident28 Ų2853 Ų5311%0.10627%0.27CS..Hα-helixtrans-60-43.8176.7-72.8-164.2-76.7133.9-6.8112.2P134 A368 R369 I370 L374 L375 R376 M592 V610 L613P134-R372 PolarHBondContact O-NH1 3.24Å; A368-R372 WeakPolarHBondContact O-CB 3.22Å; A368-R372 WeakPolarHBondContact O-CG 3.45Å; A368-R372 PolarHBondContact O-N 3.41Å; R369-R372 PolarHBondContact O-N 2.95Å; I370-R372 PolarHBondContact O-N 3.21Å; R372-L374 VanDerWaalsContact C-N 3.32Å; R372-L374 PolarHBondContact O-N 2.97Å; R372-L375 PolarHBondContact O-N 3.27Å; R372-R376 WeakPolarHBondContact O-CG 3.19Å; R372-R376 PolarHBondContact O-N 2.84Å; R372-M592 HydrophobicContact CB-CE 4.06Å; R372-M592 HydrophobicContact CB-SD 4.13Å; R372-M592 HydrophobicContact CG-CE 4.38Å; R372-M592 HydrophobicContact CG-SD 3.79Å; R372-M592 WeakPolarHBondContact O-CE 3.26Å; R372-V610 WeakPolarHBondContact CD-O 3.37Å; R372-V610 HydrophobicContact CG-CG1 3.86Å; R372-V610 PolarHBondContact NE-O 2.83Å; R372-L613 PolarHBondContact NE-OXT 3.38Å; R372-L613 VanDerWaalsContact NH2-C 3.3Å; R372-L613 PolarHBondContact NH2-O 2.87Å; R372-L613 PolarHBondContact NH2-OXT 3.18Å
373N90.5Very high89Confident59 Ų5953.6 Ų53.632%0.31627%0.265SS..Hα-helixtrans-59.1-42.5176.2-70.6-5.3000112.1R369 I370 I371 R376 G377R369-N373 WeakPolarHBondContact O-CB 3.17Å; R369-N373 PolarHBondContact O-N 3.02Å; R369-N373 PolarHBondContact O-OD1 3.32Å; I370-N373 PolarHBondContact O-N 3.39Å; I371-N373 PolarHBondContact O-N 3.42Å; N373-R376 PolarHBondContact OD1-NH1 3.25Å; N373-G377 PolarHBondContact O-N 2.92Å
374L88.6Confident89.6Confident52 Ų5255.5 Ų55.527%0.27228%0.276SS..Hα-helixtrans-71-38.6179.2-65.3160.7000112.2I370 I371 R372 G377 V378 F520 V524I370-L374 HydrophobicContact CG2-CD1 3.75Å; I370-L374 WeakPolarHBondContact O-CD1 3.43Å; I370-L374 VanDerWaalsContact O-CG 3.27Å; I370-L374 WeakPolarHBondContact O-CG 3.33Å; I370-L374 PolarHBondContact O-N 3.12Å; I371-L374 PolarHBondContact O-N 2.87Å; R372-L374 VanDerWaalsContact C-N 3.32Å; R372-L374 PolarHBondContact O-N 2.97Å; L374-G377 PolarHBondContact O-N 2.57Å; L374-V378 PolarHBondContact O-N 3.01Å; L374-F520 HydrophobicContact CB-CE2 4.08Å; L374-F520 HydrophobicContact CB-CZ 3.61Å; L374-F520 HydrophobicContact CD1-CE1 3.87Å; L374-F520 HydrophobicContact CD1-CZ 3.66Å; L374-F520 HydrophobicContact CD2-CE1 4.37Å; L374-F520 HydrophobicContact CD2-CE2 3.94Å; L374-F520 HydrophobicContact CD2-CZ 3.76Å; L374-F520 HydrophobicContact CG-CE2 4.43Å; L374-F520 HydrophobicContact CG-CZ 3.86Å; L374-V524 HydrophobicContact CD2-CG2 4.07Å
375L91.1Very high90.2Very high13 Ų1352.9 Ų52.97%0.06827%0.27CS..Hα-helixtrans-63.3-39.4174.7-70.7172.6000111.9I371 R372 G377 V378 I379 M592 I595 L596I371-L375 HydrophobicContact CG2-CD1 3.89Å; I371-L375 HydrophobicContact CG2-CG 4.28Å; I371-L375 VanDerWaalsContact O-CG 3.31Å; I371-L375 WeakPolarHBondContact O-CG 3.29Å; I371-L375 PolarHBondContact O-N 2.89Å; R372-L375 PolarHBondContact O-N 3.27Å; L375-G377 VanDerWaalsContact C-N 3.33Å; L375-G377 PolarHBondContact O-N 2.78Å; L375-V378 PolarHBondContact O-N 3.42Å; L375-V378 VanDerWaalsContact O-N 3.13Å; L375-I379 HydrophobicContact CB-CD1 4.46Å; L375-I379 WeakPolarHBondContact O-CD1 3.48Å; L375-I379 WeakPolarHBondContact O-CG1 3.3Å; L375-I379 PolarHBondContact O-N 2.58Å; L375-M592 HydrophobicContact CB-CE 4.29Å; L375-M592 HydrophobicContact CB-CG 3.92Å; L375-M592 HydrophobicContact CD1-CB 4.09Å; L375-M592 HydrophobicContact CD1-CG 3.89Å; L375-M592 HydrophobicContact CD1-SD 4.44Å; L375-I595 HydrophobicContact CD2-CB 4.09Å; L375-I595 HydrophobicContact CD2-CD1 4.19Å; L375-I595 HydrophobicContact CD2-CG2 3.54Å; L375-L596 HydrophobicContact CD1-CD1 4.04Å; L375-L596 HydrophobicContact CD1-CD2 4.02Å; L375-L596 HydrophobicContact CD1-CG 3.94Å
376R93.9Very high90.7Very high20 Ų2052.9 Ų52.98%0.07528%0.277CS..Hα-helixtrans-53.7-49.2173.7-71.2166.9-170154.95.7111.9P134 F135 E136 R137 R372 N373 V378 I379 E380 Y588 M592P134-R376 PolarHBondContact O-NH2 3.07Å; F135-R376 PolarHBondContact O-NE 3.46Å; F135-R376 PolarHBondContact O-NH2 3.16Å; E136-R376 WeakPolarHBondContact O-CD 3.46Å; E136-R376 PolarHBondContact O-NE 2.98Å; R137-R376 PolarHBondContact O-NH2 2.79Å; R372-R376 WeakPolarHBondContact O-CG 3.19Å; R372-R376 PolarHBondContact O-N 2.84Å; N373-R376 PolarHBondContact OD1-NH1 3.25Å; R376-V378 VanDerWaalsContact C-N 3.26Å; R376-V378 PolarHBondContact O-N 2.98Å; R376-I379 PolarHBondContact O-N 3.32Å; R376-E380 WeakPolarHBondContact O-CB 3.31Å; R376-E380 WeakPolarHBondContact O-CG 3.24Å; R376-E380 PolarHBondContact O-N 3.35Å; R376-Y588 HydrophobicContact CB-CD1 4.38Å; R376-Y588 HydrophobicContact CB-CE1 4.01Å; R376-Y588 HydrophobicContact CG-CD1 3.83Å; R376-Y588 HydrophobicContact CG-CE1 3.81Å; R376-M592 HydrophobicContact CG-CE 3.62Å
377G88.7Confident91.3Very high41 Ų4150.1 Ų50.142%0.42326%0.263SS..Hα-helixtrans-60.1-35.6179.100000113N373 L374 L375 F381N373-G377 PolarHBondContact O-N 2.92Å; L374-G377 PolarHBondContact O-N 2.57Å; L375-G377 VanDerWaalsContact C-N 3.33Å; L375-G377 PolarHBondContact O-N 2.78Å; G377-F381 WeakPolarHBondContact O-CB 3.49Å; G377-F381 PolarHBondContact O-N 3.21Å; G377-F381 VanDerWaalsContact O-N 3.12Å
378V89.3Confident91.9Very high36 Ų3655.2 Ų55.222%0.21829%0.287CS..Hα-helixtrans-69.8-39.3173.4176.40000111.8L374 L375 R376 R382 I595L374-V378 PolarHBondContact O-N 3.01Å; L375-V378 PolarHBondContact O-N 3.42Å; L375-V378 VanDerWaalsContact O-N 3.13Å; R376-V378 VanDerWaalsContact C-N 3.26Å; R376-V378 PolarHBondContact O-N 2.98Å; V378-R382 WeakPolarHBondContact O-CD 3.14Å; V378-R382 VanDerWaalsContact O-CG 3.25Å; V378-R382 WeakPolarHBondContact O-CG 3.09Å; V378-R382 PolarHBondContact O-N 3.2Å; V378-I595 HydrophobicContact CG1-CD1 4.26Å
379I93.4Very high92.3Very high0 Ų056.4 Ų56.40%029%0.294CS..Hα-helixtrans-69.2-52-179.8-66.6163.8000110.2L375 R376 F381 R382 H383 Y586 Y588 E591 M592 I595L375-I379 HydrophobicContact CB-CD1 4.46Å; L375-I379 WeakPolarHBondContact O-CD1 3.48Å; L375-I379 WeakPolarHBondContact O-CG1 3.3Å; L375-I379 PolarHBondContact O-N 2.58Å; R376-I379 PolarHBondContact O-N 3.32Å; I379-F381 VanDerWaalsContact C-N 3.28Å; I379-F381 PolarHBondContact O-N 3.34Å; I379-R382 WeakPolarHBondContact O-CB 3.41Å; I379-R382 PolarHBondContact O-N 3.01Å; I379-H383 PolarHBondContact O-CD2 3.41Å; I379-H383 VanDerWaalsContact O-CD2 3.28Å; I379-H383 PolarHBondContact O-N 3.38Å; I379-Y586 HydrophobicContact CG2-CD2 4.04Å; I379-Y586 HydrophobicContact CG2-CE2 3.41Å; I379-Y586 VanDerWaalsContact CG2-CE2 3.41Å; I379-Y588 HydrophobicContact CB-CD1 4.42Å; I379-Y588 HydrophobicContact CD1-CD1 4.14Å; I379-Y588 HydrophobicContact CG2-CD1 4.12Å; I379-Y588 HydrophobicContact CG2-CE1 4.23Å; I379-E591 HydrophobicContact CD1-CB 3.64Å; I379-E591 HydrophobicContact CG1-CB 3.86Å; I379-E591 HydrophobicContact CG2-CB 4.06Å; I379-E591 HydrophobicContact CG2-CG 4.2Å; I379-M592 HydrophobicContact CD1-CG 3.69Å; I379-I595 HydrophobicContact CD1-CD1 4.14Å; I379-I595 HydrophobicContact CG1-CD1 3.64Å
380E93.3Very high92.7Very high65 Ų6555.3 Ų55.330%0.30429%0.293SS..Hα-helixtrans-60.6-36.6177.9-73.6161.2-154.600112R376 R382 N384 G385 Y588R376-E380 WeakPolarHBondContact O-CB 3.31Å; R376-E380 WeakPolarHBondContact O-CG 3.24Å; R376-E380 PolarHBondContact O-N 3.35Å; E380-R382 VanDerWaalsContact C-N 3.32Å; E380-R382 PolarHBondContact O-N 2.83Å; E380-N384 CarbonylContact O-C 3.54Å; E380-N384 WeakPolarHBondContact O-CA 3.36Å; E380-N384 PolarHBondContact O-N 2.97Å; E380-G385 PolarHBondContact O-N 3Å; E380-Y588 HydrophobicContact CG-CE1 4.05Å; E380-Y588 VanDerWaalsContact CG-OH 3.29Å; E380-Y588 WeakPolarHBondContact CG-OH 3.48Å; E380-Y588 WeakPolarHBondContact OE1-CE1 3.25Å; E380-Y588 PolarHBondContact OE1-OH 2.72Å
381F91.7Very high93Very high171 Ų17153.9 Ų53.975%0.7529%0.285SS*.Hα-helixtrans-64.3-34.7172.7179.2-95.2000112.9G377 I379G377-F381 WeakPolarHBondContact O-CB 3.49Å; G377-F381 PolarHBondContact O-N 3.21Å; G377-F381 VanDerWaalsContact O-N 3.12Å; I379-F381 VanDerWaalsContact C-N 3.28Å; I379-F381 PolarHBondContact O-N 3.34Å
382R94.1Very high93.3Very high81 Ų8155.4 Ų55.431%0.30629%0.292SS..Hα-helixtrans-78.3-33178.9-73.2169-180-170.2-0.4113.5V378 I379 E380 E599V378-R382 WeakPolarHBondContact O-CD 3.14Å; V378-R382 VanDerWaalsContact O-CG 3.25Å; V378-R382 WeakPolarHBondContact O-CG 3.09Å; V378-R382 PolarHBondContact O-N 3.2Å; I379-R382 WeakPolarHBondContact O-CB 3.41Å; I379-R382 PolarHBondContact O-N 3.01Å; E380-R382 VanDerWaalsContact C-N 3.32Å; E380-R382 PolarHBondContact O-N 2.83Å; R382-E599 IonicContact CZ-OE1 2.71Å; R382-E599 IonicContact CZ-OE2 2.57Å; R382-E599 IonicContact NH1-OE1 2.8Å; R382-E599 PolarHBondContact NH1-OE1 2.62Å; R382-E599 IonicContact NH1-OE2 3.56Å; R382-E599 PolarHBondContact NH1-OE2 3Å; R382-E599 IonicContact NH2-OE1 3.47Å; R382-E599 PolarHBondContact NH2-OE1 3.15Å; R382-E599 IonicContact NH2-OE2 2.78Å; R382-E599 PolarHBondContact NH2-OE2 3.38Å
383H95.6Very high93.3Very high76 Ų7659 Ų5935%0.35231%0.31SS..Hα-helixtrans-100.89.2-177.9-66-81.1000113.4I379 G385 Y586 E591I379-H383 PolarHBondContact O-CD2 3.41Å; I379-H383 VanDerWaalsContact O-CD2 3.28Å; I379-H383 PolarHBondContact O-N 3.38Å; H383-G385 VanDerWaalsContact C-N 3.32Å; H383-G385 PolarHBondContact O-N 3.37Å; H383-Y586 HydrophobicContact CB-CD1 3.84Å; H383-Y586 HydrophobicContact CB-CE1 3.33Å; H383-Y586 AromaticContact CD2-CD1 3.92Å; H383-Y586 AromaticContact CD2-CE1 3.92Å; H383-Y586 AromaticContact CG-CD1 3.52Å; H383-Y586 AromaticContact CG-CE1 3.49Å; H383-Y586 VanDerWaalsContact CG-CE1 3.49Å; H383-Y586 AromaticContact ND1-CD1 3.59Å; H383-E591 IonicContact CD2-OE2 3.37Å; H383-E591 IonicContact CE1-OE2 3.46Å; H383-E591 IonicContact NE2-OE2 3.52Å; H383-E591 PolarHBondContact NE2-OE2 2.64Å
