G4M183_SCHMA Loading...

Proteasome subunit alpha type

The proteasome is a multicatalytic proteinase complex which is characterized by its ability to cleave peptides with Arg, Phe, Tyr, Leu, and Glu adjacent to the leaving group at neutral or slightly basic pH. The proteasome has an ATP-dependent proteolytic activity.

AlphaFold DB , UniProt , Accession G4M183, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 247 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
1M59.4Low79.6Confident201 Ų201104 Ų10499%0.9949%0.488SS*.  0-41.50-93.5167.4178.400113.5R3 R4 Y5M1-R3 PolarHBondContact O-N 3.47Å; M1-R4 PolarHBondContact O-N 3.2Å; M1-Y5 WeakPolarHBondContact O-CD2 3.39Å
2A70.3Confident80.8Confident53 Ų53106.8 Ų106.844%0.43850%0.498SS..THydrogen-bonded Turntrans-51.8-46.4-176.400000115.8R4 Y5 D6A2-R4 PolarHBondContact O-N 2.7Å; A2-Y5 PolarHBondContact O-N 3.49Å; A2-D6 PolarHBondContact O-N 3.48Å
3R74.5Confident81.7Confident224 Ų22499.2 Ų99.285%0.84546%0.463SS*.Hα-helixtrans-53.2-26.7-178.3-80.8-171.2-95.8-179-6.1115.4M1M1-R3 PolarHBondContact O-N 3.47Å
4R75.5Confident82.6Confident178 Ų17898.8 Ų98.867%0.67247%0.474SS*.Hα-helixtrans-73.6-29.5-179-170.3178.9-179.4-175.40.8112.7M1 A2M1-R4 PolarHBondContact O-N 3.2Å; A2-R4 PolarHBondContact O-N 2.7Å
5Y77.9Confident83.4Confident57 Ų57100.8 Ų100.822%0.22448%0.482CS..Hα-helixtrans-91.9-24-176.8-56-80.8000112.3M1 A2 R8 I11 F12 P14M1-Y5 WeakPolarHBondContact O-CD2 3.39Å; A2-Y5 PolarHBondContact O-N 3.49Å; Y5-R8 VanDerWaalsContact O-O 3.11Å; Y5-I11 HydrophobicContact CD1-CD1 3.74Å; Y5-I11 HydrophobicContact CD1-CG1 4.28Å; Y5-F12 WeakPolarHBondContact CD1-O 3.33Å; Y5-P14 HydrophobicContact CD2-CG 4.42Å; Y5-P14 HydrophobicContact CE1-CG 4.35Å; Y5-P14 HydrophobicContact CE2-CG 3.68Å
6D75Confident84.1Confident45 Ų4597.7 Ų97.724%0.24149%0.485CS..Hα-helixtrans-69.1-46-177.6-171.32.7000113A2 R8 Q20 Y23A2-D6 PolarHBondContact O-N 3.48Å; D6-R8 PolarHBondContact O-N 3.11Å; D6-R8 VanDerWaalsContact O-N 3.13Å; D6-Q20 PolarHBondContact O-NE2 3.31Å; D6-Q20 PolarHBondContact OD1-NE2 3.01Å; D6-Y23 VanDerWaalsContact OD1-CE2 3.3Å; D6-Y23 WeakPolarHBondContact OD1-CE2 3.3Å
7T79.5Confident84.7Confident117 Ų11798.1 Ų98.172%0.71848%0.48SS*.THydrogen-bonded Turntrans-72.7-8.5-177.163.80000113.8
8R87Confident85.3Confident152 Ų15294.7 Ų94.757%0.57446%0.464SS*.SBendtrans-110.696.6177-71.1-178179.1-166.5-0.8107.5Y5 D6 T10 I11Y5-R8 VanDerWaalsContact O-O 3.11Å; D6-R8 PolarHBondContact O-N 3.11Å; D6-R8 VanDerWaalsContact O-N 3.13Å; R8-T10 VanDerWaalsContact C-N 3.25Å; R8-T10 PolarHBondContact O-N 3.4Å; R8-T10 VanDerWaalsContact O-N 3.12Å; R8-I11 HydrophobicContact CB-CD1 3.61Å; R8-I11 HydrophobicContact CB-CG1 3.74Å; R8-I11 HydrophobicContact CB-CG2 4.06Å; R8-I11 HydrophobicContact CG-CD1 4.27Å; R8-I11 WeakPolarHBondContact O-CG1 2.79Å; R8-I11 PolarHBondContact O-N 3.16Å
9T90.7Very high85.8Confident25 Ų2591.4 Ų91.415%0.15345%0.446CS..THydrogen-bonded Turntrans-66.5-23.3-160.860.40000115.5Q20 G126 R127T9-Q20 HydrophobicContact CG2-CG 3.98Å; T9-G126 PolarHBondContact OG1-O 2.79Å; T9-R127 WeakPolarHBondContact CB-O 3.49Å; T9-R127 PolarHBondContact OG1-N 2.88Å; T9-R127 PolarHBondContact OG1-O 3.28Å
10T92.7Very high86.3Confident39 Ų3988.9 Ų88.924%0.23943%0.433CS..THydrogen-bonded Turntrans-114.834.9-174.765.20000112.4R8 T122R8-T10 VanDerWaalsContact C-N 3.25Å; R8-T10 PolarHBondContact O-N 3.4Å; R8-T10 VanDerWaalsContact O-N 3.12Å; T10-T122 WeakPolarHBondContact CB-O 3.38Å
11I92.8Very high86.8Confident53 Ų5385.1 Ų85.127%0.27242%0.416SS..  trans-121145.4175.275.1171.3000111.9Y5 R8 L18Y5-I11 HydrophobicContact CD1-CD1 3.74Å; Y5-I11 HydrophobicContact CD1-CG1 4.28Å; R8-I11 HydrophobicContact CB-CD1 3.61Å; R8-I11 HydrophobicContact CB-CG1 3.74Å; R8-I11 HydrophobicContact CB-CG2 4.06Å; R8-I11 HydrophobicContact CG-CD1 4.27Å; R8-I11 WeakPolarHBondContact O-CG1 2.79Å; R8-I11 PolarHBondContact O-N 3.16Å; I11-L18 WeakPolarHBondContact O-CD2 3.46Å
12F94.1Very high88.6Confident138 Ų13878.2 Ų78.261%0.60538%0.381SS*.  trans-69.3142.7173.1-69-73.3000111.7Y5 L18Y5-F12 WeakPolarHBondContact CD1-O 3.33Å; F12-L18 HydrophobicContact CD1-CD2 3.96Å; F12-L18 HydrophobicContact CD1-CG 4.24Å; F12-L18 HydrophobicContact CE1-CD2 4.1Å; F12-L18 HydrophobicContact CE1-CG 4.11Å; F12-L18 HydrophobicContact CG-CD2 4.4Å
13S92.9Very high89.8Confident7 Ų781 Ų815%0.04938%0.381CS..  trans-71166.1162.480.10000111E15 G16 R17 Y19S13-E15 PolarHBondContact O-N 3.5Å; S13-E15 PolarHBondContact OG-N 3.01Å; S13-G16 PolarHBondContact O-N 3.4Å; S13-R17 PolarHBondContact N-O 3.24Å; S13-R17 WeakPolarHBondContact OG-CB 3.45Å; S13-R17 PolarHBondContact OG-N 3.13Å; S13-R17 VanDerWaalsContact OG-N 3.14Å; S13-R17 PolarHBondContact OG-O 3.07Å; S13-Y19 VanDerWaalsContact CB-CE2 3.42Å; S13-Y19 WeakPolarHBondContact CB-OH 3.48Å
14P93.7Very high90.9Very high94 Ų9470.7 Ų70.761%0.6134%0.344SS*.THydrogen-bonded Turntrans-57.3-19.1171.8-25.836.3000114.5Y5Y5-P14 HydrophobicContact CD2-CG 4.42Å; Y5-P14 HydrophobicContact CE1-CG 4.35Å; Y5-P14 HydrophobicContact CE2-CG 3.68Å
15E94.4Very high91.9Very high129 Ų12965.9 Ų65.960%0.60333%0.33SS*.THydrogen-bonded Turntrans-91.72.3178.2-64.4170.3-167.500112.7S13 R17S13-E15 PolarHBondContact O-N 3.5Å; S13-E15 PolarHBondContact OG-N 3.01Å; E15-R17 HydrophobicContact CB-CG 4.16Å; E15-R17 VanDerWaalsContact OE2-CD 3.29Å; E15-R17 WeakPolarHBondContact OE2-CD 3.39Å; E15-R17 IonicContact OE2-CZ 2.93Å; E15-R17 IonicContact OE2-NE 3.61Å; E15-R17 IonicContact OE2-NH1 3.97Å; E15-R17 PolarHBondContact OE2-NH1 3.49Å
16G94.5Very high92.8Very high51 Ų5168.7 Ų68.753%0.52635%0.345SS..SBendtrans7822.9-177.200000114.1S13S13-G16 PolarHBondContact O-N 3.4Å
17R94.8Very high93.9Very high105 Ų10568.5 Ų68.540%0.39635%0.35SS..  trans-108.8154.9-175.6-58.8164.365.7-174.53.9111.7S13 E15 Y19 E22S13-R17 PolarHBondContact N-O 3.24Å; S13-R17 WeakPolarHBondContact OG-CB 3.45Å; S13-R17 PolarHBondContact OG-N 3.13Å; S13-R17 VanDerWaalsContact OG-N 3.14Å; S13-R17 PolarHBondContact OG-O 3.07Å; E15-R17 HydrophobicContact CB-CG 4.16Å; E15-R17 VanDerWaalsContact OE2-CD 3.29Å; E15-R17 WeakPolarHBondContact OE2-CD 3.39Å; E15-R17 IonicContact OE2-CZ 2.93Å; E15-R17 IonicContact OE2-NE 3.61Å; E15-R17 IonicContact OE2-NH1 3.97Å; E15-R17 PolarHBondContact OE2-NH1 3.49Å; R17-Y19 HydrophobicContact CB-CE1 4.48Å; R17-E22 IonicContact CZ-OE1 2.65Å; R17-E22 IonicContact CZ-OE2 3.45Å; R17-E22 IonicContact NE-OE1 3.86Å; R17-E22 PolarHBondContact NE-OE1 3.46Å; R17-E22 IonicContact NE-OE2 2.95Å; R17-E22 PolarHBondContact NE-OE2 3.41Å; R17-E22 IonicContact NH2-OE1 3.21Å; R17-E22 PolarHBondContact NH2-OE1 2.91Å; R17-E22 IonicContact NH2-OE2 3.33Å; R17-E22 PolarHBondContact NH2-OE2 2.66Å
18L95.6Very high94.7Very high37 Ų3763.3 Ų63.319%0.19432%0.318CS..  trans-105.995.3172.9-68177.5000109.9I11 F12 Q20 V21 E22I11-L18 WeakPolarHBondContact O-CD2 3.46Å; F12-L18 HydrophobicContact CD1-CD2 3.96Å; F12-L18 HydrophobicContact CD1-CG 4.24Å; F12-L18 HydrophobicContact CE1-CD2 4.1Å; F12-L18 HydrophobicContact CE1-CG 4.11Å; F12-L18 HydrophobicContact CG-CD2 4.4Å; L18-Q20 VanDerWaalsContact C-N 3.29Å; L18-Q20 PolarHBondContact O-N 3.24Å; L18-V21 HydrophobicContact CB-CB 4.09Å; L18-V21 HydrophobicContact CB-CG2 3.87Å; L18-V21 HydrophobicContact CD1-CG2 4.15Å; L18-V21 WeakPolarHBondContact O-CB 3.48Å; L18-V21 PolarHBondContact O-N 3.07Å; L18-E22 PolarHBondContact O-N 3.23Å
19Y94.7Very high95.1Very high31 Ų3157.5 Ų57.512%0.12231%0.305CS..Hα-helixtrans-57.8-37.3-172.4-67-38000114S13 R17 V21 E22 Y23S13-Y19 VanDerWaalsContact CB-CE2 3.42Å; S13-Y19 WeakPolarHBondContact CB-OH 3.48Å; R17-Y19 HydrophobicContact CB-CE1 4.48Å; Y19-V21 VanDerWaalsContact C-N 3.28Å; Y19-V21 PolarHBondContact O-N 2.85Å; Y19-E22 PolarHBondContact O-N 2.97Å; Y19-Y23 WeakPolarHBondContact O-CD1 3.11Å; Y19-Y23 WeakPolarHBondContact O-CD2 3.01Å; Y19-Y23 PolarHBondContact O-N 2.96Å
20Q95.7Very high95.3Very high41 Ų4161.9 Ų61.919%0.19232%0.324CS..Hα-helixtrans-66.3-30.4178.2-74.5-70.8-52.200113.2D6 T9 L18 A24 P129D6-Q20 PolarHBondContact O-NE2 3.31Å; D6-Q20 PolarHBondContact OD1-NE2 3.01Å; T9-Q20 HydrophobicContact CG2-CG 3.98Å; L18-Q20 VanDerWaalsContact C-N 3.29Å; L18-Q20 PolarHBondContact O-N 3.24Å; Q20-A24 WeakPolarHBondContact O-CB 3.5Å; Q20-A24 PolarHBondContact O-N 2.74Å; Q20-A24 VanDerWaalsContact O-N 3.11Å; Q20-P129 HydrophobicContact CB-CG 4.07Å; Q20-P129 WeakPolarHBondContact O-CG 2.85Å
21V96.9Very high95.3Very high11 Ų1160.6 Ų60.67%0.06732%0.317CS..Hα-helixtrans-71.1-41.5174.4175.10000110.1L18 Y19 Y23 A24 M25 T122L18-V21 HydrophobicContact CB-CB 4.09Å; L18-V21 HydrophobicContact CB-CG2 3.87Å; L18-V21 HydrophobicContact CD1-CG2 4.15Å; L18-V21 WeakPolarHBondContact O-CB 3.48Å; L18-V21 PolarHBondContact O-N 3.07Å; Y19-V21 VanDerWaalsContact C-N 3.28Å; Y19-V21 PolarHBondContact O-N 2.85Å; V21-Y23 PolarHBondContact O-N 3.29Å; V21-A24 WeakPolarHBondContact O-CB 3.49Å; V21-A24 PolarHBondContact O-N 3.4Å; V21-M25 HydrophobicContact CG1-CE 4Å; V21-M25 HydrophobicContact CG1-SD 4.44Å; V21-M25 WeakPolarHBondContact O-CG 3.4Å; V21-M25 PolarHBondContact O-N 2.88Å; V21-T122 HydrophobicContact CG2-CG2 3.69Å
22E96.5Very high95.3Very high55 Ų5558.2 Ų58.226%0.25731%0.305SS..Hα-helixtrans-64.8-40.3177.4-62.7-177.9166.400112.3R17 L18 Y19 A24 M25 E26R17-E22 IonicContact CZ-OE1 2.65Å; R17-E22 IonicContact CZ-OE2 3.45Å; R17-E22 IonicContact NE-OE1 3.86Å; R17-E22 PolarHBondContact NE-OE1 3.46Å; R17-E22 IonicContact NE-OE2 2.95Å; R17-E22 PolarHBondContact NE-OE2 3.41Å; R17-E22 IonicContact NH2-OE1 3.21Å; R17-E22 PolarHBondContact NH2-OE1 2.91Å; R17-E22 IonicContact NH2-OE2 3.33Å; R17-E22 PolarHBondContact NH2-OE2 2.66Å; L18-E22 PolarHBondContact O-N 3.23Å; Y19-E22 PolarHBondContact O-N 2.97Å; E22-A24 VanDerWaalsContact C-N 3.3Å; E22-A24 PolarHBondContact O-N 3.48Å; E22-M25 PolarHBondContact O-N 3.17Å; E22-E26 PolarHBondContact O-N 3.3Å
23Y96.7Very high95.4Very high111 Ų11151.7 Ų51.744%0.43528%0.277SS..Hα-helixtrans-65.3-35.5174.2-59.4-19.6000112.1D6 Y19 V21 E26 A27D6-Y23 VanDerWaalsContact OD1-CE2 3.3Å; D6-Y23 WeakPolarHBondContact OD1-CE2 3.3Å; Y19-Y23 WeakPolarHBondContact O-CD1 3.11Å; Y19-Y23 WeakPolarHBondContact O-CD2 3.01Å; Y19-Y23 PolarHBondContact O-N 2.96Å; V21-Y23 PolarHBondContact O-N 3.29Å; Y23-E26 PolarHBondContact O-N 3.25Å; Y23-A27 WeakPolarHBondContact O-CB 3.47Å; Y23-A27 PolarHBondContact O-N 3.46Å
24A97.5Very high95.6Very high9 Ų951.3 Ų51.37%0.07427%0.274CS..Hα-helixtrans-65.9-40.5173.100000111.9Q20 V21 E22 A27 V28 P129 P152Q20-A24 WeakPolarHBondContact O-CB 3.5Å; Q20-A24 PolarHBondContact O-N 2.74Å; Q20-A24 VanDerWaalsContact O-N 3.11Å; V21-A24 WeakPolarHBondContact O-CB 3.49Å; V21-A24 PolarHBondContact O-N 3.4Å; E22-A24 VanDerWaalsContact C-N 3.3Å; E22-A24 PolarHBondContact O-N 3.48Å; A24-A27 WeakPolarHBondContact O-CB 3.44Å; A24-A27 PolarHBondContact O-N 3.06Å; A24-V28 WeakPolarHBondContact O-CG2 3.29Å; A24-V28 PolarHBondContact O-N 3.07Å; A24-P129 HydrophobicContact CB-CG 4.15Å; A24-P152 HydrophobicContact CB-CB 3.61Å; A24-P152 HydrophobicContact CB-CG 3.87Å
25M96.9Very high95.8Very high76 Ų7646.9 Ų46.937%0.37425%0.245SC..Hα-helixtrans-63.4-41.2174.4-71.8176.2171.600112V21 E22 A27 V28 G29 D151 P152V21-M25 HydrophobicContact CG1-CE 4Å; V21-M25 HydrophobicContact CG1-SD 4.44Å; V21-M25 WeakPolarHBondContact O-CG 3.4Å; V21-M25 PolarHBondContact O-N 2.88Å; E22-M25 PolarHBondContact O-N 3.17Å; M25-A27 VanDerWaalsContact C-N 3.34Å; M25-A27 PolarHBondContact O-N 2.8Å; M25-V28 WeakPolarHBondContact O-CB 3.5Å; M25-V28 PolarHBondContact O-N 3.23Å; M25-G29 PolarHBondContact O-N 3.49Å; M25-D151 HydrophobicContact CE-CB 4.13Å; M25-D151 WeakPolarHBondContact CE-OD1 2.91Å; M25-P152 HydrophobicContact CG-CG 4.36Å
26E97.2Very high96Very high116 Ų11640.7 Ų40.754%0.54222%0.217SC..Hα-helixtrans-62.5-42.2174.5-170.163.2-16200111.4E22 Y23 V28 G29 H30E22-E26 PolarHBondContact O-N 3.3Å; Y23-E26 PolarHBondContact O-N 3.25Å; E26-V28 VanDerWaalsContact C-N 3.27Å; E26-V28 PolarHBondContact O-N 3.32Å; E26-G29 WeakPolarHBondContact O-CA 3.31Å; E26-G29 PolarHBondContact O-N 3.32Å; E26-H30 PolarHBondContact O-N 3.05Å; E26-H30 IonicContact OE1-CE1 3.7Å; E26-H30 IonicContact OE1-NE2 3.16Å; E26-H30 PolarHBondContact OE1-NE2 2.63Å
27A97.1Very high96.2Very high41 Ų4138.4 Ų38.434%0.33919%0.192SC..Hα-helixtrans-60.6-36.4174.900000112.4Y23 A24 M25 H30 A31Y23-A27 WeakPolarHBondContact O-CB 3.47Å; Y23-A27 PolarHBondContact O-N 3.46Å; A24-A27 WeakPolarHBondContact O-CB 3.44Å; A24-A27 PolarHBondContact O-N 3.06Å; M25-A27 VanDerWaalsContact C-N 3.34Å; M25-A27 PolarHBondContact O-N 2.8Å; A27-H30 PolarHBondContact O-N 3.47Å; A27-A31 PolarHBondContact O-N 2.94Å
28V97.1Very high96.3Very high8 Ų834.2 Ų34.25%0.04818%0.178CC..Hα-helixtrans-65.8-41.9171.9172.40000111A24 M25 E26 H30 A31 A77 P152 G165A24-V28 WeakPolarHBondContact O-CG2 3.29Å; A24-V28 PolarHBondContact O-N 3.07Å; M25-V28 WeakPolarHBondContact O-CB 3.5Å; M25-V28 PolarHBondContact O-N 3.23Å; E26-V28 VanDerWaalsContact C-N 3.27Å; E26-V28 PolarHBondContact O-N 3.32Å; V28-H30 PolarHBondContact O-N 3.04Å; V28-H30 VanDerWaalsContact O-N 3.14Å; V28-A31 VanDerWaalsContact O-CB 3.28Å; V28-A31 WeakPolarHBondContact O-CB 3.32Å; V28-A31 PolarHBondContact O-N 3Å; V28-A77 HydrophobicContact CG1-CB 4.3Å; V28-P152 HydrophobicContact CG2-CG 4.11Å; V28-G165 WeakPolarHBondContact O-CA 3.21Å
29G95.7Very high96.5Very high30 Ų3032.6 Ų32.631%0.30917%0.17SC..Hα-helixtrans-59.4-23.7176.800000113.9M25 E26 S166M25-G29 PolarHBondContact O-N 3.49Å; E26-G29 WeakPolarHBondContact O-CA 3.31Å; E26-G29 PolarHBondContact O-N 3.32Å; G29-S166 WeakPolarHBondContact O-CA 3.44Å; G29-S166 PolarHBondContact O-N 3.28Å; G29-S166 PolarHBondContact O-OG 2.87Å; G29-S166 VanDerWaalsContact O-OG 3.11Å
30H93.6Very high96.6Very high118 Ų11836.9 Ų36.955%0.54619%0.19SC..THydrogen-bonded Turntrans-930.2172.5-62.9-36.2000114.4E26 A27 V28 R50E26-H30 PolarHBondContact O-N 3.05Å; E26-H30 IonicContact OE1-CE1 3.7Å; E26-H30 IonicContact OE1-NE2 3.16Å; E26-H30 PolarHBondContact OE1-NE2 2.63Å; A27-H30 PolarHBondContact O-N 3.47Å; V28-H30 PolarHBondContact O-N 3.04Å; V28-H30 VanDerWaalsContact O-N 3.14Å; H30-R50 PolarHBondContact O-NH1 2.87Å
31A93.9Very high96.6Very high12 Ų1237.6 Ų37.610%0.09920%0.195CC..SBendtrans-82.2170.4176.400000112.2A27 V28 R50 A77 S166A27-A31 PolarHBondContact O-N 2.94Å; V28-A31 VanDerWaalsContact O-CB 3.28Å; V28-A31 WeakPolarHBondContact O-CB 3.32Å; V28-A31 PolarHBondContact O-N 3Å; A31-R50 PolarHBondContact O-NH2 2.8Å; A31-A77 HydrophobicContact CB-CB 4.26Å; A31-S166 WeakPolarHBondContact O-CB 3.47Å; A31-S166 PolarHBondContact O-N 3.25Å
32G92.6Very high96.6Very high2 Ų237.1 Ų37.12%0.02119%0.192CC..PPolyproline II helixtrans-56139.6174.500000112.2C34 E48G32-C34 PolarHBondContact O-N 2.98Å; G32-E48 VanDerWaalsContact CA-OE2 3.24Å; G32-E48 WeakPolarHBondContact CA-OE2 3.46Å
33T95.4Very high96.7Very high1 Ų134.5 Ų34.51%0.00618%0.179CC..PPolyproline II helixtrans-63.5128.3178.7-54.80000110.3A47 E48 C163 S166 L196T33-A47 CarbonylContact O-C 3.39Å; T33-A47 WeakPolarHBondContact O-CA 3.42Å; T33-E48 PolarHBondContact N-OE2 3.04Å; T33-E48 WeakPolarHBondContact O-CB 3.33Å; T33-E48 PolarHBondContact O-N 3.23Å; T33-C163 VanDerWaalsContact CG2-SG 3.51Å; T33-S166 PolarHBondContact OG1-O 3.36Å; T33-L196 HydrophobicContact CG2-CD2 4.08Å
34C96.8Very high96.8Very high0 Ų029.2 Ų29.20%016%0.159CC..EExtended strand (participates in β ladder)trans-130.8129.7174.4-650000108.8G32 A46 A47 A75 V76 A77 L135 C163 I164G32-C34 PolarHBondContact O-N 2.98Å; C34-A46 CarbonylContact C-O 3.55Å; C34-A46 WeakPolarHBondContact CA-O 3.23Å; C34-A47 HydrophobicContact CB-CB 4.42Å; C34-A47 VanDerWaalsContact SG-CB 3.58Å; C34-A75 HydrophobicContact CB-CB 4.45Å; C34-V76 PolarHBondContact SG-O 3.2Å; C34-V76 VanDerWaalsContact SG-O 3.33Å; C34-A77 HydrophobicContact CB-CB 4.47Å; C34-L135 HydrophobicContact CB-CD1 4.5Å; C34-C163 CarbonylContact O-C 3.56Å; C34-C163 WeakPolarHBondContact O-CA 3.44Å; C34-C163 PolarHBondContact O-SG 2.95Å; C34-I164 HydrophobicContact CB-CD1 4.42Å; C34-I164 HydrophobicContact CB-CG1 3.89Å; C34-I164 PolarHBondContact N-O 3.27Å; C34-I164 PolarHBondContact O-N 3.32Å; C34-I164 VanDerWaalsContact O-O 3.11Å
35L98Very high96.8Very high0 Ų028.8 Ų28.80%016%0.155CC..EExtended strand (participates in β ladder)trans-135.2154.9-179.766.7115.7000112.1V37 L45 A46 T162 C163 C192 V195 L196L35-V37 HydrophobicContact CD1-CG2 4.24Å; L35-L45 WeakPolarHBondContact O-CA 3.35Å; L35-A46 HydrophobicContact CD2-CB 4.48Å; L35-A46 HydrophobicContact CG-CB 4.22Å; L35-A46 PolarHBondContact N-O 3.24Å; L35-A46 PolarHBondContact O-N 3.35Å; L35-T162 CarbonylContact C-O 3.58Å; L35-T162 VanDerWaalsContact CA-O 3.28Å; L35-T162 WeakPolarHBondContact CA-O 3.19Å; L35-T162 WeakPolarHBondContact CB-O 3.41Å; L35-C163 HydrophobicContact CB-CB 3.92Å; L35-C192 HydrophobicContact CD1-CB 3.78Å; L35-C192 WeakPolarHBondContact CD1-SG 3.49Å; L35-V195 HydrophobicContact CD2-CB 4.28Å; L35-V195 HydrophobicContact CD2-CG1 3.87Å; L35-L196 HydrophobicContact CD2-CD2 3.61Å; L35-L196 HydrophobicContact CD2-CG 3.79Å
36G98.4Very high96.8Very high0 Ų025.1 Ų25.10%014%0.137CC..EExtended strand (participates in β ladder)trans-131.9141.617900000111V44 L147 A161 T162G36-V44 CarbonylContact C-O 3.56Å; G36-V44 VanDerWaalsContact CA-O 3.26Å; G36-V44 WeakPolarHBondContact CA-O 3.48Å; G36-L147 WeakPolarHBondContact O-CD2 3.46Å; G36-A161 VanDerWaalsContact O-CA 3.23Å; G36-A161 WeakPolarHBondContact O-CA 3.28Å; G36-T162 PolarHBondContact N-O 2.74Å; G36-T162 PolarHBondContact O-N 2.83Å
37V98.6Very high96.7Very high2 Ų219.6 Ų19.61%0.01211%0.112CC..EExtended strand (participates in β ladder)trans-135.9122.4177.2-178.70000109.2L35 I43 V44 A161 L175 Y179 A188 L191 C192L35-V37 HydrophobicContact CD1-CG2 4.24Å; V37-I43 WeakPolarHBondContact O-CG2 3.32Å; V37-V44 PolarHBondContact N-O 3.38Å; V37-V44 PolarHBondContact O-N 2.82Å; V37-A161 HydrophobicContact CG1-CB 4.5Å; V37-A161 HydrophobicContact CG2-CB 4.17Å; V37-L175 HydrophobicContact CG2-CD2 3.83Å; V37-Y179 HydrophobicContact CG1-CD2 4.08Å; V37-Y179 HydrophobicContact CG1-CE2 4.08Å; V37-A188 HydrophobicContact CB-CB 4.3Å; V37-A188 HydrophobicContact CG1-CB 3.79Å; V37-L191 HydrophobicContact CG1-CD2 4.41Å; V37-C192 VanDerWaalsContact CG2-SG 3.59Å
