G4VKK8_SCHMA Loading...

Methyltransferase-related

AlphaFold DB , UniProt , Accession G4VKK8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 209 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.5Very low60.5Low243 Ų243116 Ų116100%1.19762%0.617SS**  0104.60-88.4169.7165.600106.9S3M1-S3 PolarHBondContact O-N 3.38Å
2A45Very low62.4Low98 Ų98110.8 Ų110.881%0.8160%0.596SS**  trans-62.2132.5165.500000107.3K4A2-K4 PolarHBondContact O-N 2.98Å
3S45.3Very low64.1Low114 Ų114103.3 Ų103.380%0.79755%0.554SS**  trans-57.2122.5173.550.20000108.3M1 D5M1-S3 PolarHBondContact O-N 3.38Å; S3-D5 PolarHBondContact O-N 3.25Å
4K55.3Low65.5Low154 Ų154104.7 Ų104.767%0.6755%0.549SS*.  trans-65.6102.6173.3-73.1-173.5175.3-170.50107.9A2 Y6A2-K4 PolarHBondContact O-N 2.98Å; K4-Y6 PolarHBondContact O-N 3.46Å
5D64.4Low66.9Low97 Ų97100.9 Ų100.952%0.51953%0.529SS..  trans-70.3116.7158.8-166.9-17.8000106.4S3 N7 D8S3-D5 PolarHBondContact O-N 3.25Å; D5-N7 PolarHBondContact O-N 3.38Å; D5-N7 WeakPolarHBondContact OD1-CB 3.47Å; D5-N7 PolarHBondContact OD1-N 3.42Å; D5-D8 HydrophobicContact CB-CB 4.29Å; D5-D8 PolarHBondContact O-N 3.31Å
6Y59.7Low68Low175 Ų175101.5 Ų101.569%0.68654%0.538SS*.G310 helixtrans-61.9-23.8179.4-85.2-89.5000111.6K4 D8 I9K4-Y6 PolarHBondContact O-N 3.46Å; Y6-D8 VanDerWaalsContact C-N 3.25Å; Y6-D8 PolarHBondContact O-N 3.22Å; Y6-I9 HydrophobicContact CD1-CD1 3.73Å; Y6-I9 HydrophobicContact CE1-CD1 4.33Å; Y6-I9 HydrophobicContact CG-CD1 4.38Å; Y6-I9 PolarHBondContact O-N 3.45Å
7N62.4Low69Low112 Ų112102.5 Ų102.560%0.59954%0.539SS*.G310 helixtrans-75.9-9.8176.4-62.9-26000113.3D5 R13D5-N7 PolarHBondContact O-N 3.38Å; D5-N7 WeakPolarHBondContact OD1-CB 3.47Å; D5-N7 PolarHBondContact OD1-N 3.42Å; N7-R13 VanDerWaalsContact O-CG 3.3Å; N7-R13 WeakPolarHBondContact O-CG 3.44Å
8D70.7Confident69.9Low54 Ų54101.7 Ų101.729%0.28955%0.55SS..G310 helixtrans-97.97.3176.4-168.932.9000112.4D5 Y6 K88D5-D8 HydrophobicContact CB-CB 4.29Å; D5-D8 PolarHBondContact O-N 3.31Å; Y6-D8 VanDerWaalsContact C-N 3.25Å; Y6-D8 PolarHBondContact O-N 3.22Å; D8-K88 IonicContact OD1-NZ 3.61Å; D8-K88 PolarHBondContact OD1-NZ 3.04Å; D8-K88 WeakPolarHBondContact OD2-CE 3.33Å; D8-K88 IonicContact OD2-NZ 2.89Å; D8-K88 PolarHBondContact OD2-NZ 3.47Å
9I72.5Confident70.9Confident75 Ų75101.1 Ų101.139%0.38555%0.554SS.*SBendtrans-80.8135.4174.4-56.7174.9000108.8Y6 G11 C12Y6-I9 HydrophobicContact CD1-CD1 3.73Å; Y6-I9 HydrophobicContact CE1-CD1 4.33Å; Y6-I9 HydrophobicContact CG-CD1 4.38Å; Y6-I9 PolarHBondContact O-N 3.45Å; I9-G11 PolarHBondContact O-N 3.21Å; I9-C12 HydrophobicContact CB-CB 4.45Å; I9-C12 WeakPolarHBondContact O-CB 3.48Å; I9-C12 PolarHBondContact O-N 3.06Å
10F73.7Confident71.8Confident126 Ų12698.7 Ų98.755%0.55354%0.54SS*.THydrogen-bonded Turntrans-54136.7173.2-178.5-94.9000112.3C12 E89F10-C12 VanDerWaalsContact C-N 3.27Å; F10-E89 WeakPolarHBondContact CB-OE2 3.46Å; F10-E89 VanDerWaalsContact CD2-OE1 3.25Å; F10-E89 WeakPolarHBondContact CD2-OE1 3.28Å; F10-E89 WeakPolarHBondContact CD2-OE2 3.47Å; F10-E89 WeakPolarHBondContact CG-OE2 3.32Å
11G78.9Confident72.5Confident28 Ų2896.8 Ų96.829%0.28953%0.532SS..THydrogen-bonded Turntrans79.55.4-175.300000113.9I9 Y14 D28I9-G11 PolarHBondContact O-N 3.21Å; G11-Y14 PolarHBondContact O-OH 3.22Å; G11-D28 VanDerWaalsContact CA-OD2 3.26Å; G11-D28 WeakPolarHBondContact CA-OD2 3.32Å; G11-D28 VanDerWaalsContact N-CG 3.33Å; G11-D28 PolarHBondContact N-OD2 3.06Å
12C83Confident74.8Confident53 Ų5395.2 Ų95.236%0.35851%0.514SS..  trans-123.73.7178.1-63.40000113.2I9 F10 Y14 D28I9-C12 HydrophobicContact CB-CB 4.45Å; I9-C12 WeakPolarHBondContact O-CB 3.48Å; I9-C12 PolarHBondContact O-N 3.06Å; F10-C12 VanDerWaalsContact C-N 3.27Å; C12-Y14 WeakPolarHBondContact O-CD2 3.25Å; C12-Y14 PolarHBondContact O-N 3.41Å; C12-D28 PolarHBondContact N-OD2 2.62Å
13R85Confident76.6Confident14 Ų1497.5 Ų97.55%0.05351%0.508CS..  trans-89.478.2-176.2-58.9167.6-63.6-162.19.5110.2N7 L24 A26 W27 D28 E89N7-R13 VanDerWaalsContact O-CG 3.3Å; N7-R13 WeakPolarHBondContact O-CG 3.44Å; R13-L24 HydrophobicContact CB-CD1 3.69Å; R13-L24 HydrophobicContact CG-CD1 3.7Å; R13-A26 PolarHBondContact NE-O 2.91Å; R13-W27 HydrophobicContact CB-CE3 4.31Å; R13-W27 CarbonylContact O-C 3.51Å; R13-W27 WeakPolarHBondContact O-CA 3.42Å; R13-D28 VanDerWaalsContact CB-OD2 3.23Å; R13-D28 WeakPolarHBondContact CB-OD2 3.37Å; R13-D28 IonicContact CZ-OD1 3.24Å; R13-D28 IonicContact CZ-OD2 3.9Å; R13-D28 PolarHBondContact N-OD2 3.23Å; R13-D28 IonicContact NE-OD1 3.1Å; R13-D28 IonicContact NE-OD2 2.79Å; R13-D28 PolarHBondContact NE-OD2 3.17Å; R13-D28 IonicContact NH2-OD1 2.78Å; R13-D28 PolarHBondContact NH2-OD1 3.21Å; R13-D28 IonicContact NH2-OD2 3.95Å; R13-D28 PolarHBondContact O-N 2.92Å; R13-E89 IonicContact CZ-OE1 2.75Å; R13-E89 IonicContact NH1-OE1 3.83Å; R13-E89 PolarHBondContact NH1-OE1 3.01Å; R13-E89 VanDerWaalsContact NH1-OE1 3.1Å; R13-E89 IonicContact NH2-OE1 3.68Å
14Y84.2Confident78.2Confident123 Ų12394.4 Ų94.448%0.48248%0.482SS..BIsolated β-bridgetrans-85.3125.7-179.2-60.1-77000111.8G11 C12 T16 W27 D29G11-Y14 PolarHBondContact O-OH 3.22Å; C12-Y14 WeakPolarHBondContact O-CD2 3.25Å; C12-Y14 PolarHBondContact O-N 3.41Å; Y14-T16 PolarHBondContact O-N 2.97Å; Y14-T16 VanDerWaalsContact O-N 3.11Å; Y14-W27 VanDerWaalsContact O-CZ3 3.32Å; Y14-W27 WeakPolarHBondContact O-CZ3 3.46Å; Y14-D29 HydrophobicContact CD1-CB 4.08Å; Y14-D29 HydrophobicContact CE1-CB 3.64Å; Y14-D29 WeakPolarHBondContact CE1-OD2 3.32Å; Y14-D29 PolarHBondContact OH-OD2 3.39Å
15L85.8Confident79.1Confident47 Ų4792.6 Ų92.625%0.24649%0.489CS..  trans-76100.1174.2-176.863.1000109E17 D20 V21 W27 F30L15-E17 VanDerWaalsContact CD1-O 3.23Å; L15-E17 WeakPolarHBondContact CD1-O 3.38Å; L15-D20 HydrophobicContact CD1-CB 4.07Å; L15-V21 HydrophobicContact CD1-CB 4.39Å; L15-V21 HydrophobicContact CD2-CB 4.34Å; L15-V21 HydrophobicContact CD2-CG2 4.25Å; L15-W27 VanDerWaalsContact CA-CE3 3.46Å; L15-W27 HydrophobicContact CB-CB 4.06Å; L15-W27 HydrophobicContact CB-CD2 3.73Å; L15-W27 HydrophobicContact CB-CE3 3.78Å; L15-W27 HydrophobicContact CB-CG 3.83Å; L15-W27 HydrophobicContact CD1-CD2 3.87Å; L15-W27 HydrophobicContact CD1-CE3 4.23Å; L15-W27 HydrophobicContact CD1-CG 4.35Å; L15-W27 HydrophobicContact CD1-CH2 4.34Å; L15-W27 HydrophobicContact CD1-CZ2 4.05Å; L15-W27 HydrophobicContact CD1-CZ3 4.42Å; L15-W27 HydrophobicContact CG-CD2 4.34Å; L15-W27 HydrophobicContact CG-CG 4.47Å; L15-W27 VanDerWaalsContact N-CE3 3.29Å; L15-F30 HydrophobicContact CD2-CD2 4.37Å; L15-F30 HydrophobicContact CD2-CE2 4.38Å
16T84.3Confident79.9Confident111 Ų11189.9 Ų89.968%0.68148%0.48SS*.  trans-89.3-41.9-179.251.80000112.8Y14Y14-T16 PolarHBondContact O-N 2.97Å; Y14-T16 VanDerWaalsContact O-N 3.11Å
17E85Confident81.1Confident119 Ų11984.4 Ų84.456%0.55646%0.458SS*.SBendtrans-115.4131.5178.6-62.7-63.3153.400109.4L15 S19 D20L15-E17 VanDerWaalsContact CD1-O 3.23Å; L15-E17 WeakPolarHBondContact CD1-O 3.38Å; E17-S19 PolarHBondContact O-N 3.09Å; E17-D20 WeakPolarHBondContact O-CB 3.24Å; E17-D20 PolarHBondContact O-N 3.37Å
18A84.8Confident82.2Confident88 Ų8879.9 Ų79.973%0.72743%0.434SS*.G310 helixtrans-60.8-21.8-178.100000113.3D20A18-D20 PolarHBondContact O-N 3.29Å
19S90.4Very high82.5Confident90 Ų9082 Ų8263%0.62945%0.445SS*.G310 helixtrans-63.2-26.3173.850.10000113.4E17 V21E17-S19 PolarHBondContact O-N 3.09Å; S19-V21 VanDerWaalsContact C-N 3.27Å; S19-V21 PolarHBondContact O-N 2.98Å
20D87.4Confident82.9Confident52 Ų5283.5 Ų83.528%0.27845%0.449SS..G310 helixtrans-87.8-1.3-168.6-57-8.7000111.3L15 E17 A18 Y22 E23 W27L15-D20 HydrophobicContact CD1-CB 4.07Å; E17-D20 WeakPolarHBondContact O-CB 3.24Å; E17-D20 PolarHBondContact O-N 3.37Å; A18-D20 PolarHBondContact O-N 3.29Å; D20-Y22 PolarHBondContact O-N 3.31Å; D20-E23 HydrophobicContact CB-CG 4.11Å; D20-E23 WeakPolarHBondContact O-CB 3.29Å; D20-E23 WeakPolarHBondContact O-CG 3.5Å; D20-E23 PolarHBondContact O-N 2.82Å; D20-W27 HydrophobicContact CB-CH2 4.19Å; D20-W27 HydrophobicContact CB-CZ2 4.24Å; D20-W27 WeakPolarHBondContact O-CZ2 3.17Å
21V86.5Confident83.4Confident60 Ų6085 Ų8536%0.36446%0.458SS..G310 helixtrans-51.1-26.1-171.570.10000114.6L15 S19 W27L15-V21 HydrophobicContact CD1-CB 4.39Å; L15-V21 HydrophobicContact CD2-CB 4.34Å; L15-V21 HydrophobicContact CD2-CG2 4.25Å; S19-V21 VanDerWaalsContact C-N 3.27Å; S19-V21 PolarHBondContact O-N 2.98Å; V21-W27 PolarHBondContact O-NE1 2.94Å
22Y85.8Confident83.8Confident210 Ų21090 Ų9082%0.82447%0.468SS*.G310 helixtrans-97.7-2.9179.7-56.3-63.4000115.1D20 L24D20-Y22 PolarHBondContact O-N 3.31Å; Y22-L24 VanDerWaalsContact C-N 3.3Å; Y22-L24 PolarHBondContact O-N 3.3Å
23E84.4Confident84.2Confident146 Ų14691 Ų9168%0.68247%0.472SS*.SBendtrans-70.8-27.7-177-64.5-62.3138.700112.5D20 W27D20-E23 HydrophobicContact CB-CG 4.11Å; D20-E23 WeakPolarHBondContact O-CB 3.29Å; D20-E23 WeakPolarHBondContact O-CG 3.5Å; D20-E23 PolarHBondContact O-N 2.82Å; E23-W27 HydrophobicContact CB-CH2 4.47Å; E23-W27 HydrophobicContact CB-CZ2 4.07Å