384N95.2Very high93.2Very high156 Ų15659.8 Ų59.883%0.83431%0.312SS*.THydrogen-bonded Turntrans56.437.4-179.2-63.8-12.7000114.7E380E380-N384 CarbonylContact O-C 3.54Å; E380-N384 WeakPolarHBondContact O-CA 3.36Å; E380-N384 PolarHBondContact O-N 2.97Å
385G94Very high93.1Very high20 Ų2060.3 Ų60.321%0.20632%0.317CS..SBendtrans131.4-170.7-179.900000113E380 H383 Y586E380-G385 PolarHBondContact O-N 3Å; H383-G385 VanDerWaalsContact C-N 3.32Å; H383-G385 PolarHBondContact O-N 3.37Å; G385-Y586 PolarHBondContact O-OH 2.76Å
386P95.3Very high92.4Very high73 Ų7368.4 Ų68.447%0.47435%0.354SS..SBendtrans-74.1162.1176.733.3-36.8000111.7Y586P386-Y586 WeakPolarHBondContact CA-OH 3.2Å
387P96.5Very high90.8Very high3 Ų373.6 Ų73.62%0.01938%0.38CS..PPolyproline II helixtrans-68149.4-174.727.6-33.1000111.8R31 L389 S585 Y586 Y588R31-P387 PolarHBondContact NH1-O 3.36Å; R31-P387 PolarHBondContact NH2-O 3.28Å; P387-L389 PolarHBondContact O-N 3.15Å; P387-S585 WeakPolarHBondContact CA-OG 3.48Å; P387-Y586 HydrophobicContact CB-CD1 3.88Å; P387-Y586 HydrophobicContact CB-CD2 4.32Å; P387-Y586 HydrophobicContact CB-CE1 3.67Å; P387-Y586 HydrophobicContact CB-CE2 4.13Å; P387-Y586 HydrophobicContact CB-CG 4.19Å; P387-Y586 WeakPolarHBondContact CB-O 3.2Å; P387-Y586 VanDerWaalsContact CD-OH 3.3Å; P387-Y586 WeakPolarHBondContact CD-OH 3.38Å; P387-Y586 HydrophobicContact CG-CE1 4.42Å; P387-Y586 HydrophobicContact CG-CE2 4.19Å; P387-Y588 HydrophobicContact CG-CD2 4.37Å; P387-Y588 HydrophobicContact CG-CE2 3.9Å
388I96.2Very high89.1Confident116 Ų11675 Ų7560%0.59539%0.394SS*.PPolyproline II helixtrans-66.5122.8157.7-59.3175.8000105.9P584 S585I388-P584 CarbonylContact O-C 3.54Å; I388-P584 WeakPolarHBondContact O-CA 3.47Å; I388-S585 PolarHBondContact N-OG 3.04Å; I388-S585 PolarHBondContact O-N 3.21Å
389L96.5Very high86.9Confident26 Ų2682.9 Ų82.914%0.13643%0.429CS..PPolyproline II helixtrans-77.3151.8-178.9-64.3174.7000110.6R34 L35 P387 H391R34-L389 HydrophobicContact CB-CD1 3.87Å; L35-L389 HydrophobicContact CD2-CD1 4.18Å; L35-L389 HydrophobicContact CD2-CD2 3.83Å; L35-L389 HydrophobicContact CG-CD1 4.48Å; P387-L389 PolarHBondContact O-N 3.15Å; L389-H391 PolarHBondContact O-ND1 3.22Å
390G94.8Very high84.1Confident12 Ų1286.1 Ų86.112%0.12446%0.462CS..PPolyproline II helixtrans-63.4144.9179.300000112.3V582G390-V582 CarbonylContact C-O 3.59Å; G390-V582 WeakPolarHBondContact CA-O 3.26Å
391H95.4Very high81.4Confident55 Ų5592.7 Ų92.726%0.25549%0.492SS..EExtended strand (participates in β ladder)trans-157.1166.6-171.757.7-85.5000112.8D10 Q12 L389 V582D10-H391 VanDerWaalsContact OD2-CA 3.22Å; D10-H391 WeakPolarHBondContact OD2-CA 3.33Å; Q12-H391 HydrophobicContact CB-CB 4.31Å; Q12-H391 HydrophobicContact CG-CB 4.2Å; L389-H391 PolarHBondContact O-ND1 3.22Å; H391-V582 PolarHBondContact N-O 2.87Å; H391-V582 PolarHBondContact O-N 2.98Å
392M93.1Very high78.7Confident61 Ų6193.2 Ų93.230%0.350%0.497SS..EExtended strand (participates in β ladder)trans-96.9106.3176.3-71.6-69.7-17800111.2R9 D10 R580 W581R9-M392 HydrophobicContact CB-CB 4.13Å; R9-M392 PolarHBondContact NE-O 2.81Å; R9-M392 PolarHBondContact NH2-O 2.94Å; D10-M392 HydrophobicContact CB-CB 4.48Å; D10-M392 HydrophobicContact CB-CG 4.12Å; D10-M392 PolarHBondContact OD2-N 3.08Å; M392-R580 WeakPolarHBondContact CA-O 3.35Å; M392-W581 HydrophobicContact CE-CB 4.23Å; M392-W581 HydrophobicContact CE-CE3 4.01Å; M392-W581 HydrophobicContact CG-CE3 4.34Å; M392-W581 HydrophobicContact SD-CB 4.19Å; M392-W581 HydrophobicContact SD-CE3 4.27Å
393E91.1Very high75.8Confident103 Ų10396.5 Ų96.548%0.48152%0.521SS..EExtended strand (participates in β ladder)trans-88.7144.2176.1-171.2173-145.800111Y579 R580 V582E393-Y579 CarbonylContact O-C 3.59Å; E393-Y579 VanDerWaalsContact O-CA 3.26Å; E393-Y579 WeakPolarHBondContact O-CA 3.45Å; E393-R580 PolarHBondContact N-O 2.96Å; E393-R580 PolarHBondContact O-N 2.99Å; E393-V582 HydrophobicContact CB-CG2 3.87Å
394E88.3Confident72.9Confident75 Ų7599.2 Ų99.235%0.3554%0.543SS..EExtended strand (participates in β ladder)trans-84.5132.1175.7-164.9171.3150.400110.1R9 K577 Y579R9-E394 IonicContact NH1-OE2 2.73Å; E394-K577 WeakPolarHBondContact OE1-CD 3.1Å; E394-K577 WeakPolarHBondContact OE1-CE 3.34Å; E394-K577 WeakPolarHBondContact OE1-CG 3.41Å; E394-K577 IonicContact OE1-NZ 3.17Å; E394-K577 PolarHBondContact OE1-NZ 2.88Å; E394-K577 IonicContact OE2-NZ 3.65Å; E394-K577 PolarHBondContact OE2-NZ 3.13Å; E394-Y579 HydrophobicContact CB-CD1 3.97Å; E394-Y579 HydrophobicContact CB-CE1 3.67Å; E394-Y579 HydrophobicContact CG-CD1 4.13Å; E394-Y579 HydrophobicContact CG-CE1 3.6Å
395V87.9Confident70Confident63 Ų6399.2 Ų99.238%0.38254%0.54SS..EExtended strand (participates in β ladder)trans-108.5122.3-180-174.80000108.8K578 R580V395-K578 PolarHBondContact N-O 3.2Å; V395-R580 HydrophobicContact CG2-CB 3.73Å
396E76.1Confident67.2Low183 Ų183103.6 Ų103.686%0.85557%0.566SS**  trans-64.6138.6172.8-62.7-170.4158.700110.5G398E396-G398 PolarHBondContact O-N 3.28Å
397E61.2Low64.3Low130 Ų130105.8 Ų105.861%0.60757%0.574SS**  trans-72.190.8173.8-71.3-174.1147.800109.3Q575E397-Q575 PolarHBondContact OE2-NE2 3.15Å
398G53.1Low61.7Low71 Ų71112 Ų11273%0.73261%0.612SS**  trans-61.1135.8170.500000111.5E396 G400E396-G398 PolarHBondContact O-N 3.28Å; G398-G400 PolarHBondContact O-N 2.74Å
399E41.3Very low58.8Low201 Ų201112.9 Ų112.994%0.93962%0.618SS**SBendtrans-63115.4177.5-62.1-177.7155.300110.7
400G34.7Very low56.2Low67 Ų67120.9 Ų120.969%0.69165%0.654SS**  trans54.398.6159.600000118.1G398 E402G398-G400 PolarHBondContact O-N 2.74Å; G400-E402 PolarHBondContact O-N 3.48Å
401E36.4Very low53.6Low203 Ų203127.7 Ų127.795%0.94969%0.688SS**  trans-66.686.8144.4-76.3-174.716200108.2N403E401-N403 PolarHBondContact O-N 2.86Å
402E36.7Very low51Low182 Ų182130.4 Ų130.485%0.8571%0.713SS**  trans-67.8124.1176.7-160.8172.3-141.900109.3G400 T404G400-E402 PolarHBondContact O-N 3.48Å; E402-T404 PolarHBondContact O-N 3.41Å
403N32.1Very low48.5Very low151 Ų151135 Ų13581%0.80774%0.739SS**  trans-54.6104.7-172.3-70.5-59.8000112.4E401 M405E401-N403 PolarHBondContact O-N 2.86Å; N403-M405 PolarHBondContact O-N 2.79Å
404T35.4Very low45.9Very low133 Ų133135.1 Ų135.182%0.81675%0.747SS**  trans-8271.7160.3-52.40000108.9E402 C406E402-T404 PolarHBondContact O-N 3.41Å; T404-C406 PolarHBondContact O-N 3.18Å; T404-C406 VanDerWaalsContact O-N 3.17Å
405M33.1Very low43.5Very low155 Ų155138.2 Ų138.276%0.76477%0.765SS**  trans-75.995.4173.3-171167.1-179.800108.3N403 D407N403-M405 PolarHBondContact O-N 2.79Å; M405-D407 PolarHBondContact O-N 2.91Å; M405-D407 VanDerWaalsContact O-N 3.09Å
406C37Very low41.1Very low113 Ų113142.3 Ų142.376%0.76478%0.782SS**  trans-73.597.6171.6-90.40000110T404 T408T404-C406 PolarHBondContact O-N 3.18Å; T404-C406 VanDerWaalsContact O-N 3.17Å; C406-T408 PolarHBondContact O-N 2.81Å
407D33.2Very low39.1Very low118 Ų118139.7 Ų139.763%0.63177%0.774SS**  trans-60.7114.3164-82.2-38.2000110.6M405M405-D407 PolarHBondContact O-N 2.91Å; M405-D407 VanDerWaalsContact O-N 3.09Å
408T41.9Very low37.9Very low135 Ų135139.9 Ų139.983%0.82878%0.779SS**  trans-131.788.5150.154.40000108.5C406C406-T408 PolarHBondContact O-N 2.81Å
409N35.1Very low37.1Very low134 Ų134141.5 Ų141.572%0.71778%0.775SS**  trans-69.3127.7163.2-62.7-62.9000108.6
410E41.8Very low36.8Very low193 Ų193138.2 Ų138.290%0.90276%0.764SS**  trans-148.5125.1147.9-118.8170.9-146.200108.8
411D40.4Very low37Very low155 Ų155141.2 Ų141.283%0.82976%0.763SS**  trans-75.8141.8-168-53.3-78.5000112.6
412S42.2Very low37Very low112 Ų112139.3 Ų139.378%0.78375%0.754SS**  168.9101.8110.766.70000113.1
413D39.1Very low36.9Very low157 Ų157138.5 Ų138.584%0.8475%0.75SS**  45.2126.4115.6-1071.1000121.3
414T36.9Very low37Very low107 Ų107138.6 Ų138.666%0.65675%0.75SS**  trans121.795.9130.6-53.20000119.1
415L38Very low36.9Very low140 Ų140136 Ų13673%0.73375%0.75SS**  trans78.5120.2135.5-65.3173.5000124
416M37.8Very low37Very low149 Ų149137.6 Ų137.673%0.73476%0.755SS**  84.6107.4129.3-65.1-73.9-178.500121.3
417N34.3Very low37Very low128 Ų128137.8 Ų137.868%0.68476%0.755SS**  28128.5108-72.911.6000116.6
418N36.5Very low37Very low133 Ų133136.8 Ų136.871%0.71176%0.757SS**  -178.7162.153.9-118.4-3.2000110.9
419T34.8Very low36.8Very low106 Ų106140.7 Ų140.765%0.6576%0.757SS**  trans16.2147.7144.739.80000121.3
420D35.3Very low36.8Very low131 Ų131142.5 Ų142.570%0.70176%0.761SS**  cis-175174.326.9-123.9-27.5000113.1
421I38.8Very low36.5Very low130 Ų130137.2 Ų137.267%0.66776%0.758SS**  trans80.8117.3141.6-75164.5000123.4
422E37.3Very low36.2Very low164 Ų164133.7 Ų133.777%0.76676%0.758SS**  trans63.4110.2135-61.2173.6-173.200125.5
423E34.6Very low36Very low164 Ų164136 Ų13677%0.76676%0.762SS**  57.1145.4105.8-128.4-168.717600124.7
424L34.8Very low35.7Very low153 Ų153132.6 Ų132.680%0.80175%0.75SS**  trans81.9122.6157.2-58175.3000121.7
425G33.2Very low35.5Very low79 Ų79135.1 Ų135.181%0.81476%0.757SS**  trans133.997.913900000118.6
426E34.4Very low35.5Very low188 Ų188136.1 Ų136.188%0.87976%0.762SS**  trans-81.6155.2147.3-69.1-157.6160.400109.9
427P36.4Very low35.3Very low118 Ų118136.8 Ų136.877%0.76676%0.763SS**  -149.6146.792.235.5-16.5000117.5
428S33.3Very low35.2Very low97 Ų97136.9 Ų136.968%0.67877%0.771SS**  trans-5.9136.9154.259.80000121.6
429R37.6Very low34.8Very low217 Ų217141.1 Ų141.182%0.81978%0.777SS**  -174.2125.5116.1-108.5-175.2160.7116.5-0.1117.6
430E36.2Very low34.4Very low172 Ų172141.2 Ų141.280%0.80478%0.782SS**  trans33.5128.5135.5-59174126.200122.9
431G35Very low34.5Very low81 Ų81141 Ų14184%0.83579%0.787SS**  trans16288.3148.600000120.1
432G34.9Very low34.1Very low81 Ų81140.5 Ų140.584%0.83579%0.79SS**  trans70.6157.3159.100000118.2