38V98.5Very high96.6Very high17 Ų1718.7 Ų18.710%0.10310%0.1CC..EExtended strand (participates in β ladder)trans-80.3130.6171.3-1780000108.9I43 L147 N160 Y179V38-I43 HydrophobicContact CG2-CG1 4.43Å; V38-I43 HydrophobicContact CG2-CG2 4.15Å; V38-L147 HydrophobicContact CG2-CB 3.54Å; V38-L147 HydrophobicContact CG2-CD2 4.21Å; V38-N160 WeakPolarHBondContact CB-O 3.28Å; V38-N160 WeakPolarHBondContact CG2-O 3.31Å; V38-N160 PolarHBondContact N-O 3.11Å; V38-Y179 WeakPolarHBondContact O-CE2 3.39Å
39A98.1Very high96.2Very high4 Ų420.3 Ų20.33%0.03311%0.107CC..EExtended strand (participates in β ladder)trans-116.2167.5174.800000109.4D41 G42 A183 V185 A188A39-D41 PolarHBondContact O-N 3.14Å; A39-G42 CarbonylContact C-O 3.6Å; A39-G42 WeakPolarHBondContact CA-O 3.23Å; A39-G42 WeakPolarHBondContact CB-O 3.46Å; A39-G42 PolarHBondContact N-O 3.49Å; A39-A183 WeakPolarHBondContact CB-O 3.29Å; A39-V185 HydrophobicContact CB-CG2 3.96Å; A39-A188 HydrophobicContact CB-CB 3.94Å
40K96.6Very high95.6Very high121 Ų12124 Ų2453%0.52611%0.111SC..THydrogen-bonded Turntrans-63.4-31.5179.572.1-175.6164.7-150.90113.4D182 A183 T184K40-D182 VanDerWaalsContact CD-O 3.29Å; K40-D182 WeakPolarHBondContact CD-O 3.47Å; K40-D182 WeakPolarHBondContact CE-O 3.5Å; K40-D182 PolarHBondContact NZ-O 3.33Å; K40-A183 WeakPolarHBondContact CG-O 3.42Å; K40-A183 PolarHBondContact N-O 2.95Å; K40-T184 VanDerWaalsContact CE-CG2 3.43Å
41D96.3Very high94.8Very high56 Ų5626 Ų2630%0.29912%0.119SC..THydrogen-bonded Turntrans-113.511.1-174.468.3-51.5000113.4A39 Y145 T184 V185 Q216A39-D41 PolarHBondContact O-N 3.14Å; D41-Y145 PolarHBondContact O-OH 2.98Å; D41-Y145 VanDerWaalsContact O-OH 3.14Å; D41-T184 WeakPolarHBondContact OD1-CA 3.33Å; D41-V185 WeakPolarHBondContact OD1-CG2 3.47Å; D41-V185 PolarHBondContact OD1-N 3.49Å; D41-Q216 WeakPolarHBondContact O-CG 3.49Å; D41-Q216 PolarHBondContact O-NE2 3.11Å; D41-Q216 PolarHBondContact OD2-NE2 3.13Å; D41-Q216 VanDerWaalsContact OD2-NE2 3.07Å
42G97.6Very high94Very high0 Ų028.3 Ų28.30%013%0.129CC..EExtended strand (participates in β ladder)trans167-167.117700000114.5A39 V185 L215A39-G42 CarbonylContact C-O 3.6Å; A39-G42 WeakPolarHBondContact CA-O 3.23Å; A39-G42 WeakPolarHBondContact CB-O 3.46Å; A39-G42 PolarHBondContact N-O 3.49Å; G42-V185 VanDerWaalsContact CA-CG2 3.47Å; G42-L215 CarbonylContact C-O 3.58Å; G42-L215 WeakPolarHBondContact CA-O 3.49Å
43I98.3Very high93.5Very high0 Ų032.5 Ų32.50%015%0.15CC..EExtended strand (participates in β ladder)trans-135.3137.9177-44.5174.9000108.9V37 V38 I137 G138 Y145 Q146 V214 L215V37-I43 WeakPolarHBondContact O-CG2 3.32Å; V38-I43 HydrophobicContact CG2-CG1 4.43Å; V38-I43 HydrophobicContact CG2-CG2 4.15Å; I43-I137 HydrophobicContact CB-CB 4.19Å; I43-I137 HydrophobicContact CB-CG2 4.14Å; I43-I137 HydrophobicContact CD1-CB 4.12Å; I43-I137 HydrophobicContact CG2-CB 3.98Å; I43-I137 HydrophobicContact CG2-CG2 3.4Å; I43-I137 VanDerWaalsContact CG2-CG2 3.4Å; I43-G138 WeakPolarHBondContact CD1-O 3.05Å; I43-Y145 HydrophobicContact CD1-CD1 4.11Å; I43-Y145 HydrophobicContact CD1-CG 4.33Å; I43-Y145 HydrophobicContact CG1-CD1 3.88Å; I43-Y145 HydrophobicContact CG1-CG 4.02Å; I43-Q146 WeakPolarHBondContact CD1-O 3.43Å; I43-V214 WeakPolarHBondContact O-CA 3.45Å; I43-L215 PolarHBondContact N-O 3.11Å; I43-L215 PolarHBondContact O-N 3.33Å
44V98.2Very high92.8Very high0 Ų039.8 Ų39.80%019%0.19CC..EExtended strand (participates in β ladder)trans-111.7132178.3-173.60000109.4G36 V37 V185 A188 I212 G213 V214G36-V44 CarbonylContact C-O 3.56Å; G36-V44 VanDerWaalsContact CA-O 3.26Å; G36-V44 WeakPolarHBondContact CA-O 3.48Å; V37-V44 PolarHBondContact N-O 3.38Å; V37-V44 PolarHBondContact O-N 2.82Å; V44-V185 HydrophobicContact CG2-CG1 3.99Å; V44-A188 HydrophobicContact CG2-CB 4.03Å; V44-I212 HydrophobicContact CG1-CG2 3.64Å; V44-G213 WeakPolarHBondContact CA-O 3.47Å; V44-V214 HydrophobicContact CG1-CG2 4.44Å; V44-V214 HydrophobicContact CG2-CG2 4.34Å
45L98.1Very high92.4Very high0 Ų047.3 Ų47.30%023%0.229CC..EExtended strand (participates in β ladder)trans-108.2136.8162.7-76.5171.5000109L35 I65 A75 L135 I137 I212 G213L35-L45 WeakPolarHBondContact O-CA 3.35Å; L45-I65 HydrophobicContact CB-CD1 3.88Å; L45-I65 HydrophobicContact CB-CG1 4.49Å; L45-I65 HydrophobicContact CD1-CG2 4.32Å; L45-A75 HydrophobicContact CD1-CB 3.89Å; L45-A75 HydrophobicContact CD2-CB 4.07Å; L45-A75 HydrophobicContact CG-CB 4.39Å; L45-L135 HydrophobicContact CD2-CB 3.75Å; L45-L135 HydrophobicContact CD2-CD1 4.04Å; L45-I137 HydrophobicContact CD1-CB 4.31Å; L45-I137 HydrophobicContact CD1-CD1 3.61Å; L45-I137 HydrophobicContact CD1-CG1 3.68Å; L45-I137 HydrophobicContact CD1-CG2 3.75Å; L45-I137 HydrophobicContact CD2-CG2 3.81Å; L45-I137 HydrophobicContact CG-CD1 3.87Å; L45-I137 HydrophobicContact CG-CG1 4.23Å; L45-I137 HydrophobicContact CG-CG2 3.53Å; L45-I212 CarbonylContact O-C 3.5Å; L45-I212 VanDerWaalsContact O-CA 3.3Å; L45-I212 WeakPolarHBondContact O-CA 3.4Å; L45-I212 WeakPolarHBondContact O-CG2 3.42Å; L45-G213 PolarHBondContact N-O 2.97Å; L45-G213 PolarHBondContact O-N 3.14Å
46A97Very high91.8Very high0 Ų051.5 Ų51.50%025%0.251CS..EExtended strand (participates in β ladder)trans-130.2131.4170.300000109.9C34 L35 C192 L196 E211 I212C34-A46 CarbonylContact C-O 3.55Å; C34-A46 WeakPolarHBondContact CA-O 3.23Å; L35-A46 HydrophobicContact CD2-CB 4.48Å; L35-A46 HydrophobicContact CG-CB 4.22Å; L35-A46 PolarHBondContact N-O 3.24Å; L35-A46 PolarHBondContact O-N 3.35Å; A46-C192 HydrophobicContact CB-CB 3.76Å; A46-L196 HydrophobicContact CB-CD1 3.91Å; A46-E211 CarbonylContact C-O 3.58Å; A46-E211 WeakPolarHBondContact CA-O 3.34Å; A46-I212 HydrophobicContact CB-CG1 4.45Å
47A95.5Very high91Very high0 Ų056 Ų560%028%0.275CS..EExtended strand (participates in β ladder)trans-133.2137.4-174.300000112.1T33 C34 K64 V210 E211T33-A47 CarbonylContact O-C 3.39Å; T33-A47 WeakPolarHBondContact O-CA 3.42Å; C34-A47 HydrophobicContact CB-CB 4.42Å; C34-A47 VanDerWaalsContact SG-CB 3.58Å; A47-K64 HydrophobicContact CB-CB 3.53Å; A47-K64 HydrophobicContact CB-CG 4.06Å; A47-V210 WeakPolarHBondContact O-CA 3.44Å; A47-E211 PolarHBondContact N-O 3.44Å; A47-E211 PolarHBondContact O-N 3.08Å
48E93.5Very high89.8Confident21 Ų2163.4 Ų63.410%0.09831%0.309CS..EExtended strand (participates in β ladder)trans-76.3120.5173.2-174-165.1-174.500110.5G32 T33 R50 M200 K209G32-E48 VanDerWaalsContact CA-OE2 3.24Å; G32-E48 WeakPolarHBondContact CA-OE2 3.46Å; T33-E48 PolarHBondContact N-OE2 3.04Å; T33-E48 WeakPolarHBondContact O-CB 3.33Å; T33-E48 PolarHBondContact O-N 3.23Å; E48-R50 HydrophobicContact CG-CG 4.12Å; E48-R50 IonicContact OE1-NE 3.76Å; E48-R50 IonicContact OE2-CZ 2.63Å; E48-R50 IonicContact OE2-NE 3.93Å; E48-R50 PolarHBondContact OE2-NE 3.09Å; E48-R50 VanDerWaalsContact OE2-NE 3.16Å; E48-R50 IonicContact OE2-NH2 2.72Å; E48-M200 HydrophobicContact CG-CE 3.91Å; E48-M200 HydrophobicContact CG-SD 4.17Å; E48-K209 CarbonylContact C-O 3.45Å; E48-K209 WeakPolarHBondContact CA-O 3.3Å
49K89.9Confident88.5Confident43 Ų4367.8 Ų67.819%0.18734%0.336CS..  trans-86.1107.6166-60.4-166.3-178-155.30108.9I52 S62 K209 E211K49-I52 VanDerWaalsContact O-CD1 3.32Å; K49-I52 WeakPolarHBondContact O-CD1 3.43Å; K49-I52 WeakPolarHBondContact O-CG1 3.36Å; K49-S62 WeakPolarHBondContact CE-O 3.49Å; K49-S62 PolarHBondContact NZ-O 3.31Å; K49-K209 PolarHBondContact N-O 3.28Å; K49-E211 VanDerWaalsContact CE-CB 3.49Å; K49-E211 WeakPolarHBondContact CE-OE1 3.4Å; K49-E211 IonicContact NZ-OE1 3.04Å; K49-E211 PolarHBondContact NZ-OE1 3.33Å
50R82.6Confident87Confident106 Ų10672.3 Ų72.340%0.436%0.363SS..  trans-84.8-32.8179.5-73.9-167.5170.2-172.36114.5H30 A31 E48 I52 S166H30-R50 PolarHBondContact O-NH1 2.87Å; A31-R50 PolarHBondContact O-NH2 2.8Å; E48-R50 HydrophobicContact CG-CG 4.12Å; E48-R50 IonicContact OE1-NE 3.76Å; E48-R50 IonicContact OE2-CZ 2.63Å; E48-R50 IonicContact OE2-NE 3.93Å; E48-R50 PolarHBondContact OE2-NE 3.09Å; E48-R50 VanDerWaalsContact OE2-NE 3.16Å; E48-R50 IonicContact OE2-NH2 2.72Å; R50-I52 PolarHBondContact O-N 2.69Å; R50-S166 PolarHBondContact NH2-OG 3.42Å
51F76Confident85.4Confident161 Ų16174.2 Ų74.271%0.70637%0.372SS*.  trans-88.991.7179-64.9-72.6000108.4L56F51-L56 HydrophobicContact CB-CD1 4.46Å; F51-L56 VanDerWaalsContact O-CD1 3.28Å; F51-L56 WeakPolarHBondContact O-CD1 3.31Å
52I77.6Confident83.9Confident60 Ų6074.6 Ų74.631%0.30838%0.379SS..  trans-120119.2174.1-51.6159.4000105.6K49 R50 E208 K209K49-I52 VanDerWaalsContact O-CD1 3.32Å; K49-I52 WeakPolarHBondContact O-CD1 3.43Å; K49-I52 WeakPolarHBondContact O-CG1 3.36Å; R50-I52 PolarHBondContact O-N 2.69Å; I52-E208 HydrophobicContact CG2-CB 4.4Å; I52-K209 HydrophobicContact CD1-CB 3.74Å; I52-K209 HydrophobicContact CD1-CD 3.34Å; I52-K209 VanDerWaalsContact CD1-CE 3.44Å; I52-K209 HydrophobicContact CD1-CG 3.29Å
53N82Confident83Confident90 Ų9076.7 Ų76.748%0.48139%0.389SS..  trans-149.1134.3173.9-177.1-33.4000106.5L55 L56N53-L55 PolarHBondContact O-N 3.23Å; N53-L55 WeakPolarHBondContact OD1-CB 3.46Å; N53-L55 PolarHBondContact OD1-N 2.99Å; N53-L56 HydrophobicContact CB-CD1 4.25Å; N53-L56 HydrophobicContact CB-CG 4.11Å; N53-L56 VanDerWaalsContact O-CB 3.31Å; N53-L56 WeakPolarHBondContact O-CB 3.37Å; N53-L56 PolarHBondContact O-N 3.46Å
54N81.8Confident82.7Confident155 Ų15578 Ų7883%0.82940%0.395SS*.THydrogen-bonded Turntrans-61.3-13.6-179-57.92.9000113.1
55L88.6Confident82.6Confident158 Ų15878.2 Ų78.283%0.82740%0.396SS*.THydrogen-bonded Turntrans-90.7-6.3174.5-58.1179.1000113.5N53N53-L55 PolarHBondContact O-N 3.23Å; N53-L55 WeakPolarHBondContact OD1-CB 3.46Å; N53-L55 PolarHBondContact OD1-N 2.99Å
56L84.6Confident82.4Confident87 Ų8779.8 Ų79.846%0.45540%0.402SS..SBendtrans-69.5133.2171.6-71.3170.8000108.8F51 N53 E58F51-L56 HydrophobicContact CB-CD1 4.46Å; F51-L56 VanDerWaalsContact O-CD1 3.28Å; F51-L56 WeakPolarHBondContact O-CD1 3.31Å; N53-L56 HydrophobicContact CB-CD1 4.25Å; N53-L56 HydrophobicContact CB-CG 4.11Å; N53-L56 VanDerWaalsContact O-CB 3.31Å; N53-L56 WeakPolarHBondContact O-CB 3.37Å; N53-L56 PolarHBondContact O-N 3.46Å; L56-E58 PolarHBondContact O-N 3.18Å; L56-E58 VanDerWaalsContact O-N 3.14Å
57D81.3Confident82.4Confident94 Ų9484.6 Ų84.650%0.50342%0.423SS..  trans-73.2104.6171.4-174.6-4.6000109T59 V60D57-T59 PolarHBondContact O-N 2.9Å; D57-T59 VanDerWaalsContact O-N 3.15Å; D57-T59 VanDerWaalsContact OD1-CB 3.25Å; D57-T59 WeakPolarHBondContact OD1-CB 3.42Å; D57-T59 VanDerWaalsContact OD1-CG2 3.32Å; D57-T59 WeakPolarHBondContact OD1-CG2 3.25Å; D57-T59 PolarHBondContact OD1-N 2.98Å; D57-T59 PolarHBondContact OD1-OG1 3.34Å; D57-T59 PolarHBondContact OD2-OG1 2.9Å; D57-V60 HydrophobicContact CB-CG2 4.23Å; D57-V60 PolarHBondContact O-N 3.42Å
58E74.2Confident82.4Confident158 Ų15885 Ų8574%0.73843%0.425SS*.THydrogen-bonded Turntrans-64.2-14.5178.3-61.7-174.1167.200112.8L56 V60L56-E58 PolarHBondContact O-N 3.18Å; L56-E58 VanDerWaalsContact O-N 3.14Å; E58-V60 VanDerWaalsContact C-N 3.25Å
59T71.1Confident82.5Confident110 Ų11084.8 Ų84.868%0.67542%0.424SS*.THydrogen-bonded Turntrans-72.7-21.917374.50000112.3D57D57-T59 PolarHBondContact O-N 2.9Å; D57-T59 VanDerWaalsContact O-N 3.15Å; D57-T59 VanDerWaalsContact OD1-CB 3.25Å; D57-T59 WeakPolarHBondContact OD1-CB 3.42Å; D57-T59 VanDerWaalsContact OD1-CG2 3.32Å; D57-T59 WeakPolarHBondContact OD1-CG2 3.25Å; D57-T59 PolarHBondContact OD1-N 2.98Å; D57-T59 PolarHBondContact OD1-OG1 3.34Å; D57-T59 PolarHBondContact OD2-OG1 2.9Å
60V65.6Low82.7Confident98 Ų9887.9 Ų87.959%0.59444%0.443SS*.SBendtrans-87.9116.1172.4-176.40000108.4D57 E58 S62D57-V60 HydrophobicContact CB-CG2 4.23Å; D57-V60 PolarHBondContact O-N 3.42Å; E58-V60 VanDerWaalsContact C-N 3.25Å; V60-S62 PolarHBondContact O-N 2.9Å
61F63.8Low83.4Confident161 Ų16184 Ų8471%0.70643%0.43SS*.  trans-55.692.2-179.1-73.5-75.4000112.8E63F61-E63 HydrophobicContact CB-CG 3.89Å; F61-E63 VanDerWaalsContact CD1-CD 3.46Å; F61-E63 HydrophobicContact CD1-CG 3.84Å; F61-E63 WeakPolarHBondContact CD1-OE1 3.32Å; F61-E63 WeakPolarHBondContact CE1-OE1 3.28Å; F61-E63 HydrophobicContact CG-CG 4.3Å; F61-E63 PolarHBondContact O-N 3.48Å
62S64.3Low84.4Confident65 Ų6576.3 Ų76.346%0.45540%0.396SS..  trans-80.464.9161.3169.80000109K49 V60K49-S62 WeakPolarHBondContact CE-O 3.49Å; K49-S62 PolarHBondContact NZ-O 3.31Å; V60-S62 PolarHBondContact O-N 2.9Å
63E79.4Confident85.4Confident44 Ų4473.5 Ų73.521%0.20638%0.382CS..  trans-86.7145.7179.5-71.4178.6161.700110.8F61 Y66F61-E63 HydrophobicContact CB-CG 3.89Å; F61-E63 VanDerWaalsContact CD1-CD 3.46Å; F61-E63 HydrophobicContact CD1-CG 3.84Å; F61-E63 WeakPolarHBondContact CD1-OE1 3.32Å; F61-E63 WeakPolarHBondContact CE1-OE1 3.28Å; F61-E63 HydrophobicContact CG-CG 4.3Å; F61-E63 PolarHBondContact O-N 3.48Å; E63-Y66 HydrophobicContact CB-CE1 4.28Å; E63-Y66 PolarHBondContact O-OH 2.92Å
64K92.1Very high86.1Confident27 Ų2769.2 Ų69.212%0.11736%0.359CS..SBendtrans-103.7-22.1163.7-74.5-70.2-170.5174.30111.1A47 A75 V76 E211A47-K64 HydrophobicContact CB-CB 3.53Å; A47-K64 HydrophobicContact CB-CG 4.06Å; K64-A75 VanDerWaalsContact O-CA 3.29Å; K64-A75 WeakPolarHBondContact O-CA 3.47Å; K64-V76 HydrophobicContact CD-CG2 4.45Å; K64-V76 PolarHBondContact O-N 3.26Å; K64-V76 VanDerWaalsContact O-N 3.16Å; K64-E211 WeakPolarHBondContact CA-OE2 3.41Å; K64-E211 PolarHBondContact N-OE2 3.2Å
65I95Very high86.9Confident5 Ų561.8 Ų61.83%0.02632%0.319CS..EExtended strand (participates in β ladder)trans-106.9118.4-177.6-55.7179.8000109.4L45 C74 A75 E211 L226L45-I65 HydrophobicContact CB-CD1 3.88Å; L45-I65 HydrophobicContact CB-CG1 4.49Å; L45-I65 HydrophobicContact CD1-CG2 4.32Å; I65-C74 CarbonylContact C-O 3.56Å; I65-C74 VanDerWaalsContact CA-O 3.31Å; I65-C74 WeakPolarHBondContact CA-O 3.48Å; I65-A75 HydrophobicContact CG1-CB 4.23Å; I65-E211 HydrophobicContact CD1-CB 4.33Å; I65-E211 HydrophobicContact CD1-CG 4.07Å; I65-E211 HydrophobicContact CG1-CG 4.31Å; I65-E211 PolarHBondContact N-OE2 3.07Å; I65-L226 HydrophobicContact CB-CD2 4.15Å; I65-L226 HydrophobicContact CD1-CD2 4.33Å; I65-L226 HydrophobicContact CG2-CD2 4.24Å
66Y95.4Very high87.3Confident33 Ų3354.5 Ų54.513%0.12928%0.281CS..EExtended strand (participates in β ladder)trans-116.8127.9-175.9-60.1-87.5000111E63 A73 C74 V76 I87E63-Y66 HydrophobicContact CB-CE1 4.28Å; E63-Y66 PolarHBondContact O-OH 2.92Å; Y66-A73 CarbonylContact O-C 3.56Å; Y66-A73 VanDerWaalsContact O-CA 3.31Å; Y66-A73 WeakPolarHBondContact O-CA 3.17Å; Y66-C74 PolarHBondContact N-O 3.3Å; Y66-C74 PolarHBondContact O-N 3.25Å; Y66-V76 HydrophobicContact CD2-CG1 4.16Å; Y66-V76 HydrophobicContact CD2-CG2 4.46Å; Y66-V76 HydrophobicContact CE2-CG1 4.24Å; Y66-V76 HydrophobicContact CE2-CG2 3.79Å; Y66-I87 HydrophobicContact CD1-CD1 3.98Å; Y66-I87 HydrophobicContact CD2-CD1 3.29Å; Y66-I87 HydrophobicContact CD2-CG1 4.29Å; Y66-I87 HydrophobicContact CE1-CD1 4.15Å; Y66-I87 HydrophobicContact CE2-CD1 3.48Å; Y66-I87 VanDerWaalsContact CE2-CD1 3.48Å; Y66-I87 HydrophobicContact CG-CD1 3.53Å; Y66-I87 HydrophobicContact CG-CG1 4.32Å; Y66-I87 HydrophobicContact CG-CG2 4.43Å
67K95.3Very high87.8Confident101 Ų10150.3 Ų50.344%0.43926%0.259SS..EExtended strand (participates in β ladder)trans-69.3128.9167.4-171.2178.5175.9-1740109.9N69 D70 R91K67-N69 WeakPolarHBondContact CE-O 3.39Å; K67-N69 WeakPolarHBondContact CG-O 3.43Å; K67-D70 WeakPolarHBondContact CE-OD1 3.3Å; K67-D70 IonicContact NZ-OD1 2.71Å; K67-D70 PolarHBondContact NZ-OD1 3.29Å; K67-R91 PolarHBondContact O-NE 2.86Å; K67-R91 VanDerWaalsContact O-NE 3.12Å; K67-R91 PolarHBondContact O-NH2 2.94Å
68I96.7Very high88.5Confident9 Ų946.6 Ų46.65%0.04624%0.243CC..  trans-99-50.3177.2-56.3-54.7000110.6I72 I87 M90 R91 A94 L110I68-I72 HydrophobicContact CB-CB 4.44Å; I68-I72 HydrophobicContact CB-CG2 4.36Å; I68-I72 PolarHBondContact N-O 3.42Å; I68-I87 HydrophobicContact CD1-CG2 3.98Å; I68-M90 HydrophobicContact CD1-CB 4.27Å; I68-M90 HydrophobicContact CD1-CE 3.87Å; I68-M90 HydrophobicContact CG2-CB 3.93Å; I68-R91 HydrophobicContact CG2-CG 4.3Å; I68-A94 HydrophobicContact CG2-CB 4.35Å; I68-L110 HydrophobicContact CG2-CD2 3.91Å
69N95Very high89.5Confident15 Ų1542.6 Ų42.68%0.0823%0.226CC..SBendtrans-144.8-165.217068.79.3000108.8K67 D71 I72 A94K67-N69 WeakPolarHBondContact CE-O 3.39Å; K67-N69 WeakPolarHBondContact CG-O 3.43Å; N69-D71 VanDerWaalsContact C-N 3.28Å; N69-D71 PolarHBondContact O-N 3.13Å; N69-D71 PolarHBondContact OD1-N 2.91Å; N69-I72 PolarHBondContact N-O 3.3Å; N69-I72 WeakPolarHBondContact OD1-CA 3.24Å; N69-I72 VanDerWaalsContact OD1-CB 3.25Å; N69-I72 WeakPolarHBondContact OD1-CB 3.33Å; N69-I72 WeakPolarHBondContact OD1-CG1 3.41Å; N69-I72 PolarHBondContact OD1-N 2.77Å; N69-A94 HydrophobicContact CB-CB 4.3Å
70D94.2Very high90.6Very high108 Ų10840.6 Ų40.658%0.57821%0.214SC*.SBendtrans-69.4-24.7-178.8-69.3-30.3000114.2K67K67-D70 WeakPolarHBondContact CE-OD1 3.3Å; K67-D70 IonicContact NZ-OD1 2.71Å; K67-D70 PolarHBondContact NZ-OD1 3.29Å
71D97.1Very high91.9Very high25 Ų2539.1 Ų39.113%0.13421%0.212CC..SBendtrans-110.3-5.5-173.8-66.3-59.6000113.7N69 P104 G138 W139 T222N69-D71 VanDerWaalsContact C-N 3.28Å; N69-D71 PolarHBondContact O-N 3.13Å; N69-D71 PolarHBondContact OD1-N 2.91Å; D71-P104 WeakPolarHBondContact OD2-CB 3.39Å; D71-G138 CarbonylContact O-C 3.57Å; D71-G138 WeakPolarHBondContact O-CA 3.31Å; D71-W139 PolarHBondContact O-N 3.03Å; D71-T222 WeakPolarHBondContact OD1-CB 3.49Å; D71-T222 PolarHBondContact OD1-OG1 3.12Å
72I97.7Very high93.5Very high0 Ų031.8 Ų31.80%018%0.18CC..EExtended strand (participates in β ladder)trans-138.1133.1-172.6-52.6174.1000111.1I68 N69 V107 L110 I137I68-I72 HydrophobicContact CB-CB 4.44Å; I68-I72 HydrophobicContact CB-CG2 4.36Å; I68-I72 PolarHBondContact N-O 3.42Å; N69-I72 PolarHBondContact N-O 3.3Å; N69-I72 WeakPolarHBondContact OD1-CA 3.24Å; N69-I72 VanDerWaalsContact OD1-CB 3.25Å; N69-I72 WeakPolarHBondContact OD1-CB 3.33Å; N69-I72 WeakPolarHBondContact OD1-CG1 3.41Å; N69-I72 PolarHBondContact OD1-N 2.77Å; I72-V107 HydrophobicContact CD1-CG2 4.36Å; I72-V107 HydrophobicContact CG1-CG2 4.24Å; I72-L110 HydrophobicContact CD1-CB 4.33Å; I72-L110 HydrophobicContact CD1-CD2 3.71Å; I72-L110 HydrophobicContact CG2-CD2 3.92Å; I72-I137 WeakPolarHBondContact CA-O 3.41Å