24L78.6Confident84.7Confident49 Ų4997.4 Ų97.426%0.25750%0.503SS..SBendtrans-125.9153.7179.3-60.2175.9000111R13 Y22 A26 W27R13-L24 HydrophobicContact CB-CD1 3.69Å; R13-L24 HydrophobicContact CG-CD1 3.7Å; Y22-L24 VanDerWaalsContact C-N 3.3Å; Y22-L24 PolarHBondContact O-N 3.3Å; L24-A26 PolarHBondContact O-N 3.17Å; L24-W27 HydrophobicContact CB-CH2 4.41Å; L24-W27 HydrophobicContact CB-CZ2 3.9Å; L24-W27 HydrophobicContact CD1-CD2 4.43Å; L24-W27 HydrophobicContact CD1-CE3 4.03Å; L24-W27 HydrophobicContact CD1-CH2 3.58Å; L24-W27 HydrophobicContact CD1-CZ2 3.94Å; L24-W27 HydrophobicContact CD1-CZ3 3.63Å; L24-W27 HydrophobicContact CG-CH2 3.9Å; L24-W27 HydrophobicContact CG-CZ2 3.85Å; L24-W27 HydrophobicContact CG-CZ3 4.43Å
25S73.8Confident85.3Confident115 Ų11598.6 Ų98.680%0.80451%0.513SS*.SBendtrans-69.2-22.6177.755.30000113.5
26A80.6Confident85.7Confident41 Ų4199.6 Ų99.634%0.33952%0.516SS..  trans-154145.2176.900000109.4R13 L24R13-A26 PolarHBondContact NE-O 2.91Å; L24-A26 PolarHBondContact O-N 3.17Å
27W85.7Confident86.3Confident59 Ų5998.2 Ų98.222%0.22350%0.502CS..  trans-110.6139.9171.2-63.394.7000108.7R13 Y14 L15 D20 V21 E23 L24R13-W27 HydrophobicContact CB-CE3 4.31Å; R13-W27 CarbonylContact O-C 3.51Å; R13-W27 WeakPolarHBondContact O-CA 3.42Å; Y14-W27 VanDerWaalsContact O-CZ3 3.32Å; Y14-W27 WeakPolarHBondContact O-CZ3 3.46Å; L15-W27 VanDerWaalsContact CA-CE3 3.46Å; L15-W27 HydrophobicContact CB-CB 4.06Å; L15-W27 HydrophobicContact CB-CD2 3.73Å; L15-W27 HydrophobicContact CB-CE3 3.78Å; L15-W27 HydrophobicContact CB-CG 3.83Å; L15-W27 HydrophobicContact CD1-CD2 3.87Å; L15-W27 HydrophobicContact CD1-CE3 4.23Å; L15-W27 HydrophobicContact CD1-CG 4.35Å; L15-W27 HydrophobicContact CD1-CH2 4.34Å; L15-W27 HydrophobicContact CD1-CZ2 4.05Å; L15-W27 HydrophobicContact CD1-CZ3 4.42Å; L15-W27 HydrophobicContact CG-CD2 4.34Å; L15-W27 HydrophobicContact CG-CG 4.47Å; L15-W27 VanDerWaalsContact N-CE3 3.29Å; D20-W27 HydrophobicContact CB-CH2 4.19Å; D20-W27 HydrophobicContact CB-CZ2 4.24Å; D20-W27 WeakPolarHBondContact O-CZ2 3.17Å; V21-W27 PolarHBondContact O-NE1 2.94Å; E23-W27 HydrophobicContact CB-CH2 4.47Å; E23-W27 HydrophobicContact CB-CZ2 4.07Å; L24-W27 HydrophobicContact CB-CH2 4.41Å; L24-W27 HydrophobicContact CB-CZ2 3.9Å; L24-W27 HydrophobicContact CD1-CD2 4.43Å; L24-W27 HydrophobicContact CD1-CE3 4.03Å; L24-W27 HydrophobicContact CD1-CH2 3.58Å; L24-W27 HydrophobicContact CD1-CZ2 3.94Å; L24-W27 HydrophobicContact CD1-CZ3 3.63Å; L24-W27 HydrophobicContact CG-CH2 3.9Å; L24-W27 HydrophobicContact CG-CZ2 3.85Å; L24-W27 HydrophobicContact CG-CZ3 4.43Å
28D84.6Confident86.9Confident18 Ų1896.4 Ų96.410%0.09650%0.497CS..BIsolated β-bridgetrans-93.1151.3-178.6-54.5-48.5000110.3G11 C12 R13 F30G11-D28 VanDerWaalsContact CA-OD2 3.26Å; G11-D28 WeakPolarHBondContact CA-OD2 3.32Å; G11-D28 VanDerWaalsContact N-CG 3.33Å; G11-D28 PolarHBondContact N-OD2 3.06Å; C12-D28 PolarHBondContact N-OD2 2.62Å; R13-D28 VanDerWaalsContact CB-OD2 3.23Å; R13-D28 WeakPolarHBondContact CB-OD2 3.37Å; R13-D28 IonicContact CZ-OD1 3.24Å; R13-D28 IonicContact CZ-OD2 3.9Å; R13-D28 PolarHBondContact N-OD2 3.23Å; R13-D28 IonicContact NE-OD1 3.1Å; R13-D28 IonicContact NE-OD2 2.79Å; R13-D28 PolarHBondContact NE-OD2 3.17Å; R13-D28 IonicContact NH2-OD1 2.78Å; R13-D28 PolarHBondContact NH2-OD1 3.21Å; R13-D28 IonicContact NH2-OD2 3.95Å; R13-D28 PolarHBondContact O-N 2.92Å; D28-F30 PolarHBondContact O-N 2.97Å
29D78.1Confident87.4Confident99 Ų9996.1 Ų96.153%0.52948%0.482SS..SBendtrans53.728.9171.2-58.6-34.5000116.5Y14 Q31Y14-D29 HydrophobicContact CD1-CB 4.08Å; Y14-D29 HydrophobicContact CE1-CB 3.64Å; Y14-D29 WeakPolarHBondContact CE1-OD2 3.32Å; Y14-D29 PolarHBondContact OH-OD2 3.39Å; D29-Q31 PolarHBondContact O-N 3.47Å; D29-Q31 VanDerWaalsContact O-N 3.08Å; D29-Q31 PolarHBondContact O-NE2 2.76Å
30F81.1Confident87.7Confident106 Ų10695.9 Ų95.947%0.46547%0.471SS..PPolyproline II helixtrans-54.8117.6175.3-177.7-96.3000110.5L15 D28 W32L15-F30 HydrophobicContact CD2-CD2 4.37Å; L15-F30 HydrophobicContact CD2-CE2 4.38Å; D28-F30 PolarHBondContact O-N 2.97Å; F30-W32 AromaticContact CD1-CD1 3.64Å; F30-W32 AromaticContact CD1-NE1 3.82Å
31Q82.5Confident88.1Confident157 Ų15799 Ų9973%0.73448%0.482SS*.PPolyproline II helixtrans-83.5122.2179.6-62.6-59-6100109.8D29D29-Q31 PolarHBondContact O-N 3.47Å; D29-Q31 VanDerWaalsContact O-N 3.08Å; D29-Q31 PolarHBondContact O-NE2 2.76Å
32W87.2Confident88.5Confident134 Ų134102.2 Ų102.251%0.50849%0.493SS..PPolyproline II helixtrans-77.9147.2179.8-71.642.8000109.9F30 Q36 E37 E40F30-W32 AromaticContact CD1-CD1 3.64Å; F30-W32 AromaticContact CD1-NE1 3.82Å; W32-Q36 HydrophobicContact CB-CB 4.23Å; W32-Q36 HydrophobicContact CD2-CB 4.25Å; W32-Q36 HydrophobicContact CE3-CB 3.64Å; W32-Q36 HydrophobicContact CZ3-CB 4.34Å; W32-E37 HydrophobicContact CB-CG 4.04Å; W32-E40 HydrophobicContact CZ3-CB 3.96Å; W32-E40 HydrophobicContact CZ3-CG 4.17Å
33T91.9Very high89Confident72 Ų7297.9 Ų97.944%0.44248%0.482SS..PPolyproline II helixtrans-75.6156.6168.269.80000110.1E35 Q36 E37T33-E35 PolarHBondContact O-N 3.36Å; T33-E35 VanDerWaalsContact O-N 3.16Å; T33-Q36 WeakPolarHBondContact O-CB 2.92Å; T33-Q36 PolarHBondContact O-N 3.11Å; T33-Q36 WeakPolarHBondContact OG1-CG 3.45Å; T33-Q36 PolarHBondContact OG1-N 3.06Å; T33-Q36 PolarHBondContact OG1-OE1 2.89Å; T33-E37 PolarHBondContact O-N 3.15Å
34E95.7Very high89.5Confident150 Ų15095 Ų9570%0.70147%0.471SS*.Hα-helixtrans-55.2-33.8173.8-172.8-179.1179.600112.1N38E34-N38 WeakPolarHBondContact O-CB 3.48Å; E34-N38 PolarHBondContact O-N 2.72Å; E34-N38 PolarHBondContact O-ND2 2.95Å; E34-N38 VanDerWaalsContact O-ND2 3.1Å
35E96.8Very high90.2Very high147 Ų14798.6 Ų98.669%0.68749%0.489SS*.Hα-helixtrans-63-47.2173.7-176.3-179.1-175.500112T33 N38 L39T33-E35 PolarHBondContact O-N 3.36Å; T33-E35 VanDerWaalsContact O-N 3.16Å; E35-N38 PolarHBondContact O-N 2.87Å; E35-L39 HydrophobicContact CG-CD1 4.37Å; E35-L39 WeakPolarHBondContact O-CG 3.3Å; E35-L39 PolarHBondContact O-N 2.82Å
36Q94.9Very high91.2Very high68 Ų6898.5 Ų98.532%0.31848%0.479SS..Hα-helixtrans-63.7-41.7177.8-70.1171.8-46.700111.6W32 T33 N38 L39 E40W32-Q36 HydrophobicContact CB-CB 4.23Å; W32-Q36 HydrophobicContact CD2-CB 4.25Å; W32-Q36 HydrophobicContact CE3-CB 3.64Å; W32-Q36 HydrophobicContact CZ3-CB 4.34Å; T33-Q36 WeakPolarHBondContact O-CB 2.92Å; T33-Q36 PolarHBondContact O-N 3.11Å; T33-Q36 WeakPolarHBondContact OG1-CG 3.45Å; T33-Q36 PolarHBondContact OG1-N 3.06Å; T33-Q36 PolarHBondContact OG1-OE1 2.89Å; Q36-N38 VanDerWaalsContact C-N 3.32Å; Q36-N38 PolarHBondContact O-N 3.21Å; Q36-L39 PolarHBondContact O-N 2.83Å; Q36-E40 PolarHBondContact O-N 2.86Å
37E95.8Very high91.8Very high83 Ų83103 Ų10339%0.38850%0.498SS..Hα-helixtrans-62.8-37.2175.5-68.2-174.3174.300112.4W32 T33 E40 K41W32-E37 HydrophobicContact CB-CG 4.04Å; T33-E37 PolarHBondContact O-N 3.15Å; E37-E40 WeakPolarHBondContact O-CB 3.32Å; E37-K41 WeakPolarHBondContact O-CG 3.47Å; E37-K41 PolarHBondContact O-N 2.53Å
38N97.4Very high92.1Very high81 Ų81103 Ų10343%0.43351%0.507SS..Hα-helixtrans-70.4-40.4177.4-73.4-29.5000111.6E34 E35 Q36 E40 K41 E42E34-N38 WeakPolarHBondContact O-CB 3.48Å; E34-N38 PolarHBondContact O-N 2.72Å; E34-N38 PolarHBondContact O-ND2 2.95Å; E34-N38 VanDerWaalsContact O-ND2 3.1Å; E35-N38 PolarHBondContact O-N 2.87Å; Q36-N38 VanDerWaalsContact C-N 3.32Å; Q36-N38 PolarHBondContact O-N 3.21Å; N38-E40 VanDerWaalsContact C-N 3.34Å; N38-K41 PolarHBondContact O-N 2.96Å; N38-E42 PolarHBondContact O-N 2.98Å; N38-E42 VanDerWaalsContact O-N 3.12Å
39L97Very high92.4Very high81 Ų81107.3 Ų107.342%0.42453%0.533SS..Hα-helixtrans-62.5-40.8173.2-72170.6000111.8E35 Q36 K41 E42 M43E35-L39 HydrophobicContact CG-CD1 4.37Å; E35-L39 WeakPolarHBondContact O-CG 3.3Å; E35-L39 PolarHBondContact O-N 2.82Å; Q36-L39 PolarHBondContact O-N 2.83Å; L39-K41 PolarHBondContact O-N 3.49Å; L39-E42 PolarHBondContact O-N 3.44Å; L39-M43 VanDerWaalsContact O-CG 3.25Å; L39-M43 WeakPolarHBondContact O-CG 3.19Å; L39-M43 PolarHBondContact O-N 2.82Å
40E95.2Very high92.8Very high85 Ų85106.6 Ų106.640%0.39754%0.541SS..Hα-helixtrans-56.1-50.5174.7-169.2-157.7165.100111.4W32 Q36 E37 N38 E42 M43 I44W32-E40 HydrophobicContact CZ3-CB 3.96Å; W32-E40 HydrophobicContact CZ3-CG 4.17Å; Q36-E40 PolarHBondContact O-N 2.86Å; E37-E40 WeakPolarHBondContact O-CB 3.32Å; N38-E40 VanDerWaalsContact C-N 3.34Å; E40-E42 VanDerWaalsContact C-N 3.3Å; E40-E42 PolarHBondContact O-N 3.27Å; E40-M43 PolarHBondContact O-N 2.83Å; E40-I44 HydrophobicContact CG-CD1 3.8Å; E40-I44 HydrophobicContact CG-CG1 4.43Å; E40-I44 WeakPolarHBondContact O-CG1 3.24Å; E40-I44 PolarHBondContact O-N 3.5Å; E40-I44 WeakPolarHBondContact OE1-CD1 3.36Å