433D37.5Very low33.8Very low160 Ų160137.5 Ų137.586%0.85679%0.788SS**  cis-156.9154.4-3.3-169.117.6000111.5
434S32.7Very low33.9Very low86 Ų86136.8 Ų136.860%0.60178%0.784SS**  trans40.3130158.9-152.50000125.1
435M33.4Very low34Very low160 Ų160136 Ų13679%0.78878%0.781SS**  trans98.6127.2134.9-103.1172.168.700122.8
436L36.1Very low34.6Very low161 Ų161135.7 Ų135.784%0.84377%0.766SS**  trans92.4117.4165.1-54.3177.8000118.7
437Q33.9Very low35.8Very low164 Ų164129.6 Ų129.677%0.76674%0.744SS**  trans-85.1156.8177.4-98.3-171.124.600111.3
438P31.8Very low36.6Very low130 Ų130124.7 Ų124.784%0.84471%0.711SS**  -140.3158.982.831.7-12.1000117.5
439R29Very low37.4Very low221 Ų221123.1 Ų123.183%0.83470%0.704SS**PPolyproline II helixtrans-48.4144.5-178.4-63.4165.5173.1177.7-5.4115.4
440S26.9Very low38.1Very low108 Ų108118.9 Ų118.976%0.75569%0.688SS**PPolyproline II helixtrans-71.6139167.748.40000112.7
441P36.7Very low39Very low126 Ų126111.3 Ų111.382%0.81865%0.652SS**PPolyproline II helixtrans-83.5120.4166.731.1-29.4000110.5
442V29.6Very low40.1Very low120 Ų120110 Ų11073%0.72763%0.626SS**PPolyproline II helixtrans-49.9140.5174.61730000112.3Q444V442-Q444 PolarHBondContact O-N 3.42Å
443S31Very low40.7Very low102 Ų102111.5 Ų111.571%0.71361%0.611SS**  trans-39.3103.5163.6174.70000112.5
444Q38.1Very low41.5Very low149 Ų149110 Ų11070%0.69659%0.594SS**  trans-108.6103.7172-73.6-161.64.400110.5V442 C446V442-Q444 PolarHBondContact O-N 3.42Å; Q444-C446 PolarHBondContact O-N 3.37Å; Q444-C446 VanDerWaalsContact O-N 3.09Å
445N36.3Very low42.4Very low135 Ų135107.8 Ų107.872%0.72258%0.575SS**  trans-55.3113.7169.3-65.3-25.9000109.7S447 R450N445-S447 PolarHBondContact O-N 3.16Å; N445-R450 PolarHBondContact O-NH1 3Å
446C45.1Very low43.2Very low74 Ų74105.6 Ų105.650%0.557%0.566SS.*  trans-93.497.2178.4-164.20000109Q444Q444-C446 PolarHBondContact O-N 3.37Å; Q444-C446 VanDerWaalsContact O-N 3.09Å
447S59.7Low43.7Very low60 Ų60102.3 Ų102.342%0.4255%0.549SS..  trans-75.1152.9172.762.30000110.6N445 A449 R450 F451N445-S447 PolarHBondContact O-N 3.16Å; S447-A449 PolarHBondContact O-N 3.46Å; S447-A449 VanDerWaalsContact O-N 3.13Å; S447-R450 WeakPolarHBondContact O-CA 3.12Å; S447-R450 WeakPolarHBondContact O-CB 3.2Å; S447-R450 PolarHBondContact O-N 2.92Å; S447-R450 PolarHBondContact OG-N 3.47Å; S447-F451 PolarHBondContact O-N 3Å
448M54.4Low44.2Very low14 Ų14100.2 Ų100.27%0.06954%0.539CS..Hα-helixtrans-54.9-31.6171.3-172.365.270.900111.9E364 A367 I371 R450 F451 L452 L606E364-M448 HydrophobicContact CB-CB 4.25Å; E364-M448 HydrophobicContact CG-CB 4.02Å; E364-M448 HydrophobicContact CG-CE 3.87Å; E364-M448 HydrophobicContact CG-CG 4.41Å; A367-M448 HydrophobicContact CB-CE 4.34Å; A367-M448 HydrophobicContact CB-CG 3.81Å; A367-M448 HydrophobicContact CB-SD 3.9Å; I371-M448 HydrophobicContact CD1-SD 4.39Å; M448-R450 PolarHBondContact O-N 3.01Å; M448-F451 PolarHBondContact O-N 3.17Å; M448-F451 VanDerWaalsContact O-N 3.16Å; M448-F451 HydrophobicContact SD-CB 4.41Å; M448-F451 HydrophobicContact SD-CD1 3.88Å; M448-L452 HydrophobicContact CG-CD1 4.21Å; M448-L452 HydrophobicContact CG-CG 4.38Å; M448-L452 WeakPolarHBondContact O-CB 3.46Å; M448-L452 WeakPolarHBondContact O-CG 3.28Å; M448-L452 PolarHBondContact O-N 3.35Å; M448-L606 HydrophobicContact CE-CD1 3.9Å; M448-L606 HydrophobicContact SD-CD1 3.99Å
449A50.1Low44.5Very low64 Ų6494.9 Ų94.953%0.52951%0.506SS..Hα-helixtrans-62.1-37.917200000112.8S447 H453S447-A449 PolarHBondContact O-N 3.46Å; S447-A449 VanDerWaalsContact O-N 3.13Å; A449-H453 WeakPolarHBondContact O-CB 3.36Å; A449-H453 PolarHBondContact O-N 3.44Å
450R51.9Low44.9Very low129 Ų12990.8 Ų90.849%0.48750%0.496SS..Hα-helixtrans-69.9-33.3170.9-83.3-170.3178.4172.1-2.3112.8N445 S447 M448 Y454N445-R450 PolarHBondContact O-NH1 3Å; S447-R450 WeakPolarHBondContact O-CA 3.12Å; S447-R450 WeakPolarHBondContact O-CB 3.2Å; S447-R450 PolarHBondContact O-N 2.92Å; S447-R450 PolarHBondContact OG-N 3.47Å; M448-R450 PolarHBondContact O-N 3.01Å; R450-Y454 WeakPolarHBondContact O-CB 3.31Å; R450-Y454 PolarHBondContact O-N 3.36Å
451F55.9Low45.2Very low13 Ų1392.8 Ų92.86%0.05750%0.497CS..Hα-helixtrans-69.4-45.3173.6178.9-124.5000112I371 S447 M448 H453 Y454 L455 L602 L606I371-F451 HydrophobicContact CD1-CD1 4.28Å; I371-F451 HydrophobicContact CD1-CE1 3.76Å; S447-F451 PolarHBondContact O-N 3Å; M448-F451 PolarHBondContact O-N 3.17Å; M448-F451 VanDerWaalsContact O-N 3.16Å; M448-F451 HydrophobicContact SD-CB 4.41Å; M448-F451 HydrophobicContact SD-CD1 3.88Å; F451-H453 VanDerWaalsContact C-N 3.33Å; F451-H453 PolarHBondContact O-N 3.02Å; F451-Y454 CarbonylContact O-C 3.58Å; F451-Y454 WeakPolarHBondContact O-CB 3.34Å; F451-Y454 PolarHBondContact O-N 2.94Å; F451-Y454 VanDerWaalsContact O-N 3.13Å; F451-L455 HydrophobicContact CD1-CD1 4.02Å; F451-L455 HydrophobicContact CD1-CG 4.49Å; F451-L455 HydrophobicContact CD2-CG 4.18Å; F451-L455 HydrophobicContact CE1-CD1 3.51Å; F451-L455 HydrophobicContact CE1-CG 4.11Å; F451-L455 HydrophobicContact CE2-CD1 4.1Å; F451-L455 HydrophobicContact CE2-CD2 3.84Å; F451-L455 HydrophobicContact CE2-CG 3.75Å; F451-L455 HydrophobicContact CZ-CD1 3.57Å; F451-L455 HydrophobicContact CZ-CD2 3.8Å; F451-L455 HydrophobicContact CZ-CG 3.73Å; F451-L455 WeakPolarHBondContact O-CG 3.39Å; F451-L455 PolarHBondContact O-N 3.27Å; F451-L602 HydrophobicContact CD2-CD2 4.43Å; F451-L602 HydrophobicContact CE2-CD1 4.18Å; F451-L602 HydrophobicContact CE2-CD2 3.64Å; F451-L602 HydrophobicContact CZ-CD1 3.98Å; F451-L602 HydrophobicContact CZ-CD2 4.26Å; F451-L606 HydrophobicContact CB-CD1 3.97Å; F451-L606 HydrophobicContact CB-CD2 3.9Å; F451-L606 HydrophobicContact CD1-CD1 3.65Å; F451-L606 HydrophobicContact CD1-CD2 3.66Å; F451-L606 HydrophobicContact CD1-CG 4.23Å; F451-L606 HydrophobicContact CD2-CD2 3.21Å; F451-L606 HydrophobicContact CD2-CG 4.49Å; F451-L606 HydrophobicContact CE1-CD1 4.26Å; F451-L606 HydrophobicContact CE1-CD2 3.9Å; F451-L606 HydrophobicContact CE2-CD2 3.49Å; F451-L606 VanDerWaalsContact CE2-CD2 3.49Å; F451-L606 HydrophobicContact CG-CD1 3.81Å; F451-L606 HydrophobicContact CG-CD2 3.28Å; F451-L606 HydrophobicContact CG-CG 4.19Å; F451-L606 HydrophobicContact CZ-CD2 3.81Å
452L56.2Low45.1Very low54 Ų5489.8 Ų89.828%0.28349%0.489SS..Hα-helixtrans-60-43.8172.9-70.3169.3000111M448 Y454 L455 I456M448-L452 HydrophobicContact CG-CD1 4.21Å; M448-L452 HydrophobicContact CG-CG 4.38Å; M448-L452 WeakPolarHBondContact O-CB 3.46Å; M448-L452 WeakPolarHBondContact O-CG 3.28Å; M448-L452 PolarHBondContact O-N 3.35Å; L452-Y454 VanDerWaalsContact C-N 3.33Å; L452-Y454 PolarHBondContact O-N 2.94Å; L452-L455 PolarHBondContact O-N 3.32Å; L452-I456 WeakPolarHBondContact O-CB 3.5Å; L452-I456 WeakPolarHBondContact O-CD1 3.19Å; L452-I456 WeakPolarHBondContact O-CG1 3.42Å; L452-I456 PolarHBondContact O-N 3.27Å
453H48.6Very low45.2Very low111 Ų11190.9 Ų90.951%0.51449%0.491SS..Hα-helixtrans-64.7-33.7173.8-177.4-108.7000112.8A449 F451 N457A449-H453 WeakPolarHBondContact O-CB 3.36Å; A449-H453 PolarHBondContact O-N 3.44Å; F451-H453 VanDerWaalsContact C-N 3.33Å; F451-H453 PolarHBondContact O-N 3.02Å; H453-N457 PolarHBondContact CD2-ND2 2.83Å; H453-N457 PolarHBondContact CE1-ND2 2.89Å; H453-N457 PolarHBondContact ND1-ND2 3.35Å; H453-N457 PolarHBondContact NE2-ND2 3.42Å; H453-N457 VanDerWaalsContact O-CB 3.23Å; H453-N457 WeakPolarHBondContact O-CB 3.45Å; H453-N457 PolarHBondContact O-N 3.01Å; H453-N457 PolarHBondContact O-ND2 3.28Å
454Y54.4Low45.5Very low128 Ų12893.5 Ų93.550%0.50250%0.497SS..Hα-helixtrans-67.3-47172.2179.2-88.3000110.8R450 F451 L452 I456 N457 H458R450-Y454 WeakPolarHBondContact O-CB 3.31Å; R450-Y454 PolarHBondContact O-N 3.36Å; F451-Y454 CarbonylContact O-C 3.58Å; F451-Y454 WeakPolarHBondContact O-CB 3.34Å; F451-Y454 PolarHBondContact O-N 2.94Å; F451-Y454 VanDerWaalsContact O-N 3.13Å; L452-Y454 VanDerWaalsContact C-N 3.33Å; L452-Y454 PolarHBondContact O-N 2.94Å; Y454-I456 VanDerWaalsContact C-N 3.31Å; Y454-I456 PolarHBondContact O-N 2.96Å; Y454-N457 PolarHBondContact O-N 3.36Å; Y454-H458 AromaticContact CD2-CD2 3.18Å; Y454-H458 WeakPolarHBondContact CD2-CD2 3.37Å; Y454-H458 AromaticContact CD2-NE2 3.52Å; Y454-H458 HydrophobicContact CE1-CB 4.45Å; Y454-H458 AromaticContact CE2-CD2 3.2Å; Y454-H458 WeakPolarHBondContact CE2-CD2 3.24Å; Y454-H458 AromaticContact CE2-CG 3.89Å; Y454-H458 AromaticContact CE2-NE2 3.38Å; Y454-H458 WeakPolarHBondContact CE2-NE2 3.35Å; Y454-H458 AromaticContact CG-CD2 3.72Å; Y454-H458 AromaticContact CZ-CD2 3.75Å; Y454-H458 VanDerWaalsContact O-CB 3.3Å; Y454-H458 WeakPolarHBondContact O-CB 3.48Å; Y454-H458 PolarHBondContact O-CD2 2.96Å; Y454-H458 PolarHBondContact O-N 2.82Å
455L52.2Low45.1Very low41 Ų4189.8 Ų89.822%0.21550%0.499CS..Hα-helixtrans-59.7-40.1173.7-70.7177.3000112F451 L452 A459 F517F451-L455 HydrophobicContact CD1-CD1 4.02Å; F451-L455 HydrophobicContact CD1-CG 4.49Å; F451-L455 HydrophobicContact CD2-CG 4.18Å; F451-L455 HydrophobicContact CE1-CD1 3.51Å; F451-L455 HydrophobicContact CE1-CG 4.11Å; F451-L455 HydrophobicContact CE2-CD1 4.1Å; F451-L455 HydrophobicContact CE2-CD2 3.84Å; F451-L455 HydrophobicContact CE2-CG 3.75Å; F451-L455 HydrophobicContact CZ-CD1 3.57Å; F451-L455 HydrophobicContact CZ-CD2 3.8Å; F451-L455 HydrophobicContact CZ-CG 3.73Å; F451-L455 WeakPolarHBondContact O-CG 3.39Å; F451-L455 PolarHBondContact O-N 3.27Å; L452-L455 PolarHBondContact O-N 3.32Å; L455-A459 WeakPolarHBondContact O-CB 3.49Å; L455-A459 PolarHBondContact O-N 3.3Å; L455-F517 HydrophobicContact CD2-CD1 4.39Å; L455-F517 HydrophobicContact CD2-CE1 4.01Å; L455-F517 HydrophobicContact CD2-CZ 4.47Å