73A97.7Very high95.1Very high0 Ų028.8 Ų28.80%016%0.159CC..EExtended strand (participates in β ladder)trans-132.1163.5167.500000110.5Y66 I137 V224Y66-A73 CarbonylContact O-C 3.56Å; Y66-A73 VanDerWaalsContact O-CA 3.31Å; Y66-A73 WeakPolarHBondContact O-CA 3.17Å; A73-I137 HydrophobicContact CB-CD1 4.33Å; A73-I137 HydrophobicContact CB-CG1 3.97Å; A73-I137 PolarHBondContact N-O 3.5Å; A73-I137 PolarHBondContact O-N 3.31Å; A73-I137 VanDerWaalsContact O-O 3.06Å; A73-V224 HydrophobicContact CB-CG1 3.85Å; A73-V224 HydrophobicContact CB-CG2 4.21Å
74C97.6Very high95.8Very high0 Ų030.5 Ų30.50%017%0.173CC..EExtended strand (participates in β ladder)trans-137.8150.9175.270.30000112.4I65 Y66 L135 F136I65-C74 CarbonylContact C-O 3.56Å; I65-C74 VanDerWaalsContact CA-O 3.31Å; I65-C74 WeakPolarHBondContact CA-O 3.48Å; Y66-C74 PolarHBondContact N-O 3.3Å; Y66-C74 PolarHBondContact O-N 3.25Å; C74-L135 CarbonylContact C-O 3.54Å; C74-L135 WeakPolarHBondContact CA-O 3.33Å; C74-L135 VanDerWaalsContact CB-O 3.32Å; C74-L135 WeakPolarHBondContact CB-O 3.32Å; C74-F136 HydrophobicContact CB-CD1 4.09Å; C74-F136 HydrophobicContact CB-CE1 4.22Å
75A97.5Very high96Very high0 Ų033 Ų330%019%0.191CC..EExtended strand (participates in β ladder)trans-107148.4164.200000110C34 L45 K64 I65 M134 L135C34-A75 HydrophobicContact CB-CB 4.45Å; L45-A75 HydrophobicContact CD1-CB 3.89Å; L45-A75 HydrophobicContact CD2-CB 4.07Å; L45-A75 HydrophobicContact CG-CB 4.39Å; K64-A75 VanDerWaalsContact O-CA 3.29Å; K64-A75 WeakPolarHBondContact O-CA 3.47Å; I65-A75 HydrophobicContact CG1-CB 4.23Å; A75-M134 CarbonylContact O-C 3.57Å; A75-M134 VanDerWaalsContact O-CA 3.31Å; A75-M134 WeakPolarHBondContact O-CA 3.41Å; A75-L135 HydrophobicContact CB-CB 4.48Å; A75-L135 PolarHBondContact N-O 2.92Å; A75-L135 PolarHBondContact O-N 2.86Å
76V96.9Very high96.2Very high4 Ų432.8 Ų32.82%0.02419%0.189CC..EExtended strand (participates in β ladder)trans-121.3137.9-175.6-52.90000112.3C34 K64 Y66 A83 I87 V132 M134C34-V76 PolarHBondContact SG-O 3.2Å; C34-V76 VanDerWaalsContact SG-O 3.33Å; K64-V76 HydrophobicContact CD-CG2 4.45Å; K64-V76 PolarHBondContact O-N 3.26Å; K64-V76 VanDerWaalsContact O-N 3.16Å; Y66-V76 HydrophobicContact CD2-CG1 4.16Å; Y66-V76 HydrophobicContact CD2-CG2 4.46Å; Y66-V76 HydrophobicContact CE2-CG1 4.24Å; Y66-V76 HydrophobicContact CE2-CG2 3.79Å; V76-A83 HydrophobicContact CB-CB 4.01Å; V76-A83 HydrophobicContact CG1-CB 4.08Å; V76-A83 HydrophobicContact CG2-CB 3.97Å; V76-I87 HydrophobicContact CG1-CD1 4.11Å; V76-V132 HydrophobicContact CB-CG1 4.31Å; V76-M134 HydrophobicContact CG1-CE 3.91Å; V76-M134 HydrophobicContact CG1-CG 4.1Å; V76-M134 HydrophobicContact CG1-SD 4.39Å
77A96.5Very high96.3Very high0 Ų031.4 Ų31.40%018%0.184CC..EExtended strand (participates in β ladder)trans-128.4128.7168.500000109.6V28 A31 C34 V132 S133 I164V28-A77 HydrophobicContact CG1-CB 4.3Å; A31-A77 HydrophobicContact CB-CB 4.26Å; C34-A77 HydrophobicContact CB-CB 4.47Å; A77-V132 WeakPolarHBondContact O-CA 3.16Å; A77-S133 PolarHBondContact N-O 3.34Å; A77-S133 PolarHBondContact O-N 3.47Å; A77-S133 VanDerWaalsContact O-O 3.09Å; A77-I164 HydrophobicContact CB-CB 4.43Å; A77-I164 HydrophobicContact CB-CD1 3.67Å; A77-I164 HydrophobicContact CB-CG1 3.76Å
78G96Very high96.4Very high16 Ų1631 Ų3117%0.16519%0.186CC..EExtended strand (participates in β ladder)trans132-148.2-177.100000112.3T80 G131G78-T80 PolarHBondContact O-N 3.47Å; G78-G131 CarbonylContact C-O 3.58Å; G78-G131 VanDerWaalsContact CA-O 3.26Å; G78-G131 WeakPolarHBondContact CA-O 3.46Å
79I95.2Very high96.5Very high73 Ų7333.3 Ų33.337%0.37420%0.197SC..  trans-74.3112.5-179-59177.9000110.1A81 D82 A83 G131 V132I79-A81 VanDerWaalsContact C-N 3.29Å; I79-A81 HydrophobicContact CG2-CB 4.25Å; I79-A81 PolarHBondContact O-N 2.86Å; I79-D82 HydrophobicContact CB-CB 4.14Å; I79-D82 HydrophobicContact CG2-CB 4.22Å; I79-D82 WeakPolarHBondContact O-CB 3.4Å; I79-D82 PolarHBondContact O-N 3.14Å; I79-D82 VanDerWaalsContact O-N 3.15Å; I79-A83 PolarHBondContact O-N 3.4Å; I79-A83 VanDerWaalsContact O-N 3.07Å; I79-G131 PolarHBondContact N-O 2.97Å; I79-V132 HydrophobicContact CB-CG2 4.49Å; I79-V132 WeakPolarHBondContact O-CG2 3.47Å
80T93.2Very high96.6Very high68 Ų6832.6 Ų32.642%0.41719%0.193SC..Hα-helixtrans-56.8-39.6-177.9-50.90000113.1G78 D82 A83 T84G78-T80 PolarHBondContact O-N 3.47Å; T80-D82 VanDerWaalsContact C-N 3.33Å; T80-D82 PolarHBondContact O-N 2.64Å; T80-A83 WeakPolarHBondContact O-CB 3.2Å; T80-A83 PolarHBondContact O-N 2.97Å; T80-T84 PolarHBondContact O-N 2.89Å; T80-T84 PolarHBondContact O-OG1 3.06Å
81A94.2Very high96.8Very high68 Ų6832.2 Ų32.256%0.56218%0.184SC*.Hα-helixtrans-62.2-40179.900000112.6I79I79-A81 VanDerWaalsContact C-N 3.29Å; I79-A81 HydrophobicContact CG2-CB 4.25Å; I79-A81 PolarHBondContact O-N 2.86Å
82D97Very high96.9Very high7 Ų735.1 Ų35.14%0.03720%0.199CC..Hα-helixtrans-68.3-39.6175.6-75.97.3000110.7I79 T80 T84 V85 L86 R128 F130 G131 V132I79-D82 HydrophobicContact CB-CB 4.14Å; I79-D82 HydrophobicContact CG2-CB 4.22Å; I79-D82 WeakPolarHBondContact O-CB 3.4Å; I79-D82 PolarHBondContact O-N 3.14Å; I79-D82 VanDerWaalsContact O-N 3.15Å; T80-D82 VanDerWaalsContact C-N 3.33Å; T80-D82 PolarHBondContact O-N 2.64Å; D82-T84 VanDerWaalsContact C-N 3.33Å; D82-T84 PolarHBondContact O-N 2.86Å; D82-V85 PolarHBondContact O-N 2.61Å; D82-L86 PolarHBondContact O-N 3.04Å; D82-R128 IonicContact OD1-CZ 3.31Å; D82-R128 IonicContact OD1-NH1 3.6Å; D82-R128 PolarHBondContact OD1-NH1 2.93Å; D82-R128 IonicContact OD1-NH2 3.47Å; D82-R128 PolarHBondContact OD1-NH2 3.15Å; D82-R128 IonicContact OD2-CZ 2.72Å; D82-R128 IonicContact OD2-NH1 2.69Å; D82-R128 PolarHBondContact OD2-NH1 3.22Å; D82-R128 IonicContact OD2-NH2 3.44Å; D82-F130 HydrophobicContact CB-CD1 3.98Å; D82-F130 WeakPolarHBondContact OD2-CA 3.46Å; D82-G131 PolarHBondContact OD2-N 2.87Å; D82-V132 HydrophobicContact CB-CG2 3.5Å; D82-V132 VanDerWaalsContact CB-CG2 3.5Å
83A96.3Very high96.9Very high1 Ų136 Ų361%0.00820%0.203CC..Hα-helixtrans-60.7-43.3179.400000111.2V76 I79 T80 V85 L86 I87 V132 M134V76-A83 HydrophobicContact CB-CB 4.01Å; V76-A83 HydrophobicContact CG1-CB 4.08Å; V76-A83 HydrophobicContact CG2-CB 3.97Å; I79-A83 PolarHBondContact O-N 3.4Å; I79-A83 VanDerWaalsContact O-N 3.07Å; T80-A83 WeakPolarHBondContact O-CB 3.2Å; T80-A83 PolarHBondContact O-N 2.97Å; A83-V85 VanDerWaalsContact C-N 3.29Å; A83-V85 PolarHBondContact O-N 2.72Å; A83-L86 PolarHBondContact O-N 2.88Å; A83-I87 HydrophobicContact CB-CD1 4.35Å; A83-I87 WeakPolarHBondContact O-CB 3.47Å; A83-I87 VanDerWaalsContact O-CD1 3.31Å; A83-I87 WeakPolarHBondContact O-CD1 3.33Å; A83-I87 WeakPolarHBondContact O-CG1 3.35Å; A83-I87 PolarHBondContact O-N 2.77Å; A83-V132 HydrophobicContact CB-CG1 4.05Å; A83-V132 HydrophobicContact CB-CG2 4.08Å; A83-M134 HydrophobicContact CB-CE 4.27Å
84T95.1Very high96.9Very high80 Ų8036 Ų3649%0.49120%0.204SC..Hα-helixtrans-59-38.6178.6-53.60000112.6T80 D82 N88T80-T84 PolarHBondContact O-N 2.89Å; T80-T84 PolarHBondContact O-OG1 3.06Å; D82-T84 VanDerWaalsContact C-N 3.33Å; D82-T84 PolarHBondContact O-N 2.86Å; T84-N88 WeakPolarHBondContact O-CB 3.29Å; T84-N88 PolarHBondContact O-N 2.96Å; T84-N88 VanDerWaalsContact O-N 3.09Å
85V97.2Very high96.9Very high81 Ų8140.8 Ų40.849%0.49123%0.226SC..Hα-helixtrans-63.8-49.31771760000110.5D82 A83 N88 E89 F130D82-V85 PolarHBondContact O-N 2.61Å; A83-V85 VanDerWaalsContact C-N 3.29Å; A83-V85 PolarHBondContact O-N 2.72Å; V85-N88 PolarHBondContact O-N 2.85Å; V85-E89 PolarHBondContact O-N 3.16Å; V85-E89 VanDerWaalsContact O-N 3.08Å; V85-F130 HydrophobicContact CB-CE1 4.42Å; V85-F130 HydrophobicContact CG1-CE1 4.16Å; V85-F130 HydrophobicContact CG1-CZ 4.49Å
86L98Very high97Very high0 Ų047.1 Ų47.10%025%0.25CC..Hα-helixtrans-64.6-41.9-179.9-65.1175.9000111.5D82 A83 N88 E89 M90 I114 L117 Q118 F130 V132 M134D82-L86 PolarHBondContact O-N 3.04Å; A83-L86 PolarHBondContact O-N 2.88Å; L86-N88 VanDerWaalsContact C-N 3.33Å; L86-N88 PolarHBondContact O-N 3.43Å; L86-E89 PolarHBondContact O-N 3.21Å; L86-M90 VanDerWaalsContact O-CG 3.24Å; L86-M90 WeakPolarHBondContact O-CG 3.36Å; L86-M90 PolarHBondContact O-N 3.07Å; L86-I114 HydrophobicContact CB-CD1 4.08Å; L86-I114 HydrophobicContact CD2-CD1 3.61Å; L86-I114 HydrophobicContact CD2-CG1 4.3Å; L86-I114 HydrophobicContact CG-CD1 4.38Å; L86-L117 HydrophobicContact CD2-CD2 4.01Å; L86-Q118 HydrophobicContact CD1-CG 4.43Å; L86-Q118 HydrophobicContact CD2-CG 4.36Å; L86-F130 HydrophobicContact CD1-CB 4.05Å; L86-F130 HydrophobicContact CD1-CD1 4.11Å; L86-F130 HydrophobicContact CD1-CG 4.02Å; L86-F130 HydrophobicContact CD2-CD1 4.08Å; L86-F130 HydrophobicContact CD2-CD2 4.03Å; L86-F130 HydrophobicContact CD2-CE1 3.99Å; L86-F130 HydrophobicContact CD2-CE2 3.93Å; L86-F130 HydrophobicContact CD2-CG 4.09Å; L86-F130 HydrophobicContact CD2-CZ 3.92Å; L86-F130 HydrophobicContact CG-CD1 4.02Å; L86-F130 HydrophobicContact CG-CE1 4.19Å; L86-F130 HydrophobicContact CG-CG 4.28Å; L86-V132 HydrophobicContact CD1-CB 4.41Å; L86-M134 HydrophobicContact CB-CE 3.5Å; L86-M134 HydrophobicContact CB-SD 4.48Å; L86-M134 HydrophobicContact CD1-CE 3.74Å; L86-M134 HydrophobicContact CG-CE 4.26Å
87I97.5Very high97.1Very high4 Ų448.2 Ų48.22%0.02125%0.254CS..Hα-helixtrans-58.9-44.5176.4-69.3157.5000111.6Y66 I68 V76 A83 M90 R91 M134Y66-I87 HydrophobicContact CD1-CD1 3.98Å; Y66-I87 HydrophobicContact CD2-CD1 3.29Å; Y66-I87 HydrophobicContact CD2-CG1 4.29Å; Y66-I87 HydrophobicContact CE1-CD1 4.15Å; Y66-I87 HydrophobicContact CE2-CD1 3.48Å; Y66-I87 VanDerWaalsContact CE2-CD1 3.48Å; Y66-I87 HydrophobicContact CG-CD1 3.53Å; Y66-I87 HydrophobicContact CG-CG1 4.32Å; Y66-I87 HydrophobicContact CG-CG2 4.43Å; I68-I87 HydrophobicContact CD1-CG2 3.98Å; V76-I87 HydrophobicContact CG1-CD1 4.11Å; A83-I87 HydrophobicContact CB-CD1 4.35Å; A83-I87 WeakPolarHBondContact O-CB 3.47Å; A83-I87 VanDerWaalsContact O-CD1 3.31Å; A83-I87 WeakPolarHBondContact O-CD1 3.33Å; A83-I87 WeakPolarHBondContact O-CG1 3.35Å; A83-I87 PolarHBondContact O-N 2.77Å; I87-M90 HydrophobicContact CB-CE 4.33Å; I87-M90 HydrophobicContact CG1-CE 3.94Å; I87-M90 PolarHBondContact O-N 3.11Å; I87-R91 WeakPolarHBondContact O-CG 3.38Å; I87-R91 PolarHBondContact O-N 2.77Å; I87-R91 VanDerWaalsContact O-N 3.07Å; I87-M134 HydrophobicContact CG1-CE 4.4Å
88N97.5Very high97.1Very high91 Ų9151.2 Ų51.249%0.48727%0.27SS..Hα-helixtrans-64.6-42.5178.2-172.264.3000111.7T84 V85 L86 R91 L92T84-N88 WeakPolarHBondContact O-CB 3.29Å; T84-N88 PolarHBondContact O-N 2.96Å; T84-N88 VanDerWaalsContact O-N 3.09Å; V85-N88 PolarHBondContact O-N 2.85Å; L86-N88 VanDerWaalsContact C-N 3.33Å; L86-N88 PolarHBondContact O-N 3.43Å; N88-R91 PolarHBondContact O-N 2.87Å; N88-L92 WeakPolarHBondContact O-CG 2.98Å; N88-L92 PolarHBondContact O-N 2.65Å; N88-L92 VanDerWaalsContact O-N 3.11Å
89E98.2Very high97.2Very high58 Ų5856.6 Ų56.627%0.27129%0.294SS..Hα-helixtrans-63.4-42.3176.7-172.458.4-152.400111.7V85 L86 R91 L92 I93 R96 L117V85-E89 PolarHBondContact O-N 3.16Å; V85-E89 VanDerWaalsContact O-N 3.08Å; L86-E89 PolarHBondContact O-N 3.21Å; E89-R91 VanDerWaalsContact C-N 3.32Å; E89-R91 PolarHBondContact O-N 3.47Å; E89-L92 WeakPolarHBondContact O-CB 2.97Å; E89-L92 PolarHBondContact O-N 2.82Å; E89-L92 VanDerWaalsContact O-N 3.11Å; E89-I93 HydrophobicContact CG-CD1 3.82Å; E89-I93 HydrophobicContact CG-CG1 4.34Å; E89-I93 VanDerWaalsContact O-CG1 3.3Å; E89-I93 WeakPolarHBondContact O-CG1 3.43Å; E89-I93 PolarHBondContact O-N 2.81Å; E89-R96 IonicContact OE1-CZ 3.95Å; E89-R96 IonicContact OE1-NH2 2.8Å; E89-R96 PolarHBondContact OE1-NH2 2.77Å; E89-L117 HydrophobicContact CB-CD2 4.46Å; E89-L117 HydrophobicContact CG-CD2 3.94Å
90M98.4Very high97.4Very high0 Ų057.4 Ų57.40%031%0.306CS..Hα-helixtrans-60.6-40.6176.6-70.5-176.2-60.300112.4I68 L86 I87 L92 I93 A94 L110 I114 M134 F136I68-M90 HydrophobicContact CD1-CB 4.27Å; I68-M90 HydrophobicContact CD1-CE 3.87Å; I68-M90 HydrophobicContact CG2-CB 3.93Å; L86-M90 VanDerWaalsContact O-CG 3.24Å; L86-M90 WeakPolarHBondContact O-CG 3.36Å; L86-M90 PolarHBondContact O-N 3.07Å; I87-M90 HydrophobicContact CB-CE 4.33Å; I87-M90 HydrophobicContact CG1-CE 3.94Å; I87-M90 PolarHBondContact O-N 3.11Å; M90-L92 VanDerWaalsContact C-N 3.34Å; M90-L92 PolarHBondContact O-N 3.15Å; M90-I93 PolarHBondContact O-N 2.7Å; M90-A94 WeakPolarHBondContact O-CB 3.49Å; M90-A94 PolarHBondContact O-N 3.1Å; M90-L110 HydrophobicContact CB-CD1 4.18Å; M90-L110 HydrophobicContact CG-CD1 4.46Å; M90-I114 HydrophobicContact CG-CB 4.07Å; M90-I114 HydrophobicContact CG-CD1 3.75Å; M90-I114 HydrophobicContact CG-CG1 3.86Å; M90-I114 HydrophobicContact SD-CB 4.17Å; M90-I114 HydrophobicContact SD-CD1 4.32Å; M90-I114 HydrophobicContact SD-CG1 3.85Å; M90-I114 HydrophobicContact SD-CG2 4.23Å; M90-M134 HydrophobicContact CE-CE 4.11Å; M90-M134 HydrophobicContact CE-SD 3.57Å; M90-M134 VanDerWaalsContact CE-SD 3.57Å; M90-M134 HydrophobicContact SD-SD 4.2Å; M90-F136 HydrophobicContact CE-CE1 4.19Å; M90-F136 HydrophobicContact CE-CZ 4.33Å; M90-F136 HydrophobicContact SD-CE1 3.28Å; M90-F136 WeakPolarHBondContact SD-CE1 3.26Å; M90-F136 HydrophobicContact SD-CZ 3.47Å; M90-F136 WeakPolarHBondContact SD-CZ 3.48Å
91R98.3Very high97.6Very high101 Ų10161.3 Ų61.338%0.38131%0.314SS..Hα-helixtrans-60.9-43.4173.7-73.2169.3173.9165.5-0.5111.4K67 I68 I87 N88 E89 Q95K67-R91 PolarHBondContact O-NE 2.86Å; K67-R91 VanDerWaalsContact O-NE 3.12Å; K67-R91 PolarHBondContact O-NH2 2.94Å; I68-R91 HydrophobicContact CG2-CG 4.3Å; I87-R91 WeakPolarHBondContact O-CG 3.38Å; I87-R91 PolarHBondContact O-N 2.77Å; I87-R91 VanDerWaalsContact O-N 3.07Å; N88-R91 PolarHBondContact O-N 2.87Å; E89-R91 VanDerWaalsContact C-N 3.32Å; E89-R91 PolarHBondContact O-N 3.47Å; R91-Q95 WeakPolarHBondContact O-CB 3.13Å; R91-Q95 VanDerWaalsContact O-CG 3.3Å; R91-Q95 WeakPolarHBondContact O-CG 3.43Å; R91-Q95 PolarHBondContact O-N 3.23Å; R91-Q95 VanDerWaalsContact O-N 3.09Å
92L98.4Very high97.7Very high85 Ų8565.2 Ų65.245%0.44532%0.321SS..Hα-helixtrans-65.4-43.2176.5-68.8174.3000112.3N88 E89 M90 R96N88-L92 WeakPolarHBondContact O-CG 2.98Å; N88-L92 PolarHBondContact O-N 2.65Å; N88-L92 VanDerWaalsContact O-N 3.11Å; E89-L92 WeakPolarHBondContact O-CB 2.97Å; E89-L92 PolarHBondContact O-N 2.82Å; E89-L92 VanDerWaalsContact O-N 3.11Å; M90-L92 VanDerWaalsContact C-N 3.34Å; M90-L92 PolarHBondContact O-N 3.15Å; L92-R96 WeakPolarHBondContact O-CB 3.35Å; L92-R96 VanDerWaalsContact O-CG 3.25Å; L92-R96 WeakPolarHBondContact O-CG 3.49Å; L92-R96 PolarHBondContact O-N 3.27Å; L92-R96 PolarHBondContact O-NE 2.95Å
93I98.2Very high97.7Very high18 Ų1868.6 Ų68.69%0.09234%0.336CS..Hα-helixtrans-60.8-50.5177-67.3163.1000110.2E89 M90 Q95 R96 Y97 M105 L110 H113E89-I93 HydrophobicContact CG-CD1 3.82Å; E89-I93 HydrophobicContact CG-CG1 4.34Å; E89-I93 VanDerWaalsContact O-CG1 3.3Å; E89-I93 WeakPolarHBondContact O-CG1 3.43Å; E89-I93 PolarHBondContact O-N 2.81Å; M90-I93 PolarHBondContact O-N 2.7Å; I93-Q95 VanDerWaalsContact C-N 3.33Å; I93-Q95 PolarHBondContact O-N 2.94Å; I93-R96 VanDerWaalsContact CG1-NH2 3.32Å; I93-R96 PolarHBondContact O-N 3.34Å; I93-Y97 PolarHBondContact O-N 3.44Å; I93-M105 HydrophobicContact CG2-CE 3.64Å; I93-M105 HydrophobicContact CG2-SD 3.82Å; I93-L110 HydrophobicContact CB-CD1 4.1Å; I93-L110 HydrophobicContact CG2-CD1 3.9Å; I93-H113 HydrophobicContact CD1-CB 4.08Å; I93-H113 HydrophobicContact CG2-CB 4.16Å
94A98.2Very high97.6Very high1 Ų171.3 Ų71.31%0.00835%0.354CS..Hα-helixtrans-59.5-42.4-179.100000112.5I68 N69 M90 L98 L110I68-A94 HydrophobicContact CG2-CB 4.35Å; N69-A94 HydrophobicContact CB-CB 4.3Å; M90-A94 WeakPolarHBondContact O-CB 3.49Å; M90-A94 PolarHBondContact O-N 3.1Å; A94-L98 PolarHBondContact O-N 3.19Å; A94-L98 VanDerWaalsContact O-N 3.12Å; A94-L110 HydrophobicContact CB-CD1 4.33Å
95Q98.3Very high97.8Very high101 Ų10167.7 Ų67.747%0.47233%0.331SS..Hα-helixtrans-73.3-35.1178.4-67.2-57.9-48.800112.8R91 I93 L98 L99R91-Q95 WeakPolarHBondContact O-CB 3.13Å; R91-Q95 VanDerWaalsContact O-CG 3.3Å; R91-Q95 WeakPolarHBondContact O-CG 3.43Å; R91-Q95 PolarHBondContact O-N 3.23Å; R91-Q95 VanDerWaalsContact O-N 3.09Å; I93-Q95 VanDerWaalsContact C-N 3.33Å; I93-Q95 PolarHBondContact O-N 2.94Å; Q95-L98 PolarHBondContact O-N 3.39Å; Q95-L99 WeakPolarHBondContact O-CB 3.47Å; Q95-L99 PolarHBondContact O-N 3.27Å
96R98.4Very high97.8Very high133 Ų13364.3 Ų64.350%0.50231%0.311SS..Hα-helixtrans-62.4-43.5172.7-78.9-177.9-68.9-169.2-3.5111.5E89 L92 I93 L99 S100E89-R96 IonicContact OE1-CZ 3.95Å; E89-R96 IonicContact OE1-NH2 2.8Å; E89-R96 PolarHBondContact OE1-NH2 2.77Å; L92-R96 WeakPolarHBondContact O-CB 3.35Å; L92-R96 VanDerWaalsContact O-CG 3.25Å; L92-R96 WeakPolarHBondContact O-CG 3.49Å; L92-R96 PolarHBondContact O-N 3.27Å; L92-R96 PolarHBondContact O-NE 2.95Å; I93-R96 VanDerWaalsContact CG1-NH2 3.32Å; I93-R96 PolarHBondContact O-N 3.34Å; R96-L99 PolarHBondContact O-N 3.18Å; R96-S100 PolarHBondContact O-N 3.12Å; R96-S100 PolarHBondContact O-OG 3.32Å
97Y98.4Very high97.8Very high26 Ų2664.3 Ų64.310%0.10231%0.311CS..Hα-helixtrans-59.1-49.1175.2-174.5-78.4000111.1I93 L99 S100 Y101 E103 M105I93-Y97 PolarHBondContact O-N 3.44Å; Y97-L99 VanDerWaalsContact C-N 3.32Å; Y97-L99 PolarHBondContact O-N 2.86Å; Y97-S100 PolarHBondContact O-N 3Å; Y97-Y101 AromaticContact CD1-CD2 3.95Å; Y97-Y101 HydrophobicContact CD1-CD2 3.95Å; Y97-Y101 AromaticContact CD2-CD2 3.59Å; Y97-Y101 HydrophobicContact CD2-CD2 3.59Å; Y97-Y101 AromaticContact CD2-CE2 3.78Å; Y97-Y101 HydrophobicContact CD2-CE2 3.78Å; Y97-Y101 AromaticContact CE1-CD2 3.86Å; Y97-Y101 HydrophobicContact CE1-CD2 3.86Å; Y97-Y101 HydrophobicContact CE1-CG 4.21Å; Y97-Y101 AromaticContact CE2-CD2 3.49Å; Y97-Y101 HydrophobicContact CE2-CD2 3.49Å; Y97-Y101 VanDerWaalsContact CE2-CD2 3.49Å; Y97-Y101 AromaticContact CE2-CE2 3.7Å; Y97-Y101 HydrophobicContact CE2-CE2 3.7Å; Y97-Y101 HydrophobicContact CE2-CG 4.34Å; Y97-Y101 AromaticContact CG-CD2 3.81Å; Y97-Y101 HydrophobicContact CG-CD2 3.81Å; Y97-Y101 HydrophobicContact CG-CE2 4.39Å; Y97-Y101 AromaticContact CZ-CD2 3.63Å; Y97-Y101 WeakPolarHBondContact O-CD2 3.42Å; Y97-Y101 PolarHBondContact O-N 2.78Å; Y97-E103 WeakPolarHBondContact CD1-O 3.28Å; Y97-E103 HydrophobicContact CE1-CG 3.9Å; Y97-E103 PolarHBondContact OH-OE1 2.95Å; Y97-M105 VanDerWaalsContact CD1-CA 3.43Å; Y97-M105 HydrophobicContact CD1-CB 3.65Å; Y97-M105 HydrophobicContact CD1-CG 4Å; Y97-M105 HydrophobicContact CD2-CB 4.39Å; Y97-M105 HydrophobicContact CD2-CE 4.2Å; Y97-M105 HydrophobicContact CD2-CG 3.82Å; Y97-M105 HydrophobicContact CD2-SD 4.38Å; Y97-M105 HydrophobicContact CE1-CB 4.28Å; Y97-M105 HydrophobicContact CE2-CG 4.37Å; Y97-M105 HydrophobicContact CG-CB 3.72Å; Y97-M105 HydrophobicContact CG-CG 3.63Å; Y97-M105 HydrophobicContact CG-SD 4.2Å