41K96Very high93.2Very high117 Ų117109.8 Ų109.851%0.50956%0.555SS.*Hα-helixtrans-59.8-41.6-180-70.1165-167.3157.60111.7E37 N38 L39 L45E37-K41 WeakPolarHBondContact O-CG 3.47Å; E37-K41 PolarHBondContact O-N 2.53Å; N38-K41 PolarHBondContact O-N 2.96Å; L39-K41 PolarHBondContact O-N 3.49Å; K41-L45 WeakPolarHBondContact O-CB 3.36Å; K41-L45 PolarHBondContact O-N 3.28Å
42E96.1Very high93.6Very high128 Ų128106.2 Ų106.260%0.59854%0.54SS*.Hα-helixtrans-63.3-45.6176.2-171.8177.1-179.300111.4N38 L39 E40 L45 L46N38-E42 PolarHBondContact O-N 2.98Å; N38-E42 VanDerWaalsContact O-N 3.12Å; L39-E42 PolarHBondContact O-N 3.44Å; E40-E42 VanDerWaalsContact C-N 3.3Å; E40-E42 PolarHBondContact O-N 3.27Å; E42-L45 PolarHBondContact O-N 2.75Å; E42-L46 WeakPolarHBondContact O-CB 3.42Å; E42-L46 PolarHBondContact O-N 3.2Å
43M96.2Very high93.8Very high119 Ų119103.2 Ų103.259%0.58654%0.538SS*.Hα-helixtrans-65.5-41.8178.9-68.6-65.1172.200112.5L39 E40 L46 N47L39-M43 VanDerWaalsContact O-CG 3.25Å; L39-M43 WeakPolarHBondContact O-CG 3.19Å; L39-M43 PolarHBondContact O-N 2.82Å; E40-M43 PolarHBondContact O-N 2.83Å; M43-L46 PolarHBondContact O-N 3.35Å; M43-N47 VanDerWaalsContact O-CB 3.32Å; M43-N47 WeakPolarHBondContact O-CB 3.4Å; M43-N47 PolarHBondContact O-N 3.49Å
44I94.6Very high93.8Very high87 Ų87105.4 Ų105.445%0.44655%0.547SS..Hα-helixtrans-62.7-45.7175.7-70.6170.4000110.4E40 N47 S48E40-I44 HydrophobicContact CG-CD1 3.8Å; E40-I44 HydrophobicContact CG-CG1 4.43Å; E40-I44 WeakPolarHBondContact O-CG1 3.24Å; E40-I44 PolarHBondContact O-N 3.5Å; E40-I44 WeakPolarHBondContact OE1-CD1 3.36Å; I44-N47 PolarHBondContact O-N 3.47Å; I44-S48 VanDerWaalsContact O-CB 3.22Å; I44-S48 WeakPolarHBondContact O-CB 3.39Å; I44-S48 PolarHBondContact O-N 3Å; I44-S48 PolarHBondContact O-OG 2.81Å
45L93.9Very high93.6Very high123 Ų123103.4 Ų103.464%0.64454%0.542SS*.Hα-helixtrans-60.3-48.3178.6179.362.4000110.4K41 E42 S48 T49K41-L45 WeakPolarHBondContact O-CB 3.36Å; K41-L45 PolarHBondContact O-N 3.28Å; E42-L45 PolarHBondContact O-N 2.75Å; L45-S48 PolarHBondContact O-N 3.08Å; L45-S48 VanDerWaalsContact O-N 3.17Å; L45-T49 WeakPolarHBondContact O-CG2 3.32Å; L45-T49 PolarHBondContact O-N 3.04Å
46L94.1Very high93.5Very high114 Ų11498.3 Ų98.360%0.59752%0.522SS*.Hα-helixtrans-59-49.5178.7-176.563000111.5E42 M43 S48 T49E42-L46 WeakPolarHBondContact O-CB 3.42Å; E42-L46 PolarHBondContact O-N 3.2Å; M43-L46 PolarHBondContact O-N 3.35Å; L46-S48 PolarHBondContact O-N 2.92Å; L46-T49 PolarHBondContact O-N 2.79Å; L46-T49 PolarHBondContact O-OG1 3.49Å
47N92.5Very high93.3Very high136 Ų13699.4 Ų99.473%0.72753%0.527SS*.Hα-helixtrans-66.1-22.7179.1-168.459000113M43 I44M43-N47 VanDerWaalsContact O-CB 3.32Å; M43-N47 WeakPolarHBondContact O-CB 3.4Å; M43-N47 PolarHBondContact O-N 3.49Å; I44-N47 PolarHBondContact O-N 3.47Å
48S91.9Very high93.1Very high59 Ų59101.8 Ų101.841%0.41354%0.538SS..Hα-helixtrans-89.2-6.4179.2-59.30000114.2I44 L45 L46I44-S48 VanDerWaalsContact O-CB 3.22Å; I44-S48 WeakPolarHBondContact O-CB 3.39Å; I44-S48 PolarHBondContact O-N 3Å; I44-S48 PolarHBondContact O-OG 2.81Å; L45-S48 PolarHBondContact O-N 3.08Å; L45-S48 VanDerWaalsContact O-N 3.17Å; L46-S48 PolarHBondContact O-N 2.92Å
49T91.1Very high93Very high107 Ų107105.8 Ų105.866%0.65655%0.547SS*.SBendtrans-66.9-37.6-177.356.20000113.3L45 L46L45-T49 WeakPolarHBondContact O-CG2 3.32Å; L45-T49 PolarHBondContact O-N 3.04Å; L46-T49 PolarHBondContact O-N 2.79Å; L46-T49 PolarHBondContact O-OG1 3.49Å
50A87.8Confident92.8Very high84 Ų84105.5 Ų105.569%0.69455%0.545SS*.SBendtrans-118.4107.5179.400000109
51K88.9Confident92.6Very high174 Ų174105.2 Ų105.276%0.75754%0.544SS*.PPolyproline II helixtrans-93.4154.7172.6-64.1-173.5179.7-176.10110.2
52L89.9Confident92.4Very high81 Ų81105.5 Ų105.542%0.42455%0.55SS..PPolyproline II helixtrans-62.3132.7172.3-169.569.8000109.3Q57 I60L52-Q57 HydrophobicContact CB-CG 3.94Å; L52-Q57 HydrophobicContact CD2-CB 4.37Å; L52-Q57 HydrophobicContact CD2-CG 3.78Å; L52-Q57 HydrophobicContact CG-CG 4.04Å; L52-Q57 PolarHBondContact O-NE2 3.26Å; L52-I60 HydrophobicContact CD2-CD1 3.44Å; L52-I60 VanDerWaalsContact CD2-CD1 3.44Å; L52-I60 HydrophobicContact CD2-CG1 4.43Å
53P92.7Very high92.3Very high71 Ų71101.1 Ų101.146%0.46153%0.53SS..PPolyproline II helixtrans-57.4148.8173.4-27.137.2000112.4D55 S56 Q57P53-D55 VanDerWaalsContact C-N 3.31Å; P53-D55 WeakPolarHBondContact CB-OD1 3.18Å; P53-D55 PolarHBondContact O-N 3.17Å; P53-S56 WeakPolarHBondContact O-CA 3.49Å; P53-S56 WeakPolarHBondContact O-CB 2.98Å; P53-S56 PolarHBondContact O-N 3.1Å; P53-Q57 PolarHBondContact O-N 3.11Å
54D91.2Very high92.2Very high118 Ų11896.5 Ų96.563%0.63151%0.511SS*.Hα-helixtrans-59-40.1-174.2-63.7-19.7000112.6S56 Q57 E58D54-S56 PolarHBondContact O-N 3.16Å; D54-Q57 WeakPolarHBondContact O-CB 3.02Å; D54-Q57 PolarHBondContact O-N 3.04Å; D54-Q57 VanDerWaalsContact O-N 3.13Å; D54-Q57 PolarHBondContact OD1-NE2 2.95Å; D54-Q57 VanDerWaalsContact OD1-NE2 3.14Å; D54-E58 WeakPolarHBondContact O-CG 3.45Å; D54-E58 PolarHBondContact O-N 3.4Å
55D92.5Very high92.1Very high109 Ų10995.2 Ų95.258%0.58350%0.503SS*.Hα-helixtrans-60.7-35.117664.1-67.2000112.4P53 R59P53-D55 VanDerWaalsContact C-N 3.31Å; P53-D55 WeakPolarHBondContact CB-OD1 3.18Å; P53-D55 PolarHBondContact O-N 3.17Å; D55-R59 WeakPolarHBondContact O-CB 2.94Å; D55-R59 PolarHBondContact O-N 3.41Å; D55-R59 VanDerWaalsContact O-N 3.16Å
56S93.1Very high92.2Very high39 Ų3992.9 Ų92.927%0.27349%0.489SS..Hα-helixtrans-77.3-35.2177.3-67.10000111.5P53 D54 R59 I60P53-S56 WeakPolarHBondContact O-CA 3.49Å; P53-S56 WeakPolarHBondContact O-CB 2.98Å; P53-S56 PolarHBondContact O-N 3.1Å; D54-S56 PolarHBondContact O-N 3.16Å; S56-R59 PolarHBondContact O-N 3.07Å; S56-I60 WeakPolarHBondContact O-CB 3.39Å; S56-I60 VanDerWaalsContact O-CG1 3.28Å; S56-I60 WeakPolarHBondContact O-CG1 3.26Å; S56-I60 PolarHBondContact O-N 2.75Å
57Q91.8Very high92.3Very high92 Ų9292.2 Ų92.243%0.4348%0.479SS..Hα-helixtrans-61.7-50.9173.2-67.8175.555.700111L52 P53 D54 R59 I60 E61L52-Q57 HydrophobicContact CB-CG 3.94Å; L52-Q57 HydrophobicContact CD2-CB 4.37Å; L52-Q57 HydrophobicContact CD2-CG 3.78Å; L52-Q57 HydrophobicContact CG-CG 4.04Å; L52-Q57 PolarHBondContact O-NE2 3.26Å; P53-Q57 PolarHBondContact O-N 3.11Å; D54-Q57 WeakPolarHBondContact O-CB 3.02Å; D54-Q57 PolarHBondContact O-N 3.04Å; D54-Q57 VanDerWaalsContact O-N 3.13Å; D54-Q57 PolarHBondContact OD1-NE2 2.95Å; D54-Q57 VanDerWaalsContact OD1-NE2 3.14Å; Q57-R59 VanDerWaalsContact C-N 3.3Å; Q57-R59 PolarHBondContact O-N 3.39Å; Q57-I60 PolarHBondContact O-N 2.96Å; Q57-I60 VanDerWaalsContact O-N 3.16Å; Q57-E61 PolarHBondContact O-N 3.29Å
58E91.7Very high92.5Very high132 Ų13290.2 Ų90.262%0.61746%0.461SS*.Hα-helixtrans-58.4-43.7178-71.2179.7-174.100111.6D54 I60 E61 I62D54-E58 WeakPolarHBondContact O-CG 3.45Å; D54-E58 PolarHBondContact O-N 3.4Å; E58-I60 PolarHBondContact O-N 2.77Å; E58-E61 PolarHBondContact O-N 3.03Å; E58-I62 VanDerWaalsContact O-CG1 3.29Å; E58-I62 WeakPolarHBondContact O-CG1 3.25Å; E58-I62 PolarHBondContact O-N 2.83Å
59R93.7Very high92.7Very high166 Ų16689.1 Ų89.163%0.62645%0.451SS*.Hα-helixtrans-63-41.6177.4-174.9178.3-178.5-167.51.3112.3D55 S56 Q57 L63D55-R59 WeakPolarHBondContact O-CB 2.94Å; D55-R59 PolarHBondContact O-N 3.41Å; D55-R59 VanDerWaalsContact O-N 3.16Å; S56-R59 PolarHBondContact O-N 3.07Å; Q57-R59 VanDerWaalsContact C-N 3.3Å; Q57-R59 PolarHBondContact O-N 3.39Å; R59-L63 HydrophobicContact CG-CD1 3.94Å; R59-L63 WeakPolarHBondContact O-CB 3.23Å; R59-L63 WeakPolarHBondContact O-CG 3.44Å; R59-L63 PolarHBondContact O-N 3.41Å; R59-L63 VanDerWaalsContact O-N 3.1Å
60I93.2Very high93Very high74 Ų7488.6 Ų88.638%0.37944%0.439SS..Hα-helixtrans-65.5-43.2178.1-72.2177.8000110.6L52 S56 Q57 E58 I62 L63 A64 Y67L52-I60 HydrophobicContact CD2-CD1 3.44Å; L52-I60 VanDerWaalsContact CD2-CD1 3.44Å; L52-I60 HydrophobicContact CD2-CG1 4.43Å; S56-I60 WeakPolarHBondContact O-CB 3.39Å; S56-I60 VanDerWaalsContact O-CG1 3.28Å; S56-I60 WeakPolarHBondContact O-CG1 3.26Å; S56-I60 PolarHBondContact O-N 2.75Å; Q57-I60 PolarHBondContact O-N 2.96Å; Q57-I60 VanDerWaalsContact O-N 3.16Å; E58-I60 PolarHBondContact O-N 2.77Å; I60-I62 VanDerWaalsContact C-N 3.35Å; I60-I62 PolarHBondContact O-N 2.84Å; I60-L63 CarbonylContact O-C 3.6Å; I60-L63 PolarHBondContact O-N 3.36Å; I60-A64 WeakPolarHBondContact O-CA 3.42Å; I60-A64 WeakPolarHBondContact O-CB 3.23Å; I60-A64 PolarHBondContact O-N 3.37Å; I60-Y67 HydrophobicContact CB-CE2 4.44Å; I60-Y67 HydrophobicContact CG1-CE2 4.22Å; I60-Y67 HydrophobicContact CG2-CE2 4.35Å
61E91.8Very high93.5Very high79 Ų7986.5 Ų86.537%0.36942%0.415SS..Hα-helixtrans-59.8-44.9178.2-171.867.4-167.600111.3Q57 E58 L63 A64Q57-E61 PolarHBondContact O-N 3.29Å; E58-E61 PolarHBondContact O-N 3.03Å; E61-L63 VanDerWaalsContact C-N 3.34Å; E61-L63 PolarHBondContact O-N 2.92Å; E61-A64 WeakPolarHBondContact O-CB 3.23Å; E61-A64 PolarHBondContact O-N 3.46Å