456I50.2Low44.9Very low114 Ų11487.8 Ų87.859%0.58550%0.495SS*.Hα-helixtrans-70.7-39.9178.6-70.6162.7000111.7L452 Y454L452-I456 WeakPolarHBondContact O-CB 3.5Å; L452-I456 WeakPolarHBondContact O-CD1 3.19Å; L452-I456 WeakPolarHBondContact O-CG1 3.42Å; L452-I456 PolarHBondContact O-N 3.27Å; Y454-I456 VanDerWaalsContact C-N 3.31Å; Y454-I456 PolarHBondContact O-N 2.96Å
457N44.9Very low44.4Very low91 Ų9190.2 Ų90.249%0.48751%0.51SS..Hα-helixtrans-89.4-21.8-175.5-66.1-8.3000114.3H453 Y454H453-N457 PolarHBondContact CD2-ND2 2.83Å; H453-N457 PolarHBondContact CE1-ND2 2.89Å; H453-N457 PolarHBondContact ND1-ND2 3.35Å; H453-N457 PolarHBondContact NE2-ND2 3.42Å; H453-N457 VanDerWaalsContact O-CB 3.23Å; H453-N457 WeakPolarHBondContact O-CB 3.45Å; H453-N457 PolarHBondContact O-N 3.01Å; H453-N457 PolarHBondContact O-ND2 3.28Å; Y454-N457 PolarHBondContact O-N 3.36Å
458H46.2Very low43.1Very low121 Ų12194.5 Ų94.556%0.5653%0.527SS*.Hα-helixtrans-101.2-1.3172.9-65.5-81000112.8Y454 E460Y454-H458 AromaticContact CD2-CD2 3.18Å; Y454-H458 WeakPolarHBondContact CD2-CD2 3.37Å; Y454-H458 AromaticContact CD2-NE2 3.52Å; Y454-H458 HydrophobicContact CE1-CB 4.45Å; Y454-H458 AromaticContact CE2-CD2 3.2Å; Y454-H458 WeakPolarHBondContact CE2-CD2 3.24Å; Y454-H458 AromaticContact CE2-CG 3.89Å; Y454-H458 AromaticContact CE2-NE2 3.38Å; Y454-H458 WeakPolarHBondContact CE2-NE2 3.35Å; Y454-H458 AromaticContact CG-CD2 3.72Å; Y454-H458 AromaticContact CZ-CD2 3.75Å; Y454-H458 VanDerWaalsContact O-CB 3.3Å; Y454-H458 WeakPolarHBondContact O-CB 3.48Å; Y454-H458 PolarHBondContact O-CD2 2.96Å; Y454-H458 PolarHBondContact O-N 2.82Å; H458-E460 PolarHBondContact O-N 2.8Å
459A38.1Very low42.2Very low18 Ų18102.5 Ų102.515%0.14956%0.564CS.*SBendtrans-64.987.7148.500000107.9L455 I461L455-A459 WeakPolarHBondContact O-CB 3.49Å; L455-A459 PolarHBondContact O-N 3.3Å; A459-I461 PolarHBondContact O-N 3.34Å
460E36.4Very low41.4Very low135 Ų135107 Ų10763%0.63158%0.579SS**  trans-54.7108.4169.7-72179.4154.600108H458 G462 R514 C518H458-E460 PolarHBondContact O-N 2.8Å; E460-G462 VanDerWaalsContact C-N 3.26Å; E460-G462 PolarHBondContact O-N 3.46Å; E460-R514 IonicContact OE2-NH1 2.75Å; E460-C518 PolarHBondContact O-SG 2.98Å
461I34Very low40.6Very low149 Ų149106.9 Ų106.976%0.76459%0.593SS**  trans-65.397.9164.9-62.2175.3000105A459 N463A459-I461 PolarHBondContact O-N 3.34Å; I461-N463 PolarHBondContact O-N 2.8Å
462G34.5Very low39.7Very low64 Ų64113.2 Ų113.266%0.6663%0.627SS**  trans-61.488169.300000108.4E460 D464E460-G462 VanDerWaalsContact C-N 3.26Å; E460-G462 PolarHBondContact O-N 3.46Å; G462-D464 PolarHBondContact O-N 3.13Å
463N31.6Very low38.9Very low143 Ų143115.2 Ų115.277%0.76565%0.646SS**  trans-79.975.2176.4-162.152.9000107.4I461 G465I461-N463 PolarHBondContact O-N 2.8Å; N463-G465 PolarHBondContact O-N 3.45Å
464D36.4Very low38.4Very low156 Ų156116.3 Ų116.383%0.83466%0.656SS**  trans-64.785.6170.5-85-19.4000108.4G462 S466G462-D464 PolarHBondContact O-N 3.13Å; D464-S466 PolarHBondContact O-N 3.46Å
465G31.1Very low37.4Very low72 Ų72120.5 Ų120.574%0.74267%0.67SS**  trans-72.288.3179.900000111.3N463N463-G465 PolarHBondContact O-N 3.45Å
466S31.2Very low36.8Very low92 Ų92124 Ų12464%0.64369%0.694SS**  trans-139119.2153.160.40000109.1D464 I468D464-S466 PolarHBondContact O-N 3.46Å; S466-I468 PolarHBondContact O-N 2.87Å
467P34.5Very low36.2Very low126 Ų126125.9 Ų125.982%0.81871%0.705SS**  trans-76.1122.617930.1-31.7000110
468I33.7Very low36Very low149 Ų149126.8 Ų126.876%0.76472%0.719SS**  trans-84.9115.9162.9-64.9173.1000106.2S466 D470S466-I468 PolarHBondContact O-N 2.87Å; I468-D470 PolarHBondContact O-N 2.81Å
469E34.3Very low35.7Very low182 Ų182124.2 Ų124.285%0.8573%0.725SS**  trans-74.9121.5171.8-74.1-169.414300110.3T471E469-T471 PolarHBondContact O-N 3.16Å
470D34.4Very low35.8Very low159 Ų159130.6 Ų130.685%0.8576%0.756SS**  trans-68.5113.9179.5-79.7-49.8000112.2I468 N472I468-D470 PolarHBondContact O-N 2.81Å; D470-N472 PolarHBondContact O-N 3.06Å
471T34.7Very low36.1Very low126 Ų126129.7 Ų129.777%0.77376%0.76SS**  trans-82.6101.8157.1450000109.5E469E469-T471 PolarHBondContact O-N 3.16Å
472N36.4Very low36.4Very low146 Ų146130 Ų13078%0.78176%0.758SS**  173.2148118.8-95.4-56.9000116.7D470D470-N472 PolarHBondContact O-N 3.06Å
473S38.8Very low36.8Very low97 Ų97133.2 Ų133.268%0.67876%0.76SS**  trans90.7111.7144.879.90000121
474N38Very low37.2Very low134 Ų134132 Ų13272%0.71775%0.754SS**  trans77.9101.9130.4-70.7-33.1000121.8
475R35Very low37.5Very low215 Ų215130 Ų13081%0.81175%0.747SS**  107.3120.1113.2-79.4179.7174.4178-2.3119.7
476T37.8Very low37.9Very low115 Ų115133.2 Ų133.271%0.70675%0.753SS**  trans82112.513750.90000121.4
477N38.5Very low38.2Very low154 Ų154132 Ų13282%0.82475%0.754SS**  trans68.3140.1139.1-62.11.3000118.4
478S41.1Very low38.5Very low110 Ų110132.9 Ų132.977%0.76975%0.752SS**  cis-172.6142.5-2.243.10000111.4
479G38.9Very low38.8Very low67 Ų67132.5 Ų132.569%0.69175%0.751SS**  trans73.9151.4165.700000116
480D40.4Very low38.9Very low152 Ų152127.3 Ų127.381%0.81374%0.74SS**  cis-167.9149.6-9.1-114.6-30.8000108.7
481V42.3Very low39.1Very low115 Ų115127 Ų12770%0.69774%0.737SS**  trans64.6131.6145.1171.70000117.8
482Q41.9Very low39.1Very low157 Ų157127.5 Ų127.573%0.73474%0.735SS**  cis-166.3153.48.1-125.3166.8-9.800110.2
483N41.5Very low39.1Very low131 Ų131124.6 Ų124.670%0.70173%0.732SS**  trans45.6152.3140.2-72.137.7000122.5
484D40.5Very low39Very low118 Ų118127.8 Ų127.863%0.63174%0.736SS**  cis-160.3165.518.4-135.6-50.6000113.4
485T41.9Very low38.7Very low112 Ų112127.4 Ų127.469%0.68774%0.739SS**  trans10.7151.3152.839.20000121.4
486T41Very low38.6Very low141 Ų141121 Ų12187%0.86574%0.739SS**  cis-171.7170.12.717.70000107.6
487G37.5Very low38.3Very low66 Ų66119.1 Ų119.168%0.6874%0.743SS**  cis161.2168.6-200000113.1
488D40.5Very low38.1Very low145 Ų145117.2 Ų117.278%0.77574%0.741SS**  trans70.5116.5155.1-90.618000125
489N38.8Very low37.7Very low140 Ų140119.5 Ų119.575%0.74975%0.745SS**  trans63.8158.2135.8-57.6-37.9000122.4
490A37.7Very low37.5Very low74 Ų74120.2 Ų120.261%0.61275%0.753SS**  cis-179.7152.9-35.400000108.1
491L37.1Very low37.1Very low151 Ų151119.3 Ų119.379%0.79175%0.753SS**  trans66.5155.1164.1-51.8-178.4000116
492D35.4Very low36.5Very low137 Ų137118.4 Ų118.473%0.73376%0.758SS**  cis-163.3167.9-8.5-112.9-21.4000110.5
493A37.5Very low36Very low85 Ų85117.4 Ų117.470%0.70276%0.762SS**  trans72125.2141.800000124.6
494E35.2Very low35.4Very low164 Ų164118.8 Ų118.877%0.76677%0.765SS**  78102.2127.8-62.9-71.9154.900123.2
495T32.5Very low35Very low127 Ų127121.3 Ų121.378%0.77978%0.778SS**  60.1125.6112.4-46.10000123.3
496G33.2Very low34.5Very low79 Ų79123.2 Ų123.281%0.81478%0.779SS**  trans102.2144.4161.100000114.4
497G30.8Very low34.1Very low76 Ų76124.9 Ų124.978%0.78478%0.776SS**  cis163.2168.9-2.600000110.5
498S34.6Very low33.8Very low114 Ų114126.5 Ų126.580%0.79778%0.778SS**  trans75.4110.3167.1-168.40000120.5
499D31.7Very low33.2Very low158 Ų158127.4 Ų127.485%0.84578%0.782SS**  trans23.4132.7135.7-64.5-24.3000122.8
500G35.1Very low32.7Very low83 Ų83124.1 Ų124.186%0.85677%0.77SS**  trans-155.4114.6160.300000111.2
501T32.1Very low32.4Very low132 Ų132126.6 Ų126.681%0.8178%0.78SS**  trans-93.4153-164.8510000116.1
502A29.8Very low32.2Very low97 Ų97127.9 Ų127.980%0.80278%0.776SS**  trans69.4152.5157.700000116.5
503T32.6Very low32Very low136 Ų136128.1 Ų128.183%0.83478%0.776SS**  cis-139.5163.521.947.30000113.9
504E28Very low31.9Very low160 Ų160134.5 Ų134.575%0.74878%0.782SS**  trans-63157.7-179.5-58.1158.2130.800115.2
505N32.9Very low32.2Very low170 Ų170129.6 Ų129.691%0.90976%0.761SS**  trans-151.3128.6143.4-110.4-36.3000111.2
506H30.7Very low32.8Very low152 Ų152128 Ų12870%0.70475%0.747SS**  trans-75151.1-174.8-64.7-95.5000113.6
507H32.1Very low33.3Very low176 Ų176126.8 Ų126.882%0.81572%0.72SS**  168.497.1128.9-94.371.8000108.4
508S31.4Very low33.7Very low101 Ų101124.8 Ų124.871%0.70669%0.693SS**  9499.579.868.70000114
509N27.2Very low34.2Very low164 Ų164128.7 Ų128.788%0.87769%0.69SS**  trans-13.5137.2166.8-58.4-14.7000120
510S29.6Very low34.8Very low71 Ų71123.5 Ų123.550%0.49766%0.66SS.*  -165130.9114.8-173.40000111.9Y512S510-Y512 PolarHBondContact O-N 3.47Å; S510-Y512 VanDerWaalsContact O-N 3.15Å; S510-Y512 WeakPolarHBondContact OG-CD2 3.42Å; S510-Y512 WeakPolarHBondContact OG-CE2 3.23Å
511P30.7Very low35.1Very low126 Ų126123.3 Ų123.382%0.81864%0.64SS**  trans-86.172.4176.636.3-34000111.4
512Y32.9Very low35.5Very low178 Ų178121.9 Ų121.970%0.69863%0.627SS**  trans-81.1134170.7-73.9-67.3000111.2S510 R514S510-Y512 PolarHBondContact O-N 3.47Å; S510-Y512 VanDerWaalsContact O-N 3.15Å; S510-Y512 WeakPolarHBondContact OG-CD2 3.42Å; S510-Y512 WeakPolarHBondContact OG-CE2 3.23Å; Y512-R514 PolarHBondContact O-N 2.84Å
513L31.6Very low35.9Very low142 Ų142118.5 Ų118.574%0.74360%0.601SS**  trans-50.2100.3172.7-97.672000110.9I515L513-I515 VanDerWaalsContact C-N 3.26Å; L513-I515 PolarHBondContact O-N 3.13Å
514R35.4Very low36.4Very low218 Ų218116.6 Ų116.682%0.82359%0.589SS**  trans-70.988.1160.9-90.3-169.6170.4-139.6-3.9107.8E460 Y512 N516E460-R514 IonicContact OE2-NH1 2.75Å; Y512-R514 PolarHBondContact O-N 2.84Å; R514-N516 PolarHBondContact O-N 3.24Å
515I41.8Very low36.7Very low62 Ų62113.6 Ų113.632%0.31859%0.586SS.*  trans-57.4108160.8-61.4176.4000106.1L513 F517L513-I515 VanDerWaalsContact C-N 3.26Å; L513-I515 PolarHBondContact O-N 3.13Å; I515-F517 VanDerWaalsContact C-N 3.27Å; I515-F517 HydrophobicContact CG2-CD2 3.89Å; I515-F517 HydrophobicContact CG2-CE2 4.34Å; I515-F517 PolarHBondContact O-N 3Å