98L97.8Very high97.9Very high64 Ų6467.7 Ų67.734%0.33533%0.327SS..Hα-helixtrans-58.8-42.8177.9179.262.4000111.9A94 Q95 S100 Q102 E103A94-L98 PolarHBondContact O-N 3.19Å; A94-L98 VanDerWaalsContact O-N 3.12Å; Q95-L98 PolarHBondContact O-N 3.39Å; L98-S100 PolarHBondContact O-N 3.01Å; L98-Q102 VanDerWaalsContact O-CA 3.22Å; L98-Q102 WeakPolarHBondContact O-CA 3.5Å; L98-Q102 PolarHBondContact O-N 3.35Å; L98-Q102 PolarHBondContact O-NE2 2.94Å; L98-E103 WeakPolarHBondContact CD1-O 3.36Å
99L98.2Very high97.9Very high129 Ų12966.5 Ų66.568%0.67532%0.318SS*.Hα-helixtrans-60.4-44176.717863000111.9Q95 R96 Y97 Q102Q95-L99 WeakPolarHBondContact O-CB 3.47Å; Q95-L99 PolarHBondContact O-N 3.27Å; R96-L99 PolarHBondContact O-N 3.18Å; Y97-L99 VanDerWaalsContact C-N 3.32Å; Y97-L99 PolarHBondContact O-N 2.86Å; L99-Q102 PolarHBondContact O-NE2 2.91Å
100S98.3Very high97.9Very high90 Ų9063.8 Ų63.863%0.62931%0.305SS*.Hα-helixtrans-75.9-40.5-176.6-660000114R96 Y97 L98R96-S100 PolarHBondContact O-N 3.12Å; R96-S100 PolarHBondContact O-OG 3.32Å; Y97-S100 PolarHBondContact O-N 3Å; L98-S100 PolarHBondContact O-N 3.01Å
101Y97.8Very high97.9Very high150 Ų15063.8 Ų63.859%0.58831%0.305SS*.Hα-helixtrans-109.1-8.9-170.8-61.8-72.4000114.2Y97 E103Y97-Y101 AromaticContact CD1-CD2 3.95Å; Y97-Y101 HydrophobicContact CD1-CD2 3.95Å; Y97-Y101 AromaticContact CD2-CD2 3.59Å; Y97-Y101 HydrophobicContact CD2-CD2 3.59Å; Y97-Y101 AromaticContact CD2-CE2 3.78Å; Y97-Y101 HydrophobicContact CD2-CE2 3.78Å; Y97-Y101 AromaticContact CE1-CD2 3.86Å; Y97-Y101 HydrophobicContact CE1-CD2 3.86Å; Y97-Y101 HydrophobicContact CE1-CG 4.21Å; Y97-Y101 AromaticContact CE2-CD2 3.49Å; Y97-Y101 HydrophobicContact CE2-CD2 3.49Å; Y97-Y101 VanDerWaalsContact CE2-CD2 3.49Å; Y97-Y101 AromaticContact CE2-CE2 3.7Å; Y97-Y101 HydrophobicContact CE2-CE2 3.7Å; Y97-Y101 HydrophobicContact CE2-CG 4.34Å; Y97-Y101 AromaticContact CG-CD2 3.81Å; Y97-Y101 HydrophobicContact CG-CD2 3.81Å; Y97-Y101 HydrophobicContact CG-CE2 4.39Å; Y97-Y101 AromaticContact CZ-CD2 3.63Å; Y97-Y101 WeakPolarHBondContact O-CD2 3.42Å; Y97-Y101 PolarHBondContact O-N 2.78Å; Y101-E103 PolarHBondContact O-N 2.99Å; Y101-E103 VanDerWaalsContact O-N 3.16Å
102Q97.3Very high97.9Very high149 Ų14961.2 Ų61.270%0.69630%0.303SS*.SBendtrans56.227.6-179.4-60.1-63.1-47.900113.8L98 L99L98-Q102 VanDerWaalsContact O-CA 3.22Å; L98-Q102 WeakPolarHBondContact O-CA 3.5Å; L98-Q102 PolarHBondContact O-N 3.35Å; L98-Q102 PolarHBondContact O-NE2 2.94Å; L99-Q102 PolarHBondContact O-NE2 2.91Å
103E95.9Very high97.9Very high79 Ų7961.7 Ų61.737%0.36930%0.302SS..SBendtrans-140.1153.7173.170.9176.3-176.400109.8Y97 L98 Y101Y97-E103 WeakPolarHBondContact CD1-O 3.28Å; Y97-E103 HydrophobicContact CE1-CG 3.9Å; Y97-E103 PolarHBondContact OH-OE1 2.95Å; L98-E103 WeakPolarHBondContact CD1-O 3.36Å; Y101-E103 PolarHBondContact O-N 2.99Å; Y101-E103 VanDerWaalsContact O-N 3.16Å
104P95.5Very high97.9Very high58 Ų5860.8 Ų60.838%0.37730%0.298SS..PPolyproline II helixtrans-62.7141176.826.1-34000111D71D71-P104 WeakPolarHBondContact OD2-CB 3.39Å
105M97.5Very high97.9Very high4 Ų460.9 Ų60.92%0.0230%0.298CS..PPolyproline II helixtrans-64.1129.5179.7-169174.9-16900111.3I93 Y97 Q109 L110 H113I93-M105 HydrophobicContact CG2-CE 3.64Å; I93-M105 HydrophobicContact CG2-SD 3.82Å; Y97-M105 VanDerWaalsContact CD1-CA 3.43Å; Y97-M105 HydrophobicContact CD1-CB 3.65Å; Y97-M105 HydrophobicContact CD1-CG 4Å; Y97-M105 HydrophobicContact CD2-CB 4.39Å; Y97-M105 HydrophobicContact CD2-CE 4.2Å; Y97-M105 HydrophobicContact CD2-CG 3.82Å; Y97-M105 HydrophobicContact CD2-SD 4.38Å; Y97-M105 HydrophobicContact CE1-CB 4.28Å; Y97-M105 HydrophobicContact CE2-CG 4.37Å; Y97-M105 HydrophobicContact CG-CB 3.72Å; Y97-M105 HydrophobicContact CG-CG 3.63Å; Y97-M105 HydrophobicContact CG-SD 4.2Å; M105-Q109 HydrophobicContact CE-CB 3.84Å; M105-Q109 HydrophobicContact CG-CB 4.46Å; M105-L110 HydrophobicContact CE-CB 4.17Å; M105-L110 HydrophobicContact CG-CB 4.48Å; M105-L110 HydrophobicContact SD-CB 3.84Å; M105-L110 HydrophobicContact SD-CD1 3.85Å; M105-L110 HydrophobicContact SD-CG 4.45Å; M105-H113 VanDerWaalsContact CE-CD2 3.42Å; M105-H113 WeakPolarHBondContact CE-CD2 3.47Å
106P97.9Very high97.9Very high9 Ų960.7 Ų60.76%0.05830%0.301CS..PPolyproline II helixtrans-57.6144.4171.1-24.334.1000112E108 Q109 L110P106-E108 PolarHBondContact O-N 2.71Å; P106-Q109 HydrophobicContact CB-CB 4.47Å; P106-Q109 HydrophobicContact CB-CG 4.19Å; P106-Q109 HydrophobicContact CG-CG 4.42Å; P106-Q109 PolarHBondContact O-N 2.83Å; P106-L110 PolarHBondContact O-N 2.82Å
107V98.2Very high97.8Very high0 Ų057.1 Ų57.10%029%0.291CS..Hα-helixtrans-61.6-49.3-171.4-171.90000110.9I72 Q109 L110 V111 D140 Q146 Y148I72-V107 HydrophobicContact CD1-CG2 4.36Å; I72-V107 HydrophobicContact CG1-CG2 4.24Å; V107-Q109 VanDerWaalsContact C-N 3.28Å; V107-Q109 PolarHBondContact O-N 2.86Å; V107-L110 PolarHBondContact O-N 2.88Å; V107-V111 WeakPolarHBondContact O-CG2 3.49Å; V107-V111 PolarHBondContact O-N 2.92Å; V107-V111 VanDerWaalsContact O-N 3.15Å; V107-D140 HydrophobicContact CG2-CB 4.42Å; V107-D140 PolarHBondContact N-OD2 3Å; V107-Q146 HydrophobicContact CB-CB 4.41Å; V107-Q146 HydrophobicContact CG1-CB 4.41Å; V107-Q146 HydrophobicContact CG2-CB 4.5Å; V107-Y148 HydrophobicContact CB-CE2 4.43Å; V107-Y148 HydrophobicContact CG1-CD2 3.95Å; V107-Y148 HydrophobicContact CG1-CE2 4.19Å
108E98.4Very high97.8Very high75 Ų7555.9 Ų55.935%0.3529%0.286SS..Hα-helixtrans-58.7-37.9-179.6-169.7176.3-172.800112.9P106 L110 V111 C112 Y148 F156P106-E108 PolarHBondContact O-N 2.71Å; E108-L110 PolarHBondContact O-N 3.43Å; E108-V111 PolarHBondContact O-N 3.33Å; E108-C112 WeakPolarHBondContact O-CB 3.14Å; E108-C112 PolarHBondContact O-N 2.89Å; E108-Y148 HydrophobicContact CB-CE2 4.11Å; E108-Y148 WeakPolarHBondContact CB-OH 3.26Å; E108-Y148 HydrophobicContact CG-CE1 4.21Å; E108-Y148 WeakPolarHBondContact CG-OH 3.38Å; E108-F156 HydrophobicContact CG-CE2 4.13Å; E108-F156 HydrophobicContact CG-CZ 4.46Å
109Q98.2Very high97.8Very high67 Ų6756.7 Ų56.731%0.31329%0.288SS..Hα-helixtrans-65.6-41.7179.7-69.5-171.3-2.800111.4M105 P106 V107 V111 C112 H113M105-Q109 HydrophobicContact CE-CB 3.84Å; M105-Q109 HydrophobicContact CG-CB 4.46Å; P106-Q109 HydrophobicContact CB-CB 4.47Å; P106-Q109 HydrophobicContact CB-CG 4.19Å; P106-Q109 HydrophobicContact CG-CG 4.42Å; P106-Q109 PolarHBondContact O-N 2.83Å; V107-Q109 VanDerWaalsContact C-N 3.28Å; V107-Q109 PolarHBondContact O-N 2.86Å; Q109-V111 VanDerWaalsContact C-N 3.3Å; Q109-V111 PolarHBondContact O-N 2.9Å; Q109-C112 PolarHBondContact O-N 2.91Å; Q109-H113 PolarHBondContact O-CD2 3.48Å; Q109-H113 PolarHBondContact O-N 2.93Å
110L98.5Very high97.8Very high0 Ų050.7 Ų50.70%026%0.258CS..Hα-helixtrans-61-44.1176179.971.4000110.7I68 I72 M90 I93 A94 M105 P106 V107 E108 H113 I114I68-L110 HydrophobicContact CG2-CD2 3.91Å; I72-L110 HydrophobicContact CD1-CB 4.33Å; I72-L110 HydrophobicContact CD1-CD2 3.71Å; I72-L110 HydrophobicContact CG2-CD2 3.92Å; M90-L110 HydrophobicContact CB-CD1 4.18Å; M90-L110 HydrophobicContact CG-CD1 4.46Å; I93-L110 HydrophobicContact CB-CD1 4.1Å; I93-L110 HydrophobicContact CG2-CD1 3.9Å; A94-L110 HydrophobicContact CB-CD1 4.33Å; M105-L110 HydrophobicContact CE-CB 4.17Å; M105-L110 HydrophobicContact CG-CB 4.48Å; M105-L110 HydrophobicContact SD-CB 3.84Å; M105-L110 HydrophobicContact SD-CD1 3.85Å; M105-L110 HydrophobicContact SD-CG 4.45Å; P106-L110 PolarHBondContact O-N 2.82Å; V107-L110 PolarHBondContact O-N 2.88Å; E108-L110 PolarHBondContact O-N 3.43Å; L110-H113 PolarHBondContact O-N 2.86Å; L110-I114 PolarHBondContact O-N 3.45Å; L110-I114 VanDerWaalsContact O-N 3.12Å
111V98.5Very high97.7Very high0 Ų049.2 Ų49.20%024%0.239CC..Hα-helixtrans-62.2-43.2178.4177.10000111V107 E108 Q109 I114 C115 F136 Y148 T150 F156V107-V111 WeakPolarHBondContact O-CG2 3.49Å; V107-V111 PolarHBondContact O-N 2.92Å; V107-V111 VanDerWaalsContact O-N 3.15Å; E108-V111 PolarHBondContact O-N 3.33Å; Q109-V111 VanDerWaalsContact C-N 3.3Å; Q109-V111 PolarHBondContact O-N 2.9Å; V111-I114 WeakPolarHBondContact O-CG2 3.5Å; V111-I114 PolarHBondContact O-N 3.14Å; V111-C115 WeakPolarHBondContact O-CB 3.34Å; V111-C115 PolarHBondContact O-N 3.14Å; V111-C115 PolarHBondContact O-SG 3.39Å; V111-F136 HydrophobicContact CG2-CB 4.02Å; V111-F136 HydrophobicContact CG2-CD1 3.91Å; V111-F136 HydrophobicContact CG2-CD2 3.89Å; V111-F136 HydrophobicContact CG2-CE1 4.36Å; V111-F136 HydrophobicContact CG2-CE2 4.37Å; V111-F136 HydrophobicContact CG2-CG 3.65Å; V111-Y148 HydrophobicContact CG1-CG 4.39Å; V111-Y148 HydrophobicContact CG2-CD2 4.11Å; V111-Y148 HydrophobicContact CG2-CG 4.08Å; V111-T150 HydrophobicContact CG1-CG2 3.74Å; V111-F156 HydrophobicContact CG1-CB 3.65Å; V111-F156 HydrophobicContact CG1-CD1 4.24Å; V111-F156 HydrophobicContact CG1-CD2 3.61Å; V111-F156 HydrophobicContact CG1-CE2 4.3Å; V111-F156 HydrophobicContact CG1-CG 3.58Å
112C98.2Very high97.6Very high48 Ų4842.4 Ų42.432%0.32421%0.213SC..Hα-helixtrans-61.4-47.7177.1-170.60000111.5E108 Q109 I114 C115 D116 F156E108-C112 WeakPolarHBondContact O-CB 3.14Å; E108-C112 PolarHBondContact O-N 2.89Å; Q109-C112 PolarHBondContact O-N 2.91Å; C112-I114 VanDerWaalsContact C-N 3.34Å; C112-I114 PolarHBondContact O-N 3.44Å; C112-C115 WeakPolarHBondContact O-CB 3.43Å; C112-C115 PolarHBondContact O-N 3.18Å; C112-C115 VanDerWaalsContact O-N 3.14Å; C112-D116 PolarHBondContact O-N 3.38Å; C112-F156 HydrophobicContact CB-CE1 4.22Å; C112-F156 HydrophobicContact CB-CZ 4.3Å
113H97.9Very high97.5Very high94 Ų9440.7 Ų40.744%0.43521%0.206SC..Hα-helixtrans-60.6-39.2178.6-83.1-71.2000113.6I93 M105 Q109 L110 L117I93-H113 HydrophobicContact CD1-CB 4.08Å; I93-H113 HydrophobicContact CG2-CB 4.16Å; M105-H113 VanDerWaalsContact CE-CD2 3.42Å; M105-H113 WeakPolarHBondContact CE-CD2 3.47Å; Q109-H113 PolarHBondContact O-CD2 3.48Å; Q109-H113 PolarHBondContact O-N 2.93Å; L110-H113 PolarHBondContact O-N 2.86Å; H113-L117 PolarHBondContact O-N 2.87Å
114I98.1Very high97.3Very high0 Ų044.3 Ų44.30%022%0.217CC..Hα-helixtrans-72.4-33.9177.4-165.662.4000111.6L86 M90 L110 V111 C112 L117 Q118 F136L86-I114 HydrophobicContact CB-CD1 4.08Å; L86-I114 HydrophobicContact CD2-CD1 3.61Å; L86-I114 HydrophobicContact CD2-CG1 4.3Å; L86-I114 HydrophobicContact CG-CD1 4.38Å; M90-I114 HydrophobicContact CG-CB 4.07Å; M90-I114 HydrophobicContact CG-CD1 3.75Å; M90-I114 HydrophobicContact CG-CG1 3.86Å; M90-I114 HydrophobicContact SD-CB 4.17Å; M90-I114 HydrophobicContact SD-CD1 4.32Å; M90-I114 HydrophobicContact SD-CG1 3.85Å; M90-I114 HydrophobicContact SD-CG2 4.23Å; L110-I114 PolarHBondContact O-N 3.45Å; L110-I114 VanDerWaalsContact O-N 3.12Å; V111-I114 WeakPolarHBondContact O-CG2 3.5Å; V111-I114 PolarHBondContact O-N 3.14Å; C112-I114 VanDerWaalsContact C-N 3.34Å; C112-I114 PolarHBondContact O-N 3.44Å; I114-L117 HydrophobicContact CD1-CD2 4.03Å; I114-L117 WeakPolarHBondContact O-CB 3.44Å; I114-L117 PolarHBondContact O-N 3.05Å; I114-Q118 WeakPolarHBondContact O-CG 3.23Å; I114-Q118 PolarHBondContact O-N 3.34Å; I114-F136 HydrophobicContact CG2-CZ 3.87Å
115C98.4Very high97.1Very high2 Ų244.5 Ų44.51%0.01423%0.23CC..Hα-helixtrans-66.6-40.7175.2-73.80000112.3V111 C112 L117 Q118 H119 T150 G154 F156V111-C115 WeakPolarHBondContact O-CB 3.34Å; V111-C115 PolarHBondContact O-N 3.14Å; V111-C115 PolarHBondContact O-SG 3.39Å; C112-C115 WeakPolarHBondContact O-CB 3.43Å; C112-C115 PolarHBondContact O-N 3.18Å; C112-C115 VanDerWaalsContact O-N 3.14Å; C115-L117 VanDerWaalsContact C-N 3.27Å; C115-L117 PolarHBondContact O-N 2.97Å; C115-Q118 PolarHBondContact O-N 3.41Å; C115-H119 VanDerWaalsContact O-CB 3.3Å; C115-H119 WeakPolarHBondContact O-CB 3.28Å; C115-H119 PolarHBondContact O-N 2.79Å; C115-T150 WeakPolarHBondContact SG-CG2 3.43Å; C115-G154 VanDerWaalsContact CB-O 3.3Å; C115-G154 WeakPolarHBondContact CB-O 3.41Å; C115-F156 HydrophobicContact CB-CD1 4Å
116D98.2Very high96.8Very high98 Ų9846.8 Ų46.852%0.52426%0.255SS..Hα-helixtrans-59.3-40.1173.2-74.8-19.2000111.6C112 G120C112-D116 PolarHBondContact O-N 3.38Å; D116-G120 PolarHBondContact O-N 2.86Å
117L97.4Very high96.5Very high57 Ų5753.3 Ų53.330%0.29828%0.278SS..Hα-helixtrans-63.9-47.6174.6178.864.9000111.5L86 E89 H113 I114 C115 G120 Y121L86-L117 HydrophobicContact CD2-CD2 4.01Å; E89-L117 HydrophobicContact CB-CD2 4.46Å; E89-L117 HydrophobicContact CG-CD2 3.94Å; H113-L117 PolarHBondContact O-N 2.87Å; I114-L117 HydrophobicContact CD1-CD2 4.03Å; I114-L117 WeakPolarHBondContact O-CB 3.44Å; I114-L117 PolarHBondContact O-N 3.05Å; C115-L117 VanDerWaalsContact C-N 3.27Å; C115-L117 PolarHBondContact O-N 2.97Å; L117-G120 PolarHBondContact O-N 2.8Å; L117-Y121 HydrophobicContact CD1-CD2 4.47Å; L117-Y121 HydrophobicContact CD1-CE2 3.98Å; L117-Y121 WeakPolarHBondContact O-CD2 3.36Å
118Q97.8Very high96.4Very high1 Ų159.4 Ų59.41%0.00530%0.301CS..Hα-helixtrans-60.5-46.6177.1-70.5-178.9-8100110.8L86 I114 C115 G120 Y121 F130 V132 D151L86-Q118 HydrophobicContact CD1-CG 4.43Å; L86-Q118 HydrophobicContact CD2-CG 4.36Å; I114-Q118 WeakPolarHBondContact O-CG 3.23Å; I114-Q118 PolarHBondContact O-N 3.34Å; C115-Q118 PolarHBondContact O-N 3.41Å; Q118-G120 VanDerWaalsContact C-N 3.32Å; Q118-G120 PolarHBondContact O-N 3.29Å; Q118-Y121 WeakPolarHBondContact O-CB 3.37Å; Q118-Y121 PolarHBondContact O-N 3.06Å; Q118-Y121 VanDerWaalsContact O-N 3.13Å; Q118-F130 HydrophobicContact CG-CD2 4.24Å; Q118-V132 PolarHBondContact NE2-O 2.87Å; Q118-D151 PolarHBondContact NE2-O 3.05Å
119H97.7Very high96.3Very high80 Ų8056.1 Ų56.137%0.3729%0.287SS..Hα-helixtrans-60.3-40.5179.1-176.138.1000111.9C115 Y121 T122 M123C115-H119 VanDerWaalsContact O-CB 3.3Å; C115-H119 WeakPolarHBondContact O-CB 3.28Å; C115-H119 PolarHBondContact O-N 2.79Å; H119-Y121 PolarHBondContact O-N 2.93Å; H119-T122 PolarHBondContact ND1-OG1 2.77Å; H119-T122 VanDerWaalsContact ND1-OG1 3.1Å; H119-T122 WeakPolarHBondContact O-CA 3.43Å; H119-T122 WeakPolarHBondContact O-CB 3.4Å; H119-T122 PolarHBondContact O-N 3.36Å; H119-T122 PolarHBondContact O-OG1 2.92Å; H119-M123 WeakPolarHBondContact NE2-CE 3.4Å; H119-M123 PolarHBondContact O-N 3.02Å
120G97.5Very high96.3Very high4 Ų453.6 Ų53.64%0.04128%0.275CS..Hα-helixtrans-53.7-38.9175.400000113.4D116 L117 Q118 T122 M123 Y124D116-G120 PolarHBondContact O-N 2.86Å; L117-G120 PolarHBondContact O-N 2.8Å; Q118-G120 VanDerWaalsContact C-N 3.32Å; Q118-G120 PolarHBondContact O-N 3.29Å; G120-T122 VanDerWaalsContact C-N 3.25Å; G120-T122 PolarHBondContact O-N 3.16Å; G120-M123 PolarHBondContact O-N 2.67Å; G120-Y124 PolarHBondContact O-N 2.89Å; G120-Y124 VanDerWaalsContact O-N 3.07Å
121Y96.5Very high96.3Very high59 Ų5953.8 Ų53.823%0.23128%0.276CS..Hα-helixtrans-72-16.1176.9-81.9-115.6000113.7L117 Q118 H119 R127 F130L117-Y121 HydrophobicContact CD1-CD2 4.47Å; L117-Y121 HydrophobicContact CD1-CE2 3.98Å; L117-Y121 WeakPolarHBondContact O-CD2 3.36Å; Q118-Y121 WeakPolarHBondContact O-CB 3.37Å; Q118-Y121 PolarHBondContact O-N 3.06Å; Q118-Y121 VanDerWaalsContact O-N 3.13Å; H119-Y121 PolarHBondContact O-N 2.93Å; Y121-R127 HydrophobicContact CD1-CB 3.77Å; Y121-R127 HydrophobicContact CE1-CB 4.07Å; Y121-R127 VanDerWaalsContact CE1-CD 3.49Å; Y121-R127 HydrophobicContact CE1-CG 4.42Å; Y121-R127 PolarHBondContact OH-NH1 2.86Å; Y121-F130 HydrophobicContact CD1-CD2 4.44Å; Y121-F130 AromaticContact CD1-CE2 3.93Å; Y121-F130 HydrophobicContact CD1-CE2 3.93Å; Y121-F130 HydrophobicContact CD1-CZ 4.39Å; Y121-F130 HydrophobicContact CD2-CD2 4.45Å; Y121-F130 AromaticContact CD2-CE2 3.66Å; Y121-F130 HydrophobicContact CD2-CE2 3.66Å; Y121-F130 HydrophobicContact CD2-CZ 4.45Å; Y121-F130 AromaticContact CE1-CE2 3.99Å; Y121-F130 HydrophobicContact CE1-CE2 3.99Å; Y121-F130 HydrophobicContact CE1-CZ 4.03Å; Y121-F130 AromaticContact CE2-CE2 3.73Å; Y121-F130 HydrophobicContact CE2-CE2 3.73Å; Y121-F130 HydrophobicContact CE2-CZ 4.09Å; Y121-F130 HydrophobicContact CG-CD2 4.23Å; Y121-F130 AromaticContact CG-CE2 3.77Å; Y121-F130 HydrophobicContact CG-CE2 3.77Å; Y121-F130 AromaticContact CZ-CE2 3.9Å; Y121-F130 AromaticContact CZ-CZ 3.87Å
122T96.4Very high96.3Very high7 Ų753.8 Ų53.84%0.04328%0.276CS..Hα-helixtrans-89.9-21.7175.473.90000112.9T10 V21 H119 G120 P129T10-T122 WeakPolarHBondContact CB-O 3.38Å; V21-T122 HydrophobicContact CG2-CG2 3.69Å; H119-T122 PolarHBondContact ND1-OG1 2.77Å; H119-T122 VanDerWaalsContact ND1-OG1 3.1Å; H119-T122 WeakPolarHBondContact O-CA 3.43Å; H119-T122 WeakPolarHBondContact O-CB 3.4Å; H119-T122 PolarHBondContact O-N 3.36Å; H119-T122 PolarHBondContact O-OG1 2.92Å; G120-T122 VanDerWaalsContact C-N 3.25Å; G120-T122 PolarHBondContact O-N 3.16Å; T122-P129 HydrophobicContact CG2-CB 4.37Å
123M94.3Very high96.3Very high112 Ų11251.9 Ų51.955%0.55226%0.263SS*.Hα-helixtrans-102.6-40.9-172.7-172.9-172.1-59.500113H119 G120H119-M123 WeakPolarHBondContact NE2-CE 3.4Å; H119-M123 PolarHBondContact O-N 3.02Å; G120-M123 PolarHBondContact O-N 2.67Å
124Y92.8Very high96.3Very high155 Ų15547.4 Ų47.461%0.60824%0.243SC*.SBendtrans-141.5171.5-172.860.6-99.1000112.9G120 G126G120-Y124 PolarHBondContact O-N 2.89Å; G120-Y124 VanDerWaalsContact O-N 3.07Å; Y124-G126 VanDerWaalsContact C-N 3.26Å; Y124-G126 PolarHBondContact O-N 2.99Å
125G90.6Very high96.3Very high63 Ų6347.4 Ų47.465%0.64924%0.243SC*.THydrogen-bonded Turntrans81.9-9.7177.400000115.3R127G125-R127 PolarHBondContact O-N 3.05Å