62I92.3Very high93.9Very high124 Ų12478.8 Ų78.864%0.63638%0.381SS*.Hα-helixtrans-63.7-39.8178.1-68.5165.8000111.6E58 I60E58-I62 VanDerWaalsContact O-CG1 3.29Å; E58-I62 WeakPolarHBondContact O-CG1 3.25Å; E58-I62 PolarHBondContact O-N 2.83Å; I60-I62 VanDerWaalsContact C-N 3.35Å; I60-I62 PolarHBondContact O-N 2.84Å
63L94.4Very high94.3Very high36 Ų3678 Ų7819%0.18838%0.382CS..THydrogen-bonded Turntrans-96.610.7-175-59.8178.4000113.5R59 I60 E61 H65 E66 Y67R59-L63 HydrophobicContact CG-CD1 3.94Å; R59-L63 WeakPolarHBondContact O-CB 3.23Å; R59-L63 WeakPolarHBondContact O-CG 3.44Å; R59-L63 PolarHBondContact O-N 3.41Å; R59-L63 VanDerWaalsContact O-N 3.1Å; I60-L63 CarbonylContact O-C 3.6Å; I60-L63 PolarHBondContact O-N 3.36Å; E61-L63 VanDerWaalsContact C-N 3.34Å; E61-L63 PolarHBondContact O-N 2.92Å; L63-H65 VanDerWaalsContact C-N 3.25Å; L63-H65 PolarHBondContact O-N 2.95Å; L63-E66 WeakPolarHBondContact CD2-OE1 3.39Å; L63-E66 WeakPolarHBondContact O-CB 2.99Å; L63-E66 PolarHBondContact O-N 2.59Å; L63-Y67 HydrophobicContact CB-CD2 4.22Å; L63-Y67 HydrophobicContact CB-CE2 3.7Å; L63-Y67 WeakPolarHBondContact O-CD2 3.46Å; L63-Y67 PolarHBondContact O-N 3.02Å
64A93.8Very high94.5Very high22 Ų2281 Ų8118%0.18239%0.39CS..Hα-helixtrans-55.3-38.4-173.800000112.9I60 E61 E66 Y67 W68 F133I60-A64 WeakPolarHBondContact O-CA 3.42Å; I60-A64 WeakPolarHBondContact O-CB 3.23Å; I60-A64 PolarHBondContact O-N 3.37Å; E61-A64 WeakPolarHBondContact O-CB 3.23Å; E61-A64 PolarHBondContact O-N 3.46Å; A64-E66 PolarHBondContact O-N 3.39Å; A64-Y67 PolarHBondContact O-N 3Å; A64-W68 PolarHBondContact O-N 3.16Å; A64-W68 VanDerWaalsContact O-N 3.13Å; A64-F133 HydrophobicContact CB-CE1 3.71Å
65H92.8Very high94.7Very high60 Ų6078.6 Ų78.628%0.27838%0.375SS..Hα-helixtrans-61.9-42.1175.467.2-73.5000112.5L63 Y67 W68 D69 F133L63-H65 VanDerWaalsContact C-N 3.25Å; L63-H65 PolarHBondContact O-N 2.95Å; H65-Y67 VanDerWaalsContact C-N 3.28Å; H65-Y67 PolarHBondContact O-N 2.88Å; H65-W68 PolarHBondContact O-N 3.49Å; H65-D69 PolarHBondContact O-N 3.48Å; H65-F133 HydrophobicContact CB-CD1 3.86Å; H65-F133 HydrophobicContact CB-CD2 3.94Å; H65-F133 HydrophobicContact CB-CE1 3.62Å; H65-F133 HydrophobicContact CB-CE2 3.66Å; H65-F133 HydrophobicContact CB-CG 4.04Å; H65-F133 HydrophobicContact CB-CZ 3.53Å
66E95.1Very high94.9Very high73 Ų7378 Ų7834%0.34137%0.368SS..Hα-helixtrans-65.4-34.5178.9-62.5-170.2-169.800111.9L63 A64 D69 K70L63-E66 WeakPolarHBondContact CD2-OE1 3.39Å; L63-E66 WeakPolarHBondContact O-CB 2.99Å; L63-E66 PolarHBondContact O-N 2.59Å; A64-E66 PolarHBondContact O-N 3.39Å; E66-D69 PolarHBondContact O-N 2.76Å; E66-K70 WeakPolarHBondContact O-CB 3.37Å; E66-K70 WeakPolarHBondContact O-CD 3.41Å; E66-K70 WeakPolarHBondContact O-CG 3.5Å; E66-K70 PolarHBondContact O-N 3.36Å; E66-K70 IonicContact OE2-NZ 3.11Å; E66-K70 PolarHBondContact OE2-NZ 2.93Å; E66-K70 VanDerWaalsContact OE2-NZ 3.11Å
67Y96Very high94.9Very high101 Ų10180.6 Ų80.640%0.39638%0.379SS..Hα-helixtrans-67.9-39.4176.4-67.4-62.9000111.2I60 L63 A64 H65 K70 F71I60-Y67 HydrophobicContact CB-CE2 4.44Å; I60-Y67 HydrophobicContact CG1-CE2 4.22Å; I60-Y67 HydrophobicContact CG2-CE2 4.35Å; L63-Y67 HydrophobicContact CB-CD2 4.22Å; L63-Y67 HydrophobicContact CB-CE2 3.7Å; L63-Y67 WeakPolarHBondContact O-CD2 3.46Å; L63-Y67 PolarHBondContact O-N 3.02Å; A64-Y67 PolarHBondContact O-N 3Å; H65-Y67 VanDerWaalsContact C-N 3.28Å; H65-Y67 PolarHBondContact O-N 2.88Å; Y67-K70 PolarHBondContact O-N 2.9Å; Y67-F71 WeakPolarHBondContact O-CB 3.24Å; Y67-F71 PolarHBondContact O-N 2.9Å
68W96.3Very high95Very high93 Ų9383.1 Ų83.135%0.35239%0.385SS..Hα-helixtrans-66.3-41.5171.8-77.5116000112.4A64 H65 K70 F71 Y72 A184A64-W68 PolarHBondContact O-N 3.16Å; A64-W68 VanDerWaalsContact O-N 3.13Å; H65-W68 PolarHBondContact O-N 3.49Å; W68-K70 VanDerWaalsContact C-N 3.34Å; W68-K70 PolarHBondContact O-N 3.23Å; W68-F71 HydrophobicContact CE3-CB 4.28Å; W68-F71 AromaticContact CE3-CD1 3.89Å; W68-F71 HydrophobicContact CE3-CD1 3.89Å; W68-F71 HydrophobicContact CE3-CG 4.19Å; W68-F71 AromaticContact CZ3-CD1 3.89Å; W68-F71 HydrophobicContact CZ3-CD1 3.89Å; W68-F71 HydrophobicContact CZ3-CE1 4.15Å; W68-F71 HydrophobicContact CZ3-CG 4.23Å; W68-F71 WeakPolarHBondContact O-CB 3.33Å; W68-F71 PolarHBondContact O-N 2.8Å; W68-F71 VanDerWaalsContact O-N 3.16Å; W68-Y72 HydrophobicContact CE3-CD2 4.44Å; W68-Y72 AromaticContact CE3-CE2 3.85Å; W68-Y72 HydrophobicContact CE3-CE2 3.85Å; W68-Y72 HydrophobicContact CZ3-CE2 4.46Å; W68-Y72 VanDerWaalsContact O-CD2 3.22Å; W68-Y72 WeakPolarHBondContact O-CD2 2.96Å; W68-Y72 PolarHBondContact O-N 2.79Å; W68-A184 HydrophobicContact CZ2-CB 4.31Å
69D97.2Very high95.1Very high36 Ų3683 Ų8319%0.19338%0.382CS..Hα-helixtrans-61.7-41.9174.9-76.1-23.7000111.9H65 E66 S73 S134 E135 K136H65-D69 PolarHBondContact O-N 3.48Å; E66-D69 PolarHBondContact O-N 2.76Å; D69-S73 VanDerWaalsContact O-CB 3.27Å; D69-S73 WeakPolarHBondContact O-CB 3.31Å; D69-S73 PolarHBondContact O-N 2.78Å; D69-S73 PolarHBondContact O-OG 2.83Å; D69-S134 VanDerWaalsContact OD1-CA 3.3Å; D69-S134 WeakPolarHBondContact OD1-CA 3.39Å; D69-S134 VanDerWaalsContact OD1-CB 3.28Å; D69-S134 WeakPolarHBondContact OD1-CB 3.31Å; D69-S134 PolarHBondContact OD1-OG 3.17Å; D69-E135 PolarHBondContact OD1-N 2.92Å; D69-K136 HydrophobicContact CB-CB 4.08Å; D69-K136 VanDerWaalsContact OD1-CB 3.3Å; D69-K136 WeakPolarHBondContact OD1-CB 3.37Å; D69-K136 PolarHBondContact OD1-N 3Å
70K97.7Very high95.1Very high96 Ų9677.3 Ų77.342%0.41736%0.364SS..Hα-helixtrans-61.1-47.8172.6-74.9162.8-169149.60110.1E66 Y67 W68 Y72 S73 H74E66-K70 WeakPolarHBondContact O-CB 3.37Å; E66-K70 WeakPolarHBondContact O-CD 3.41Å; E66-K70 WeakPolarHBondContact O-CG 3.5Å; E66-K70 PolarHBondContact O-N 3.36Å; E66-K70 IonicContact OE2-NZ 3.11Å; E66-K70 PolarHBondContact OE2-NZ 2.93Å; E66-K70 VanDerWaalsContact OE2-NZ 3.11Å; Y67-K70 PolarHBondContact O-N 2.9Å; W68-K70 VanDerWaalsContact C-N 3.34Å; W68-K70 PolarHBondContact O-N 3.23Å; K70-Y72 PolarHBondContact O-N 2.91Å; K70-S73 PolarHBondContact O-N 3.46Å; K70-H74 PolarHBondContact O-N 2.9Å; K70-H74 VanDerWaalsContact O-N 3.12Å; K70-H74 PolarHBondContact O-ND1 3.38Å
71F97.6Very high95.1Very high41 Ų4181 Ų8118%0.1838%0.377CS..Hα-helixtrans-55-51.4178.8171.7-91.6000111.7Y67 W68 S73 H74 H75 F79Y67-F71 WeakPolarHBondContact O-CB 3.24Å; Y67-F71 PolarHBondContact O-N 2.9Å; W68-F71 HydrophobicContact CE3-CB 4.28Å; W68-F71 AromaticContact CE3-CD1 3.89Å; W68-F71 HydrophobicContact CE3-CD1 3.89Å; W68-F71 HydrophobicContact CE3-CG 4.19Å; W68-F71 AromaticContact CZ3-CD1 3.89Å; W68-F71 HydrophobicContact CZ3-CD1 3.89Å; W68-F71 HydrophobicContact CZ3-CE1 4.15Å; W68-F71 HydrophobicContact CZ3-CG 4.23Å; W68-F71 WeakPolarHBondContact O-CB 3.33Å; W68-F71 PolarHBondContact O-N 2.8Å; W68-F71 VanDerWaalsContact O-N 3.16Å; F71-S73 PolarHBondContact O-N 2.84Å; F71-H74 PolarHBondContact O-N 3.14Å; F71-H75 AromaticContact CD2-CE1 3.71Å; F71-H75 AromaticContact CD2-ND1 3.4Å; F71-H75 WeakPolarHBondContact CD2-ND1 3.12Å; F71-H75 AromaticContact CE2-CE1 3.75Å; F71-H75 AromaticContact CE2-ND1 3.46Å; F71-H75 WeakPolarHBondContact CE2-ND1 3.22Å; F71-H75 AromaticContact CG-ND1 3.91Å; F71-H75 HydrophobicContact CZ-CB 4.45Å; F71-H75 WeakPolarHBondContact O-CB 3.33Å; F71-H75 PolarHBondContact O-N 3.41Å; F71-H75 PolarHBondContact O-ND1 2.78Å; F71-F79 HydrophobicContact CE2-CD1 4.17Å; F71-F79 HydrophobicContact CE2-CD2 4.14Å; F71-F79 HydrophobicContact CE2-CE1 4.26Å; F71-F79 HydrophobicContact CE2-CE2 4.25Å; F71-F79 HydrophobicContact CE2-CG 4.1Å; F71-F79 HydrophobicContact CE2-CZ 4.3Å; F71-F79 HydrophobicContact CZ-CB 3.95Å; F71-F79 AromaticContact CZ-CD1 3.54Å; F71-F79 HydrophobicContact CZ-CD1 3.54Å; F71-F79 HydrophobicContact CZ-CD2 4.13Å; F71-F79 AromaticContact CZ-CE1 3.98Å; F71-F79 HydrophobicContact CZ-CE1 3.98Å; F71-F79 AromaticContact CZ-CG 3.61Å; F71-F79 HydrophobicContact CZ-CG 3.61Å; F71-F79 HydrophobicContact CZ-CZ 4.46Å
72Y97.7Very high95.3Very high12 Ų1279.6 Ų79.65%0.04737%0.372CS..Hα-helixtrans-72.8-26-179.8-73.4-67.4000113.4W68 K70 H74 E76 G109 V110 A137W68-Y72 HydrophobicContact CE3-CD2 4.44Å; W68-Y72 AromaticContact CE3-CE2 3.85Å; W68-Y72 HydrophobicContact CE3-CE2 3.85Å; W68-Y72 HydrophobicContact CZ3-CE2 4.46Å; W68-Y72 VanDerWaalsContact O-CD2 3.22Å; W68-Y72 WeakPolarHBondContact O-CD2 2.96Å; W68-Y72 PolarHBondContact O-N 2.79Å; K70-Y72 PolarHBondContact O-N 2.91Å; Y72-H74 VanDerWaalsContact C-N 3.29Å; Y72-H74 PolarHBondContact O-N 3.09Å; Y72-E76 VanDerWaalsContact O-CA 3.29Å; Y72-E76 WeakPolarHBondContact O-CA 3.49Å; Y72-E76 PolarHBondContact O-N 2.75Å; Y72-G109 WeakPolarHBondContact OH-CA 3.44Å; Y72-V110 HydrophobicContact CD1-CG1 3.61Å; Y72-V110 HydrophobicContact CE1-CG1 3.68Å; Y72-V110 HydrophobicContact CE1-CG2 4.45Å; Y72-A137 HydrophobicContact CD1-CB 4.34Å; Y72-A137 HydrophobicContact CD2-CB 3.49Å; Y72-A137 VanDerWaalsContact CD2-CB 3.49Å; Y72-A137 HydrophobicContact CE1-CB 4.42Å; Y72-A137 HydrophobicContact CE2-CB 3.58Å; Y72-A137 HydrophobicContact CG-CB 3.89Å