516N45.7Very low36.8Very low92 Ų92111 Ų11149%0.49257%0.572SS.*  trans-72.287.7179.2-174.5-31.7000108.3R514 C518 R519 F520R514-N516 PolarHBondContact O-N 3.24Å; N516-C518 PolarHBondContact O-N 3.38Å; N516-C518 PolarHBondContact OD1-N 3.05Å; N516-R519 HydrophobicContact CB-CB 3.89Å; N516-R519 CarbonylContact O-C 3.6Å; N516-R519 WeakPolarHBondContact O-CA 3.26Å; N516-R519 WeakPolarHBondContact O-CB 3.41Å; N516-R519 PolarHBondContact O-N 3.22Å; N516-R519 PolarHBondContact OD1-N 2.99Å; N516-F520 PolarHBondContact O-N 2.94Å
517F43.5Very low36.9Very low54 Ų54109.6 Ų109.624%0.23758%0.575CS.*Hα-helixtrans-63.5-25.6-172.9-127.3-97.4000112.3L455 I515 F520 L521L455-F517 HydrophobicContact CD2-CD1 4.39Å; L455-F517 HydrophobicContact CD2-CE1 4.01Å; L455-F517 HydrophobicContact CD2-CZ 4.47Å; I515-F517 VanDerWaalsContact C-N 3.27Å; I515-F517 HydrophobicContact CG2-CD2 3.89Å; I515-F517 HydrophobicContact CG2-CE2 4.34Å; I515-F517 PolarHBondContact O-N 3Å; F517-F520 AromaticContact CD1-CD1 3.8Å; F517-F520 HydrophobicContact CD1-CD1 3.8Å; F517-F520 HydrophobicContact CD1-CE1 4Å; F517-F520 HydrophobicContact CD2-CD1 4.39Å; F517-F520 AromaticContact CE1-CD1 3.72Å; F517-F520 HydrophobicContact CE1-CD1 3.72Å; F517-F520 AromaticContact CE1-CE1 3.41Å; F517-F520 HydrophobicContact CE1-CE1 3.41Å; F517-F520 VanDerWaalsContact CE1-CE1 3.41Å; F517-F520 HydrophobicContact CE1-CZ 4.38Å; F517-F520 HydrophobicContact CE2-CD1 4.31Å; F517-F520 HydrophobicContact CE2-CE1 4.03Å; F517-F520 HydrophobicContact CE2-CZ 4.38Å; F517-F520 HydrophobicContact CG-CD1 4.16Å; F517-F520 AromaticContact CZ-CD1 3.99Å; F517-F520 HydrophobicContact CZ-CD1 3.99Å; F517-F520 AromaticContact CZ-CE1 3.43Å; F517-F520 HydrophobicContact CZ-CE1 3.43Å; F517-F520 VanDerWaalsContact CZ-CE1 3.43Å; F517-F520 AromaticContact CZ-CZ 3.97Å; F517-F520 HydrophobicContact CZ-CZ 3.97Å; F517-F520 WeakPolarHBondContact O-CB 3.3Å; F517-F520 PolarHBondContact O-N 2.93Å; F517-L521 WeakPolarHBondContact O-CG 3.5Å; F517-L521 PolarHBondContact O-N 2.99Å
518C39.1Very low36.9Very low34 Ų34108.1 Ų108.123%0.2357%0.571CS.*Hα-helixtrans-67.3-44.3170.3-55.90000111.4E460 N516 F520 L521 N522E460-C518 PolarHBondContact O-SG 2.98Å; N516-C518 PolarHBondContact O-N 3.38Å; N516-C518 PolarHBondContact OD1-N 3.05Å; C518-F520 VanDerWaalsContact C-N 3.27Å; C518-F520 PolarHBondContact O-N 3.48Å; C518-L521 PolarHBondContact O-N 2.8Å; C518-N522 VanDerWaalsContact O-CB 3.25Å; C518-N522 WeakPolarHBondContact O-CB 3.23Å; C518-N522 PolarHBondContact O-N 2.76Å; C518-N522 PolarHBondContact O-ND2 3.22Å
519R43.5Very low36.9Very low196 Ų196111.3 Ų111.374%0.7458%0.579SS**Hα-helixtrans-65.9-29.1173.5-165.8175.2-175.1138.2-0.9112.4N516 G523N516-R519 HydrophobicContact CB-CB 3.89Å; N516-R519 CarbonylContact O-C 3.6Å; N516-R519 WeakPolarHBondContact O-CA 3.26Å; N516-R519 WeakPolarHBondContact O-CB 3.41Å; N516-R519 PolarHBondContact O-N 3.22Å; N516-R519 PolarHBondContact OD1-N 2.99Å; R519-G523 WeakPolarHBondContact O-CA 3.41Å; R519-G523 PolarHBondContact O-N 2.81Å
520F45.5Very low37Very low49 Ų49107 Ų10722%0.21557%0.573CS.*Hα-helixtrans-73.8-46175.4167.8-95.1000112.4L374 N516 F517 C518 G523 V524L374-F520 HydrophobicContact CB-CE2 4.08Å; L374-F520 HydrophobicContact CB-CZ 3.61Å; L374-F520 HydrophobicContact CD1-CE1 3.87Å; L374-F520 HydrophobicContact CD1-CZ 3.66Å; L374-F520 HydrophobicContact CD2-CE1 4.37Å; L374-F520 HydrophobicContact CD2-CE2 3.94Å; L374-F520 HydrophobicContact CD2-CZ 3.76Å; L374-F520 HydrophobicContact CG-CE2 4.43Å; L374-F520 HydrophobicContact CG-CZ 3.86Å; N516-F520 PolarHBondContact O-N 2.94Å; F517-F520 AromaticContact CD1-CD1 3.8Å; F517-F520 HydrophobicContact CD1-CD1 3.8Å; F517-F520 HydrophobicContact CD1-CE1 4Å; F517-F520 HydrophobicContact CD2-CD1 4.39Å; F517-F520 AromaticContact CE1-CD1 3.72Å; F517-F520 HydrophobicContact CE1-CD1 3.72Å; F517-F520 AromaticContact CE1-CE1 3.41Å; F517-F520 HydrophobicContact CE1-CE1 3.41Å; F517-F520 VanDerWaalsContact CE1-CE1 3.41Å; F517-F520 HydrophobicContact CE1-CZ 4.38Å; F517-F520 HydrophobicContact CE2-CD1 4.31Å; F517-F520 HydrophobicContact CE2-CE1 4.03Å; F517-F520 HydrophobicContact CE2-CZ 4.38Å; F517-F520 HydrophobicContact CG-CD1 4.16Å; F517-F520 AromaticContact CZ-CD1 3.99Å; F517-F520 HydrophobicContact CZ-CD1 3.99Å; F517-F520 AromaticContact CZ-CE1 3.43Å; F517-F520 HydrophobicContact CZ-CE1 3.43Å; F517-F520 VanDerWaalsContact CZ-CE1 3.43Å; F517-F520 AromaticContact CZ-CZ 3.97Å; F517-F520 HydrophobicContact CZ-CZ 3.97Å; F517-F520 WeakPolarHBondContact O-CB 3.3Å; F517-F520 PolarHBondContact O-N 2.93Å; C518-F520 VanDerWaalsContact C-N 3.27Å; C518-F520 PolarHBondContact O-N 3.48Å; F520-G523 PolarHBondContact O-N 2.73Å; F520-V524 PolarHBondContact O-N 2.84Å; F520-V524 VanDerWaalsContact O-N 3.09Å
521L41.9Very low37Very low80 Ų80110.2 Ų110.242%0.41959%0.59SS.*Hα-helixtrans-68.2-38.7173.2-69177.6000112.2F517 C518 G523 V524 S525F517-L521 WeakPolarHBondContact O-CG 3.5Å; F517-L521 PolarHBondContact O-N 2.99Å; C518-L521 PolarHBondContact O-N 2.8Å; L521-G523 VanDerWaalsContact C-N 3.28Å; L521-G523 PolarHBondContact O-N 3.44Å; L521-V524 PolarHBondContact O-N 3.27Å; L521-S525 PolarHBondContact O-N 2.94Å
522N40.6Very low36.8Very low101 Ų101109.1 Ų109.154%0.5459%0.585SS.*Hα-helixtrans-66.2-31.6171-70.6-14.2000111.8C518 S525 N526C518-N522 VanDerWaalsContact O-CB 3.25Å; C518-N522 WeakPolarHBondContact O-CB 3.23Å; C518-N522 PolarHBondContact O-N 2.76Å; C518-N522 PolarHBondContact O-ND2 3.22Å; N522-S525 PolarHBondContact O-N 3.01Å; N522-N526 WeakPolarHBondContact O-CB 3.2Å; N522-N526 PolarHBondContact O-N 3.46Å
523G37Very low36.6Very low26 Ų26106.3 Ų106.327%0.26859%0.587SS.*Hα-helixtrans-60.6-43.1171.700000112.2R519 F520 L521 S525 N526 T527R519-G523 WeakPolarHBondContact O-CA 3.41Å; R519-G523 PolarHBondContact O-N 2.81Å; F520-G523 PolarHBondContact O-N 2.73Å; L521-G523 VanDerWaalsContact C-N 3.28Å; L521-G523 PolarHBondContact O-N 3.44Å; G523-S525 PolarHBondContact O-N 3.05Å; G523-N526 CarbonylContact O-C 3.6Å; G523-N526 PolarHBondContact O-N 3.45Å; G523-T527 PolarHBondContact O-N 2.71Å; G523-T527 PolarHBondContact O-OG1 3.43Å
524V43Very low36.6Very low96 Ų96105.5 Ų105.558%0.58259%0.588SS**Hα-helixtrans-63.9-23.7176.9176.60000112.9L374 F520 L521L374-V524 HydrophobicContact CD2-CG2 4.07Å; F520-V524 PolarHBondContact O-N 2.84Å; F520-V524 VanDerWaalsContact O-N 3.09Å; L521-V524 PolarHBondContact O-N 3.27Å
525S35.3Very low36.2Very low98 Ų98100.1 Ų100.169%0.68558%0.582SS**Hα-helixtrans-87.8-22.2169.8-69.10000114.5L521 N522 G523L521-S525 PolarHBondContact O-N 2.94Å; N522-S525 PolarHBondContact O-N 3.01Å; G523-S525 PolarHBondContact O-N 3.05Å
526N33.6Very low35.6Very low114 Ų114104.5 Ų104.561%0.6160%0.601SS**Hα-helixtrans-106.92.5-172.5-70.4-10.6000114.7N522 G523 I528N522-N526 WeakPolarHBondContact O-CB 3.2Å; N522-N526 PolarHBondContact O-N 3.46Å; G523-N526 CarbonylContact O-C 3.6Å; G523-N526 PolarHBondContact O-N 3.45Å; N526-I528 PolarHBondContact O-N 2.71Å
527T33.7Very low34.8Very low124 Ų124107.8 Ų107.876%0.76161%0.613SS**  trans-74.426.3174.6-54.50000113.2G523G523-T527 PolarHBondContact O-N 2.71Å; G523-T527 PolarHBondContact O-OG1 3.43Å
528I32.8Very low34.2Very low144 Ų144109.6 Ų109.674%0.73863%0.632SS**SBendtrans-122.1115.8161.6-61.2175.6000105.1N526N526-I528 PolarHBondContact O-N 2.71Å
529I29.8Very low33.6Very low169 Ų169114.6 Ų114.687%0.86766%0.657SS**SBendtrans86.1125-174.6-51.2148000114.7
530G29.1Very low33Very low74 Ų74113.1 Ų113.176%0.76366%0.658SS**  trans136.871.2161.700000116.7
531T30.9Very low32.3Very low137 Ų137117.6 Ų117.684%0.8469%0.685SS**  trans-57.5139.8176.647.60000116.2
532S25.9Very low31.8Very low103 Ų103121.9 Ų121.972%0.7270%0.703SS**  trans49.5127136.6-162.60000121.4
533T29.4Very low31.4Very low120 Ų120123.2 Ų123.274%0.73671%0.71SS**  175.4135.7106.736.70000114.5
534V30.8Very low31.1Very low125 Ų125127.7 Ų127.776%0.75873%0.728SS**  trans62.7107.6138.7178.90000118
535C27.1Very low30.4Very low105 Ų105131 Ų13171%0.70974%0.737SS**  70.9143.887.3-73.80000114.3
536E28.7Very low30.2Very low153 Ų153135 Ų13572%0.71575%0.749SS**  cis-173.6163.521.3-124.1171.5-157.700112.6
537H29.8Very low30Very low162 Ų162136.1 Ų136.175%0.7576%0.755SS**  trans63.4150.3157.3-69.270.2000120.9
538S30.1Very low29.7Very low91 Ų91140.8 Ų140.864%0.63676%0.758SS**  cis-170145.9-9.449.50000113.9
539N27.1Very low29.7Very low140 Ų140141.1 Ų141.175%0.74976%0.76SS**  trans60.6154.1141-61.76.5000125.8
540E31.6Very low29.8Very low164 Ų164140 Ų14077%0.76676%0.755SS**  trans72.4139.4158.1-71.9152.7-126.900119.2
541D30.3Very low29.8Very low143 Ų143142 Ų14277%0.76575%0.748SS**  cis-165170.1-25.1-127.8-24000111.3
542E31.5Very low29.9Very low170 Ų170141.5 Ų141.579%0.79475%0.745SS**  trans71140.3157.5-72-174.9159.700125
543D31.3Very low30.1Very low129 Ų129142.2 Ų142.269%0.6975%0.75SS**  trans90.584.5142-83.22.9000125.5
544N31.4Very low30.3Very low121 Ų121141 Ų14165%0.64775%0.753SS**  78.2125.2105.5-93.5-52.3000123.1
545Q28.1Very low30.3Very low165 Ų165139.3 Ų139.377%0.77175%0.746SS**  trans66108.5146.9-62.6176.939.500120.7
546I30.6Very low30.7Very low183 Ų183139.3 Ų139.394%0.93874%0.743SS**  -145.8147.6121-96.5144.6000108.1
547N29.2Very low30.8Very low137 Ų137138.3 Ų138.373%0.73374%0.742SS**  trans-134.9160.2-153.4-159-16.2000111.9
548R28.3Very low31.2Very low221 Ų221137.7 Ų137.783%0.83474%0.744SS**  trans76.1140.1177.3-49.2167.1176.4160.8-1.6113
549I32.7Very low31.2Very low151 Ų151142.2 Ų142.277%0.77476%0.755SS**  -156.4152.654.6-80.9176.6000111.8
550L33Very low31.7Very low145 Ų145141 Ų14176%0.75976%0.758SS**  trans73.488.1166.1-75.5161.2000120.2
551N28.2Very low31.7Very low118 Ų118139.3 Ų139.363%0.63176%0.759SS**  trans-93132140.5-86.2-27.1000108.5
552T32.6Very low32.1Very low125 Ų125140.6 Ų140.677%0.76776%0.764SS**  trans-124.2102.7170.4-42.30000109.2A554T552-A554 PolarHBondContact O-N 3.47Å