126G90.9Very high96.4Very high52 Ų5247.3 Ų47.354%0.53624%0.242SC..THydrogen-bonded Turntrans60.826.8176.500000113.6T9 Y124T9-G126 PolarHBondContact OG1-O 2.79Å; Y124-G126 VanDerWaalsContact C-N 3.26Å; Y124-G126 PolarHBondContact O-N 2.99Å
127R93Very high96.4Very high146 Ų14642.6 Ų42.655%0.55122%0.217SC*.PPolyproline II helixtrans-92.5156.2177.7-60.7-173.7-178.4-167.2-0.7109.5T9 Y121 G125T9-R127 WeakPolarHBondContact CB-O 3.49Å; T9-R127 PolarHBondContact OG1-N 2.88Å; T9-R127 PolarHBondContact OG1-O 3.28Å; Y121-R127 HydrophobicContact CD1-CB 3.77Å; Y121-R127 HydrophobicContact CE1-CB 4.07Å; Y121-R127 VanDerWaalsContact CE1-CD 3.49Å; Y121-R127 HydrophobicContact CE1-CG 4.42Å; Y121-R127 PolarHBondContact OH-NH1 2.86Å; G125-R127 PolarHBondContact O-N 3.05Å
128R95.3Very high96.4Very high127 Ų12739.9 Ų39.948%0.47920%0.203SC..PPolyproline II helixtrans-65.9147.2167.665.1166.8-174.879.3-4.3109.8D82D82-R128 IonicContact OD1-CZ 3.31Å; D82-R128 IonicContact OD1-NH1 3.6Å; D82-R128 PolarHBondContact OD1-NH1 2.93Å; D82-R128 IonicContact OD1-NH2 3.47Å; D82-R128 PolarHBondContact OD1-NH2 3.15Å; D82-R128 IonicContact OD2-CZ 2.72Å; D82-R128 IonicContact OD2-NH1 2.69Å; D82-R128 PolarHBondContact OD2-NH1 3.22Å; D82-R128 IonicContact OD2-NH2 3.44Å
129P97.4Very high96.4Very high7 Ų742 Ų425%0.04521%0.211CC..PPolyproline II helixtrans-65.8165.1171.828.8-34.4000111.3Q20 A24 T122Q20-P129 HydrophobicContact CB-CG 4.07Å; Q20-P129 WeakPolarHBondContact O-CG 2.85Å; A24-P129 HydrophobicContact CB-CG 4.15Å; T122-P129 HydrophobicContact CG2-CB 4.37Å
130F98.1Very high96.4Very high14 Ų1438.9 Ų38.96%0.06120%0.197CC..PPolyproline II helixtrans-73125.4170-68.9-81.6000109.7D82 V85 L86 Q118 Y121 V132 P152D82-F130 HydrophobicContact CB-CD1 3.98Å; D82-F130 WeakPolarHBondContact OD2-CA 3.46Å; V85-F130 HydrophobicContact CB-CE1 4.42Å; V85-F130 HydrophobicContact CG1-CE1 4.16Å; V85-F130 HydrophobicContact CG1-CZ 4.49Å; L86-F130 HydrophobicContact CD1-CB 4.05Å; L86-F130 HydrophobicContact CD1-CD1 4.11Å; L86-F130 HydrophobicContact CD1-CG 4.02Å; L86-F130 HydrophobicContact CD2-CD1 4.08Å; L86-F130 HydrophobicContact CD2-CD2 4.03Å; L86-F130 HydrophobicContact CD2-CE1 3.99Å; L86-F130 HydrophobicContact CD2-CE2 3.93Å; L86-F130 HydrophobicContact CD2-CG 4.09Å; L86-F130 HydrophobicContact CD2-CZ 3.92Å; L86-F130 HydrophobicContact CG-CD1 4.02Å; L86-F130 HydrophobicContact CG-CE1 4.19Å; L86-F130 HydrophobicContact CG-CG 4.28Å; Q118-F130 HydrophobicContact CG-CD2 4.24Å; Y121-F130 HydrophobicContact CD1-CD2 4.44Å; Y121-F130 AromaticContact CD1-CE2 3.93Å; Y121-F130 HydrophobicContact CD1-CE2 3.93Å; Y121-F130 HydrophobicContact CD1-CZ 4.39Å; Y121-F130 HydrophobicContact CD2-CD2 4.45Å; Y121-F130 AromaticContact CD2-CE2 3.66Å; Y121-F130 HydrophobicContact CD2-CE2 3.66Å; Y121-F130 HydrophobicContact CD2-CZ 4.45Å; Y121-F130 AromaticContact CE1-CE2 3.99Å; Y121-F130 HydrophobicContact CE1-CE2 3.99Å; Y121-F130 HydrophobicContact CE1-CZ 4.03Å; Y121-F130 AromaticContact CE2-CE2 3.73Å; Y121-F130 HydrophobicContact CE2-CE2 3.73Å; Y121-F130 HydrophobicContact CE2-CZ 4.09Å; Y121-F130 HydrophobicContact CG-CD2 4.23Å; Y121-F130 AromaticContact CG-CE2 3.77Å; Y121-F130 HydrophobicContact CG-CE2 3.77Å; Y121-F130 AromaticContact CZ-CE2 3.9Å; Y121-F130 AromaticContact CZ-CZ 3.87Å; F130-V132 PolarHBondContact O-N 2.93Å; F130-P152 VanDerWaalsContact O-CB 3.29Å; F130-P152 WeakPolarHBondContact O-CB 3.48Å
131G97.7Very high96.3Very high3 Ų346.5 Ų46.53%0.03123%0.229CC..  trans-83.948-179.900000113.2G78 I79 D82G78-G131 CarbonylContact C-O 3.58Å; G78-G131 VanDerWaalsContact CA-O 3.26Å; G78-G131 WeakPolarHBondContact CA-O 3.46Å; I79-G131 PolarHBondContact N-O 2.97Å; D82-G131 PolarHBondContact OD2-N 2.87Å
132V97.9Very high96.2Very high0 Ų051 Ų510%025%0.245CC..EExtended strand (participates in β ladder)trans-140.1133.5-171.9-176.20000111.2V76 A77 I79 D82 A83 L86 Q118 F130 M134V76-V132 HydrophobicContact CB-CG1 4.31Å; A77-V132 WeakPolarHBondContact O-CA 3.16Å; I79-V132 HydrophobicContact CB-CG2 4.49Å; I79-V132 WeakPolarHBondContact O-CG2 3.47Å; D82-V132 HydrophobicContact CB-CG2 3.5Å; D82-V132 VanDerWaalsContact CB-CG2 3.5Å; A83-V132 HydrophobicContact CB-CG1 4.05Å; A83-V132 HydrophobicContact CB-CG2 4.08Å; L86-V132 HydrophobicContact CD1-CB 4.41Å; Q118-V132 PolarHBondContact NE2-O 2.87Å; F130-V132 PolarHBondContact O-N 2.93Å; V132-M134 HydrophobicContact CG1-CE 3.77Å; V132-M134 HydrophobicContact CG1-CG 3.83Å
133S98.3Very high96.2Very high8 Ų857.8 Ų57.86%0.05627%0.271CS..EExtended strand (participates in β ladder)trans-105.4148.1159.8-75.20000109.4A77 T150 D151 I164A77-S133 PolarHBondContact N-O 3.34Å; A77-S133 PolarHBondContact O-N 3.47Å; A77-S133 VanDerWaalsContact O-O 3.09Å; S133-T150 WeakPolarHBondContact CA-O 3.42Å; S133-T150 WeakPolarHBondContact CB-O 3.16Å; S133-T150 PolarHBondContact OG-O 2.8Å; S133-T150 VanDerWaalsContact OG-O 3.12Å; S133-D151 WeakPolarHBondContact OG-CA 3.28Å; S133-I164 WeakPolarHBondContact O-CD1 3.43Å
134M98.4Very high96.4Very high0 Ų053.3 Ų53.30%025%0.254CS..EExtended strand (participates in β ladder)trans-130.2146-179.4-58.8-173.2166.100110.7A75 V76 A83 L86 I87 M90 V132 F136 Q149 T150A75-M134 CarbonylContact O-C 3.57Å; A75-M134 VanDerWaalsContact O-CA 3.31Å; A75-M134 WeakPolarHBondContact O-CA 3.41Å; V76-M134 HydrophobicContact CG1-CE 3.91Å; V76-M134 HydrophobicContact CG1-CG 4.1Å; V76-M134 HydrophobicContact CG1-SD 4.39Å; A83-M134 HydrophobicContact CB-CE 4.27Å; L86-M134 HydrophobicContact CB-CE 3.5Å; L86-M134 HydrophobicContact CB-SD 4.48Å; L86-M134 HydrophobicContact CD1-CE 3.74Å; L86-M134 HydrophobicContact CG-CE 4.26Å; I87-M134 HydrophobicContact CG1-CE 4.4Å; M90-M134 HydrophobicContact CE-CE 4.11Å; M90-M134 HydrophobicContact CE-SD 3.57Å; M90-M134 VanDerWaalsContact CE-SD 3.57Å; M90-M134 HydrophobicContact SD-SD 4.2Å; V132-M134 HydrophobicContact CG1-CE 3.77Å; V132-M134 HydrophobicContact CG1-CG 3.83Å; M134-F136 HydrophobicContact CB-CD2 4.23Å; M134-F136 HydrophobicContact CB-CE2 3.51Å; M134-F136 HydrophobicContact CB-CZ 3.95Å; M134-F136 HydrophobicContact SD-CE2 4.45Å; M134-F136 HydrophobicContact SD-CZ 3.96Å; M134-Q149 WeakPolarHBondContact O-CA 3.29Å; M134-T150 PolarHBondContact N-O 3.42Å; M134-T150 PolarHBondContact N-OG1 3.24Å; M134-T150 PolarHBondContact O-N 3.15Å
135L98.7Very high96.6Very high0 Ų048.3 Ų48.30%023%0.234CC..EExtended strand (participates in β ladder)trans-106.4125.5165-62-176.1000108.4C34 L45 C74 A75 L147 Y148 Q149 T162 I164C34-L135 HydrophobicContact CB-CD1 4.5Å; L45-L135 HydrophobicContact CD2-CB 3.75Å; L45-L135 HydrophobicContact CD2-CD1 4.04Å; C74-L135 CarbonylContact C-O 3.54Å; C74-L135 WeakPolarHBondContact CA-O 3.33Å; C74-L135 VanDerWaalsContact CB-O 3.32Å; C74-L135 WeakPolarHBondContact CB-O 3.32Å; A75-L135 HydrophobicContact CB-CB 4.48Å; A75-L135 PolarHBondContact N-O 2.92Å; A75-L135 PolarHBondContact O-N 2.86Å; L135-L147 HydrophobicContact CB-CD1 4.29Å; L135-Y148 CarbonylContact C-O 3.54Å; L135-Y148 WeakPolarHBondContact CA-O 3.31Å; L135-Q149 HydrophobicContact CD2-CB 3.76Å; L135-Q149 HydrophobicContact CD2-CG 3.86Å; L135-T162 HydrophobicContact CD2-CG2 3.57Å; L135-I164 HydrophobicContact CD1-CG1 4.21Å; L135-I164 HydrophobicContact CD2-CD1 4.15Å; L135-I164 HydrophobicContact CD2-CG1 4.24Å; L135-I164 HydrophobicContact CD2-CG2 4.03Å; L135-I164 HydrophobicContact CG-CD1 3.75Å; L135-I164 HydrophobicContact CG-CG1 3.92Å
136F98.5Very high97Very high0 Ų046 Ų460%021%0.207CC..EExtended strand (participates in β ladder)trans-103.4131.9177.8-66.6-96.2000109C74 M90 V111 I114 M134 L147 Y148 T150C74-F136 HydrophobicContact CB-CD1 4.09Å; C74-F136 HydrophobicContact CB-CE1 4.22Å; M90-F136 HydrophobicContact CE-CE1 4.19Å; M90-F136 HydrophobicContact CE-CZ 4.33Å; M90-F136 HydrophobicContact SD-CE1 3.28Å; M90-F136 WeakPolarHBondContact SD-CE1 3.26Å; M90-F136 HydrophobicContact SD-CZ 3.47Å; M90-F136 WeakPolarHBondContact SD-CZ 3.48Å; V111-F136 HydrophobicContact CG2-CB 4.02Å; V111-F136 HydrophobicContact CG2-CD1 3.91Å; V111-F136 HydrophobicContact CG2-CD2 3.89Å; V111-F136 HydrophobicContact CG2-CE1 4.36Å; V111-F136 HydrophobicContact CG2-CE2 4.37Å; V111-F136 HydrophobicContact CG2-CG 3.65Å; I114-F136 HydrophobicContact CG2-CZ 3.87Å; M134-F136 HydrophobicContact CB-CD2 4.23Å; M134-F136 HydrophobicContact CB-CE2 3.51Å; M134-F136 HydrophobicContact CB-CZ 3.95Å; M134-F136 HydrophobicContact SD-CE2 4.45Å; M134-F136 HydrophobicContact SD-CZ 3.96Å; F136-L147 VanDerWaalsContact O-CA 3.24Å; F136-L147 WeakPolarHBondContact O-CA 3.43Å; F136-L147 WeakPolarHBondContact O-CD1 3.38Å; F136-Y148 PolarHBondContact N-O 2.98Å; F136-Y148 PolarHBondContact O-N 3.48Å; F136-T150 HydrophobicContact CD2-CG2 4.04Å; F136-T150 HydrophobicContact CE2-CG2 3.44Å; F136-T150 VanDerWaalsContact CE2-CG2 3.44Å; F136-T150 HydrophobicContact CZ-CG2 4.38Å
137I98.4Very high97.4Very high0 Ų043.7 Ų43.70%018%0.182CC..EExtended strand (participates in β ladder)trans-117.3136.7166.663.4173.8000108.3I43 L45 I72 A73 Q146 L147 L215I43-I137 HydrophobicContact CB-CB 4.19Å; I43-I137 HydrophobicContact CB-CG2 4.14Å; I43-I137 HydrophobicContact CD1-CB 4.12Å; I43-I137 HydrophobicContact CG2-CB 3.98Å; I43-I137 HydrophobicContact CG2-CG2 3.4Å; I43-I137 VanDerWaalsContact CG2-CG2 3.4Å; L45-I137 HydrophobicContact CD1-CB 4.31Å; L45-I137 HydrophobicContact CD1-CD1 3.61Å; L45-I137 HydrophobicContact CD1-CG1 3.68Å; L45-I137 HydrophobicContact CD1-CG2 3.75Å; L45-I137 HydrophobicContact CD2-CG2 3.81Å; L45-I137 HydrophobicContact CG-CD1 3.87Å; L45-I137 HydrophobicContact CG-CG1 4.23Å; L45-I137 HydrophobicContact CG-CG2 3.53Å; I72-I137 WeakPolarHBondContact CA-O 3.41Å; A73-I137 HydrophobicContact CB-CD1 4.33Å; A73-I137 HydrophobicContact CB-CG1 3.97Å; A73-I137 PolarHBondContact N-O 3.5Å; A73-I137 PolarHBondContact O-N 3.31Å; A73-I137 VanDerWaalsContact O-O 3.06Å; I137-Q146 WeakPolarHBondContact CA-O 3.45Å; I137-L147 HydrophobicContact CG2-CD1 4.02Å; I137-L215 HydrophobicContact CB-CD1 4.44Å; I137-L215 HydrophobicContact CD1-CB 3.59Å; I137-L215 HydrophobicContact CD1-CD1 4.23Å; I137-L215 HydrophobicContact CG1-CB 4.24Å; I137-L215 HydrophobicContact CG1-CD1 3.98Å
138G98.1Very high97.7Very high0 Ų037.9 Ų37.90%016%0.16CC..EExtended strand (participates in β ladder)trans-159.1168.6175.400000113.1I43 D71 Y145 Q146I43-G138 WeakPolarHBondContact CD1-O 3.05Å; D71-G138 CarbonylContact O-C 3.57Å; D71-G138 WeakPolarHBondContact O-CA 3.31Å; G138-Y145 WeakPolarHBondContact O-CA 3.32Å; G138-Q146 PolarHBondContact N-O 3.45Å; G138-Q146 PolarHBondContact O-N 3.18Å
139W98.2Very high97.8Very high45 Ų4533.8 Ų33.817%0.1715%0.147CC..EExtended strand (participates in β ladder)trans-126.6134.2168.5-175.296.3000109.4D71 K141 G144 Y145 L215 R217D71-W139 PolarHBondContact O-N 3.03Å; W139-K141 HydrophobicContact CH2-CB 4.32Å; W139-K141 HydrophobicContact CH2-CG 3.79Å; W139-K141 HydrophobicContact CZ3-CB 4.49Å; W139-K141 HydrophobicContact CZ3-CG 3.79Å; W139-G144 WeakPolarHBondContact CA-O 3.48Å; W139-Y145 HydrophobicContact CB-CD1 4.08Å; W139-Y145 HydrophobicContact CB-CE1 4.22Å; W139-Y145 AromaticContact CD1-CD1 3.5Å; W139-Y145 AromaticContact CD1-CE1 3.51Å; W139-Y145 AromaticContact CD1-CG 3.95Å; W139-Y145 HydrophobicContact CG-CD1 4.19Å; W139-Y145 HydrophobicContact CG-CE1 4.18Å; W139-L215 HydrophobicContact CB-CD2 4.1Å; W139-R217 VanDerWaalsContact CH2-NE 3.29Å; W139-R217 VanDerWaalsContact CZ2-CD 3.46Å; W139-R217 VanDerWaalsContact CZ2-NE 3.31Å
140D96.7Very high97.9Very high14 Ų1433.5 Ų33.58%0.07515%0.145CC..EExtended strand (participates in β ladder)trans-134.8169.2165.871.241000112.1V107 R142 Y143 G144 Q146V107-D140 HydrophobicContact CG2-CB 4.42Å; V107-D140 PolarHBondContact N-OD2 3Å; D140-R142 PolarHBondContact O-N 2.79Å; D140-R142 WeakPolarHBondContact OD1-CA 3.45Å; D140-R142 WeakPolarHBondContact OD1-CB 3.49Å; D140-R142 PolarHBondContact OD1-N 3.48Å; D140-Y143 PolarHBondContact OD1-N 2.93Å; D140-G144 PolarHBondContact N-O 3.12Å; D140-G144 VanDerWaalsContact N-O 3.15Å; D140-G144 VanDerWaalsContact O-CA 3.24Å; D140-G144 WeakPolarHBondContact O-CA 3.48Å; D140-G144 PolarHBondContact O-N 3.45Å; D140-Q146 PolarHBondContact OD1-NE2 3.15Å; D140-Q146 PolarHBondContact OD2-NE2 2.94Å
141K95.1Very high97.8Very high164 Ų16434.5 Ų34.571%0.71315%0.151SC*.THydrogen-bonded Turntrans-69.4-17.1-177.3-64.9178.7-179.4174.90113.7W139W139-K141 HydrophobicContact CH2-CB 4.32Å; W139-K141 HydrophobicContact CH2-CG 3.79Å; W139-K141 HydrophobicContact CZ3-CB 4.49Å; W139-K141 HydrophobicContact CZ3-CG 3.79Å
142R95.4Very high97.8Very high155 Ų15534.4 Ų34.459%0.58515%0.149SC*.THydrogen-bonded Turntrans-90.6-46.3-172.1-62.8-176.7-175.3-175.13.9111.3D140D140-R142 PolarHBondContact O-N 2.79Å; D140-R142 WeakPolarHBondContact OD1-CA 3.45Å; D140-R142 WeakPolarHBondContact OD1-CB 3.49Å; D140-R142 PolarHBondContact OD1-N 3.48Å
143Y97Very high97.8Very high148 Ų14835.2 Ų35.258%0.5816%0.155SC*.THydrogen-bonded Turntrans-120.5-4.7-173.4-56.8-66.7000113.3D140D140-Y143 PolarHBondContact OD1-N 2.93Å
144G97.2Very high97.8Very high19 Ų1935.4 Ų35.420%0.19616%0.158CC..EExtended strand (participates in β ladder)trans70.9-137.6-176.800000111.2W139 D140 Q146W139-G144 WeakPolarHBondContact CA-O 3.48Å; D140-G144 PolarHBondContact N-O 3.12Å; D140-G144 VanDerWaalsContact N-O 3.15Å; D140-G144 VanDerWaalsContact O-CA 3.24Å; D140-G144 WeakPolarHBondContact O-CA 3.48Å; D140-G144 PolarHBondContact O-N 3.45Å; G144-Q146 PolarHBondContact O-N 2.84Å; G144-Q146 PolarHBondContact O-NE2 3.12Å
145Y98.1Very high97.8Very high49 Ų4940.4 Ų40.419%0.19219%0.185CC..EExtended strand (participates in β ladder)trans-68.7125.4179.7-67.5-55.5000111.3D41 I43 G138 W139 L215 R217D41-Y145 PolarHBondContact O-OH 2.98Å; D41-Y145 VanDerWaalsContact O-OH 3.14Å; I43-Y145 HydrophobicContact CD1-CD1 4.11Å; I43-Y145 HydrophobicContact CD1-CG 4.33Å; I43-Y145 HydrophobicContact CG1-CD1 3.88Å; I43-Y145 HydrophobicContact CG1-CG 4.02Å; G138-Y145 WeakPolarHBondContact O-CA 3.32Å; W139-Y145 HydrophobicContact CB-CD1 4.08Å; W139-Y145 HydrophobicContact CB-CE1 4.22Å; W139-Y145 AromaticContact CD1-CD1 3.5Å; W139-Y145 AromaticContact CD1-CE1 3.51Å; W139-Y145 AromaticContact CD1-CG 3.95Å; W139-Y145 HydrophobicContact CG-CD1 4.19Å; W139-Y145 HydrophobicContact CG-CE1 4.18Å; Y145-L215 HydrophobicContact CD1-CD2 3.91Å; Y145-L215 HydrophobicContact CE1-CD2 3.77Å; Y145-R217 HydrophobicContact CE1-CB 4.43Å; Y145-R217 WeakPolarHBondContact OH-CB 3.4Å; Y145-R217 PolarHBondContact OH-N 3.49Å
146Q98.5Very high97.7Very high16 Ų1643.1 Ų43.18%0.07520%0.197CC..EExtended strand (participates in β ladder)trans-132.1137.5-178.2-70.3161.78600111.3I43 V107 I137 G138 D140 G144 Y148I43-Q146 WeakPolarHBondContact CD1-O 3.43Å; V107-Q146 HydrophobicContact CB-CB 4.41Å; V107-Q146 HydrophobicContact CG1-CB 4.41Å; V107-Q146 HydrophobicContact CG2-CB 4.5Å; I137-Q146 WeakPolarHBondContact CA-O 3.45Å; G138-Q146 PolarHBondContact N-O 3.45Å; G138-Q146 PolarHBondContact O-N 3.18Å; D140-Q146 PolarHBondContact OD1-NE2 3.15Å; D140-Q146 PolarHBondContact OD2-NE2 2.94Å; G144-Q146 PolarHBondContact O-N 2.84Å; G144-Q146 PolarHBondContact O-NE2 3.12Å; Q146-Y148 HydrophobicContact CB-CD2 4.27Å; Q146-Y148 HydrophobicContact CB-CE2 3.85Å; Q146-Y148 HydrophobicContact CG-CE2 4.3Å; Q146-Y148 PolarHBondContact OE1-OH 2.73Å
147L98.7Very high97.7Very high3 Ų348.3 Ų48.32%0.01622%0.224CC..EExtended strand (participates in β ladder)trans-119.8122.7170.7166.767.3000108.9G36 V38 L135 F136 I137 G158 W159 T162G36-L147 WeakPolarHBondContact O-CD2 3.46Å; V38-L147 HydrophobicContact CG2-CB 3.54Å; V38-L147 HydrophobicContact CG2-CD2 4.21Å; L135-L147 HydrophobicContact CB-CD1 4.29Å; F136-L147 VanDerWaalsContact O-CA 3.24Å; F136-L147 WeakPolarHBondContact O-CA 3.43Å; F136-L147 WeakPolarHBondContact O-CD1 3.38Å; I137-L147 HydrophobicContact CG2-CD1 4.02Å; L147-G158 CarbonylContact O-C 3.6Å; L147-G158 WeakPolarHBondContact O-CA 3.16Å; L147-W159 WeakPolarHBondContact CB-O 3.5Å; L147-W159 HydrophobicContact CD2-CB 4.24Å; L147-W159 HydrophobicContact CG-CB 4.31Å; L147-W159 PolarHBondContact O-N 3.19Å; L147-T162 HydrophobicContact CD2-CG2 4.21Å; L147-T162 HydrophobicContact CG-CG2 4.47Å
148Y98.8Very high97.7Very high24 Ų2450.7 Ų50.79%0.09425%0.248CC..EExtended strand (participates in β ladder)trans-119.3149.5174.4-71.2-86.3000110.9V107 E108 V111 L135 F136 Q146 F156 L157V107-Y148 HydrophobicContact CB-CE2 4.43Å; V107-Y148 HydrophobicContact CG1-CD2 3.95Å; V107-Y148 HydrophobicContact CG1-CE2 4.19Å; E108-Y148 HydrophobicContact CB-CE2 4.11Å; E108-Y148 WeakPolarHBondContact CB-OH 3.26Å; E108-Y148 HydrophobicContact CG-CE1 4.21Å; E108-Y148 WeakPolarHBondContact CG-OH 3.38Å; V111-Y148 HydrophobicContact CG1-CG 4.39Å; V111-Y148 HydrophobicContact CG2-CD2 4.11Å; V111-Y148 HydrophobicContact CG2-CG 4.08Å; L135-Y148 CarbonylContact C-O 3.54Å; L135-Y148 WeakPolarHBondContact CA-O 3.31Å; F136-Y148 PolarHBondContact N-O 2.98Å; F136-Y148 PolarHBondContact O-N 3.48Å; Q146-Y148 HydrophobicContact CB-CD2 4.27Å; Q146-Y148 HydrophobicContact CB-CE2 3.85Å; Q146-Y148 HydrophobicContact CG-CE2 4.3Å; Q146-Y148 PolarHBondContact OE1-OH 2.73Å; Y148-F156 AromaticContact CD1-CD2 3.79Å; Y148-F156 HydrophobicContact CD1-CD2 3.79Å; Y148-F156 HydrophobicContact CD1-CE2 4.21Å; Y148-F156 HydrophobicContact CE1-CD2 4.12Å; Y148-F156 HydrophobicContact CE1-CE2 4.07Å; Y148-L157 WeakPolarHBondContact CA-O 3.36Å
149Q98.5Very high97.8Very high40 Ų4055.5 Ų55.519%0.18727%0.267CS..EExtended strand (participates in β ladder)trans-119.6137.5171.9176.2-178.6-39.900109.5M134 L135 F156 L157 T162 I164M134-Q149 WeakPolarHBondContact O-CA 3.29Å; L135-Q149 HydrophobicContact CD2-CB 3.76Å; L135-Q149 HydrophobicContact CD2-CG 3.86Å; Q149-F156 WeakPolarHBondContact O-CA 3.24Å; Q149-F156 WeakPolarHBondContact O-CB 3.19Å; Q149-L157 PolarHBondContact N-O 2.71Å; Q149-L157 PolarHBondContact O-N 3.31Å; Q149-T162 HydrophobicContact CB-CG2 4.2Å; Q149-T162 PolarHBondContact OE1-OG1 3.42Å; Q149-I164 HydrophobicContact CG-CG2 3.71Å