73S97.2Very high95.4Very high63 Ų6374.7 Ų74.744%0.44135%0.346SS..Hα-helixtrans-64.9-33.3170.8-630000112.6D69 K70 F71D69-S73 VanDerWaalsContact O-CB 3.27Å; D69-S73 WeakPolarHBondContact O-CB 3.31Å; D69-S73 PolarHBondContact O-N 2.78Å; D69-S73 PolarHBondContact O-OG 2.83Å; K70-S73 PolarHBondContact O-N 3.46Å; F71-S73 PolarHBondContact O-N 2.84Å
74H97.2Very high95.2Very high134 Ų13478.1 Ų78.162%0.6236%0.364SS*.Hα-helixtrans-85.9-41.3179.1-68.687.5000112.5K70 F71 Y72 R78K70-H74 PolarHBondContact O-N 2.9Å; K70-H74 VanDerWaalsContact O-N 3.12Å; K70-H74 PolarHBondContact O-ND1 3.38Å; F71-H74 PolarHBondContact O-N 3.14Å; Y72-H74 VanDerWaalsContact C-N 3.29Å; Y72-H74 PolarHBondContact O-N 3.09Å; H74-R78 PolarHBondContact O-NH2 2.93Å
75H96.3Very high95Very high69 Ų6981.3 Ų81.332%0.31937%0.372SS..Hα-helixtrans-96.6-21-170.7-62.697.7000114.3F71 D77 R78 F79F71-H75 AromaticContact CD2-CE1 3.71Å; F71-H75 AromaticContact CD2-ND1 3.4Å; F71-H75 WeakPolarHBondContact CD2-ND1 3.12Å; F71-H75 AromaticContact CE2-CE1 3.75Å; F71-H75 AromaticContact CE2-ND1 3.46Å; F71-H75 WeakPolarHBondContact CE2-ND1 3.22Å; F71-H75 AromaticContact CG-ND1 3.91Å; F71-H75 HydrophobicContact CZ-CB 4.45Å; F71-H75 WeakPolarHBondContact O-CB 3.33Å; F71-H75 PolarHBondContact O-N 3.41Å; F71-H75 PolarHBondContact O-ND1 2.78Å; H75-D77 PolarHBondContact O-N 2.73Å; H75-R78 WeakPolarHBondContact O-CB 3.39Å; H75-R78 PolarHBondContact O-N 3.24Å; H75-R78 PolarHBondContact O-NE 3.19Å; H75-F79 HydrophobicContact CB-CB 3.87Å; H75-F79 AromaticContact CD2-CD2 3.68Å
76E95.4Very high94.9Very high95 Ų9578.4 Ų78.444%0.44436%0.358SS..THydrogen-bonded Turntrans53.5-126.6-173.8-57.7175.2159.400110.9Y72 R78Y72-E76 VanDerWaalsContact O-CA 3.29Å; Y72-E76 WeakPolarHBondContact O-CA 3.49Å; Y72-E76 PolarHBondContact O-N 2.75Å; E76-R78 IonicContact OE2-CZ 3.93Å; E76-R78 IonicContact OE2-NE 3.54Å; E76-R78 IonicContact OE2-NH2 3.53Å
77D93.8Very high94.7Very high94 Ų9480.3 Ų80.350%0.50337%0.367SS..THydrogen-bonded Turntrans-96.27.5179.968.1-15000114H75 V110 I140H75-D77 PolarHBondContact O-N 2.73Å; D77-V110 HydrophobicContact CB-CG2 4.31Å; D77-I140 HydrophobicContact CB-CG2 4.31Å
78R93.6Very high94.2Very high146 Ų14681.3 Ų81.355%0.55137%0.374SS*.SBendtrans-91-27.2-164.1-61.4175.6-71.5178.6-5114.4H74 H75 E76 K81H74-R78 PolarHBondContact O-NH2 2.93Å; H75-R78 WeakPolarHBondContact O-CB 3.39Å; H75-R78 PolarHBondContact O-N 3.24Å; H75-R78 PolarHBondContact O-NE 3.19Å; E76-R78 IonicContact OE2-CZ 3.93Å; E76-R78 IonicContact OE2-NE 3.54Å; E76-R78 IonicContact OE2-NH2 3.53Å; R78-K81 PolarHBondContact O-NZ 3.12Å
79F94.3Very high93.8Very high129 Ų12979 Ų7957%0.56637%0.367SS*.SBendtrans-76-54.3-171.1-173.4-80.8000112.5F71 H75F71-F79 HydrophobicContact CE2-CD1 4.17Å; F71-F79 HydrophobicContact CE2-CD2 4.14Å; F71-F79 HydrophobicContact CE2-CE1 4.26Å; F71-F79 HydrophobicContact CE2-CE2 4.25Å; F71-F79 HydrophobicContact CE2-CG 4.1Å; F71-F79 HydrophobicContact CE2-CZ 4.3Å; F71-F79 HydrophobicContact CZ-CB 3.95Å; F71-F79 AromaticContact CZ-CD1 3.54Å; F71-F79 HydrophobicContact CZ-CD1 3.54Å; F71-F79 HydrophobicContact CZ-CD2 4.13Å; F71-F79 AromaticContact CZ-CE1 3.98Å; F71-F79 HydrophobicContact CZ-CE1 3.98Å; F71-F79 AromaticContact CZ-CG 3.61Å; F71-F79 HydrophobicContact CZ-CG 3.61Å; F71-F79 HydrophobicContact CZ-CZ 4.46Å; H75-F79 HydrophobicContact CB-CB 3.87Å; H75-F79 AromaticContact CD2-CD2 3.68Å
80I92.8Very high93.6Very high47 Ų4778.6 Ų78.624%0.24136%0.363CS..SBendtrans-90132.5-179.6-54.6176.9000108.1N112I80-N112 WeakPolarHBondContact CB-ND2 3.43Å; I80-N112 HydrophobicContact CG2-CB 4Å; I80-N112 WeakPolarHBondContact CG2-ND2 3.17Å; I80-N112 PolarHBondContact O-ND2 3.45Å; I80-N112 PolarHBondContact O-OD1 3.21Å
81K94.2Very high93.3Very high152 Ų15280.1 Ų80.166%0.66137%0.367SS*.PPolyproline II helixtrans-93.3153.5179.2-58.8-52.9-176.3-161.80112.1R78 R83 N112R78-K81 PolarHBondContact O-NZ 3.12Å; K81-R83 PolarHBondContact O-N 3.14Å; K81-N112 WeakPolarHBondContact O-CB 3.05Å
82D95.5Very high93Very high48 Ų4883.1 Ų83.126%0.25738%0.382SS..PPolyproline II helixtrans-50.9129.7169.8-83.49.5000111.8N84 N112 P116 R119D82-N84 PolarHBondContact O-N 3.4Å; D82-N84 PolarHBondContact O-ND2 2.73Å; D82-N112 WeakPolarHBondContact CA-O 3.23Å; D82-N112 PolarHBondContact OD1-OD1 2.88Å; D82-P116 HydrophobicContact CB-CG 4.2Å; D82-R119 IonicContact OD2-CZ 2.53Å; D82-R119 VanDerWaalsContact OD2-CZ 3.24Å; D82-R119 IonicContact OD2-NH1 3.64Å; D82-R119 PolarHBondContact OD2-NH1 3.5Å; D82-R119 IonicContact OD2-NH2 2.92Å; D82-R119 PolarHBondContact OD2-NH2 2.88Å
83R94.2Very high92.8Very high21 Ų2182.6 Ų82.68%0.07938%0.38CS..  trans-80.365.7-178.1-62.6177.7177.2103.8-5110.6K81 W85 L86 E105 N112 T113K81-R83 PolarHBondContact O-N 3.14Å; R83-W85 HydrophobicContact CB-CD2 4.41Å; R83-W85 HydrophobicContact CB-CZ2 4.06Å; R83-W85 HydrophobicContact CG-CZ2 3.93Å; R83-W85 PolarHBondContact O-N 3.11Å; R83-W85 VanDerWaalsContact O-N 3.14Å; R83-L86 VanDerWaalsContact O-CB 3.23Å; R83-L86 WeakPolarHBondContact O-CB 3.37Å; R83-L86 PolarHBondContact O-N 2.85Å; R83-E105 IonicContact NH1-OE1 3.89Å; R83-N112 PolarHBondContact N-O 3.45Å; R83-T113 WeakPolarHBondContact CD-OG1 3.42Å; R83-T113 PolarHBondContact NH1-OG1 3.47Å
84N89.7Confident92.6Very high109 Ų10981.3 Ų81.358%0.58337%0.366SS*.THydrogen-bonded Turntrans-67.1-11.1-179.1-63-55.4000113.7D82 L86 R119D82-N84 PolarHBondContact O-N 3.4Å; D82-N84 PolarHBondContact O-ND2 2.73Å; N84-L86 VanDerWaalsContact C-N 3.25Å; N84-R119 PolarHBondContact OD1-NH2 3.13Å
85W89.9Confident92.4Very high88 Ų8877 Ų7733%0.33335%0.352SS..THydrogen-bonded Turntrans-73.9-13.6170.753-104.9000113.3R83 E87 K88 E89 F90 V179 F180R83-W85 HydrophobicContact CB-CD2 4.41Å; R83-W85 HydrophobicContact CB-CZ2 4.06Å; R83-W85 HydrophobicContact CG-CZ2 3.93Å; R83-W85 PolarHBondContact O-N 3.11Å; R83-W85 VanDerWaalsContact O-N 3.14Å; W85-E87 VanDerWaalsContact C-N 3.25Å; W85-E87 PolarHBondContact O-N 3.02Å; W85-E87 VanDerWaalsContact O-N 3.16Å; W85-K88 WeakPolarHBondContact O-CB 3.24Å; W85-K88 PolarHBondContact O-N 2.87Å; W85-E89 HydrophobicContact CD2-CG 4.37Å; W85-E89 HydrophobicContact CE3-CB 3.81Å; W85-E89 HydrophobicContact CE3-CG 3.43Å; W85-E89 VanDerWaalsContact CE3-CG 3.43Å; W85-E89 HydrophobicContact CZ3-CB 4Å; W85-E89 HydrophobicContact CZ3-CG 3.97Å; W85-E89 PolarHBondContact O-N 2.83Å; W85-E89 VanDerWaalsContact O-N 3.11Å; W85-F90 HydrophobicContact CZ3-CE2 4.37Å; W85-V179 HydrophobicContact CH2-CG1 3.93Å; W85-V179 HydrophobicContact CH2-CG2 4.41Å; W85-V179 HydrophobicContact CZ2-CG1 4.2Å; W85-F180 HydrophobicContact CZ2-CE2 4.22Å; W85-F180 HydrophobicContact CZ2-CZ 4.44Å
86L91.7Very high91.9Very high0 Ų075.9 Ų75.90%035%0.351CS..Hα-helixtrans-57.9-35.1-172.2-157.877.8000113.2R83 N84 K88 E89 F90 L93 F94 T113 I117 V179R83-L86 VanDerWaalsContact O-CB 3.23Å; R83-L86 WeakPolarHBondContact O-CB 3.37Å; R83-L86 PolarHBondContact O-N 2.85Å; N84-L86 VanDerWaalsContact C-N 3.25Å; L86-K88 VanDerWaalsContact C-N 3.29Å; L86-K88 PolarHBondContact O-N 3.04Å; L86-E89 PolarHBondContact O-N 2.96Å; L86-F90 HydrophobicContact CD1-CD2 3.33Å; L86-F90 HydrophobicContact CD1-CE2 3.6Å; L86-F90 HydrophobicContact CD1-CG 4.41Å; L86-F90 HydrophobicContact CG-CD2 3.87Å; L86-F90 WeakPolarHBondContact O-CA 3.24Å; L86-F90 PolarHBondContact O-N 2.52Å; L86-L93 HydrophobicContact CD2-CD2 3.7Å; L86-L93 HydrophobicContact CG-CD2 4.34Å; L86-F94 HydrophobicContact CB-CE2 4.07Å; L86-F94 HydrophobicContact CB-CZ 4.04Å; L86-F94 HydrophobicContact CD2-CE2 3.97Å; L86-F94 HydrophobicContact CD2-CZ 3.81Å; L86-F94 HydrophobicContact CG-CE2 3.95Å; L86-F94 HydrophobicContact CG-CZ 4.14Å; L86-F94 WeakPolarHBondContact O-CE2 3.42Å; L86-T113 HydrophobicContact CD1-CG2 3.93Å; L86-T113 HydrophobicContact CD2-CG2 3.4Å; L86-T113 HydrophobicContact CG-CG2 4.33Å; L86-I117 HydrophobicContact CD2-CD1 3.81Å; L86-I117 HydrophobicContact CD2-CG1 3.64Å; L86-V179 HydrophobicContact CD1-CG2 4.46Å
87E89.4Confident91.3Very high112 Ų11279.6 Ų79.652%0.52337%0.372SS..Hα-helixtrans-68.4-30.2178.8-174.5175.4-17800112.7W85 Y91 F94W85-E87 VanDerWaalsContact C-N 3.25Å; W85-E87 PolarHBondContact O-N 3.02Å; W85-E87 VanDerWaalsContact O-N 3.16Å; E87-Y91 WeakPolarHBondContact O-CA 3.41Å; E87-F94 VanDerWaalsContact CA-CE2 3.41Å; E87-F94 HydrophobicContact CB-CD1 4.33Å; E87-F94 HydrophobicContact CB-CD2 4.01Å; E87-F94 HydrophobicContact CB-CE1 4.29Å; E87-F94 HydrophobicContact CB-CE2 4Å; E87-F94 HydrophobicContact CB-CG 4.17Å; E87-F94 HydrophobicContact CB-CZ 4.12Å; E87-F94 HydrophobicContact CG-CB 4.19Å; E87-F94 HydrophobicContact CG-CD1 4.24Å; E87-F94 HydrophobicContact CG-CD2 4.14Å; E87-F94 HydrophobicContact CG-CG 3.93Å