553S31.5Very low32.2Very low119 Ų119139.7 Ų139.783%0.83277%0.765SS**  trans-79.5115.8175.4520000110.7S555S553-S555 PolarHBondContact O-N 2.78Å
554A31.7Very low32.5Very low95 Ų95142.8 Ų142.879%0.78578%0.775SS**  trans-84105.6170.400000110.3T552T552-A554 PolarHBondContact O-N 3.47Å
555S31.3Very low32.7Very low89 Ų89146 Ų14662%0.62279%0.786SS**  trans-69.8136.2155-169.50000108.2S553 D557S553-S555 PolarHBondContact O-N 2.78Å; S555-D557 PolarHBondContact OG-OD2 3.33Å
556V36.2Very low33.3Very low105 Ų105144.8 Ų144.864%0.63679%0.789SS**  trans-117.291.4166.5-177.50000107.1
557D30.9Very low33.7Very low131 Ų131145.4 Ų145.470%0.70179%0.785SS**  trans-84.1115168-64-66.3000108.1S555S555-D557 PolarHBondContact OG-OD2 3.33Å
558N37.8Very low33.7Very low150 Ų150146.7 Ų146.780%0.80279%0.792SS**  trans-105101.3170.8-96.95.4000108.6
559E30.9Very low34.3Very low185 Ų185145.8 Ų145.886%0.86479%0.794SS**  trans-73.7127.1157.7-79.2-173.6128.500109.7
560S37.7Very low34.6Very low115 Ų115144.6 Ų144.680%0.80480%0.799SS**  trans-145.593.2148.761.90000109.4
561T31Very low34.9Very low129 Ų129143.6 Ų143.679%0.79180%0.799SS**  trans-65.4125.9165.726.40000110.4
562I38.3Very low35.6Very low170 Ų170143.6 Ų143.687%0.87281%0.806SS**  trans-152.8126145.5-92.8140000106
563D34Very low36.2Very low151 Ų151147.1 Ų147.181%0.80781%0.813SS**  trans-66.5140.2173.2-80-61.7000111.6
564E37.4Very low37.3Very low194 Ų194151 Ų15191%0.90782%0.815SS**  -163.4144.3115.7-110.4-176.4-177.200113.4V566E564-V566 PolarHBondContact O-N 2.98Å
565H35.8Very low38.5Very low189 Ų189153.8 Ų153.888%0.87581%0.812SS**  trans-75.4112-170.6-81.5-80.1000114.8
566V39.4Very low40.2Very low139 Ų139159.7 Ų159.784%0.84282%0.821SS**  trans-139.497.5153.9-169.60000114.2E564E564-V566 PolarHBondContact O-N 2.98Å
567K39.2Very low42.2Very low195 Ų195160.7 Ų160.785%0.84882%0.816SS**  trans25.6102.8147.9-66.9176178.4172.30120.4
568N30.9Very low44.8Very low164 Ų164161.3 Ų161.388%0.87781%0.813SS**  trans23.6106135.4-63.63.9000119.7
569K40.6Very low47.2Very low202 Ų202158.5 Ų158.588%0.87879%0.791SS**  trans-131.6128.7133.6-79.7-175.1177.5176.70108.5T571K569-T571 PolarHBondContact O-N 2.86Å
570S38.5Very low50.2Low126 Ų126156.1 Ų156.188%0.88178%0.775SS**  trans-74.4105-18052.10000111.2
571T39.5Very low52.8Low124 Ų124156.1 Ų156.176%0.76176%0.757SS**  trans-87145.2162.739.40000109.9K569K569-T571 PolarHBondContact O-N 2.86Å
572P43.2Very low55.9Low119 Ų119151.7 Ų151.777%0.77373%0.73SS**  trans-66.1139.4-179.627.3-34.2000110.9K574P572-K574 PolarHBondContact O-N 3.48Å
573H45.3Very low58.7Low198 Ų198147.3 Ų147.392%0.91771%0.712SS**  trans-60.7106.3172.1-84.1-63.5000109.8Q575H573-Q575 PolarHBondContact O-N 3.28Å
574K54.5Low61.7Low200 Ų200142.4 Ų142.487%0.8769%0.689SS**  trans-78.9106.9172.2-153.2173.7-169.8176.20107.5P572 R576P572-K574 PolarHBondContact O-N 3.48Å; K574-R576 PolarHBondContact O-N 2.93Å
575Q57.2Low64.5Low154 Ų154136.7 Ų136.772%0.7267%0.671SS**  trans-50.2131.9176.2-81.9168.7-69.400110.2E397 H573 K577E397-Q575 PolarHBondContact OE2-NE2 3.15Å; H573-Q575 PolarHBondContact O-N 3.28Å; Q575-K577 PolarHBondContact O-N 3.14Å
576R66.4Low67.4Low214 Ų214128.8 Ų128.881%0.80863%0.633SS**  trans-80101177.3-70.4177.778.1175.52.3107.8K574 K578K574-R576 PolarHBondContact O-N 2.93Å; R576-K578 PolarHBondContact O-N 3.13Å
577K78.6Confident70.2Confident125 Ų125124.1 Ų124.154%0.54361%0.605SS.*  trans-46.8128171.6-68.9173.8167.3-95.70110.3E394 Q575 Y579E394-K577 WeakPolarHBondContact OE1-CD 3.1Å; E394-K577 WeakPolarHBondContact OE1-CE 3.34Å; E394-K577 WeakPolarHBondContact OE1-CG 3.41Å; E394-K577 IonicContact OE1-NZ 3.17Å; E394-K577 PolarHBondContact OE1-NZ 2.88Å; E394-K577 IonicContact OE2-NZ 3.65Å; E394-K577 PolarHBondContact OE2-NZ 3.13Å; Q575-K577 PolarHBondContact O-N 3.14Å; K577-Y579 HydrophobicContact CB-CE1 4.46Å; K577-Y579 HydrophobicContact CB-CE2 3.96Å; K577-Y579 WeakPolarHBondContact CD-OH 3.33Å
578K85.8Confident72.9Confident145 Ų145114.9 Ų114.963%0.6357%0.565SS**EExtended strand (participates in β ladder)trans-94.8140.7178.2-167.1175.7-177.7-179.60109.5V395 R576V395-K578 PolarHBondContact N-O 3.2Å; R576-K578 PolarHBondContact O-N 3.13Å
579Y87Confident76Confident90 Ų90109.6 Ų109.635%0.35353%0.534SS..EExtended strand (participates in β ladder)trans-124.3149.7-178.9-60.9-70.7000111.3R9 E393 E394 K577R9-Y579 VanDerWaalsContact NH1-CE1 3.34Å; E393-Y579 CarbonylContact O-C 3.59Å; E393-Y579 VanDerWaalsContact O-CA 3.26Å; E393-Y579 WeakPolarHBondContact O-CA 3.45Å; E394-Y579 HydrophobicContact CB-CD1 3.97Å; E394-Y579 HydrophobicContact CB-CE1 3.67Å; E394-Y579 HydrophobicContact CG-CD1 4.13Å; E394-Y579 HydrophobicContact CG-CE1 3.6Å; K577-Y579 HydrophobicContact CB-CE1 4.46Å; K577-Y579 HydrophobicContact CB-CE2 3.96Å; K577-Y579 WeakPolarHBondContact CD-OH 3.33Å
580R93.2Very high78.6Confident136 Ų136104.5 Ų104.551%0.51351%0.513SS..EExtended strand (participates in β ladder)trans-125.9139175.4174.2179170.3-172.1-4.6109.4M392 E393 V395M392-R580 WeakPolarHBondContact CA-O 3.35Å; E393-R580 PolarHBondContact N-O 2.96Å; E393-R580 PolarHBondContact O-N 2.99Å; V395-R580 HydrophobicContact CG2-CB 3.73Å
581W93.9Very high81.4Confident114 Ų11499.4 Ų99.443%0.43248%0.476SS..EExtended strand (participates in β ladder)trans-74.6128.2168.7177.4-108.4000110.8M392M392-W581 HydrophobicContact CE-CB 4.23Å; M392-W581 HydrophobicContact CE-CE3 4.01Å; M392-W581 HydrophobicContact CG-CE3 4.34Å; M392-W581 HydrophobicContact SD-CB 4.19Å; M392-W581 HydrophobicContact SD-CE3 4.27Å
582V96.4Very high84Confident36 Ų3693.5 Ų93.522%0.21844%0.439CS..EExtended strand (participates in β ladder)trans-105.5120.9168.5-177.90000107G390 H391 E393G390-V582 CarbonylContact C-O 3.59Å; G390-V582 WeakPolarHBondContact CA-O 3.26Å; H391-V582 PolarHBondContact N-O 2.87Å; H391-V582 PolarHBondContact O-N 2.98Å; E393-V582 HydrophobicContact CB-CG2 3.87Å
583P95.4Very high86.5Confident78 Ų7891.1 Ų91.151%0.50642%0.417SS..  trans-70.9164.6177.831.2-35.7000111.6
584P96.8Very high88.8Confident49 Ų4986 Ų8632%0.31839%0.39SS..  trans-56.5147.5172.5-21.831.9000112.5I388 Y586I388-P584 CarbonylContact O-C 3.54Å; I388-P584 WeakPolarHBondContact O-CA 3.47Å; P584-Y586 WeakPolarHBondContact CB-O 3.08Å; P584-Y586 PolarHBondContact O-N 2.88Å
585S97Very high90.5Very high74 Ų7476.7 Ų76.752%0.51735%0.349SS..SBendtrans-61.3-33.1-178.158.80000113.2P387 I388P387-S585 WeakPolarHBondContact CA-OG 3.48Å; I388-S585 PolarHBondContact N-OG 3.04Å; I388-S585 PolarHBondContact O-N 3.21Å
586Y97.5Very high91.9Very high22 Ų2269.4 Ų69.49%0.08632%0.315CS..  trans-155.4175.4164.867.4-91.8000108.9I379 H383 G385 P386 P387 P584 Y588 E591I379-Y586 HydrophobicContact CG2-CD2 4.04Å; I379-Y586 HydrophobicContact CG2-CE2 3.41Å; I379-Y586 VanDerWaalsContact CG2-CE2 3.41Å; H383-Y586 HydrophobicContact CB-CD1 3.84Å; H383-Y586 HydrophobicContact CB-CE1 3.33Å; H383-Y586 AromaticContact CD2-CD1 3.92Å; H383-Y586 AromaticContact CD2-CE1 3.92Å; H383-Y586 AromaticContact CG-CD1 3.52Å; H383-Y586 AromaticContact CG-CE1 3.49Å; H383-Y586 VanDerWaalsContact CG-CE1 3.49Å; H383-Y586 AromaticContact ND1-CD1 3.59Å; G385-Y586 PolarHBondContact O-OH 2.76Å; P386-Y586 WeakPolarHBondContact CA-OH 3.2Å; P387-Y586 HydrophobicContact CB-CD1 3.88Å; P387-Y586 HydrophobicContact CB-CD2 4.32Å; P387-Y586 HydrophobicContact CB-CE1 3.67Å; P387-Y586 HydrophobicContact CB-CE2 4.13Å; P387-Y586 HydrophobicContact CB-CG 4.19Å; P387-Y586 WeakPolarHBondContact CB-O 3.2Å; P387-Y586 VanDerWaalsContact CD-OH 3.3Å; P387-Y586 WeakPolarHBondContact CD-OH 3.38Å; P387-Y586 HydrophobicContact CG-CE1 4.42Å; P387-Y586 HydrophobicContact CG-CE2 4.19Å; P584-Y586 WeakPolarHBondContact CB-O 3.08Å; P584-Y586 PolarHBondContact O-N 2.88Å; Y586-Y588 HydrophobicContact CE2-CD2 4.15Å; Y586-Y588 HydrophobicContact CE2-CE2 4.11Å; Y586-Y588 HydrophobicContact CE2-CG 4.41Å; Y586-E591 HydrophobicContact CD2-CG 3.99Å
587T97.1Very high93.1Very high41 Ų4161.8 Ų61.825%0.25229%0.294SS..  trans-127.5141.1168.462.20000110.2D132 K589 E590 E591D132-T587 WeakPolarHBondContact OD2-CA 3.29Å; T587-K589 VanDerWaalsContact C-N 3.28Å; T587-K589 PolarHBondContact O-N 3.46Å; T587-E590 PolarHBondContact O-N 2.96Å; T587-E590 WeakPolarHBondContact OG1-CG 3.43Å; T587-E590 PolarHBondContact OG1-N 3.11Å; T587-E591 WeakPolarHBondContact O-CB 3.48Å; T587-E591 WeakPolarHBondContact O-CG 3.39Å; T587-E591 PolarHBondContact O-N 3.42Å
588Y96.9Very high93.7Very high1 Ų161.8 Ų61.80%0.00430%0.296CS..Hα-helixtrans-63.3-35.5176.5-72.6-95.1000111.3D132 E136 R376 I379 E380 P387 Y586 E591 M592D132-Y588 PolarHBondContact OD1-N 3.45Å; D132-Y588 PolarHBondContact OD2-N 3.15Å; E136-Y588 VanDerWaalsContact CA-CD2 3.46Å; E136-Y588 HydrophobicContact CB-CD2 3.56Å; E136-Y588 HydrophobicContact CB-CE2 3.47Å; E136-Y588 VanDerWaalsContact CB-CE2 3.47Å; E136-Y588 HydrophobicContact CB-CG 4.36Å; E136-Y588 HydrophobicContact CG-CD2 4.07Å; E136-Y588 HydrophobicContact CG-CE2 3.42Å; E136-Y588 VanDerWaalsContact CG-CE2 3.42Å; R376-Y588 HydrophobicContact CB-CD1 4.38Å; R376-Y588 HydrophobicContact CB-CE1 4.01Å; R376-Y588 HydrophobicContact CG-CD1 3.83Å; R376-Y588 HydrophobicContact CG-CE1 3.81Å; I379-Y588 HydrophobicContact CB-CD1 4.42Å; I379-Y588 HydrophobicContact CD1-CD1 4.14Å; I379-Y588 HydrophobicContact CG2-CD1 4.12Å; I379-Y588 HydrophobicContact CG2-CE1 4.23Å; E380-Y588 HydrophobicContact CG-CE1 4.05Å; E380-Y588 VanDerWaalsContact CG-OH 3.29Å; E380-Y588 WeakPolarHBondContact CG-OH 3.48Å; E380-Y588 WeakPolarHBondContact OE1-CE1 3.25Å; E380-Y588 PolarHBondContact OE1-OH 2.72Å; P387-Y588 HydrophobicContact CG-CD2 4.37Å; P387-Y588 HydrophobicContact CG-CE2 3.9Å; Y586-Y588 HydrophobicContact CE2-CD2 4.15Å; Y586-Y588 HydrophobicContact CE2-CE2 4.11Å; Y586-Y588 HydrophobicContact CE2-CG 4.41Å; Y588-E591 PolarHBondContact O-N 3.38Å; Y588-M592 HydrophobicContact CD1-CE 4.34Å; Y588-M592 WeakPolarHBondContact O-CB 3.46Å; Y588-M592 WeakPolarHBondContact O-CG 3.4Å; Y588-M592 PolarHBondContact O-N 2.86Å