150T98.5Very high97.8Very high1 Ų158.3 Ų58.31%0.00629%0.285CS..EExtended strand (participates in β ladder)trans-118.2159171.469.80000111.6V111 C115 S133 M134 F136 N155 F156V111-T150 HydrophobicContact CG1-CG2 3.74Å; C115-T150 WeakPolarHBondContact SG-CG2 3.43Å; S133-T150 WeakPolarHBondContact CA-O 3.42Å; S133-T150 WeakPolarHBondContact CB-O 3.16Å; S133-T150 PolarHBondContact OG-O 2.8Å; S133-T150 VanDerWaalsContact OG-O 3.12Å; M134-T150 PolarHBondContact N-O 3.42Å; M134-T150 PolarHBondContact N-OG1 3.24Å; M134-T150 PolarHBondContact O-N 3.15Å; F136-T150 HydrophobicContact CD2-CG2 4.04Å; F136-T150 HydrophobicContact CE2-CG2 3.44Å; F136-T150 VanDerWaalsContact CE2-CG2 3.44Å; F136-T150 HydrophobicContact CZ-CG2 4.38Å; T150-N155 WeakPolarHBondContact CA-O 3.4Å; T150-F156 HydrophobicContact CG2-CB 3.89Å
151D97.7Very high97.8Very high36 Ų3658.6 Ų58.619%0.19329%0.289CS..  trans-132.7167.2174.672.345.9000112.8M25 Q118 S133 S153 G154 N155M25-D151 HydrophobicContact CE-CB 4.13Å; M25-D151 WeakPolarHBondContact CE-OD1 2.91Å; Q118-D151 PolarHBondContact NE2-O 3.05Å; S133-D151 WeakPolarHBondContact OG-CA 3.28Å; D151-S153 PolarHBondContact O-N 3.42Å; D151-S153 WeakPolarHBondContact OD1-CA 3.43Å; D151-S153 WeakPolarHBondContact OD1-CB 3.17Å; D151-S153 PolarHBondContact OD1-N 3.32Å; D151-S153 PolarHBondContact OD1-OG 2.84Å; D151-G154 PolarHBondContact O-N 3.21Å; D151-N155 PolarHBondContact N-O 3.07Å
152P98Very high98Very high0 Ų051.4 Ų51.40%026%0.259CS..THydrogen-bonded Turntrans-55.9-15.9-179.8-32.839.9000116.6A24 M25 V28 F130 G154A24-P152 HydrophobicContact CB-CB 3.61Å; A24-P152 HydrophobicContact CB-CG 3.87Å; M25-P152 HydrophobicContact CG-CG 4.36Å; V28-P152 HydrophobicContact CG2-CG 4.11Å; F130-P152 VanDerWaalsContact O-CB 3.29Å; F130-P152 WeakPolarHBondContact O-CB 3.48Å; P152-G154 VanDerWaalsContact C-N 3.28Å
153S97.4Very high98.1Very high17 Ų1744.6 Ų44.612%0.11924%0.235CC..THydrogen-bonded Turntrans-77.3-16.517876.30000113.1D151 N155D151-S153 PolarHBondContact O-N 3.42Å; D151-S153 WeakPolarHBondContact OD1-CA 3.43Å; D151-S153 WeakPolarHBondContact OD1-CB 3.17Å; D151-S153 PolarHBondContact OD1-N 3.32Å; D151-S153 PolarHBondContact OD1-OG 2.84Å; S153-N155 WeakPolarHBondContact OG-CB 3.19Å; S153-N155 PolarHBondContact OG-N 3.17Å; S153-N155 PolarHBondContact OG-ND2 2.93Å
154G97.5Very high98.2Very high12 Ų1237.9 Ų37.912%0.12421%0.209CC..SBendtrans84.615.9-168.700000113.3C115 D151 P152C115-G154 VanDerWaalsContact CB-O 3.3Å; C115-G154 WeakPolarHBondContact CB-O 3.41Å; D151-G154 PolarHBondContact O-N 3.21Å; P152-G154 VanDerWaalsContact C-N 3.28Å
155N97.9Very high98.1Very high106 Ų10637 Ų3757%0.56720%0.201SC*.  trans-85.2150.5167.2-77.8-58.7000110.8T150 D151 S153T150-N155 WeakPolarHBondContact CA-O 3.4Å; D151-N155 PolarHBondContact N-O 3.07Å; S153-N155 WeakPolarHBondContact OG-CB 3.19Å; S153-N155 PolarHBondContact OG-N 3.17Å; S153-N155 PolarHBondContact OG-ND2 2.93Å
156F98.4Very high98Very high57 Ų5735.7 Ų35.725%0.2520%0.199CC..EExtended strand (participates in β ladder)trans-140.5153.8170.373.1-85.1000112.3E108 V111 C112 C115 Y148 Q149 T150E108-F156 HydrophobicContact CG-CE2 4.13Å; E108-F156 HydrophobicContact CG-CZ 4.46Å; V111-F156 HydrophobicContact CG1-CB 3.65Å; V111-F156 HydrophobicContact CG1-CD1 4.24Å; V111-F156 HydrophobicContact CG1-CD2 3.61Å; V111-F156 HydrophobicContact CG1-CE2 4.3Å; V111-F156 HydrophobicContact CG1-CG 3.58Å; C112-F156 HydrophobicContact CB-CE1 4.22Å; C112-F156 HydrophobicContact CB-CZ 4.3Å; C115-F156 HydrophobicContact CB-CD1 4Å; Y148-F156 AromaticContact CD1-CD2 3.79Å; Y148-F156 HydrophobicContact CD1-CD2 3.79Å; Y148-F156 HydrophobicContact CD1-CE2 4.21Å; Y148-F156 HydrophobicContact CE1-CD2 4.12Å; Y148-F156 HydrophobicContact CE1-CE2 4.07Å; Q149-F156 WeakPolarHBondContact O-CA 3.24Å; Q149-F156 WeakPolarHBondContact O-CB 3.19Å; T150-F156 HydrophobicContact CG2-CB 3.89Å
157L98.2Very high97.8Very high109 Ų10938.3 Ų38.357%0.57121%0.213SC*.EExtended strand (participates in β ladder)trans-141.6147.1176.3-69.2173000109.9Y148 Q149 W159Y148-L157 WeakPolarHBondContact CA-O 3.36Å; Q149-L157 PolarHBondContact N-O 2.71Å; Q149-L157 PolarHBondContact O-N 3.31Å; L157-W159 HydrophobicContact CB-CZ2 4.29Å; L157-W159 HydrophobicContact CD1-CZ2 3.94Å; L157-W159 PolarHBondContact O-NE1 2.95Å
158G98.3Very high97.7Very high49 Ų4940.1 Ų40.151%0.50523%0.226SC..EExtended strand (participates in β ladder)trans-84.2142.1170.100000111.3L147L147-G158 CarbonylContact O-C 3.6Å; L147-G158 WeakPolarHBondContact O-CA 3.16Å
159W98.6Very high97.6Very high101 Ų10144.7 Ų44.738%0.38326%0.257SS..EExtended strand (participates in β ladder)trans-138151.5-174.9-63.788.6000111.9L147 L157 T162L147-W159 WeakPolarHBondContact CB-O 3.5Å; L147-W159 HydrophobicContact CD2-CB 4.24Å; L147-W159 HydrophobicContact CG-CB 4.31Å; L147-W159 PolarHBondContact O-N 3.19Å; L157-W159 HydrophobicContact CB-CZ2 4.29Å; L157-W159 HydrophobicContact CD1-CZ2 3.94Å; L157-W159 PolarHBondContact O-NE1 2.95Å; W159-T162 HydrophobicContact CB-CG2 3.89Å; W159-T162 HydrophobicContact CD2-CG2 4.35Å; W159-T162 HydrophobicContact CG-CG2 3.78Å
160N98.3Very high97.5Very high105 Ų10545.3 Ų45.356%0.56127%0.269SS*.SBendtrans-85.6-39.4167.3-77.4-19.9000111.5V38 Y179V38-N160 WeakPolarHBondContact CB-O 3.28Å; V38-N160 WeakPolarHBondContact CG2-O 3.31Å; V38-N160 PolarHBondContact N-O 3.11Å; N160-Y179 HydrophobicContact CB-CE1 3.95Å; N160-Y179 HydrophobicContact CB-CE2 4.22Å; N160-Y179 WeakPolarHBondContact CB-OH 3.31Å
161A98.6Very high97.4Very high19 Ų1945.3 Ų45.316%0.15727%0.268CS..EExtended strand (participates in β ladder)trans-149.2141.416800000108.4G36 V37 L175 Y179G36-A161 VanDerWaalsContact O-CA 3.23Å; G36-A161 WeakPolarHBondContact O-CA 3.28Å; V37-A161 HydrophobicContact CG1-CB 4.5Å; V37-A161 HydrophobicContact CG2-CB 4.17Å; A161-L175 HydrophobicContact CB-CB 4.39Å; A161-L175 HydrophobicContact CB-CD1 4.32Å; A161-L175 HydrophobicContact CB-CD2 4.15Å; A161-Y179 HydrophobicContact CB-CD2 3.75Å; A161-Y179 HydrophobicContact CB-CE2 4.16Å; A161-Y179 HydrophobicContact CB-CG 4.43Å
162T98.6Very high97.4Very high14 Ų1445 Ų459%0.08627%0.274CS..EExtended strand (participates in β ladder)trans-156.5166.4177.1-168.80000111.5L35 G36 L135 L147 Q149 W159L35-T162 CarbonylContact C-O 3.58Å; L35-T162 VanDerWaalsContact CA-O 3.28Å; L35-T162 WeakPolarHBondContact CA-O 3.19Å; L35-T162 WeakPolarHBondContact CB-O 3.41Å; G36-T162 PolarHBondContact N-O 2.74Å; G36-T162 PolarHBondContact O-N 2.83Å; L135-T162 HydrophobicContact CD2-CG2 3.57Å; L147-T162 HydrophobicContact CD2-CG2 4.21Å; L147-T162 HydrophobicContact CG-CG2 4.47Å; Q149-T162 HydrophobicContact CB-CG2 4.2Å; Q149-T162 PolarHBondContact OE1-OG1 3.42Å; W159-T162 HydrophobicContact CB-CG2 3.89Å; W159-T162 HydrophobicContact CD2-CG2 4.35Å; W159-T162 HydrophobicContact CG-CG2 3.78Å
163C98.3Very high97.4Very high11 Ų1147.7 Ų47.77%0.07429%0.292CS..EExtended strand (participates in β ladder)trans-139.2138.5178.3-172.20000110.9T33 C34 L35 S168 A171 L175T33-C163 VanDerWaalsContact CG2-SG 3.51Å; C34-C163 CarbonylContact O-C 3.56Å; C34-C163 WeakPolarHBondContact O-CA 3.44Å; C34-C163 PolarHBondContact O-SG 2.95Å; L35-C163 HydrophobicContact CB-CB 3.92Å; C163-S168 WeakPolarHBondContact O-CB 3.36Å; C163-A171 HydrophobicContact CB-CB 3.62Å; C163-A171 WeakPolarHBondContact SG-CB 3.4Å; C163-L175 HydrophobicContact CB-CD1 4.29Å
164I97.7Very high97.4Very high7 Ų747.9 Ų47.94%0.03629%0.292CS..EExtended strand (participates in β ladder)trans-122.3167.8170.160.6174.6000110C34 A77 S133 L135 Q149C34-I164 HydrophobicContact CB-CD1 4.42Å; C34-I164 HydrophobicContact CB-CG1 3.89Å; C34-I164 PolarHBondContact N-O 3.27Å; C34-I164 PolarHBondContact O-N 3.32Å; C34-I164 VanDerWaalsContact O-O 3.11Å; A77-I164 HydrophobicContact CB-CB 4.43Å; A77-I164 HydrophobicContact CB-CD1 3.67Å; A77-I164 HydrophobicContact CB-CG1 3.76Å; S133-I164 WeakPolarHBondContact O-CD1 3.43Å; L135-I164 HydrophobicContact CD1-CG1 4.21Å; L135-I164 HydrophobicContact CD2-CD1 4.15Å; L135-I164 HydrophobicContact CD2-CG1 4.24Å; L135-I164 HydrophobicContact CD2-CG2 4.03Å; L135-I164 HydrophobicContact CG-CD1 3.75Å; L135-I164 HydrophobicContact CG-CG1 3.92Å; Q149-I164 HydrophobicContact CG-CG2 3.71Å
165G96Very high97.4Very high2 Ų247.6 Ų47.62%0.02129%0.288CS..SBendtrans87.8-159-177.600000113.1V28 S168V28-G165 WeakPolarHBondContact O-CA 3.21Å; G165-S168 WeakPolarHBondContact O-CB 3.31Å; G165-S168 PolarHBondContact O-OG 2.58Å
166S94.9Very high97.4Very high21 Ų2150.6 Ų50.615%0.14730%0.298CS..THydrogen-bonded Turntrans-60.8142.8179.6-113.50000113.6G29 A31 T33 R50 S168G29-S166 WeakPolarHBondContact O-CA 3.44Å; G29-S166 PolarHBondContact O-N 3.28Å; G29-S166 PolarHBondContact O-OG 2.87Å; G29-S166 VanDerWaalsContact O-OG 3.11Å; A31-S166 WeakPolarHBondContact O-CB 3.47Å; A31-S166 PolarHBondContact O-N 3.25Å; T33-S166 PolarHBondContact OG1-O 3.36Å; R50-S166 PolarHBondContact NH2-OG 3.42Å; S166-S168 PolarHBondContact O-N 3.03Å; S166-S168 VanDerWaalsContact O-N 3.1Å
167N95.1Very high97.3Very high70 Ų7055.3 Ų55.337%0.37432%0.321SS..THydrogen-bonded Turntrans54.925.7177-59.7-32.1000113.8T169 A170 A171 T199N167-T169 VanDerWaalsContact C-N 3.26Å; N167-T169 PolarHBondContact O-N 2.72Å; N167-A170 PolarHBondContact O-N 3.04Å; N167-A170 VanDerWaalsContact O-N 3.15Å; N167-A171 PolarHBondContact O-N 2.87Å; N167-T199 PolarHBondContact ND2-O 3.27Å
168S96.1Very high97.2Very high41 Ų4153 Ų5329%0.28731%0.31SS..Hα-helixtrans-57.6-35.9179.7560000112.9C163 G165 S166 A171 G172C163-S168 WeakPolarHBondContact O-CB 3.36Å; G165-S168 WeakPolarHBondContact O-CB 3.31Å; G165-S168 PolarHBondContact O-OG 2.58Å; S166-S168 PolarHBondContact O-N 3.03Å; S166-S168 VanDerWaalsContact O-N 3.1Å; S168-A171 PolarHBondContact O-N 3.05Å; S168-G172 PolarHBondContact O-N 3.2Å
169T96.1Very high97.2Very high121 Ų12153.7 Ų53.774%0.74230%0.297SS*.Hα-helixtrans-61.4-47.8175.7-48.80000111.9N167 G172 S173N167-T169 VanDerWaalsContact C-N 3.26Å; N167-T169 PolarHBondContact O-N 2.72Å; T169-G172 PolarHBondContact O-N 2.91Å; T169-S173 PolarHBondContact O-N 3.24Å; T169-S173 PolarHBondContact O-OG 3.43Å
170A96.4Very high97.2Very high53 Ų5353 Ų5344%0.43830%0.301SS..Hα-helixtrans-67.9-38.6178.100000111.6N167 G172 S173 I174 T199N167-A170 PolarHBondContact O-N 3.04Å; N167-A170 VanDerWaalsContact O-N 3.15Å; A170-G172 VanDerWaalsContact C-N 3.34Å; A170-S173 PolarHBondContact O-N 3.03Å; A170-I174 WeakPolarHBondContact O-CG1 3.49Å; A170-I174 PolarHBondContact O-N 3.15Å; A170-T199 HydrophobicContact CB-CG2 4.46Å
171A97.4Very high97Very high0 Ų050.7 Ų50.70%030%0.296CS..Hα-helixtrans-59.8-45173.300000111.5C163 N167 S168 S173 I174 L175 V195 T199C163-A171 HydrophobicContact CB-CB 3.62Å; C163-A171 WeakPolarHBondContact SG-CB 3.4Å; N167-A171 PolarHBondContact O-N 2.87Å; S168-A171 PolarHBondContact O-N 3.05Å; A171-S173 PolarHBondContact O-N 2.91Å; A171-I174 PolarHBondContact O-N 3.11Å; A171-L175 WeakPolarHBondContact O-CG 3.1Å; A171-L175 PolarHBondContact O-N 3.46Å; A171-V195 HydrophobicContact CB-CG1 3.64Å; A171-T199 HydrophobicContact CB-CG2 3.84Å
172G97.5Very high97Very high30 Ų3055.3 Ų55.331%0.30932%0.319SS..Hα-helixtrans-57.7-44.4177.800000112.6S168 T169 A170 I174 L175 E176S168-G172 PolarHBondContact O-N 3.2Å; T169-G172 PolarHBondContact O-N 2.91Å; A170-G172 VanDerWaalsContact C-N 3.34Å; G172-I174 VanDerWaalsContact C-N 3.33Å; G172-I174 PolarHBondContact O-N 3.05Å; G172-L175 PolarHBondContact O-N 3.19Å; G172-E176 WeakPolarHBondContact O-CB 3.47Å; G172-E176 PolarHBondContact O-N 3.37Å
173S97.6Very high96.9Very high56 Ų5655.1 Ų55.139%0.39232%0.318SS..Hα-helixtrans-63.6-35.7176.9-57.50000113.4T169 A170 A171 Q177T169-S173 PolarHBondContact O-N 3.24Å; T169-S173 PolarHBondContact O-OG 3.43Å; A170-S173 PolarHBondContact O-N 3.03Å; A171-S173 PolarHBondContact O-N 2.91Å; S173-Q177 VanDerWaalsContact O-CG 3.31Å; S173-Q177 WeakPolarHBondContact O-CG 3.28Å; S173-Q177 PolarHBondContact O-N 3.42Å
174I97Very high96.9Very high22 Ų2256.4 Ų56.411%0.11333%0.326CS..Hα-helixtrans-70.5-44176.1-61.7161.9000109.9A170 A171 G172 E176 Q177 D178 V195 K198 T199A170-I174 WeakPolarHBondContact O-CG1 3.49Å; A170-I174 PolarHBondContact O-N 3.15Å; A171-I174 PolarHBondContact O-N 3.11Å; G172-I174 VanDerWaalsContact C-N 3.33Å; G172-I174 PolarHBondContact O-N 3.05Å; I174-E176 VanDerWaalsContact C-N 3.33Å; I174-E176 PolarHBondContact O-N 2.99Å; I174-Q177 PolarHBondContact O-N 2.95Å; I174-D178 WeakPolarHBondContact CG2-OD2 3.48Å; I174-D178 WeakPolarHBondContact O-CB 3.36Å; I174-D178 PolarHBondContact O-N 3.35Å; I174-V195 HydrophobicContact CB-CG2 4.21Å; I174-V195 HydrophobicContact CG2-CG2 3.73Å; I174-K198 HydrophobicContact CD1-CB 3.6Å; I174-K198 HydrophobicContact CD1-CD 3.8Å; I174-K198 HydrophobicContact CD1-CG 4.29Å; I174-K198 HydrophobicContact CG1-CD 4.4Å; I174-T199 HydrophobicContact CD1-CG2 4.23Å
175L98Very high96.8Very high6 Ų656.3 Ų56.33%0.03133%0.326CS..Hα-helixtrans-60.1-43.7176.6-71.4172.1000111.2V37 A161 C163 A171 G172 Q177 D178 Y179 L191 V195V37-L175 HydrophobicContact CG2-CD2 3.83Å; A161-L175 HydrophobicContact CB-CB 4.39Å; A161-L175 HydrophobicContact CB-CD1 4.32Å; A161-L175 HydrophobicContact CB-CD2 4.15Å; C163-L175 HydrophobicContact CB-CD1 4.29Å; A171-L175 WeakPolarHBondContact O-CG 3.1Å; A171-L175 PolarHBondContact O-N 3.46Å; G172-L175 PolarHBondContact O-N 3.19Å; L175-Q177 VanDerWaalsContact C-N 3.28Å; L175-Q177 PolarHBondContact O-N 2.91Å; L175-D178 PolarHBondContact O-N 3.35Å; L175-Y179 WeakPolarHBondContact O-CA 3.43Å; L175-Y179 WeakPolarHBondContact O-CB 3.1Å; L175-Y179 PolarHBondContact O-N 2.77Å; L175-L191 HydrophobicContact CD2-CD2 4.15Å; L175-L191 HydrophobicContact CD2-CG 4.23Å; L175-V195 HydrophobicContact CD2-CG2 3.81Å; L175-V195 HydrophobicContact CG-CG2 4.08Å
176E97.5Very high96.8Very high168 Ų16863.6 Ų63.679%0.78536%0.359SS*.Hα-helixtrans-60.3-36.8177.8-172.9176.8-168.800112.7G172 I174G172-E176 WeakPolarHBondContact O-CB 3.47Å; G172-E176 PolarHBondContact O-N 3.37Å; I174-E176 VanDerWaalsContact C-N 3.33Å; I174-E176 PolarHBondContact O-N 2.99Å
177Q97.3Very high96.9Very high156 Ų15667.4 Ų67.473%0.72938%0.375SS*.Hα-helixtrans-79.1-39.6-179.3-71.1174.55.200113.6S173 I174 L175S173-Q177 VanDerWaalsContact O-CG 3.31Å; S173-Q177 WeakPolarHBondContact O-CG 3.28Å; S173-Q177 PolarHBondContact O-N 3.42Å; I174-Q177 PolarHBondContact O-N 2.95Å; L175-Q177 VanDerWaalsContact C-N 3.28Å; L175-Q177 PolarHBondContact O-N 2.91Å
178D97Very high97.1Very high62 Ų6264.1 Ų64.133%0.33236%0.357SS..Hα-helixtrans-104.7-7.9-168.8-66.5-46.9000113.8I174 L175 N180 L191 K194I174-D178 WeakPolarHBondContact CG2-OD2 3.48Å; I174-D178 WeakPolarHBondContact O-CB 3.36Å; I174-D178 PolarHBondContact O-N 3.35Å; L175-D178 PolarHBondContact O-N 3.35Å; D178-N180 PolarHBondContact O-N 3.24Å; D178-L191 HydrophobicContact CB-CD1 3.52Å; D178-K194 IonicContact OD1-NZ 2.91Å; D178-K194 PolarHBondContact OD1-NZ 3.34Å; D178-K194 VanDerWaalsContact OD2-CE 3.29Å; D178-K194 WeakPolarHBondContact OD2-CE 3.29Å; D178-K194 IonicContact OD2-NZ 3.47Å; D178-K194 PolarHBondContact OD2-NZ 3.25Å
179Y98Very high97.1Very high63 Ų6362.4 Ų62.425%0.24735%0.345CS..  trans-64.9135-179.1175.7-98.8000111.8V37 V38 N160 A161 L175 A181V37-Y179 HydrophobicContact CG1-CD2 4.08Å; V37-Y179 HydrophobicContact CG1-CE2 4.08Å; V38-Y179 WeakPolarHBondContact O-CE2 3.39Å; N160-Y179 HydrophobicContact CB-CE1 3.95Å; N160-Y179 HydrophobicContact CB-CE2 4.22Å; N160-Y179 WeakPolarHBondContact CB-OH 3.31Å; A161-Y179 HydrophobicContact CB-CD2 3.75Å; A161-Y179 HydrophobicContact CB-CE2 4.16Å; A161-Y179 HydrophobicContact CB-CG 4.43Å; L175-Y179 WeakPolarHBondContact O-CA 3.43Å; L175-Y179 WeakPolarHBondContact O-CB 3.1Å; L175-Y179 PolarHBondContact O-N 2.77Å; Y179-A181 HydrophobicContact CE1-CB 4.12Å
180N97.3Very high97.1Very high85 Ų8560.6 Ų60.646%0.45533%0.327SS..  trans-132.5121.1174.7177.83.1000109.3D178 D182 A183D178-N180 PolarHBondContact O-N 3.24Å; N180-D182 PolarHBondContact O-N 3.32Å; N180-D182 PolarHBondContact OD1-N 3.31Å; N180-A183 HydrophobicContact CB-CB 4.21Å; N180-A183 WeakPolarHBondContact O-CB 3.43Å; N180-A183 PolarHBondContact O-N 2.98Å; N180-A183 VanDerWaalsContact O-N 3.12Å
181A95.5Very high97.2Very high57 Ų5759 Ų5947%0.47131%0.311SS..THydrogen-bonded Turntrans-64.8-26.7-179.900000113.3Y179 A183Y179-A181 HydrophobicContact CE1-CB 4.12Å; A181-A183 VanDerWaalsContact C-N 3.3Å
182D97.1Very high97.2Very high117 Ų11759 Ų5963%0.62631%0.311SS*.THydrogen-bonded Turntrans-89.74.4178.1-65.6-47.2000113K40 N180K40-D182 VanDerWaalsContact CD-O 3.29Å; K40-D182 WeakPolarHBondContact CD-O 3.47Å; K40-D182 WeakPolarHBondContact CE-O 3.5Å; K40-D182 PolarHBondContact NZ-O 3.33Å; N180-D182 PolarHBondContact O-N 3.32Å; N180-D182 PolarHBondContact OD1-N 3.31Å
183A97Very high97.1Very high9 Ų957.6 Ų57.67%0.07430%0.296CS..  trans-61.6140.9177.300000110.8A39 K40 N180 A181 E187A39-A183 WeakPolarHBondContact CB-O 3.29Å; K40-A183 WeakPolarHBondContact CG-O 3.42Å; K40-A183 PolarHBondContact N-O 2.95Å; N180-A183 HydrophobicContact CB-CB 4.21Å; N180-A183 WeakPolarHBondContact O-CB 3.43Å; N180-A183 PolarHBondContact O-N 2.98Å; N180-A183 VanDerWaalsContact O-N 3.12Å; A181-A183 VanDerWaalsContact C-N 3.3Å; A183-E187 WeakPolarHBondContact CA-OE2 3.37Å; A183-E187 HydrophobicContact CB-CB 4.05Å
184T97.8Very high97Very high39 Ų3956.2 Ų56.224%0.23928%0.283CS..  trans-72.6162165.658.20000111K40 D41 E186 E187 A188K40-T184 VanDerWaalsContact CE-CG2 3.43Å; D41-T184 WeakPolarHBondContact OD1-CA 3.33Å; T184-E186 PolarHBondContact O-N 3.22Å; T184-E187 PolarHBondContact N-OE2 2.82Å; T184-E187 PolarHBondContact O-N 3.37Å; T184-E187 VanDerWaalsContact O-N 3.13Å; T184-E187 WeakPolarHBondContact OG1-CG 3.41Å; T184-E187 PolarHBondContact OG1-N 2.5Å; T184-E187 PolarHBondContact OG1-OE2 3.05Å; T184-A188 WeakPolarHBondContact O-CB 3.37Å; T184-A188 PolarHBondContact O-N 2.69Å