88K86.9Confident91Very high123 Ų12377.2 Ų77.254%0.53536%0.363SS..Hα-helixtrans-75.8-45.8175.8-60.8-171178.5-164.70111.1D8 W85 L86D8-K88 IonicContact OD1-NZ 3.61Å; D8-K88 PolarHBondContact OD1-NZ 3.04Å; D8-K88 WeakPolarHBondContact OD2-CE 3.33Å; D8-K88 IonicContact OD2-NZ 2.89Å; D8-K88 PolarHBondContact OD2-NZ 3.47Å; W85-K88 WeakPolarHBondContact O-CB 3.24Å; W85-K88 PolarHBondContact O-N 2.87Å; L86-K88 VanDerWaalsContact C-N 3.29Å; L86-K88 PolarHBondContact O-N 3.04Å
89E88Confident90.8Very high45 Ų4575.4 Ų75.421%0.2137%0.37CS..Hα-helixtrans-78-40.6-174-62.3-60.9158.700112.8F10 R13 W85 L86F10-E89 WeakPolarHBondContact CB-OE2 3.46Å; F10-E89 VanDerWaalsContact CD2-OE1 3.25Å; F10-E89 WeakPolarHBondContact CD2-OE1 3.28Å; F10-E89 WeakPolarHBondContact CD2-OE2 3.47Å; F10-E89 WeakPolarHBondContact CG-OE2 3.32Å; R13-E89 IonicContact CZ-OE1 2.75Å; R13-E89 IonicContact NH1-OE1 3.83Å; R13-E89 PolarHBondContact NH1-OE1 3.01Å; R13-E89 VanDerWaalsContact NH1-OE1 3.1Å; R13-E89 IonicContact NH2-OE1 3.68Å; W85-E89 HydrophobicContact CD2-CG 4.37Å; W85-E89 HydrophobicContact CE3-CB 3.81Å; W85-E89 HydrophobicContact CE3-CG 3.43Å; W85-E89 VanDerWaalsContact CE3-CG 3.43Å; W85-E89 HydrophobicContact CZ3-CB 4Å; W85-E89 HydrophobicContact CZ3-CG 3.97Å; W85-E89 PolarHBondContact O-N 2.83Å; W85-E89 VanDerWaalsContact O-N 3.11Å; L86-E89 PolarHBondContact O-N 2.96Å
90F91.9Very high90.8Very high26 Ų2671.5 Ų71.511%0.11436%0.359CS..THydrogen-bonded Turntrans-11856.8-177.9-57-30.7000110.9W85 L86 E92 L93 F94 V179 L208W85-F90 HydrophobicContact CZ3-CE2 4.37Å; L86-F90 HydrophobicContact CD1-CD2 3.33Å; L86-F90 HydrophobicContact CD1-CE2 3.6Å; L86-F90 HydrophobicContact CD1-CG 4.41Å; L86-F90 HydrophobicContact CG-CD2 3.87Å; L86-F90 WeakPolarHBondContact O-CA 3.24Å; L86-F90 PolarHBondContact O-N 2.52Å; F90-E92 PolarHBondContact O-N 2.67Å; F90-E92 VanDerWaalsContact O-N 3.09Å; F90-L93 HydrophobicContact CB-CB 4.21Å; F90-L93 WeakPolarHBondContact O-CB 3.41Å; F90-L93 PolarHBondContact O-N 3.09Å; F90-F94 WeakPolarHBondContact O-CD2 3.36Å; F90-V179 HydrophobicContact CE2-CG2 3.75Å; F90-V179 HydrophobicContact CZ-CG2 4.34Å; F90-L208 HydrophobicContact CB-CD1 3.95Å; F90-L208 HydrophobicContact CB-CD2 4.29Å; F90-L208 HydrophobicContact CD1-CB 4.35Å; F90-L208 HydrophobicContact CD1-CD2 3.86Å; F90-L208 HydrophobicContact CD1-CG 4.5Å; F90-L208 HydrophobicContact CD2-CB 4.02Å; F90-L208 HydrophobicContact CD2-CD1 3.99Å; F90-L208 HydrophobicContact CD2-CG 4.42Å; F90-L208 HydrophobicContact CE1-CB 4.26Å; F90-L208 HydrophobicContact CE1-CD2 4.37Å; F90-L208 HydrophobicContact CE2-CB 3.92Å; F90-L208 HydrophobicContact CG-CB 4.26Å; F90-L208 HydrophobicContact CG-CD1 3.96Å; F90-L208 HydrophobicContact CG-CD2 4.02Å; F90-L208 HydrophobicContact CG-CG 4.3Å; F90-L208 HydrophobicContact CZ-CB 4.05Å
91Y91.1Very high91Very high129 Ų12969.4 Ų69.451%0.50635%0.348SS..Hα-helixtrans-49.8-38.6-178.4175.2-102000113E87 L93 F94 S95E87-Y91 WeakPolarHBondContact O-CA 3.41Å; Y91-L93 PolarHBondContact O-N 2.9Å; Y91-F94 CarbonylContact O-C 3.6Å; Y91-F94 PolarHBondContact O-N 2.68Å; Y91-S95 WeakPolarHBondContact CE1-OG 3.36Å; Y91-S95 VanDerWaalsContact CZ-CB 3.48Å; Y91-S95 WeakPolarHBondContact O-CB 3.18Å; Y91-S95 PolarHBondContact O-N 3.47Å; Y91-S95 PolarHBondContact O-OG 3.2Å
92E91.9Very high91.2Very high104 Ų10464.5 Ų64.549%0.48633%0.328SS..Hα-helixtrans-57.2-34.2179.6-6388.7160.200112.9F90 F94 S95 F175F90-E92 PolarHBondContact O-N 2.67Å; F90-E92 VanDerWaalsContact O-N 3.09Å; E92-F94 VanDerWaalsContact C-N 3.25Å; E92-F94 PolarHBondContact O-N 2.84Å; E92-S95 WeakPolarHBondContact CA-OG 3.16Å; E92-F175 HydrophobicContact CB-CE1 4.15Å; E92-F175 VanDerWaalsContact O-CZ 3.24Å; E92-F175 WeakPolarHBondContact O-CZ 3.48Å
93L93.4Very high91.3Very high0 Ų062.2 Ų62.20%032%0.315CS..Hα-helixtrans-62.5-35.4177-170.865.6000111.5L86 F90 Y91 I103 I117 I121 F175 L208L86-L93 HydrophobicContact CD2-CD2 3.7Å; L86-L93 HydrophobicContact CG-CD2 4.34Å; F90-L93 HydrophobicContact CB-CB 4.21Å; F90-L93 WeakPolarHBondContact O-CB 3.41Å; F90-L93 PolarHBondContact O-N 3.09Å; Y91-L93 PolarHBondContact O-N 2.9Å; L93-I103 HydrophobicContact CD1-CD1 3.66Å; L93-I103 HydrophobicContact CD1-CG1 4.08Å; L93-I103 HydrophobicContact CD1-CG2 4.46Å; L93-I103 HydrophobicContact CG-CD1 4.4Å; L93-I117 HydrophobicContact CD2-CD1 3.73Å; L93-I117 HydrophobicContact CD2-CG1 3.96Å; L93-I121 VanDerWaalsContact O-CD1 3.29Å; L93-I121 WeakPolarHBondContact O-CD1 3.33Å; L93-F175 HydrophobicContact CD1-CB 3.64Å; L93-F175 HydrophobicContact CD1-CD1 3.89Å; L93-F175 HydrophobicContact CD1-CD2 3.52Å; L93-F175 HydrophobicContact CD1-CE1 4.45Å; L93-F175 HydrophobicContact CD1-CE2 4.12Å; L93-F175 HydrophobicContact CD1-CG 3.39Å; L93-L208 HydrophobicContact CB-CD1 4.11Å; L93-L208 HydrophobicContact CD1-CD1 4.05Å; L93-L208 HydrophobicContact CD2-CD1 4.28Å; L93-L208 HydrophobicContact CG-CD1 4.4Å
94F93.7Very high91.5Very high36 Ų3661.3 Ų61.316%0.15831%0.312CS..Hα-helixtrans-98.3-17.1-174.9-62.5-94.2000113L86 E87 F90 Y91 E92 I117 A120 I121L86-F94 HydrophobicContact CB-CE2 4.07Å; L86-F94 HydrophobicContact CB-CZ 4.04Å; L86-F94 HydrophobicContact CD2-CE2 3.97Å; L86-F94 HydrophobicContact CD2-CZ 3.81Å; L86-F94 HydrophobicContact CG-CE2 3.95Å; L86-F94 HydrophobicContact CG-CZ 4.14Å; L86-F94 WeakPolarHBondContact O-CE2 3.42Å; E87-F94 VanDerWaalsContact CA-CE2 3.41Å; E87-F94 HydrophobicContact CB-CD1 4.33Å; E87-F94 HydrophobicContact CB-CD2 4.01Å; E87-F94 HydrophobicContact CB-CE1 4.29Å; E87-F94 HydrophobicContact CB-CE2 4Å; E87-F94 HydrophobicContact CB-CG 4.17Å; E87-F94 HydrophobicContact CB-CZ 4.12Å; E87-F94 HydrophobicContact CG-CB 4.19Å; E87-F94 HydrophobicContact CG-CD1 4.24Å; E87-F94 HydrophobicContact CG-CD2 4.14Å; E87-F94 HydrophobicContact CG-CG 3.93Å; F90-F94 WeakPolarHBondContact O-CD2 3.36Å; Y91-F94 CarbonylContact O-C 3.6Å; Y91-F94 PolarHBondContact O-N 2.68Å; E92-F94 VanDerWaalsContact C-N 3.25Å; E92-F94 PolarHBondContact O-N 2.84Å; F94-I117 HydrophobicContact CZ-CG1 4.17Å; F94-A120 HydrophobicContact CD1-CB 3.53Å; F94-A120 HydrophobicContact CE1-CB 3.57Å; F94-I121 HydrophobicContact CD1-CG1 4.26Å
95S91.7Very high91.9Very high45 Ų4556.1 Ų56.132%0.31528%0.284SS..  trans-96.56.2-178.474.90000114.2Y91 E92 I97Y91-S95 WeakPolarHBondContact CE1-OG 3.36Å; Y91-S95 VanDerWaalsContact CZ-CB 3.48Å; Y91-S95 WeakPolarHBondContact O-CB 3.18Å; Y91-S95 PolarHBondContact O-N 3.47Å; Y91-S95 PolarHBondContact O-OG 3.2Å; E92-S95 WeakPolarHBondContact CA-OG 3.16Å; S95-I97 PolarHBondContact O-N 3.16Å
96S87.3Confident92.3Very high44 Ų4452 Ų5231%0.30827%0.269SS..  trans-61.2121.9179-176.40000111.2S98 V101S96-S98 VanDerWaalsContact C-N 3.27Å; S96-S98 PolarHBondContact OG-N 3.1Å; S96-V101 WeakPolarHBondContact OG-CG2 3.27Å
97I82.8Confident92.5Very high174 Ų17452.9 Ų52.989%0.89228%0.277SS*.  trans-85-2.1174.761.8170.7000112.6S95S95-I97 PolarHBondContact O-N 3.16Å
98S87.8Confident92.9Very high43 Ų4347.6 Ų47.630%0.30125%0.253SS..  trans-68.2135.8-178-176.30000110.5S96 S100S96-S98 VanDerWaalsContact C-N 3.27Å; S96-S98 PolarHBondContact OG-N 3.1Å; S98-S100 VanDerWaalsContact CB-O 3.25Å; S98-S100 WeakPolarHBondContact CB-O 3.33Å; S98-S100 PolarHBondContact O-N 2.98Å; S98-S100 PolarHBondContact OG-N 2.99Å; S98-S100 PolarHBondContact OG-O 3.23Å
99P89.1Confident93.4Very high109 Ų10941.8 Ų41.871%0.70823%0.228SC*.SBendtrans-64.7-21.9174.927.3-34.7000112.5S123 G125P99-S123 PolarHBondContact O-OG 3.01Å; P99-G125 WeakPolarHBondContact O-CA 3.42Å
100S94.4Very high93.9Very high47 Ų4739.8 Ų39.833%0.32922%0.219SC..EExtended strand (participates in β ladder)trans-126.2131.5175.3166.90000110S98 H102 G125S98-S100 VanDerWaalsContact CB-O 3.25Å; S98-S100 WeakPolarHBondContact CB-O 3.33Å; S98-S100 PolarHBondContact O-N 2.98Å; S98-S100 PolarHBondContact OG-N 2.99Å; S98-S100 PolarHBondContact OG-O 3.23Å; S100-H102 PolarHBondContact OG-NE2 3.31Å; S100-G125 VanDerWaalsContact CA-O 3.32Å; S100-G125 WeakPolarHBondContact CA-O 3.23Å; S100-G125 PolarHBondContact OG-O 3Å
101V96.5Very high94.2Very high3 Ų338.6 Ų38.62%0.01821%0.214CC..EExtended strand (participates in β ladder)trans-133.8118.7-179.3-176.10000107.8S96 I103 G125 L126 L127 D174 F175S96-V101 WeakPolarHBondContact OG-CG2 3.27Å; V101-I103 HydrophobicContact CG1-CD1 4.32Å; V101-I103 HydrophobicContact CG1-CG1 4.01Å; V101-G125 PolarHBondContact N-O 3.45Å; V101-L126 HydrophobicContact CB-CD1 4.21Å; V101-L126 HydrophobicContact CG1-CD1 4.39Å; V101-L126 WeakPolarHBondContact O-CA 3.39Å; V101-L127 PolarHBondContact O-N 3.18Å; V101-D174 HydrophobicContact CG1-CB 4.2Å; V101-F175 HydrophobicContact CG1-CD2 3.98Å; V101-F175 HydrophobicContact CG1-CE2 3.99Å