589K95.4Very high93.7Very high54 Ų5458.2 Ų58.224%0.23528%0.282CS..Hα-helixtrans-59.1-47.2177.3-175.5178.8-172.7174.60112.7S129 D132 F135 T587 K593S129-K589 PolarHBondContact O-NZ 2.91Å; S129-K589 VanDerWaalsContact O-NZ 3.15Å; D132-K589 WeakPolarHBondContact OD1-CB 3.35Å; D132-K589 PolarHBondContact OD1-N 2.83Å; F135-K589 HydrophobicContact CB-CB 4.48Å; F135-K589 HydrophobicContact CD1-CB 4.18Å; F135-K589 HydrophobicContact CD1-CG 4.49Å; F135-K589 HydrophobicContact CD2-CB 3.85Å; F135-K589 HydrophobicContact CD2-CD 4.23Å; F135-K589 HydrophobicContact CD2-CG 4.19Å; F135-K589 HydrophobicContact CE1-CB 4.43Å; F135-K589 HydrophobicContact CE1-CG 4.24Å; F135-K589 HydrophobicContact CE2-CB 4.12Å; F135-K589 HydrophobicContact CE2-CD 3.81Å; F135-K589 HydrophobicContact CE2-CG 3.92Å; F135-K589 HydrophobicContact CG-CB 3.9Å; F135-K589 HydrophobicContact CG-CG 4.47Å; F135-K589 HydrophobicContact CZ-CB 4.4Å; F135-K589 HydrophobicContact CZ-CD 4.21Å; F135-K589 HydrophobicContact CZ-CG 3.95Å; T587-K589 VanDerWaalsContact C-N 3.28Å; T587-K589 PolarHBondContact O-N 3.46Å; K589-K593 WeakPolarHBondContact O-CD 3.42Å; K589-K593 VanDerWaalsContact O-CG 3.26Å; K589-K593 WeakPolarHBondContact O-CG 3.44Å; K589-K593 PolarHBondContact O-N 3.29Å; K589-K593 VanDerWaalsContact O-N 3.14Å
590E95.9Very high93.5Very high94 Ų9456.9 Ų56.944%0.43928%0.281SS..Hα-helixtrans-75.4-38.5178.1-59.4-43.1123.600112.2T587 K593 R594T587-E590 PolarHBondContact O-N 2.96Å; T587-E590 WeakPolarHBondContact OG1-CG 3.43Å; T587-E590 PolarHBondContact OG1-N 3.11Å; E590-K593 WeakPolarHBondContact O-CB 3.48Å; E590-K593 PolarHBondContact O-N 3.39Å; E590-K593 IonicContact OE1-NZ 3.78Å; E590-K593 PolarHBondContact OE1-NZ 3.41Å; E590-K593 WeakPolarHBondContact OE2-CD 3.16Å; E590-K593 IonicContact OE2-NZ 2.62Å; E590-K593 PolarHBondContact OE2-NZ 2.92Å; E590-R594 WeakPolarHBondContact O-CB 3.33Å; E590-R594 PolarHBondContact O-N 2.93Å
591E96.8Very high93.1Very high20 Ų2059.2 Ų59.29%0.09329%0.29CS..Hα-helixtrans-64.8-41.3175.5-75.2-67.689.200112.8I379 H383 Y586 T587 Y588 R594 I595I379-E591 HydrophobicContact CD1-CB 3.64Å; I379-E591 HydrophobicContact CG1-CB 3.86Å; I379-E591 HydrophobicContact CG2-CB 4.06Å; I379-E591 HydrophobicContact CG2-CG 4.2Å; H383-E591 IonicContact CD2-OE2 3.37Å; H383-E591 IonicContact CE1-OE2 3.46Å; H383-E591 IonicContact NE2-OE2 3.52Å; H383-E591 PolarHBondContact NE2-OE2 2.64Å; Y586-E591 HydrophobicContact CD2-CG 3.99Å; T587-E591 WeakPolarHBondContact O-CB 3.48Å; T587-E591 WeakPolarHBondContact O-CG 3.39Å; T587-E591 PolarHBondContact O-N 3.42Å; Y588-E591 PolarHBondContact O-N 3.38Å; E591-R594 VanDerWaalsContact CD-NH2 3.29Å; E591-R594 PolarHBondContact O-N 3.47Å; E591-R594 IonicContact OE1-CZ 2.73Å; E591-R594 VanDerWaalsContact OE1-CZ 3.26Å; E591-R594 IonicContact OE1-NE 3.54Å; E591-R594 PolarHBondContact OE1-NE 3.04Å; E591-R594 IonicContact OE1-NH2 3.11Å; E591-R594 PolarHBondContact OE1-NH2 2.99Å; E591-R594 IonicContact OE2-CZ 3.24Å; E591-R594 IonicContact OE2-NE 2.71Å; E591-R594 IonicContact OE2-NH2 3.74Å; E591-R594 PolarHBondContact OE2-NH2 2.91Å; E591-I595 WeakPolarHBondContact O-CG1 3.47Å; E591-I595 PolarHBondContact O-N 3.25Å
592M95Very high92.5Very high0 Ų055 Ų550%028%0.276CS..Hα-helixtrans-62.3-44.5173.1-74.6-176.9-172.100111.1F135 R372 L375 R376 I379 Y588 L596 I611F135-M592 HydrophobicContact CD1-SD 3.99Å; F135-M592 WeakPolarHBondContact O-CE 3.33Å; R372-M592 HydrophobicContact CB-CE 4.06Å; R372-M592 HydrophobicContact CB-SD 4.13Å; R372-M592 HydrophobicContact CG-CE 4.38Å; R372-M592 HydrophobicContact CG-SD 3.79Å; R372-M592 WeakPolarHBondContact O-CE 3.26Å; L375-M592 HydrophobicContact CB-CE 4.29Å; L375-M592 HydrophobicContact CB-CG 3.92Å; L375-M592 HydrophobicContact CD1-CB 4.09Å; L375-M592 HydrophobicContact CD1-CG 3.89Å; L375-M592 HydrophobicContact CD1-SD 4.44Å; R376-M592 HydrophobicContact CG-CE 3.62Å; I379-M592 HydrophobicContact CD1-CG 3.69Å; Y588-M592 HydrophobicContact CD1-CE 4.34Å; Y588-M592 WeakPolarHBondContact O-CB 3.46Å; Y588-M592 WeakPolarHBondContact O-CG 3.4Å; Y588-M592 PolarHBondContact O-N 2.86Å; M592-L596 VanDerWaalsContact O-CB 3.28Å; M592-L596 WeakPolarHBondContact O-CB 3.44Å; M592-L596 VanDerWaalsContact O-CD1 3.27Å; M592-L596 WeakPolarHBondContact O-CD1 3.46Å; M592-L596 WeakPolarHBondContact O-CG 3.07Å; M592-L596 PolarHBondContact O-N 3.46Å; M592-I611 HydrophobicContact CB-CD1 3.81Å
593K95.1Very high91.8Very high68 Ų6855.6 Ų55.630%0.29629%0.289SS..Hα-helixtrans-57.3-51174.1-77.4162.9170.6177.40110.7K589 E590 I595 L596 S597 I611K589-K593 WeakPolarHBondContact O-CD 3.42Å; K589-K593 VanDerWaalsContact O-CG 3.26Å; K589-K593 WeakPolarHBondContact O-CG 3.44Å; K589-K593 PolarHBondContact O-N 3.29Å; K589-K593 VanDerWaalsContact O-N 3.14Å; E590-K593 WeakPolarHBondContact O-CB 3.48Å; E590-K593 PolarHBondContact O-N 3.39Å; E590-K593 IonicContact OE1-NZ 3.78Å; E590-K593 PolarHBondContact OE1-NZ 3.41Å; E590-K593 WeakPolarHBondContact OE2-CD 3.16Å; E590-K593 IonicContact OE2-NZ 2.62Å; E590-K593 PolarHBondContact OE2-NZ 2.92Å; K593-I595 PolarHBondContact O-N 2.82Å; K593-L596 CarbonylContact O-C 3.57Å; K593-L596 PolarHBondContact O-N 2.97Å; K593-L596 VanDerWaalsContact O-N 3.11Å; K593-S597 WeakPolarHBondContact O-CB 3.28Å; K593-S597 PolarHBondContact O-N 3.42Å; K593-S597 PolarHBondContact O-OG 3.3Å; K593-I611 HydrophobicContact CG-CD1 4.16Å; K593-I611 HydrophobicContact CG-CG1 4.24Å
594R94.3Very high91.4Very high92 Ų9260.7 Ų60.735%0.34730%0.303SS..Hα-helixtrans-54-52.3-179.3-171.9169.869.5106.4-4.6111.6E590 E591 L596 S597 E598E590-R594 WeakPolarHBondContact O-CB 3.33Å; E590-R594 PolarHBondContact O-N 2.93Å; E591-R594 VanDerWaalsContact CD-NH2 3.29Å; E591-R594 PolarHBondContact O-N 3.47Å; E591-R594 IonicContact OE1-CZ 2.73Å; E591-R594 VanDerWaalsContact OE1-CZ 3.26Å; E591-R594 IonicContact OE1-NE 3.54Å; E591-R594 PolarHBondContact OE1-NE 3.04Å; E591-R594 IonicContact OE1-NH2 3.11Å; E591-R594 PolarHBondContact OE1-NH2 2.99Å; E591-R594 IonicContact OE2-CZ 3.24Å; E591-R594 IonicContact OE2-NE 2.71Å; E591-R594 IonicContact OE2-NH2 3.74Å; E591-R594 PolarHBondContact OE2-NH2 2.91Å; R594-L596 PolarHBondContact O-N 3.32Å; R594-S597 PolarHBondContact O-N 3.35Å; R594-E598 WeakPolarHBondContact CG-OE2 3.47Å; R594-E598 WeakPolarHBondContact O-CB 3.25Å; R594-E598 PolarHBondContact O-N 2.8Å
595I88.9Confident90.7Very high3 Ų362.4 Ų62.42%0.01531%0.314CS..Iπ-helixtrans-60-45.5176.6-63.3163.1000110.9L375 V378 I379 E591 K593 E599 L600L375-I595 HydrophobicContact CD2-CB 4.09Å; L375-I595 HydrophobicContact CD2-CD1 4.19Å; L375-I595 HydrophobicContact CD2-CG2 3.54Å; V378-I595 HydrophobicContact CG1-CD1 4.26Å; I379-I595 HydrophobicContact CD1-CD1 4.14Å; I379-I595 HydrophobicContact CG1-CD1 3.64Å; E591-I595 WeakPolarHBondContact O-CG1 3.47Å; E591-I595 PolarHBondContact O-N 3.25Å; K593-I595 PolarHBondContact O-N 2.82Å; I595-E599 WeakPolarHBondContact CG1-OE1 3.46Å; I595-E599 WeakPolarHBondContact O-CB 3.32Å; I595-E599 PolarHBondContact O-N 3.49Å; I595-L600 HydrophobicContact CG2-CD1 4.05Å; I595-L600 HydrophobicContact CG2-CG 4.19Å; I595-L600 WeakPolarHBondContact O-CB 3.43Å; I595-L600 WeakPolarHBondContact O-CG 3.48Å; I595-L600 PolarHBondContact O-N 2.86Å
596L88Confident89.9Confident1 Ų159.5 Ų59.51%0.00529%0.292CS..Iπ-helixtrans-67.3-36.4-178.7-68.2164.8000113I371 L375 M592 K593 R594 L600 R601 L602 I607 V610 I611I371-L596 HydrophobicContact CG2-CD2 4.4Å; L375-L596 HydrophobicContact CD1-CD1 4.04Å; L375-L596 HydrophobicContact CD1-CD2 4.02Å; L375-L596 HydrophobicContact CD1-CG 3.94Å; M592-L596 VanDerWaalsContact O-CB 3.28Å; M592-L596 WeakPolarHBondContact O-CB 3.44Å; M592-L596 VanDerWaalsContact O-CD1 3.27Å; M592-L596 WeakPolarHBondContact O-CD1 3.46Å; M592-L596 WeakPolarHBondContact O-CG 3.07Å; M592-L596 PolarHBondContact O-N 3.46Å; K593-L596 CarbonylContact O-C 3.57Å; K593-L596 PolarHBondContact O-N 2.97Å; K593-L596 VanDerWaalsContact O-N 3.11Å; R594-L596 PolarHBondContact O-N 3.32Å; L596-L600 HydrophobicContact CD2-CD1 4.36Å; L596-R601 PolarHBondContact O-N 3.37Å; L596-L602 HydrophobicContact CB-CD1 4.41Å; L596-L602 HydrophobicContact CD2-CD1 3.51Å; L596-L602 WeakPolarHBondContact O-CB 3.14Å; L596-L602 WeakPolarHBondContact O-CG 3.38Å; L596-L602 PolarHBondContact O-N 2.79Å; L596-I607 HydrophobicContact CB-CD1 4.02Å; L596-I607 HydrophobicContact CB-CG1 4Å; L596-I607 HydrophobicContact CB-CG2 4.19Å; L596-I607 HydrophobicContact CD1-CG2 4.15Å; L596-V610 HydrophobicContact CD1-CB 4.08Å; L596-V610 HydrophobicContact CD1-CG1 3.8Å; L596-V610 HydrophobicContact CD2-CG1 4.49Å; L596-I611 HydrophobicContact CD1-CD1 4.19Å; L596-I611 HydrophobicContact CD1-CG1 4.25Å
597S90.5Very high89.4Confident54 Ų5459.5 Ų59.538%0.37829%0.294SS..Iπ-helixtrans-94.5-35.9-174.657.40000115.3K593 R594 R601K593-S597 WeakPolarHBondContact O-CB 3.28Å; K593-S597 PolarHBondContact O-N 3.42Å; K593-S597 PolarHBondContact O-OG 3.3Å; R594-S597 PolarHBondContact O-N 3.35Å; S597-R601 WeakPolarHBondContact O-CA 3.27Å
598E91Very high88.9Confident125 Ų12566.2 Ų66.258%0.58431%0.314SS*.Iπ-helixtrans-101-45.3-171.3-63.9171.9-158.300111.6R594 R601R594-E598 WeakPolarHBondContact CG-OE2 3.47Å; R594-E598 WeakPolarHBondContact O-CB 3.25Å; R594-E598 PolarHBondContact O-N 2.8Å; E598-R601 WeakPolarHBondContact O-CG 3.33Å