185V96.9Very high97Very high5 Ų555.1 Ų55.13%0.0328%0.278CS..Hα-helixtrans-55.2-33.9171.7164.90000112A39 D41 G42 V44 T189 V214 Q216A39-V185 HydrophobicContact CB-CG2 3.96Å; D41-V185 WeakPolarHBondContact OD1-CG2 3.47Å; D41-V185 PolarHBondContact OD1-N 3.49Å; G42-V185 VanDerWaalsContact CA-CG2 3.47Å; V44-V185 HydrophobicContact CG2-CG1 3.99Å; V185-T189 WeakPolarHBondContact O-CB 3.24Å; V185-T189 PolarHBondContact O-N 3.45Å; V185-T189 PolarHBondContact O-OG1 2.93Å; V185-V214 HydrophobicContact CG1-CG1 3.56Å; V185-V214 HydrophobicContact CG1-CG2 4.31Å; V185-Q216 HydrophobicContact CG2-CG 4.05Å
186E96.1Very high96.9Very high154 Ų15454.9 Ų54.972%0.7228%0.276SS*.Hα-helixtrans-67-45.1176.7-64.8-175.7-179.800111.9T184 T189 K190T184-E186 PolarHBondContact O-N 3.22Å; E186-T189 PolarHBondContact O-N 3.22Å; E186-K190 PolarHBondContact O-N 3.09Å
187E97Very high96.7Very high101 Ų10150.4 Ų50.447%0.47225%0.253SS..Hα-helixtrans-65.8-42.7175.6-70.4163.4145.800111.5A183 T184 T189 K190 L191A183-E187 WeakPolarHBondContact CA-OE2 3.37Å; A183-E187 HydrophobicContact CB-CB 4.05Å; T184-E187 PolarHBondContact N-OE2 2.82Å; T184-E187 PolarHBondContact O-N 3.37Å; T184-E187 VanDerWaalsContact O-N 3.13Å; T184-E187 WeakPolarHBondContact OG1-CG 3.41Å; T184-E187 PolarHBondContact OG1-N 2.5Å; T184-E187 PolarHBondContact OG1-OE2 3.05Å; E187-T189 VanDerWaalsContact C-N 3.31Å; E187-T189 PolarHBondContact O-N 2.95Å; E187-K190 WeakPolarHBondContact O-CB 3.4Å; E187-K190 PolarHBondContact O-N 3.41Å; E187-L191 PolarHBondContact O-N 3.35Å
188A97.9Very high96.5Very high1 Ų147.4 Ų47.41%0.00824%0.238CC..Hα-helixtrans-61.9-38.9174.200000111.8V37 A39 V44 T184 L191 C192V37-A188 HydrophobicContact CB-CB 4.3Å; V37-A188 HydrophobicContact CG1-CB 3.79Å; A39-A188 HydrophobicContact CB-CB 3.94Å; V44-A188 HydrophobicContact CG2-CB 4.03Å; T184-A188 WeakPolarHBondContact O-CB 3.37Å; T184-A188 PolarHBondContact O-N 2.69Å; A188-L191 WeakPolarHBondContact O-CB 3.47Å; A188-L191 PolarHBondContact O-N 3.22Å; A188-C192 PolarHBondContact O-N 3.08Å; A188-C192 PolarHBondContact O-SG 3.41Å
189T97.4Very high96.2Very high6 Ų644.6 Ų44.64%0.03722%0.223CC..Hα-helixtrans-64.2-41.9175.5-56.90000111.4V185 E186 E187 L191 C192 I193 I212 I227 L235V185-T189 WeakPolarHBondContact O-CB 3.24Å; V185-T189 PolarHBondContact O-N 3.45Å; V185-T189 PolarHBondContact O-OG1 2.93Å; E186-T189 PolarHBondContact O-N 3.22Å; E187-T189 VanDerWaalsContact C-N 3.31Å; E187-T189 PolarHBondContact O-N 2.95Å; T189-L191 VanDerWaalsContact C-N 3.35Å; T189-C192 WeakPolarHBondContact O-CB 3.3Å; T189-C192 PolarHBondContact O-N 2.65Å; T189-I193 WeakPolarHBondContact O-CG1 3.16Å; T189-I193 PolarHBondContact O-N 2.89Å; T189-I193 VanDerWaalsContact O-N 3.08Å; T189-I212 HydrophobicContact CG2-CD1 4.07Å; T189-I212 HydrophobicContact CG2-CG2 4.25Å; T189-I227 HydrophobicContact CG2-CD1 3.9Å; T189-L235 HydrophobicContact CG2-CD1 3.61Å
190K96.7Very high95.7Very high82 Ų8242.5 Ų42.536%0.35722%0.215SC..Hα-helixtrans-62.3-42.2173.7-72.1-178.6179.7-174.10111.7E186 E187 C192 I193 K194 L235E186-K190 PolarHBondContact O-N 3.09Å; E187-K190 WeakPolarHBondContact O-CB 3.4Å; E187-K190 PolarHBondContact O-N 3.41Å; K190-C192 VanDerWaalsContact C-N 3.34Å; K190-C192 PolarHBondContact O-N 3.24Å; K190-I193 PolarHBondContact O-N 3.23Å; K190-K194 WeakPolarHBondContact O-CB 3.4Å; K190-K194 PolarHBondContact O-N 3.38Å; K190-L235 HydrophobicContact CG-CD2 3.92Å
191L97.4Very high94.8Very high20 Ų2043.1 Ų43.111%0.10522%0.222CC..Hα-helixtrans-59-45.6174.6176.457.4000111.2V37 L175 D178 E187 A188 T189 I193 K194 V195V37-L191 HydrophobicContact CG1-CD2 4.41Å; L175-L191 HydrophobicContact CD2-CD2 4.15Å; L175-L191 HydrophobicContact CD2-CG 4.23Å; D178-L191 HydrophobicContact CB-CD1 3.52Å; E187-L191 PolarHBondContact O-N 3.35Å; A188-L191 WeakPolarHBondContact O-CB 3.47Å; A188-L191 PolarHBondContact O-N 3.22Å; T189-L191 VanDerWaalsContact C-N 3.35Å; L191-I193 VanDerWaalsContact C-N 3.31Å; L191-I193 PolarHBondContact O-N 3.07Å; L191-K194 WeakPolarHBondContact O-CB 3.16Å; L191-K194 PolarHBondContact O-N 3.12Å; L191-V195 HydrophobicContact CD1-CG2 4.12Å; L191-V195 WeakPolarHBondContact O-CG2 3.43Å; L191-V195 PolarHBondContact O-N 3.44Å
192C97.3Very high93.8Very high0 Ų048.5 Ų48.50%024%0.24CC..Hα-helixtrans-56.9-44.6176.1-68.40000112.4L35 V37 A46 A188 T189 K190 V195 L196L35-C192 HydrophobicContact CD1-CB 3.78Å; L35-C192 WeakPolarHBondContact CD1-SG 3.49Å; V37-C192 VanDerWaalsContact CG2-SG 3.59Å; A46-C192 HydrophobicContact CB-CB 3.76Å; A188-C192 PolarHBondContact O-N 3.08Å; A188-C192 PolarHBondContact O-SG 3.41Å; T189-C192 WeakPolarHBondContact O-CB 3.3Å; T189-C192 PolarHBondContact O-N 2.65Å; K190-C192 VanDerWaalsContact C-N 3.34Å; K190-C192 PolarHBondContact O-N 3.24Å; C192-V195 PolarHBondContact O-N 3.47Å; C192-L196 WeakPolarHBondContact O-CG 3.39Å; C192-L196 PolarHBondContact O-N 2.74Å
193I96.4Very high93Very high0 Ų045.2 Ų45.20%023%0.226CC..Hα-helixtrans-66.3-40177.9-68.4-70.9000111.7T189 K190 L191 V195 L196 Y197 L205 V210 I212 V232 L235 I236 V239T189-I193 WeakPolarHBondContact O-CG1 3.16Å; T189-I193 PolarHBondContact O-N 2.89Å; T189-I193 VanDerWaalsContact O-N 3.08Å; K190-I193 PolarHBondContact O-N 3.23Å; L191-I193 VanDerWaalsContact C-N 3.31Å; L191-I193 PolarHBondContact O-N 3.07Å; I193-V195 VanDerWaalsContact C-N 3.35Å; I193-V195 PolarHBondContact O-N 3.39Å; I193-L196 PolarHBondContact O-N 3.37Å; I193-Y197 VanDerWaalsContact O-CB 3.23Å; I193-Y197 WeakPolarHBondContact O-CB 3.48Å; I193-Y197 PolarHBondContact O-N 2.91Å; I193-L205 HydrophobicContact CG2-CD2 4.06Å; I193-V210 HydrophobicContact CD1-CG1 4.29Å; I193-I212 HydrophobicContact CD1-CD1 3.74Å; I193-I212 HydrophobicContact CG1-CD1 4.09Å; I193-V232 HydrophobicContact CD1-CG1 4.34Å; I193-L235 HydrophobicContact CG1-CB 4.28Å; I193-I236 HydrophobicContact CD1-CG1 4.24Å; I193-I236 HydrophobicContact CG2-CG1 4.1Å; I193-V239 HydrophobicContact CB-CG2 4.19Å; I193-V239 HydrophobicContact CG2-CB 3.95Å; I193-V239 HydrophobicContact CG2-CG1 4.27Å; I193-V239 HydrophobicContact CG2-CG2 3.73Å
194K95.6Very high92.5Very high27 Ų2751.2 Ų51.212%0.11725%0.25CS..Hα-helixtrans-59.4-44.5173.4-177.4-173.4180-170.80111.8D178 K190 L191 Y197 K198 V239 E243D178-K194 IonicContact OD1-NZ 2.91Å; D178-K194 PolarHBondContact OD1-NZ 3.34Å; D178-K194 VanDerWaalsContact OD2-CE 3.29Å; D178-K194 WeakPolarHBondContact OD2-CE 3.29Å; D178-K194 IonicContact OD2-NZ 3.47Å; D178-K194 PolarHBondContact OD2-NZ 3.25Å; K190-K194 WeakPolarHBondContact O-CB 3.4Å; K190-K194 PolarHBondContact O-N 3.38Å; L191-K194 WeakPolarHBondContact O-CB 3.16Å; L191-K194 PolarHBondContact O-N 3.12Å; K194-Y197 PolarHBondContact O-N 3.13Å; K194-K198 WeakPolarHBondContact O-CG 3.41Å; K194-K198 PolarHBondContact O-N 3.14Å; K194-V239 HydrophobicContact CB-CG1 4.05Å; K194-E243 WeakPolarHBondContact CE-OE1 3.49Å
195V96.6Very high92.1Very high0 Ų049.6 Ų49.60%024%0.24CC..Hα-helixtrans-62.8-48.6177.3174.50000110.5L35 A171 I174 L175 L191 C192 I193 Y197 K198 T199L35-V195 HydrophobicContact CD2-CB 4.28Å; L35-V195 HydrophobicContact CD2-CG1 3.87Å; A171-V195 HydrophobicContact CB-CG1 3.64Å; I174-V195 HydrophobicContact CB-CG2 4.21Å; I174-V195 HydrophobicContact CG2-CG2 3.73Å; L175-V195 HydrophobicContact CD2-CG2 3.81Å; L175-V195 HydrophobicContact CG-CG2 4.08Å; L191-V195 HydrophobicContact CD1-CG2 4.12Å; L191-V195 WeakPolarHBondContact O-CG2 3.43Å; L191-V195 PolarHBondContact O-N 3.44Å; C192-V195 PolarHBondContact O-N 3.47Å; I193-V195 VanDerWaalsContact C-N 3.35Å; I193-V195 PolarHBondContact O-N 3.39Å; V195-Y197 PolarHBondContact O-N 3.13Å; V195-K198 PolarHBondContact O-N 3.01Å; V195-T199 HydrophobicContact CG1-CG2 4.25Å; V195-T199 WeakPolarHBondContact O-CB 3.24Å; V195-T199 VanDerWaalsContact O-CG2 3.23Å; V195-T199 WeakPolarHBondContact O-CG2 3.5Å; V195-T199 PolarHBondContact O-N 2.85Å; V195-T199 PolarHBondContact O-OG1 3.15Å
196L95Very high91.9Very high0 Ų051.7 Ų51.70%025%0.253CS..Hα-helixtrans-60.9-43.9176.6-70.6177.3000112T33 L35 A46 C192 I193 K198 T199 M200 L205 V210T33-L196 HydrophobicContact CG2-CD2 4.08Å; L35-L196 HydrophobicContact CD2-CD2 3.61Å; L35-L196 HydrophobicContact CD2-CG 3.79Å; A46-L196 HydrophobicContact CB-CD1 3.91Å; C192-L196 WeakPolarHBondContact O-CG 3.39Å; C192-L196 PolarHBondContact O-N 2.74Å; I193-L196 PolarHBondContact O-N 3.37Å; L196-K198 VanDerWaalsContact C-N 3.28Å; L196-K198 PolarHBondContact O-N 3.34Å; L196-T199 WeakPolarHBondContact CA-OG1 3.34Å; L196-T199 PolarHBondContact O-N 3.46Å; L196-T199 PolarHBondContact O-OG1 3.3Å; L196-M200 VanDerWaalsContact O-CB 3.28Å; L196-M200 WeakPolarHBondContact O-CB 3.42Å; L196-M200 VanDerWaalsContact O-CG 3.28Å; L196-M200 WeakPolarHBondContact O-CG 3.25Å; L196-M200 PolarHBondContact O-N 3.27Å; L196-L205 HydrophobicContact CB-CD1 4.02Å; L196-V210 HydrophobicContact CD1-CB 4.47Å; L196-V210 HydrophobicContact CD1-CG1 3.57Å; L196-V210 HydrophobicContact CD1-CG2 4.02Å
197Y93.5Very high91.6Very high75 Ų7544.9 Ų44.929%0.29422%0.222SC..Hα-helixtrans-58.1-39.5177.9-179-103.1000112.6I193 K194 V195 L205 E240 E243I193-Y197 VanDerWaalsContact O-CB 3.23Å; I193-Y197 WeakPolarHBondContact O-CB 3.48Å; I193-Y197 PolarHBondContact O-N 2.91Å; K194-Y197 PolarHBondContact O-N 3.13Å; V195-Y197 PolarHBondContact O-N 3.13Å; Y197-L205 HydrophobicContact CD2-CB 4.3Å; Y197-L205 HydrophobicContact CD2-CD2 4.31Å; Y197-E240 HydrophobicContact CD2-CG 4.21Å; Y197-E240 HydrophobicContact CE2-CG 3.65Å; Y197-E243 HydrophobicContact CD1-CG 4.27Å; Y197-E243 HydrophobicContact CE1-CB 4.06Å; Y197-E243 HydrophobicContact CE1-CG 4.24Å
198K92.8Very high91.2Very high93 Ų9344.3 Ų44.340%0.40422%0.22SC..Hα-helixtrans-79.9-26.9178.9-70.5-172.4-178.8-163.50114I174 K194 V195 L196 E243I174-K198 HydrophobicContact CD1-CB 3.6Å; I174-K198 HydrophobicContact CD1-CD 3.8Å; I174-K198 HydrophobicContact CD1-CG 4.29Å; I174-K198 HydrophobicContact CG1-CD 4.4Å; K194-K198 WeakPolarHBondContact O-CG 3.41Å; K194-K198 PolarHBondContact O-N 3.14Å; V195-K198 PolarHBondContact O-N 3.01Å; L196-K198 VanDerWaalsContact C-N 3.28Å; L196-K198 PolarHBondContact O-N 3.34Å; K198-E243 WeakPolarHBondContact CE-OE2 3.39Å; K198-E243 IonicContact NZ-OE1 2.73Å; K198-E243 PolarHBondContact NZ-OE1 3.01Å; K198-E243 IonicContact NZ-OE2 3.55Å; K198-E243 PolarHBondContact NZ-OE2 2.89Å
199T91.5Very high90.9Very high3 Ų346.2 Ų46.22%0.01823%0.228CC..Hα-helixtrans-98.8-22.3-172.455.20000113.1N167 A170 A171 I174 V195 L196 T201N167-T199 PolarHBondContact ND2-O 3.27Å; A170-T199 HydrophobicContact CB-CG2 4.46Å; A171-T199 HydrophobicContact CB-CG2 3.84Å; I174-T199 HydrophobicContact CD1-CG2 4.23Å; V195-T199 HydrophobicContact CG1-CG2 4.25Å; V195-T199 WeakPolarHBondContact O-CB 3.24Å; V195-T199 VanDerWaalsContact O-CG2 3.23Å; V195-T199 WeakPolarHBondContact O-CG2 3.5Å; V195-T199 PolarHBondContact O-N 2.85Å; V195-T199 PolarHBondContact O-OG1 3.15Å; L196-T199 WeakPolarHBondContact CA-OG1 3.34Å; L196-T199 PolarHBondContact O-N 3.46Å; L196-T199 PolarHBondContact O-OG1 3.3Å; T199-T201 PolarHBondContact O-N 2.88Å; T199-T201 VanDerWaalsContact O-N 3.09Å
200M87.4Confident90.6Very high19 Ų1946.3 Ų46.39%0.09423%0.228CC..  trans-77.294.4173.8-71.5-172.46700110.5E48 L196 L205 K209E48-M200 HydrophobicContact CG-CE 3.91Å; E48-M200 HydrophobicContact CG-SD 4.17Å; L196-M200 VanDerWaalsContact O-CB 3.28Å; L196-M200 WeakPolarHBondContact O-CB 3.42Å; L196-M200 VanDerWaalsContact O-CG 3.28Å; L196-M200 WeakPolarHBondContact O-CG 3.25Å; L196-M200 PolarHBondContact O-N 3.27Å; M200-L205 HydrophobicContact CE-CD1 4.43Å; M200-L205 HydrophobicContact SD-CD1 3.31Å; M200-L205 WeakPolarHBondContact SD-CD1 3.12Å; M200-K209 HydrophobicContact CE-CB 4.06Å; M200-K209 HydrophobicContact CE-CD 3.96Å; M200-K209 HydrophobicContact CE-CG 4.49Å
201T78.1Confident90.5Very high98 Ų9843 Ų4360%0.60121%0.214SC*.  trans-88-24.3-178.251.40000113.7T199T199-T201 PolarHBondContact O-N 2.88Å; T199-T201 VanDerWaalsContact O-N 3.09Å
202M75Confident90.4Very high170 Ų17042.1 Ų42.184%0.83721%0.21SC*.SBendtrans-81.3-22.3-169.8-63.6-63.1143.300113.8
203S79.5Confident90.3Very high48 Ų4842.1 Ų42.134%0.33621%0.21SC..SBendtrans-164.2160.6-176.863.40000111.8L205 K209S203-L205 PolarHBondContact O-N 2.85Å; S203-K209 PolarHBondContact OG-NZ 3.3Å
204K86.9Confident90.4Very high134 Ų13442.2 Ų42.258%0.58321%0.21SC*.  trans-58.9138.3173.6-170.2175.6179.3175.90110.4T206 K209 E240K204-T206 PolarHBondContact O-N 3.02Å; K204-K209 PolarHBondContact O-NZ 2.83Å; K204-E240 WeakPolarHBondContact CE-OE1 3.37Å; K204-E240 IonicContact NZ-OE1 3.16Å; K204-E240 PolarHBondContact NZ-OE1 2.98Å; K204-E240 VanDerWaalsContact NZ-OE1 3.16Å; K204-E240 IonicContact NZ-OE2 3.13Å; K204-E240 PolarHBondContact NZ-OE2 3.28Å; K204-E240 VanDerWaalsContact NZ-OE2 3.13Å
205L89.9Confident90.5Very high6 Ų640.9 Ų40.93%0.03120%0.204CC..  trans-63.8121.6170.3-169.369.6000109.3I193 L196 Y197 M200 S203 V210 I236I193-L205 HydrophobicContact CG2-CD2 4.06Å; L196-L205 HydrophobicContact CB-CD1 4.02Å; Y197-L205 HydrophobicContact CD2-CB 4.3Å; Y197-L205 HydrophobicContact CD2-CD2 4.31Å; M200-L205 HydrophobicContact CE-CD1 4.43Å; M200-L205 HydrophobicContact SD-CD1 3.31Å; M200-L205 WeakPolarHBondContact SD-CD1 3.12Å; S203-L205 PolarHBondContact O-N 2.85Å; L205-V210 HydrophobicContact CD1-CG2 3.37Å; L205-V210 HydrophobicContact CG-CG2 4.23Å; L205-I236 HydrophobicContact CD2-CD1 4.22Å; L205-I236 HydrophobicContact CD2-CG1 3.84Å; L205-I236 HydrophobicContact CD2-CG2 4.33Å; L205-I236 HydrophobicContact CG-CD1 3.97Å; L205-I236 HydrophobicContact CG-CG1 4.16Å
206T91.5Very high90.5Very high48 Ų4841.6 Ų41.629%0.29421%0.208SC..  trans-129.1156.8171.965.40000108.5K204 E208 K209K204-T206 PolarHBondContact O-N 3.02Å; T206-E208 PolarHBondContact O-N 3.01Å; T206-K209 PolarHBondContact O-N 3.2Å; T206-K209 WeakPolarHBondContact OG1-CG 3.44Å
207S91Very high90.6Very high11 Ų1144.6 Ų44.68%0.07722%0.219CC..G310 helixtrans-58.5-32.9178.648.90000113.2K209 V210 D233S207-K209 PolarHBondContact O-N 2.86Å; S207-V210 PolarHBondContact O-N 3.37Å; S207-D233 WeakPolarHBondContact CB-OD1 3.42Å; S207-D233 VanDerWaalsContact OG-CG 3.28Å; S207-D233 PolarHBondContact OG-OD1 3.38Å; S207-D233 PolarHBondContact OG-OD2 3.37Å
208E88.6Confident90.6Very high90 Ų9047.7 Ų47.742%0.42123%0.23SC..G310 helixtrans-60.8-27.3174.1-65.1170.8-170.300113.2I52 T206 V210I52-E208 HydrophobicContact CG2-CB 4.4Å; T206-E208 PolarHBondContact O-N 3.01Å; E208-V210 VanDerWaalsContact C-N 3.34Å
209K90.7Very high90.5Very high40 Ų4050.5 Ų50.517%0.17425%0.249CC..G310 helixtrans-87.1-3.6-179.3-42.3-132.5164.8131.40113.8E48 K49 I52 M200 S203 K204 T206 S207E48-K209 CarbonylContact C-O 3.45Å; E48-K209 WeakPolarHBondContact CA-O 3.3Å; K49-K209 PolarHBondContact N-O 3.28Å; I52-K209 HydrophobicContact CD1-CB 3.74Å; I52-K209 HydrophobicContact CD1-CD 3.34Å; I52-K209 VanDerWaalsContact CD1-CE 3.44Å; I52-K209 HydrophobicContact CD1-CG 3.29Å; M200-K209 HydrophobicContact CE-CB 4.06Å; M200-K209 HydrophobicContact CE-CD 3.96Å; M200-K209 HydrophobicContact CE-CG 4.49Å; S203-K209 PolarHBondContact OG-NZ 3.3Å; K204-K209 PolarHBondContact O-NZ 2.83Å; T206-K209 PolarHBondContact O-N 3.2Å; T206-K209 WeakPolarHBondContact OG1-CG 3.44Å; S207-K209 PolarHBondContact O-N 2.86Å
210V92.1Very high90.4Very high9 Ų958.1 Ų58.16%0.05529%0.285CS..EExtended strand (participates in β ladder)trans-129.7131-170.6-174.80000109.8A47 I193 L196 L205 S207 E208 I212 V232A47-V210 WeakPolarHBondContact O-CA 3.44Å; I193-V210 HydrophobicContact CD1-CG1 4.29Å; L196-V210 HydrophobicContact CD1-CB 4.47Å; L196-V210 HydrophobicContact CD1-CG1 3.57Å; L196-V210 HydrophobicContact CD1-CG2 4.02Å; L205-V210 HydrophobicContact CD1-CG2 3.37Å; L205-V210 HydrophobicContact CG-CG2 4.23Å; S207-V210 PolarHBondContact O-N 3.37Å; E208-V210 VanDerWaalsContact C-N 3.34Å; V210-I212 HydrophobicContact CG1-CD1 4.35Å; V210-I212 HydrophobicContact CG1-CG1 3.74Å; V210-V232 HydrophobicContact CB-CG1 4.33Å
211E93.4Very high90.7Very high13 Ų1363.9 Ų63.96%0.06131%0.31CS..EExtended strand (participates in β ladder)trans-107.6132163.1-158.9160.1-109.700109.3A46 A47 K49 K64 I65 L226A46-E211 CarbonylContact C-O 3.58Å; A46-E211 WeakPolarHBondContact CA-O 3.34Å; A47-E211 PolarHBondContact N-O 3.44Å; A47-E211 PolarHBondContact O-N 3.08Å; K49-E211 VanDerWaalsContact CE-CB 3.49Å; K49-E211 WeakPolarHBondContact CE-OE1 3.4Å; K49-E211 IonicContact NZ-OE1 3.04Å; K49-E211 PolarHBondContact NZ-OE1 3.33Å; K64-E211 WeakPolarHBondContact CA-OE2 3.41Å; K64-E211 PolarHBondContact N-OE2 3.2Å; I65-E211 HydrophobicContact CD1-CB 4.33Å; I65-E211 HydrophobicContact CD1-CG 4.07Å; I65-E211 HydrophobicContact CG1-CG 4.31Å; I65-E211 PolarHBondContact N-OE2 3.07Å; E211-L226 HydrophobicContact CG-CD2 4.14Å
212I95.7Very high91.5Very high1 Ų160.1 Ų60.11%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-122.3123.7174-47.7177.4000108.7V44 L45 A46 T189 I193 V210 V214 L226 I227 V232V44-I212 HydrophobicContact CG1-CG2 3.64Å; L45-I212 CarbonylContact O-C 3.5Å; L45-I212 VanDerWaalsContact O-CA 3.3Å; L45-I212 WeakPolarHBondContact O-CA 3.4Å; L45-I212 WeakPolarHBondContact O-CG2 3.42Å; A46-I212 HydrophobicContact CB-CG1 4.45Å; T189-I212 HydrophobicContact CG2-CD1 4.07Å; T189-I212 HydrophobicContact CG2-CG2 4.25Å; I193-I212 HydrophobicContact CD1-CD1 3.74Å; I193-I212 HydrophobicContact CG1-CD1 4.09Å; V210-I212 HydrophobicContact CG1-CD1 4.35Å; V210-I212 HydrophobicContact CG1-CG1 3.74Å; I212-V214 HydrophobicContact CG2-CG2 4.43Å; I212-L226 CarbonylContact O-C 3.6Å; I212-L226 WeakPolarHBondContact O-CA 3.25Å; I212-I227 HydrophobicContact CB-CB 4.14Å; I212-I227 HydrophobicContact CB-CD1 3.96Å; I212-I227 HydrophobicContact CB-CG1 4.08Å; I212-I227 HydrophobicContact CD1-CD1 4.35Å; I212-I227 HydrophobicContact CG2-CD1 3.59Å; I212-I227 HydrophobicContact CG2-CG1 4.08Å; I212-I227 PolarHBondContact O-N 3.41Å; I212-V232 HydrophobicContact CD1-CG1 4.31Å; I212-V232 HydrophobicContact CD1-CG2 3.91Å; I212-V232 HydrophobicContact CG1-CG2 4.29Å
213G96Very high92.3Very high0 Ų057.2 Ų57.20%027%0.267CS..EExtended strand (participates in β ladder)trans-111136.6173.900000109.8V44 L45 R225V44-G213 WeakPolarHBondContact CA-O 3.47Å; L45-G213 PolarHBondContact N-O 2.97Å; L45-G213 PolarHBondContact O-N 3.14Å; G213-R225 CarbonylContact C-O 3.56Å; G213-R225 WeakPolarHBondContact CA-O 3.3Å