102H97.6Very high94.5Very high49 Ų4932.8 Ų32.823%0.22719%0.191CC..EExtended strand (participates in β ladder)trans-107.3119.1178.6-66.3175.2000110.3S100 L127 S172 L173 D174 F175S100-H102 PolarHBondContact OG-NE2 3.31Å; H102-L127 WeakPolarHBondContact CA-O 3.24Å; H102-S172 PolarHBondContact ND1-O 2.84Å; H102-L173 HydrophobicContact CB-CD2 4.29Å; H102-D174 PolarHBondContact N-OD2 2.73Å; H102-D174 WeakPolarHBondContact O-CB 3.46Å; H102-D174 PolarHBondContact O-N 3.22Å; H102-F175 PolarHBondContact O-N 3.17Å
103I98Very high94.7Very high0 Ų027.8 Ų27.80%017%0.168CC..EExtended strand (participates in β ladder)trans-116.7144.1-177.7-54.7172.6000108.3L93 V101 I117 I121 L126 L127 I128 Y129 F175 V177L93-I103 HydrophobicContact CD1-CD1 3.66Å; L93-I103 HydrophobicContact CD1-CG1 4.08Å; L93-I103 HydrophobicContact CD1-CG2 4.46Å; L93-I103 HydrophobicContact CG-CD1 4.4Å; V101-I103 HydrophobicContact CG1-CD1 4.32Å; V101-I103 HydrophobicContact CG1-CG1 4.01Å; I103-I117 HydrophobicContact CD1-CG2 3.83Å; I103-I121 HydrophobicContact CD1-CD1 4.35Å; I103-L126 HydrophobicContact CD1-CD1 3.68Å; I103-L126 HydrophobicContact CG1-CD1 4.24Å; I103-L127 PolarHBondContact N-O 3.17Å; I103-I128 HydrophobicContact CB-CG1 4.49Å; I103-I128 HydrophobicContact CB-CG2 4.28Å; I103-I128 HydrophobicContact CG2-CG2 4.41Å; I103-I128 CarbonylContact O-C 3.53Å; I103-I128 WeakPolarHBondContact O-CA 3.2Å; I103-Y129 PolarHBondContact O-N 3.21Å; I103-F175 CarbonylContact C-O 3.53Å; I103-F175 VanDerWaalsContact CA-O 3.31Å; I103-F175 WeakPolarHBondContact CA-O 3.25Å; I103-F175 HydrophobicContact CG1-CB 4.29Å; I103-F175 HydrophobicContact CG1-CD2 4.25Å; I103-F175 HydrophobicContact CG2-CB 4.32Å; I103-V177 HydrophobicContact CG2-CG2 3.87Å
104M98.2Very high94.9Very high1 Ų127.8 Ų27.81%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-119.3121.9162-178173.9-75.200109.4V106 Y129 I166 C168 L173 F175 L176 V177M104-V106 HydrophobicContact CG-CG2 4.08Å; M104-V106 HydrophobicContact SD-CG2 4.26Å; M104-Y129 CarbonylContact C-O 3.57Å; M104-Y129 VanDerWaalsContact CA-O 3.27Å; M104-Y129 WeakPolarHBondContact CA-O 3.49Å; M104-Y129 HydrophobicContact CE-CD1 4.42Å; M104-Y129 HydrophobicContact CE-CD2 4.45Å; M104-Y129 HydrophobicContact CE-CG 3.94Å; M104-I166 HydrophobicContact CE-CG2 3.58Å; M104-C168 HydrophobicContact CE-CB 3.5Å; M104-L173 HydrophobicContact CB-CD1 3.48Å; M104-L173 VanDerWaalsContact CB-CD1 3.48Å; M104-L173 HydrophobicContact CB-CD2 3.97Å; M104-L173 HydrophobicContact CB-CG 4.37Å; M104-L173 HydrophobicContact CE-CD1 4.12Å; M104-L173 HydrophobicContact CG-CD1 4.4Å; M104-L173 HydrophobicContact SD-CD1 4.09Å; M104-F175 PolarHBondContact N-O 2.94Å; M104-L176 HydrophobicContact CB-CD1 3.88Å; M104-L176 HydrophobicContact CG-CD1 3.96Å; M104-L176 HydrophobicContact SD-CD1 4.04Å; M104-V177 PolarHBondContact O-N 3.27Å
105E98.4Very high95.1Very high0 Ų027.1 Ų27.10%017%0.165CC..EExtended strand (participates in β ladder)trans-97.4126.7164-173.5-175.8-167.200109.2R83 C108 T113 I114 Y129 S131R83-E105 IonicContact NH1-OE1 3.89Å; E105-C108 HydrophobicContact CB-CB 4.3Å; E105-C108 VanDerWaalsContact CD-CA 3.45Å; E105-C108 VanDerWaalsContact CD-CB 3.48Å; E105-C108 HydrophobicContact CG-CB 3.9Å; E105-C108 VanDerWaalsContact OE2-CB 3.24Å; E105-C108 WeakPolarHBondContact OE2-CB 3.48Å; E105-T113 VanDerWaalsContact CD-CB 3.41Å; E105-T113 WeakPolarHBondContact OE1-CB 3.28Å; E105-T113 PolarHBondContact OE1-OG1 3.42Å; E105-I114 HydrophobicContact CB-CG2 4.2Å; E105-I114 WeakPolarHBondContact OE2-CG2 3.22Å; E105-Y129 PolarHBondContact N-O 3.18Å; E105-S131 PolarHBondContact O-N 3.48Å; E105-S131 PolarHBondContact O-OG 2.89Å
106V97.9Very high95.3Very high3 Ų325.4 Ų25.42%0.01815%0.153CC..EExtended strand (participates in β ladder)trans-106.8131.6173.5177.70000109M104 S131 I159 L176 V177 L178 V181 L197M104-V106 HydrophobicContact CG-CG2 4.08Å; M104-V106 HydrophobicContact SD-CG2 4.26Å; V106-S131 WeakPolarHBondContact CA-OG 3.47Å; V106-I159 HydrophobicContact CG1-CB 4.43Å; V106-I159 HydrophobicContact CG1-CD1 3.72Å; V106-I159 HydrophobicContact CG1-CG1 4.49Å; V106-I159 HydrophobicContact CG1-CG2 3.36Å; V106-L176 HydrophobicContact CG2-CD1 3.86Å; V106-V177 PolarHBondContact N-O 3.24Å; V106-L178 HydrophobicContact CB-CD2 3.45Å; V106-L178 VanDerWaalsContact CB-CD2 3.45Å; V106-L178 HydrophobicContact CG1-CD2 4.07Å; V106-L178 HydrophobicContact CG2-CD2 3.57Å; V106-V181 HydrophobicContact CB-CG1 4.36Å; V106-V181 HydrophobicContact CG1-CG1 4.05Å; V106-V181 HydrophobicContact CG1-CG2 4.12Å; V106-V181 WeakPolarHBondContact O-CG1 3.46Å; V106-L197 HydrophobicContact CG2-CD2 4.21Å
107G97.4Very high95.7Very high17 Ų1723.3 Ų23.318%0.17514%0.139CC..SBendtrans72.543.6-172.500000111.5G109 S131 D132G107-G109 PolarHBondContact O-N 3.3Å; G107-S131 PolarHBondContact N-O 2.96Å; G107-D132 VanDerWaalsContact CA-OD2 3.31Å; G107-D132 WeakPolarHBondContact CA-OD2 3.13Å
108C97.7Very high96.4Very high2 Ų215.1 Ų15.11%0.01410%0.096CC..  trans-67.6-19.5-175.567.60000113.5E105 V110 G111 V130 S131 D132 L138E105-C108 HydrophobicContact CB-CB 4.3Å; E105-C108 VanDerWaalsContact CD-CA 3.45Å; E105-C108 VanDerWaalsContact CD-CB 3.48Å; E105-C108 HydrophobicContact CG-CB 3.9Å; E105-C108 VanDerWaalsContact OE2-CB 3.24Å; E105-C108 WeakPolarHBondContact OE2-CB 3.48Å; C108-V110 PolarHBondContact O-N 3.2Å; C108-G111 PolarHBondContact O-N 3.03Å; C108-V130 HydrophobicContact CB-CB 4.38Å; C108-S131 PolarHBondContact N-O 3.31Å; C108-S131 PolarHBondContact SG-O 3.01Å; C108-D132 PolarHBondContact N-OD2 2.97Å; C108-L138 VanDerWaalsContact SG-CD2 3.53Å
109G97.2Very high96.8Very high1 Ų118.6 Ų18.61%0.0110%0.103CC..THydrogen-bonded Turntrans51.5-123.3-171.100000110.6Y72 G107 D132Y72-G109 WeakPolarHBondContact OH-CA 3.44Å; G107-G109 PolarHBondContact O-N 3.3Å; G109-D132 WeakPolarHBondContact CA-OD2 3.32Å; G109-D132 PolarHBondContact N-OD2 3.22Å
110V97.8Very high97Very high3 Ų315.6 Ų15.62%0.0189%0.088CC..THydrogen-bonded Turntrans-90.78178-61.20000114.2Y72 D77 C108 N112 F115 I140 L141Y72-V110 HydrophobicContact CD1-CG1 3.61Å; Y72-V110 HydrophobicContact CE1-CG1 3.68Å; Y72-V110 HydrophobicContact CE1-CG2 4.45Å; D77-V110 HydrophobicContact CB-CG2 4.31Å; C108-V110 PolarHBondContact O-N 3.2Å; V110-N112 VanDerWaalsContact CG2-ND2 3.35Å; V110-N112 WeakPolarHBondContact CG2-ND2 3.09Å; V110-F115 WeakPolarHBondContact O-CE2 3.47Å; V110-F115 WeakPolarHBondContact O-CZ 3.09Å; V110-I140 HydrophobicContact CB-CG2 4.21Å; V110-I140 HydrophobicContact CG1-CB 3.95Å; V110-I140 HydrophobicContact CG1-CD1 4.31Å; V110-I140 HydrophobicContact CG1-CG2 3.72Å; V110-L141 WeakPolarHBondContact O-CD1 3.39Å
111G97.8Very high97Very high0 Ų014.4 Ų14.40%08%0.077CC..THydrogen-bonded Turntrans103.716.4171.600000116.9C108 T113 I114 F115C108-G111 PolarHBondContact O-N 3.03Å; G111-T113 PolarHBondContact O-N 2.98Å; G111-T113 VanDerWaalsContact O-N 3.09Å; G111-I114 WeakPolarHBondContact O-CG1 3.23Å; G111-I114 PolarHBondContact O-N 3.03Å; G111-I114 VanDerWaalsContact O-N 3.09Å; G111-F115 WeakPolarHBondContact O-CD2 3.38Å; G111-F115 VanDerWaalsContact O-CG 3.29Å; G111-F115 WeakPolarHBondContact O-CG 3.29Å; G111-F115 PolarHBondContact O-N 3.24Å
112N97.2Very high96.8Very high7 Ų721.1 Ų21.14%0.03711%0.106CC..THydrogen-bonded Turntrans-63.3-19.4-173.2-68.7-53.1000114.7I80 K81 D82 R83 V110 P116I80-N112 WeakPolarHBondContact CB-ND2 3.43Å; I80-N112 HydrophobicContact CG2-CB 4Å; I80-N112 WeakPolarHBondContact CG2-ND2 3.17Å; I80-N112 PolarHBondContact O-ND2 3.45Å; I80-N112 PolarHBondContact O-OD1 3.21Å; K81-N112 WeakPolarHBondContact O-CB 3.05Å; D82-N112 WeakPolarHBondContact CA-O 3.23Å; D82-N112 PolarHBondContact OD1-OD1 2.88Å; R83-N112 PolarHBondContact N-O 3.45Å; V110-N112 VanDerWaalsContact CG2-ND2 3.35Å; V110-N112 WeakPolarHBondContact CG2-ND2 3.09Å; N112-P116 WeakPolarHBondContact O-CD 3.38Å
113T97.4Very high96.5Very high0 Ų020.3 Ų20.30%011%0.106CC..THydrogen-bonded Turntrans-88.1-46.5168.2-45.90000111.7R83 L86 E105 G111 F115 P116 I117 V177R83-T113 WeakPolarHBondContact CD-OG1 3.42Å; R83-T113 PolarHBondContact NH1-OG1 3.47Å; L86-T113 HydrophobicContact CD1-CG2 3.93Å; L86-T113 HydrophobicContact CD2-CG2 3.4Å; L86-T113 HydrophobicContact CG-CG2 4.33Å; E105-T113 VanDerWaalsContact CD-CB 3.41Å; E105-T113 WeakPolarHBondContact OE1-CB 3.28Å; E105-T113 PolarHBondContact OE1-OG1 3.42Å; G111-T113 PolarHBondContact O-N 2.98Å; G111-T113 VanDerWaalsContact O-N 3.09Å; T113-F115 VanDerWaalsContact C-N 3.35Å; T113-F115 PolarHBondContact O-N 2.85Å; T113-P116 VanDerWaalsContact O-CD 3.24Å; T113-P116 WeakPolarHBondContact O-CD 3.3Å; T113-I117 HydrophobicContact CG2-CD1 3.96Å; T113-I117 WeakPolarHBondContact O-CG1 3.35Å; T113-I117 PolarHBondContact O-N 2.99Å; T113-V177 HydrophobicContact CG2-CG1 4.18Å