599E86.4Confident88.3Confident70 Ų7067.3 Ų67.333%0.32732%0.322SS..Iπ-helixtrans-83.2-54.2-178.7-58.3177.6-142.400111.6R382 I595R382-E599 IonicContact CZ-OE1 2.71Å; R382-E599 IonicContact CZ-OE2 2.57Å; R382-E599 IonicContact NH1-OE1 2.8Å; R382-E599 PolarHBondContact NH1-OE1 2.62Å; R382-E599 IonicContact NH1-OE2 3.56Å; R382-E599 PolarHBondContact NH1-OE2 3Å; R382-E599 IonicContact NH2-OE1 3.47Å; R382-E599 PolarHBondContact NH2-OE1 3.15Å; R382-E599 IonicContact NH2-OE2 2.78Å; R382-E599 PolarHBondContact NH2-OE2 3.38Å; I595-E599 WeakPolarHBondContact CG1-OE1 3.46Å; I595-E599 WeakPolarHBondContact O-CB 3.32Å; I595-E599 PolarHBondContact O-N 3.49Å
600L81.9Confident87.8Confident63 Ų6364.8 Ų64.833%0.3331%0.311SS..SBendtrans-86.1-11-179.8-59.9178.3000113.3I595 L596 L602I595-L600 HydrophobicContact CG2-CD1 4.05Å; I595-L600 HydrophobicContact CG2-CG 4.19Å; I595-L600 WeakPolarHBondContact O-CB 3.43Å; I595-L600 WeakPolarHBondContact O-CG 3.48Å; I595-L600 PolarHBondContact O-N 2.86Å; L596-L600 HydrophobicContact CD2-CD1 4.36Å; L600-L602 HydrophobicContact CB-CD1 4.11Å; L600-L602 HydrophobicContact CB-CD2 4.32Å; L600-L602 HydrophobicContact CB-CG 3.81Å; L600-L602 HydrophobicContact CD1-CD1 4.34Å; L600-L602 PolarHBondContact O-N 2.91Å; L600-L602 VanDerWaalsContact O-N 3.15Å
601R85.1Confident87.6Confident185 Ų18561.5 Ų61.570%0.69830%0.296SS*.  trans50.738.2174.8-59.4-175.9178.6-176.9-0.6114.5L596 S597 E598L596-R601 PolarHBondContact O-N 3.37Å; S597-R601 WeakPolarHBondContact O-CA 3.27Å; E598-R601 WeakPolarHBondContact O-CG 3.33Å
602L81.8Confident86.9Confident26 Ų2665.1 Ų65.114%0.13632%0.32CS..  trans-76.2148.9-175.1-59177.9000112.2F451 L596 L600 L606 I607F451-L602 HydrophobicContact CD2-CD2 4.43Å; F451-L602 HydrophobicContact CE2-CD1 4.18Å; F451-L602 HydrophobicContact CE2-CD2 3.64Å; F451-L602 HydrophobicContact CZ-CD1 3.98Å; F451-L602 HydrophobicContact CZ-CD2 4.26Å; L596-L602 HydrophobicContact CB-CD1 4.41Å; L596-L602 HydrophobicContact CD2-CD1 3.51Å; L596-L602 WeakPolarHBondContact O-CB 3.14Å; L596-L602 WeakPolarHBondContact O-CG 3.38Å; L596-L602 PolarHBondContact O-N 2.79Å; L600-L602 HydrophobicContact CB-CD1 4.11Å; L600-L602 HydrophobicContact CB-CD2 4.32Å; L600-L602 HydrophobicContact CB-CG 3.81Å; L600-L602 HydrophobicContact CD1-CD1 4.34Å; L600-L602 PolarHBondContact O-N 2.91Å; L600-L602 VanDerWaalsContact O-N 3.15Å; L602-L606 HydrophobicContact CB-CD2 4.17Å; L602-L606 HydrophobicContact CD1-CD2 3.9Å; L602-L606 HydrophobicContact CD2-CD2 4.08Å; L602-L606 HydrophobicContact CG-CD2 4.27Å; L602-I607 HydrophobicContact CB-CD1 4.35Å; L602-I607 HydrophobicContact CB-CG1 3.98Å; L602-I607 WeakPolarHBondContact O-CD1 3.48Å
603G81.3Confident85.8Confident48 Ų4867.7 Ų67.750%0.49533%0.333SS..  trans-66139.7177.400000112.5P605 L606 I607G603-P605 VanDerWaalsContact C-N 3.29Å; G603-P605 WeakPolarHBondContact O-CD 3.18Å; G603-L606 PolarHBondContact O-N 3.43Å; G603-I607 PolarHBondContact O-N 3.2Å
604K86.7Confident85.3Confident185 Ų18567.7 Ų67.780%0.80434%0.335SS*.Hα-helixtrans-42.3-40.8179.7-65.9-176.1178.3-177.80115.5L606 I607 R608K604-L606 VanDerWaalsContact C-N 3.34Å; K604-L606 PolarHBondContact O-N 3.36Å; K604-I607 PolarHBondContact O-N 2.95Å; K604-R608 WeakPolarHBondContact O-CB 3.2Å; K604-R608 PolarHBondContact O-N 3.5Å
605P82.4Confident84.8Confident84 Ų8466.4 Ų66.455%0.54534%0.335SS..Hα-helixtrans-62-37.8178.1-2435.4000113.7G603 S609G603-P605 VanDerWaalsContact C-N 3.29Å; G603-P605 WeakPolarHBondContact O-CD 3.18Å; P605-S609 PolarHBondContact O-N 2.88Å; P605-S609 PolarHBondContact O-OG 2.89Å
606L79.2Confident84.6Confident13 Ų1369.9 Ų69.97%0.06835%0.352CS..Hα-helixtrans-74.7-42.7179.517763.9000111.3M448 F451 L602 G603 K604 R608 S609 V610M448-L606 HydrophobicContact CE-CD1 3.9Å; M448-L606 HydrophobicContact SD-CD1 3.99Å; F451-L606 HydrophobicContact CB-CD1 3.97Å; F451-L606 HydrophobicContact CB-CD2 3.9Å; F451-L606 HydrophobicContact CD1-CD1 3.65Å; F451-L606 HydrophobicContact CD1-CD2 3.66Å; F451-L606 HydrophobicContact CD1-CG 4.23Å; F451-L606 HydrophobicContact CD2-CD2 3.21Å; F451-L606 HydrophobicContact CD2-CG 4.49Å; F451-L606 HydrophobicContact CE1-CD1 4.26Å; F451-L606 HydrophobicContact CE1-CD2 3.9Å; F451-L606 HydrophobicContact CE2-CD2 3.49Å; F451-L606 VanDerWaalsContact CE2-CD2 3.49Å; F451-L606 HydrophobicContact CG-CD1 3.81Å; F451-L606 HydrophobicContact CG-CD2 3.28Å; F451-L606 HydrophobicContact CG-CG 4.19Å; F451-L606 HydrophobicContact CZ-CD2 3.81Å; L602-L606 HydrophobicContact CB-CD2 4.17Å; L602-L606 HydrophobicContact CD1-CD2 3.9Å; L602-L606 HydrophobicContact CD2-CD2 4.08Å; L602-L606 HydrophobicContact CG-CD2 4.27Å; G603-L606 PolarHBondContact O-N 3.43Å; K604-L606 VanDerWaalsContact C-N 3.34Å; K604-L606 PolarHBondContact O-N 3.36Å; L606-R608 VanDerWaalsContact C-N 3.27Å; L606-R608 PolarHBondContact O-N 2.97Å; L606-S609 WeakPolarHBondContact O-CB 3.42Å; L606-S609 PolarHBondContact O-N 3.09Å; L606-V610 HydrophobicContact CD1-CG2 4.41Å; L606-V610 WeakPolarHBondContact O-CG2 3.22Å; L606-V610 PolarHBondContact O-N 2.94Å
607I87.1Confident84.4Confident22 Ų2273.9 Ų73.911%0.11337%0.373CS..Hα-helixtrans-56.8-46.1172.9-53.9-169.3000109.6L596 L602 G603 K604 S609 V610 I611L596-I607 HydrophobicContact CB-CD1 4.02Å; L596-I607 HydrophobicContact CB-CG1 4Å; L596-I607 HydrophobicContact CB-CG2 4.19Å; L596-I607 HydrophobicContact CD1-CG2 4.15Å; L602-I607 HydrophobicContact CB-CD1 4.35Å; L602-I607 HydrophobicContact CB-CG1 3.98Å; L602-I607 WeakPolarHBondContact O-CD1 3.48Å; G603-I607 PolarHBondContact O-N 3.2Å; K604-I607 PolarHBondContact O-N 2.95Å; I607-S609 VanDerWaalsContact C-N 3.32Å; I607-S609 PolarHBondContact O-N 2.73Å; I607-V610 PolarHBondContact O-N 3.39Å; I607-I611 HydrophobicContact CG2-CG1 4.1Å; I607-I611 WeakPolarHBondContact O-CB 3.32Å; I607-I611 VanDerWaalsContact O-CG1 3.25Å; I607-I611 WeakPolarHBondContact O-CG1 3.49Å; I607-I611 PolarHBondContact O-N 3.42Å
608R88.1Confident84Confident183 Ų18375.2 Ų75.269%0.69137%0.373SS*.Hα-helixtrans-57.1-44.2173.9-175.2178.91801780.4111.6K604 L606 I611 T612K604-R608 WeakPolarHBondContact O-CB 3.2Å; K604-R608 PolarHBondContact O-N 3.5Å; L606-R608 VanDerWaalsContact C-N 3.27Å; L606-R608 PolarHBondContact O-N 2.97Å; R608-I611 PolarHBondContact O-N 3Å; R608-T612 WeakPolarHBondContact O-CB 3.35Å; R608-T612 PolarHBondContact O-N 3.17Å; R608-T612 PolarHBondContact O-OG1 3.09Å
609S83.3Confident83.6Confident24 Ų2471.9 Ų71.917%0.16836%0.358CS..Hα-helixtrans-63.4-43.9179.2-540000112E364 P605 L606 I607 L613E364-S609 PolarHBondContact OE1-OG 3.01Å; P605-S609 PolarHBondContact O-N 2.88Å; P605-S609 PolarHBondContact O-OG 2.89Å; L606-S609 WeakPolarHBondContact O-CB 3.42Å; L606-S609 PolarHBondContact O-N 3.09Å; I607-S609 VanDerWaalsContact C-N 3.32Å; I607-S609 PolarHBondContact O-N 2.73Å; S609-L613 VanDerWaalsContact O-CB 3.23Å; S609-L613 WeakPolarHBondContact O-CB 3.37Å; S609-L613 WeakPolarHBondContact O-CD1 3.01Å; S609-L613 VanDerWaalsContact O-CG 3.26Å; S609-L613 WeakPolarHBondContact O-CG 3.15Å; S609-L613 PolarHBondContact O-N 3.25Å
610V86.2Confident83.4Confident0 Ų072 Ų720%036%0.361CS..Hα-helixtrans-66.8-38.7177.5176.80000112.3I371 R372 L596 L606 I607I371-V610 HydrophobicContact CB-CG1 4.19Å; I371-V610 HydrophobicContact CB-CG2 4.43Å; I371-V610 HydrophobicContact CD1-CG2 3.83Å; I371-V610 HydrophobicContact CG2-CG1 3.67Å; I371-V610 HydrophobicContact CG2-CG2 4.08Å; R372-V610 WeakPolarHBondContact CD-O 3.37Å; R372-V610 HydrophobicContact CG-CG1 3.86Å; R372-V610 PolarHBondContact NE-O 2.83Å; L596-V610 HydrophobicContact CD1-CB 4.08Å; L596-V610 HydrophobicContact CD1-CG1 3.8Å; L596-V610 HydrophobicContact CD2-CG1 4.49Å; L606-V610 HydrophobicContact CD1-CG2 4.41Å; L606-V610 WeakPolarHBondContact O-CG2 3.22Å; L606-V610 PolarHBondContact O-N 2.94Å; I607-V610 PolarHBondContact O-N 3.39Å
611I90.1Very high83.5Confident25 Ų2572.7 Ų72.713%0.12836%0.363CS..Hα-helixtrans-81.9-26.7-176.7-64.9-65.6000112.8F135 M592 K593 L596 I607 R608F135-I611 HydrophobicContact CD1-CD1 4.44Å; F135-I611 HydrophobicContact CE1-CB 4.34Å; F135-I611 HydrophobicContact CE1-CD1 3.94Å; F135-I611 HydrophobicContact CE1-CG2 3.83Å; F135-I611 WeakPolarHBondContact CE1-O 3.35Å; F135-I611 HydrophobicContact CZ-CG2 3.9Å; F135-I611 VanDerWaalsContact CZ-O 3.24Å; F135-I611 WeakPolarHBondContact CZ-O 3.39Å; M592-I611 HydrophobicContact CB-CD1 3.81Å; K593-I611 HydrophobicContact CG-CD1 4.16Å; K593-I611 HydrophobicContact CG-CG1 4.24Å; L596-I611 HydrophobicContact CD1-CD1 4.19Å; L596-I611 HydrophobicContact CD1-CG1 4.25Å; I607-I611 HydrophobicContact CG2-CG1 4.1Å; I607-I611 WeakPolarHBondContact O-CB 3.32Å; I607-I611 VanDerWaalsContact O-CG1 3.25Å; I607-I611 WeakPolarHBondContact O-CG1 3.49Å; I607-I611 PolarHBondContact O-N 3.42Å; R608-I611 PolarHBondContact O-N 3Å
612T83.3Confident83.3Confident97 Ų9763.3 Ų63.360%0.59534%0.335SS*.Hα-helixtrans-99.2-18.7-173.5-43.10000114R608R608-T612 WeakPolarHBondContact O-CB 3.35Å; R608-T612 PolarHBondContact O-N 3.17Å; R608-T612 PolarHBondContact O-OG1 3.09Å
613L70.4Confident83.5Confident53 Ų5366.7 Ų66.728%0.27735%0.353SS..  trans-107.80-172.3-58.8175.7000112.9E364 K365 A368 R372 S609E364-L613 HydrophobicContact CG-CD1 3.57Å; K365-L613 HydrophobicContact CB-CB 4.31Å; K365-L613 WeakPolarHBondContact CE-O 3.42Å; K365-L613 HydrophobicContact CG-CB 4.05Å; A368-L613 HydrophobicContact CB-CB 3.92Å; R372-L613 PolarHBondContact NE-OXT 3.38Å; R372-L613 VanDerWaalsContact NH2-C 3.3Å; R372-L613 PolarHBondContact NH2-O 2.87Å; R372-L613 PolarHBondContact NH2-OXT 3.18Å; S609-L613 VanDerWaalsContact O-CB 3.23Å; S609-L613 WeakPolarHBondContact O-CB 3.37Å; S609-L613 WeakPolarHBondContact O-CD1 3.01Å; S609-L613 VanDerWaalsContact O-CG 3.26Å; S609-L613 WeakPolarHBondContact O-CG 3.15Å; S609-L613 PolarHBondContact O-N 3.25Å

Retrieved 613 of 613 residues in 1007.6 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).