214V97.3Very high93Very high1 Ų156.9 Ų56.91%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-124.4126.1179.6173.70000108.8I43 V44 V185 I212 Q216 V224 R225 I227I43-V214 WeakPolarHBondContact O-CA 3.45Å; V44-V214 HydrophobicContact CG1-CG2 4.44Å; V44-V214 HydrophobicContact CG2-CG2 4.34Å; V185-V214 HydrophobicContact CG1-CG1 3.56Å; V185-V214 HydrophobicContact CG1-CG2 4.31Å; I212-V214 HydrophobicContact CG2-CG2 4.43Å; V214-Q216 HydrophobicContact CG1-CG 3.78Å; V214-V224 WeakPolarHBondContact O-CA 3.43Å; V214-R225 HydrophobicContact CB-CG 4.17Å; V214-R225 PolarHBondContact N-O 3.44Å; V214-R225 PolarHBondContact O-N 3.2Å; V214-I227 HydrophobicContact CG2-CD1 3.78Å; V214-I227 HydrophobicContact CG2-CG1 4Å
215L97.9Very high93.2Very high0 Ų055.8 Ų55.80%026%0.255CS..EExtended strand (participates in β ladder)trans-105.5119.6170.8-172.6156.1000109.1G42 I43 I137 W139 Y145 T222 Y223 V224G42-L215 CarbonylContact C-O 3.58Å; G42-L215 WeakPolarHBondContact CA-O 3.49Å; I43-L215 PolarHBondContact N-O 3.11Å; I43-L215 PolarHBondContact O-N 3.33Å; I137-L215 HydrophobicContact CB-CD1 4.44Å; I137-L215 HydrophobicContact CD1-CB 3.59Å; I137-L215 HydrophobicContact CD1-CD1 4.23Å; I137-L215 HydrophobicContact CG1-CB 4.24Å; I137-L215 HydrophobicContact CG1-CD1 3.98Å; W139-L215 HydrophobicContact CB-CD2 4.1Å; Y145-L215 HydrophobicContact CD1-CD2 3.91Å; Y145-L215 HydrophobicContact CE1-CD2 3.77Å; L215-T222 HydrophobicContact CD1-CG2 4.11Å; L215-T222 HydrophobicContact CD2-CG2 3.67Å; L215-T222 HydrophobicContact CG-CG2 3.7Å; L215-Y223 WeakPolarHBondContact CA-O 3.47Å; L215-V224 HydrophobicContact CB-CG2 4.43Å; L215-V224 HydrophobicContact CD1-CG2 3.95Å; L215-V224 HydrophobicContact CG-CG2 4.12Å
216Q97.4Very high93.4Very high15 Ų1558.7 Ų58.77%0.0727%0.27CS..EExtended strand (participates in β ladder)trans-134.4150.7175.5-71.3-172.9-64.100110.4D41 V185 V214 Y223D41-Q216 WeakPolarHBondContact O-CG 3.49Å; D41-Q216 PolarHBondContact O-NE2 3.11Å; D41-Q216 PolarHBondContact OD2-NE2 3.13Å; D41-Q216 VanDerWaalsContact OD2-NE2 3.07Å; V185-Q216 HydrophobicContact CG2-CG 4.05Å; V214-Q216 HydrophobicContact CG1-CG 3.78Å; Q216-Y223 PolarHBondContact N-O 3.16Å; Q216-Y223 PolarHBondContact O-N 3.23Å
217R95.9Very high93.4Very high63 Ų6357.5 Ų57.524%0.23826%0.262CS..EExtended strand (participates in β ladder)trans-105.8125.2171.6-168.9173.9-18085.9-1.8110.5W139 Y145 E220 K221 T222W139-R217 VanDerWaalsContact CH2-NE 3.29Å; W139-R217 VanDerWaalsContact CZ2-CD 3.46Å; W139-R217 VanDerWaalsContact CZ2-NE 3.31Å; Y145-R217 HydrophobicContact CE1-CB 4.43Å; Y145-R217 WeakPolarHBondContact OH-CB 3.4Å; Y145-R217 PolarHBondContact OH-N 3.49Å; R217-E220 PolarHBondContact NH1-O 3.09Å; R217-E220 PolarHBondContact NH2-O 3.29Å; R217-K221 CarbonylContact C-O 3.47Å; R217-K221 WeakPolarHBondContact CA-O 3.36Å; R217-T222 PolarHBondContact NH1-OG1 2.95Å
218R93.5Very high93.5Very high139 Ų13962.2 Ų62.253%0.52529%0.286SS..EExtended strand (participates in β ladder)trans-134.7132.9175.5-56.7-179-175.5-173.90.5109.3E220 K221 Y223R218-E220 VanDerWaalsContact C-N 3.28Å; R218-E220 PolarHBondContact O-N 2.8Å; R218-K221 PolarHBondContact N-O 3.36Å; R218-K221 PolarHBondContact O-N 2.84Å; R218-Y223 HydrophobicContact CB-CD2 4.24Å; R218-Y223 HydrophobicContact CB-CE2 3.81Å; R218-Y223 HydrophobicContact CG-CD2 4.5Å; R218-Y223 WeakPolarHBondContact O-CE2 3.3Å
219N91.2Very high93.5Very high152 Ų15262.8 Ų62.881%0.81329%0.289SS*.THydrogen-bonded Turntrans49.748.3-179.3-55.6-22.5000112.5K221N219-K221 PolarHBondContact O-N 2.93Å
220E88.5Confident93.6Very high164 Ų16464.6 Ų64.677%0.76631%0.307SS*.THydrogen-bonded Turntrans61.210-179.3-52.8-173.4159.600116.5R217 R218R217-E220 PolarHBondContact NH1-O 3.09Å; R217-E220 PolarHBondContact NH2-O 3.29Å; R218-E220 VanDerWaalsContact C-N 3.28Å; R218-E220 PolarHBondContact O-N 2.8Å
221K94Very high93.7Very high140 Ų14068.6 Ų68.661%0.60933%0.325SS*.EExtended strand (participates in β ladder)trans-113.6138.1174.4-66.9-173.1178.3-175.40110.8R217 R218 N219 Y223R217-K221 CarbonylContact C-O 3.47Å; R217-K221 WeakPolarHBondContact CA-O 3.36Å; R218-K221 PolarHBondContact N-O 3.36Å; R218-K221 PolarHBondContact O-N 2.84Å; N219-K221 PolarHBondContact O-N 2.93Å; K221-Y223 HydrophobicContact CB-CE2 3.85Å; K221-Y223 VanDerWaalsContact O-CD2 3.28Å; K221-Y223 WeakPolarHBondContact O-CD2 3.46Å; K221-Y223 WeakPolarHBondContact O-CE2 3.49Å
222T95.7Very high93.7Very high18 Ų1868.1 Ų68.111%0.1132%0.322CS..EExtended strand (participates in β ladder)trans-86.4138.7174.2-52.90000109.6D71 L215 R217D71-T222 WeakPolarHBondContact OD1-CB 3.49Å; D71-T222 PolarHBondContact OD1-OG1 3.12Å; L215-T222 HydrophobicContact CD1-CG2 4.11Å; L215-T222 HydrophobicContact CD2-CG2 3.67Å; L215-T222 HydrophobicContact CG-CG2 3.7Å; R217-T222 PolarHBondContact NH1-OG1 2.95Å
223Y92.5Very high93.7Very high110 Ų11070.9 Ų70.943%0.43134%0.337SS..EExtended strand (participates in β ladder)trans-126.1123177.8-58.5-92.2000108.2L215 Q216 R218 K221L215-Y223 WeakPolarHBondContact CA-O 3.47Å; Q216-Y223 PolarHBondContact N-O 3.16Å; Q216-Y223 PolarHBondContact O-N 3.23Å; R218-Y223 HydrophobicContact CB-CD2 4.24Å; R218-Y223 HydrophobicContact CB-CE2 3.81Å; R218-Y223 HydrophobicContact CG-CD2 4.5Å; R218-Y223 WeakPolarHBondContact O-CE2 3.3Å; K221-Y223 HydrophobicContact CB-CE2 3.85Å; K221-Y223 VanDerWaalsContact O-CD2 3.28Å; K221-Y223 WeakPolarHBondContact O-CD2 3.46Å; K221-Y223 WeakPolarHBondContact O-CE2 3.49Å
224V92.7Very high93.7Very high41 Ų4175.1 Ų75.125%0.24836%0.363CS..EExtended strand (participates in β ladder)trans-103.9117.5167.3-176.70000107.1A73 V214 L215A73-V224 HydrophobicContact CB-CG1 3.85Å; A73-V224 HydrophobicContact CB-CG2 4.21Å; V214-V224 WeakPolarHBondContact O-CA 3.43Å; L215-V224 HydrophobicContact CB-CG2 4.43Å; L215-V224 HydrophobicContact CD1-CG2 3.95Å; L215-V224 HydrophobicContact CG-CG2 4.12Å
225R92.4Very high93.5Very high110 Ų11076.6 Ų76.642%0.41537%0.371SS..EExtended strand (participates in β ladder)trans-126.6143.4177.567.1179.2-179.1133.2-0.1110.9G213 V214G213-R225 CarbonylContact C-O 3.56Å; G213-R225 WeakPolarHBondContact CA-O 3.3Å; V214-R225 HydrophobicContact CB-CG 4.17Å; V214-R225 PolarHBondContact N-O 3.44Å; V214-R225 PolarHBondContact O-N 3.2Å
226L93Very high93.4Very high68 Ų6877 Ų7736%0.35637%0.373SS..EExtended strand (participates in β ladder)trans-85.9141.4165.2-60179.1000109I65 E211 I212I65-L226 HydrophobicContact CB-CD2 4.15Å; I65-L226 HydrophobicContact CD1-CD2 4.33Å; I65-L226 HydrophobicContact CG2-CD2 4.24Å; E211-L226 HydrophobicContact CG-CD2 4.14Å; I212-L226 CarbonylContact O-C 3.6Å; I212-L226 WeakPolarHBondContact O-CA 3.25Å
227I92.7Very high93.2Very high22 Ų2283.4 Ų83.411%0.11340%0.401CS..PPolyproline II helixtrans-81.2132.2175.5-58.8-170.8000108.8T189 I212 V214 Q231 V232T189-I227 HydrophobicContact CG2-CD1 3.9Å; I212-I227 HydrophobicContact CB-CB 4.14Å; I212-I227 HydrophobicContact CB-CD1 3.96Å; I212-I227 HydrophobicContact CB-CG1 4.08Å; I212-I227 HydrophobicContact CD1-CD1 4.35Å; I212-I227 HydrophobicContact CG2-CD1 3.59Å; I212-I227 HydrophobicContact CG2-CG1 4.08Å; I212-I227 PolarHBondContact O-N 3.41Å; V214-I227 HydrophobicContact CG2-CD1 3.78Å; V214-I227 HydrophobicContact CG2-CG1 4Å; I227-Q231 HydrophobicContact CG2-CB 3.54Å; I227-V232 HydrophobicContact CB-CG2 4.22Å; I227-V232 HydrophobicContact CG2-CG2 3.8Å
228N91.8Very high93.2Very high110 Ų11083 Ų8359%0.58841%0.405SS*.PPolyproline II helixtrans-66.4147.6178.4-66.5-8.1000111.3S230 Q231 V232N228-S230 VanDerWaalsContact C-N 3.26Å; N228-S230 PolarHBondContact O-N 3.14Å; N228-S230 VanDerWaalsContact O-N 3.13Å; N228-Q231 WeakPolarHBondContact O-CB 3.49Å; N228-Q231 PolarHBondContact O-N 3.19Å; N228-V232 PolarHBondContact O-N 2.69Å; N228-V232 VanDerWaalsContact O-N 3.14Å
229Q89.7Confident93.1Very high102 Ų10276.4 Ų76.448%0.47738%0.381SS..Hα-helixtrans-52.7-39.2-178.3-69.6177.3-5.900113.6Q231 V232 D233Q229-Q231 VanDerWaalsContact C-N 3.31Å; Q229-Q231 PolarHBondContact O-N 3.34Å; Q229-V232 CarbonylContact O-C 3.58Å; Q229-V232 WeakPolarHBondContact O-CA 3.33Å; Q229-V232 WeakPolarHBondContact O-CB 3.48Å; Q229-V232 PolarHBondContact O-N 3.41Å; Q229-V232 VanDerWaalsContact O-N 3.11Å; Q229-D233 PolarHBondContact O-N 3.3Å
230S93.1Very high93.1Very high79 Ų7970.9 Ų70.955%0.55235%0.35SS*.Hα-helixtrans-62.7-34178.658.90000113.9N228 T234N228-S230 VanDerWaalsContact C-N 3.26Å; N228-S230 PolarHBondContact O-N 3.14Å; N228-S230 VanDerWaalsContact O-N 3.13Å; S230-T234 PolarHBondContact O-N 3.49Å; S230-T234 PolarHBondContact O-OG1 2.77Å
231Q93.4Very high93.2Very high93 Ų9364.6 Ų64.644%0.43533%0.329SS..Hα-helixtrans-73.4-40.4174-69.7-178-28.200110.5I227 N228 Q229 D233 T234 L235I227-Q231 HydrophobicContact CG2-CB 3.54Å; N228-Q231 WeakPolarHBondContact O-CB 3.49Å; N228-Q231 PolarHBondContact O-N 3.19Å; Q229-Q231 VanDerWaalsContact C-N 3.31Å; Q229-Q231 PolarHBondContact O-N 3.34Å; Q231-D233 VanDerWaalsContact C-N 3.35Å; Q231-D233 PolarHBondContact O-N 3.13Å; Q231-T234 PolarHBondContact O-N 2.93Å; Q231-L235 WeakPolarHBondContact O-CG 3.34Å; Q231-L235 PolarHBondContact O-N 3.19Å
232V93.9Very high93.1Very high2 Ų261.7 Ų61.71%0.01232%0.317CS..Hα-helixtrans-59.3-45.1173.8-178.70000110.8I193 V210 I212 I227 N228 Q229 T234 L235 I236I193-V232 HydrophobicContact CD1-CG1 4.34Å; V210-V232 HydrophobicContact CB-CG1 4.33Å; I212-V232 HydrophobicContact CD1-CG1 4.31Å; I212-V232 HydrophobicContact CD1-CG2 3.91Å; I212-V232 HydrophobicContact CG1-CG2 4.29Å; I227-V232 HydrophobicContact CB-CG2 4.22Å; I227-V232 HydrophobicContact CG2-CG2 3.8Å; N228-V232 PolarHBondContact O-N 2.69Å; N228-V232 VanDerWaalsContact O-N 3.14Å; Q229-V232 CarbonylContact O-C 3.58Å; Q229-V232 WeakPolarHBondContact O-CA 3.33Å; Q229-V232 WeakPolarHBondContact O-CB 3.48Å; Q229-V232 PolarHBondContact O-N 3.41Å; Q229-V232 VanDerWaalsContact O-N 3.11Å; V232-T234 VanDerWaalsContact C-N 3.29Å; V232-T234 PolarHBondContact O-N 3.36Å; V232-L235 WeakPolarHBondContact O-CB 3.44Å; V232-L235 PolarHBondContact O-N 2.87Å; V232-L235 VanDerWaalsContact O-N 3.17Å; V232-I236 HydrophobicContact CG1-CD1 3.81Å; V232-I236 HydrophobicContact CG1-CG1 4.27Å; V232-I236 VanDerWaalsContact O-CG1 3.3Å; V232-I236 WeakPolarHBondContact O-CG1 3.22Å; V232-I236 PolarHBondContact O-N 3.2Å
233D94.8Very high92.6Very high60 Ų6061.9 Ų61.932%0.32132%0.317SS..Hα-helixtrans-58.2-40.4176.2-76.8-31.4000112.9S207 Q229 Q231 I236 K237S207-D233 WeakPolarHBondContact CB-OD1 3.42Å; S207-D233 VanDerWaalsContact OG-CG 3.28Å; S207-D233 PolarHBondContact OG-OD1 3.38Å; S207-D233 PolarHBondContact OG-OD2 3.37Å; Q229-D233 PolarHBondContact O-N 3.3Å; Q231-D233 VanDerWaalsContact C-N 3.35Å; Q231-D233 PolarHBondContact O-N 3.13Å; D233-I236 PolarHBondContact O-N 2.99Å; D233-K237 WeakPolarHBondContact O-CG 3.46Å; D233-K237 PolarHBondContact O-N 2.9Å
234T95.5Very high92.1Very high89 Ų8960.9 Ų60.955%0.54632%0.323SS..Hα-helixtrans-66-41.7178.7-570000110.8S230 Q231 V232 K237 T238S230-T234 PolarHBondContact O-N 3.49Å; S230-T234 PolarHBondContact O-OG1 2.77Å; Q231-T234 PolarHBondContact O-N 2.93Å; V232-T234 VanDerWaalsContact C-N 3.29Å; V232-T234 PolarHBondContact O-N 3.36Å; T234-K237 PolarHBondContact O-N 3.02Å; T234-T238 PolarHBondContact O-N 3.2Å; T234-T238 VanDerWaalsContact O-N 3.07Å; T234-T238 PolarHBondContact O-OG1 2.67Å
235L94.7Very high91.3Very high32 Ų3266.9 Ų66.917%0.16835%0.348CS..Hα-helixtrans-65.6-43.8176.1-69.9163.7000111.7T189 K190 I193 Q231 V232 K237 T238 V239T189-L235 HydrophobicContact CG2-CD1 3.61Å; K190-L235 HydrophobicContact CG-CD2 3.92Å; I193-L235 HydrophobicContact CG1-CB 4.28Å; Q231-L235 WeakPolarHBondContact O-CG 3.34Å; Q231-L235 PolarHBondContact O-N 3.19Å; V232-L235 WeakPolarHBondContact O-CB 3.44Å; V232-L235 PolarHBondContact O-N 2.87Å; V232-L235 VanDerWaalsContact O-N 3.17Å; L235-K237 PolarHBondContact O-N 3.4Å; L235-T238 WeakPolarHBondContact O-CB 3.5Å; L235-T238 PolarHBondContact O-N 3.12Å; L235-V239 WeakPolarHBondContact O-CG2 3.3Å; L235-V239 PolarHBondContact O-N 3.38Å
236I94.8Very high90.4Very high8 Ų868.5 Ų68.54%0.04136%0.358CS..Hα-helixtrans-58-50.1176-68.4169.8000110.2I193 L205 V232 D233 T238 V239 E240I193-I236 HydrophobicContact CD1-CG1 4.24Å; I193-I236 HydrophobicContact CG2-CG1 4.1Å; L205-I236 HydrophobicContact CD2-CD1 4.22Å; L205-I236 HydrophobicContact CD2-CG1 3.84Å; L205-I236 HydrophobicContact CD2-CG2 4.33Å; L205-I236 HydrophobicContact CG-CD1 3.97Å; L205-I236 HydrophobicContact CG-CG1 4.16Å; V232-I236 HydrophobicContact CG1-CD1 3.81Å; V232-I236 HydrophobicContact CG1-CG1 4.27Å; V232-I236 VanDerWaalsContact O-CG1 3.3Å; V232-I236 WeakPolarHBondContact O-CG1 3.22Å; V232-I236 PolarHBondContact O-N 3.2Å; D233-I236 PolarHBondContact O-N 2.99Å; I236-T238 VanDerWaalsContact C-N 3.27Å; I236-T238 PolarHBondContact O-N 3.37Å; I236-V239 PolarHBondContact O-N 3.31Å; I236-E240 HydrophobicContact CG2-CG 4.22Å; I236-E240 WeakPolarHBondContact O-CB 3.43Å; I236-E240 WeakPolarHBondContact O-CG 3.43Å; I236-E240 PolarHBondContact O-N 2.92Å
237K94.4Very high88.4Confident150 Ų15076.3 Ų76.365%0.65239%0.389SS*.Hα-helixtrans-59.6-37.8178.5-73.5173.4-176.3174.30112.8D233 T234 L235 G241D233-K237 WeakPolarHBondContact O-CG 3.46Å; D233-K237 PolarHBondContact O-N 2.9Å; T234-K237 PolarHBondContact O-N 3.02Å; L235-K237 PolarHBondContact O-N 3.4Å; K237-G241 PolarHBondContact O-N 3.38Å
238T94Very high88.2Confident53 Ų5379 Ų7933%0.32540%0.403SS..Hα-helixtrans-63.7-49.8177.7-560000110.6T234 L235 I236 G241 E242T234-T238 PolarHBondContact O-N 3.2Å; T234-T238 VanDerWaalsContact O-N 3.07Å; T234-T238 PolarHBondContact O-OG1 2.67Å; L235-T238 WeakPolarHBondContact O-CB 3.5Å; L235-T238 PolarHBondContact O-N 3.12Å; I236-T238 VanDerWaalsContact C-N 3.27Å; I236-T238 PolarHBondContact O-N 3.37Å; T238-G241 PolarHBondContact O-N 3.31Å; T238-E242 WeakPolarHBondContact O-CG 3.45Å; T238-E242 PolarHBondContact O-N 3.1Å
239V92.6Very high88Confident2 Ų277.4 Ų77.41%0.01239%0.393CS..Hα-helixtrans-66-40179.4171.30000111.8I193 K194 L235 I236 G241 E242 E243I193-V239 HydrophobicContact CB-CG2 4.19Å; I193-V239 HydrophobicContact CG2-CB 3.95Å; I193-V239 HydrophobicContact CG2-CG1 4.27Å; I193-V239 HydrophobicContact CG2-CG2 3.73Å; K194-V239 HydrophobicContact CB-CG1 4.05Å; L235-V239 WeakPolarHBondContact O-CG2 3.3Å; L235-V239 PolarHBondContact O-N 3.38Å; I236-V239 PolarHBondContact O-N 3.31Å; V239-G241 VanDerWaalsContact C-N 3.29Å; V239-G241 PolarHBondContact O-N 3.46Å; V239-E242 PolarHBondContact O-N 2.91Å; V239-E243 HydrophobicContact CG1-CG 4.34Å; V239-E243 WeakPolarHBondContact O-CG 3.39Å; V239-E243 PolarHBondContact O-N 3.25Å
240E90.4Very high87.9Confident36 Ų3676 Ų7617%0.16839%0.388CS..Hα-helixtrans-58.3-41.6173.9-77.2-172.7175.100111.6Y197 K204 I236 T244Y197-E240 HydrophobicContact CD2-CG 4.21Å; Y197-E240 HydrophobicContact CE2-CG 3.65Å; K204-E240 WeakPolarHBondContact CE-OE1 3.37Å; K204-E240 IonicContact NZ-OE1 3.16Å; K204-E240 PolarHBondContact NZ-OE1 2.98Å; K204-E240 VanDerWaalsContact NZ-OE1 3.16Å; K204-E240 IonicContact NZ-OE2 3.13Å; K204-E240 PolarHBondContact NZ-OE2 3.28Å; K204-E240 VanDerWaalsContact NZ-OE2 3.13Å; I236-E240 HydrophobicContact CG2-CG 4.22Å; I236-E240 WeakPolarHBondContact O-CB 3.43Å; I236-E240 WeakPolarHBondContact O-CG 3.43Å; I236-E240 PolarHBondContact O-N 2.92Å; E240-T244 WeakPolarHBondContact O-CB 3.22Å; E240-T244 PolarHBondContact O-N 3.47Å; E240-T244 VanDerWaalsContact O-N 3.11Å; E240-T244 PolarHBondContact O-OG1 3.27Å
241G91.4Very high87.6Confident31 Ų3175.8 Ų75.832%0.3238%0.378SS..Hα-helixtrans-63.8-46.5175.900000113K237 T238 V239 T244 Q245K237-G241 PolarHBondContact O-N 3.38Å; T238-G241 PolarHBondContact O-N 3.31Å; V239-G241 VanDerWaalsContact C-N 3.29Å; V239-G241 PolarHBondContact O-N 3.46Å; G241-T244 PolarHBondContact O-N 3.18Å; G241-Q245 WeakPolarHBondContact O-CG 3.42Å; G241-Q245 PolarHBondContact O-N 3.07Å
242E91.2Very high87.2Confident80 Ų8074.8 Ų74.837%0.37438%0.375SS..Hα-helixtrans-65.3-40.1-180-70.6175.2-171.200112.8T238 V239 Q245 K246T238-E242 WeakPolarHBondContact O-CG 3.45Å; T238-E242 PolarHBondContact O-N 3.1Å; V239-E242 PolarHBondContact O-N 2.91Å; E242-Q245 PolarHBondContact O-N 3.33Å; E242-K246 WeakPolarHBondContact O-CG 3.09Å; E242-K246 PolarHBondContact O-N 3.17Å
243E85.7Confident86.8Confident21 Ų2179.6 Ų79.610%0.09840%0.399CS..Hα-helixtrans-75.8-25.4179.3-70.5-65.9133.100112.8K194 Y197 K198 V239K194-E243 WeakPolarHBondContact CE-OE1 3.49Å; Y197-E243 HydrophobicContact CD1-CG 4.27Å; Y197-E243 HydrophobicContact CE1-CB 4.06Å; Y197-E243 HydrophobicContact CE1-CG 4.24Å; K198-E243 WeakPolarHBondContact CE-OE2 3.39Å; K198-E243 IonicContact NZ-OE1 2.73Å; K198-E243 PolarHBondContact NZ-OE1 3.01Å; K198-E243 IonicContact NZ-OE2 3.55Å; K198-E243 PolarHBondContact NZ-OE2 2.89Å; V239-E243 HydrophobicContact CG1-CG 4.34Å; V239-E243 WeakPolarHBondContact O-CG 3.39Å; V239-E243 PolarHBondContact O-N 3.25Å
244T82.8Confident86.2Confident90 Ų9081 Ų8155%0.55241%0.405SS*.Hα-helixtrans-73.7-33.6173.6-550000111.5E240 G241 K246 K247E240-T244 WeakPolarHBondContact O-CB 3.22Å; E240-T244 PolarHBondContact O-N 3.47Å; E240-T244 VanDerWaalsContact O-N 3.11Å; E240-T244 PolarHBondContact O-OG1 3.27Å; G241-T244 PolarHBondContact O-N 3.18Å; T244-K246 VanDerWaalsContact C-N 3.32Å; T244-K246 PolarHBondContact O-N 2.86Å; T244-K247 PolarHBondContact O-N 3.16Å
245Q75.2Confident85.5Confident167 Ų16780.4 Ų80.478%0.7839%0.394SS*.Hα-helixtrans-73.7-19.6178-71.7176.111.400114.1G241 E242 K247G241-Q245 WeakPolarHBondContact O-CG 3.42Å; G241-Q245 PolarHBondContact O-N 3.07Å; E242-Q245 PolarHBondContact O-N 3.33Å; Q245-K247 VanDerWaalsContact C-N 3.35Å
246K72.7Confident84.8Confident143 Ų14384.4 Ų84.462%0.62241%0.413SS*.THydrogen-bonded Turntrans-85.7-7178-71.7177.4-176.3172.70113.6E242 T244E242-K246 WeakPolarHBondContact O-CG 3.09Å; E242-K246 PolarHBondContact O-N 3.17Å; T244-K246 VanDerWaalsContact C-N 3.32Å; T244-K246 PolarHBondContact O-N 2.86Å
247K52Low83.8Confident232 Ų23291.4 Ų91.4100%1.00945%0.447SS*.  trans-96.30175-70.6-176.1178.2-178.60110.5T244 Q245T244-K247 PolarHBondContact O-N 3.16Å; Q245-K247 VanDerWaalsContact C-N 3.35Å

Retrieved 247 of 247 residues in 51.4 ms (Link to these results)

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