114I97.3Very high96.2Very high0 Ų026.5 Ų26.50%015%0.146CC..Hα-helixtrans-70.7-26.6-173.854.8147.1000113.9E105 G111 I117 L118 I128 V130 L141E105-I114 HydrophobicContact CB-CG2 4.2Å; E105-I114 WeakPolarHBondContact OE2-CG2 3.22Å; G111-I114 WeakPolarHBondContact O-CG1 3.23Å; G111-I114 PolarHBondContact O-N 3.03Å; G111-I114 VanDerWaalsContact O-N 3.09Å; I114-I117 HydrophobicContact CG2-CD1 4.44Å; I114-I117 PolarHBondContact O-N 2.98Å; I114-L118 HydrophobicContact CB-CD1 4.35Å; I114-L118 HydrophobicContact CD1-CD1 4.02Å; I114-L118 WeakPolarHBondContact O-CB 3.49Å; I114-L118 WeakPolarHBondContact O-CG 3.5Å; I114-L118 PolarHBondContact O-N 3.31Å; I114-I128 HydrophobicContact CB-CD1 4.38Å; I114-I128 HydrophobicContact CG2-CD1 4.14Å; I114-I128 HydrophobicContact CG2-CG2 3.73Å; I114-V130 HydrophobicContact CD1-CG1 3.86Å; I114-V130 HydrophobicContact CG1-CG1 4.45Å; I114-V130 HydrophobicContact CG2-CG1 3.85Å; I114-L141 HydrophobicContact CD1-CD1 3.7Å; I114-L141 HydrophobicContact CD1-CD2 4.39Å; I114-L141 HydrophobicContact CG1-CD1 4.47Å
115F97.3Very high96.1Very high21 Ų2127.6 Ų27.69%0.09216%0.157CC..Hα-helixtrans-63.6-47.8176.9-59.1-43.3000112.3V110 G111 T113 I117 L118 R119 L141 S144V110-F115 WeakPolarHBondContact O-CE2 3.47Å; V110-F115 WeakPolarHBondContact O-CZ 3.09Å; G111-F115 WeakPolarHBondContact O-CD2 3.38Å; G111-F115 VanDerWaalsContact O-CG 3.29Å; G111-F115 WeakPolarHBondContact O-CG 3.29Å; G111-F115 PolarHBondContact O-N 3.24Å; T113-F115 VanDerWaalsContact C-N 3.35Å; T113-F115 PolarHBondContact O-N 2.85Å; F115-I117 VanDerWaalsContact C-N 3.31Å; F115-I117 PolarHBondContact O-N 3.27Å; F115-L118 HydrophobicContact CD1-CD1 4.44Å; F115-L118 PolarHBondContact O-N 3.21Å; F115-R119 WeakPolarHBondContact O-CB 3.47Å; F115-R119 VanDerWaalsContact O-CG 3.28Å; F115-R119 WeakPolarHBondContact O-CG 3.35Å; F115-R119 PolarHBondContact O-N 3.16Å; F115-L141 HydrophobicContact CE1-CD1 3.85Å; F115-L141 HydrophobicContact CZ-CD1 3.66Å; F115-S144 VanDerWaalsContact CE1-OG 3.23Å; F115-S144 WeakPolarHBondContact CE1-OG 3.18Å; F115-S144 WeakPolarHBondContact CZ-OG 3.44Å
116P96.2Very high96.1Very high10 Ų1027.8 Ų27.87%0.06516%0.159CC..Hα-helixtrans-50.7-46.6166.5-28.130.7000113.9D82 N112 T113 R119 A120D82-P116 HydrophobicContact CB-CG 4.2Å; N112-P116 WeakPolarHBondContact O-CD 3.38Å; T113-P116 VanDerWaalsContact O-CD 3.24Å; T113-P116 WeakPolarHBondContact O-CD 3.3Å; P116-R119 PolarHBondContact O-N 3.44Å; P116-A120 WeakPolarHBondContact O-CB 3.34Å; P116-A120 PolarHBondContact O-N 3.46Å
117I96.8Very high96Very high0 Ų029.5 Ų29.50%017%0.168CC..Hα-helixtrans-61.6-49.8-179.9-63.1170.6000111.3L86 L93 F94 I103 T113 I114 F115 R119 A120 I121 L126 I128L86-I117 HydrophobicContact CD2-CD1 3.81Å; L86-I117 HydrophobicContact CD2-CG1 3.64Å; L93-I117 HydrophobicContact CD2-CD1 3.73Å; L93-I117 HydrophobicContact CD2-CG1 3.96Å; F94-I117 HydrophobicContact CZ-CG1 4.17Å; I103-I117 HydrophobicContact CD1-CG2 3.83Å; T113-I117 HydrophobicContact CG2-CD1 3.96Å; T113-I117 WeakPolarHBondContact O-CG1 3.35Å; T113-I117 PolarHBondContact O-N 2.99Å; I114-I117 HydrophobicContact CG2-CD1 4.44Å; I114-I117 PolarHBondContact O-N 2.98Å; F115-I117 VanDerWaalsContact C-N 3.31Å; F115-I117 PolarHBondContact O-N 3.27Å; I117-R119 VanDerWaalsContact C-N 3.26Å; I117-R119 PolarHBondContact O-N 3.26Å; I117-A120 PolarHBondContact O-N 2.81Å; I117-I121 HydrophobicContact CG2-CD1 3.78Å; I117-I121 HydrophobicContact CG2-CG1 4.29Å; I117-I121 PolarHBondContact O-N 3.48Å; I117-L126 HydrophobicContact CG2-CD2 4.36Å; I117-I128 HydrophobicContact CG2-CD1 3.9Å
118L96.6Very high96.1Very high1 Ų128.7 Ų28.71%0.00516%0.159CC..Hα-helixtrans-62.9-33.8179.4-71.3165.8000111.6I114 F115 K122 L126 I128 Y148 R151I114-L118 HydrophobicContact CB-CD1 4.35Å; I114-L118 HydrophobicContact CD1-CD1 4.02Å; I114-L118 WeakPolarHBondContact O-CB 3.49Å; I114-L118 WeakPolarHBondContact O-CG 3.5Å; I114-L118 PolarHBondContact O-N 3.31Å; F115-L118 HydrophobicContact CD1-CD1 4.44Å; F115-L118 PolarHBondContact O-N 3.21Å; L118-K122 PolarHBondContact O-NZ 3.07Å; L118-L126 HydrophobicContact CD2-CD2 4.28Å; L118-I128 HydrophobicContact CD2-CD1 3.81Å; L118-I128 HydrophobicContact CG-CD1 3.99Å; L118-Y148 HydrophobicContact CB-CD2 4.3Å; L118-Y148 HydrophobicContact CD1-CD2 4.26Å; L118-Y148 HydrophobicContact CD2-CD2 4.22Å; L118-Y148 HydrophobicContact CG-CD2 4.5Å; L118-R151 HydrophobicContact CD2-CB 4.12Å; L118-R151 PolarHBondContact O-NH1 3.48Å
119R95.1Very high96.1Very high116 Ų11629.6 Ų29.644%0.43816%0.163SC..Hα-helixtrans-70.8-38.8174.5-75.1-169.7-58-99.78.6112.6D82 N84 F115 P116 I117 K122D82-R119 IonicContact OD2-CZ 2.53Å; D82-R119 VanDerWaalsContact OD2-CZ 3.24Å; D82-R119 IonicContact OD2-NH1 3.64Å; D82-R119 PolarHBondContact OD2-NH1 3.5Å; D82-R119 IonicContact OD2-NH2 2.92Å; D82-R119 PolarHBondContact OD2-NH2 2.88Å; N84-R119 PolarHBondContact OD1-NH2 3.13Å; F115-R119 WeakPolarHBondContact O-CB 3.47Å; F115-R119 VanDerWaalsContact O-CG 3.28Å; F115-R119 WeakPolarHBondContact O-CG 3.35Å; F115-R119 PolarHBondContact O-N 3.16Å; P116-R119 PolarHBondContact O-N 3.44Å; I117-R119 VanDerWaalsContact C-N 3.26Å; I117-R119 PolarHBondContact O-N 3.26Å; R119-K122 WeakPolarHBondContact O-CE 3.39Å; R119-K122 PolarHBondContact O-NZ 3.35Å
120A94.3Very high96.1Very high47 Ų4729.6 Ų29.639%0.38816%0.162SC..Hα-helixtrans-86.6-48-17600000113F94 P116 I117 K122F94-A120 HydrophobicContact CD1-CB 3.53Å; F94-A120 HydrophobicContact CE1-CB 3.57Å; P116-A120 WeakPolarHBondContact O-CB 3.34Å; P116-A120 PolarHBondContact O-N 3.46Å; I117-A120 PolarHBondContact O-N 2.81Å; A120-K122 PolarHBondContact O-N 3.37Å
121I94.3Very high96.1Very high21 Ų2129.6 Ų29.611%0.10816%0.162CC..  trans-84.8108.5-175.2-54.3-177.3000109.3L93 F94 I103 I117 L126 R151L93-I121 VanDerWaalsContact O-CD1 3.29Å; L93-I121 WeakPolarHBondContact O-CD1 3.33Å; F94-I121 HydrophobicContact CD1-CG1 4.26Å; I103-I121 HydrophobicContact CD1-CD1 4.35Å; I117-I121 HydrophobicContact CG2-CD1 3.78Å; I117-I121 HydrophobicContact CG2-CG1 4.29Å; I117-I121 PolarHBondContact O-N 3.48Å; I121-L126 HydrophobicContact CB-CD2 3.96Å; I121-L126 HydrophobicContact CD1-CD1 4.45Å; I121-L126 HydrophobicContact CG2-CB 4.34Å; I121-L126 HydrophobicContact CG2-CD1 4.21Å; I121-L126 HydrophobicContact CG2-CD2 3.97Å; I121-L126 HydrophobicContact CG2-CG 4.41Å; I121-R151 PolarHBondContact O-NH1 3.18Å; I121-R151 PolarHBondContact O-NH2 3.18Å
122K91.6Very high96.1Very high144 Ų14430.3 Ų30.363%0.62617%0.166SC*.  trans-97.2-2.6-179-59.4-51.7-174.6-166.50115L118 R119 A120L118-K122 PolarHBondContact O-NZ 3.07Å; R119-K122 WeakPolarHBondContact O-CE 3.39Å; R119-K122 PolarHBondContact O-NZ 3.35Å; A120-K122 PolarHBondContact O-N 3.37Å
123S91.7Very high96Very high33 Ų3332.5 Ų32.523%0.23118%0.176CC..  trans-57.8132.8179.1-178.10000111.1P99 G125 L126 R151P99-S123 PolarHBondContact O-OG 3.01Å; S123-G125 PolarHBondContact O-N 3.3Å; S123-G125 PolarHBondContact OG-N 3.34Å; S123-L126 WeakPolarHBondContact O-CB 3.45Å; S123-L126 PolarHBondContact O-N 3.27Å; S123-R151 PolarHBondContact O-NH2 3.25Å
124P92.7Very high96Very high130 Ų13032.5 Ų32.584%0.84418%0.176SC*.THydrogen-bonded Turntrans-66.3-20176.327.6-34.9000112.7L126P124-L126 VanDerWaalsContact C-N 3.27Å; P124-L126 PolarHBondContact O-N 3.18Å
125G95.6Very high96Very high23 Ų2338.5 Ų38.524%0.23720%0.204CC..EExtended strand (participates in β ladder)trans-86.312.6176.700000114.7P99 S100 V101 S123P99-G125 WeakPolarHBondContact O-CA 3.42Å; S100-G125 VanDerWaalsContact CA-O 3.32Å; S100-G125 WeakPolarHBondContact CA-O 3.23Å; S100-G125 PolarHBondContact OG-O 3Å; V101-G125 PolarHBondContact N-O 3.45Å; S123-G125 PolarHBondContact O-N 3.3Å; S123-G125 PolarHBondContact OG-N 3.34Å
126L97.3Very high96Very high5 Ų541 Ų413%0.02621%0.214CC..EExtended strand (participates in β ladder)trans-75123.4172.7-179.265.6000110.1V101 I103 I117 L118 I121 S123 P124 I128V101-L126 HydrophobicContact CB-CD1 4.21Å; V101-L126 HydrophobicContact CG1-CD1 4.39Å; V101-L126 WeakPolarHBondContact O-CA 3.39Å; I103-L126 HydrophobicContact CD1-CD1 3.68Å; I103-L126 HydrophobicContact CG1-CD1 4.24Å; I117-L126 HydrophobicContact CG2-CD2 4.36Å; L118-L126 HydrophobicContact CD2-CD2 4.28Å; I121-L126 HydrophobicContact CB-CD2 3.96Å; I121-L126 HydrophobicContact CD1-CD1 4.45Å; I121-L126 HydrophobicContact CG2-CB 4.34Å; I121-L126 HydrophobicContact CG2-CD1 4.21Å; I121-L126 HydrophobicContact CG2-CD2 3.97Å; I121-L126 HydrophobicContact CG2-CG 4.41Å; S123-L126 WeakPolarHBondContact O-CB 3.45Å; S123-L126 PolarHBondContact O-N 3.27Å; P124-L126 VanDerWaalsContact C-N 3.27Å; P124-L126 PolarHBondContact O-N 3.18Å; L126-I128 HydrophobicContact CD1-CG1 4.1Å; L126-I128 HydrophobicContact CD2-CD1 4.01Å; L126-I128 HydrophobicContact CD2-CG1 4.21Å; L126-I128 HydrophobicContact CG-CD1 4.34Å; L126-I128 HydrophobicContact CG-CG1 3.97Å
127L97.7Very high96.1Very high39 Ų3940.5 Ų40.520%0.20421%0.211CC..EExtended strand (participates in β ladder)trans-126.9127.2170.3-178.264.1000109.1V101 H102 I103 Y129 I153V101-L127 PolarHBondContact O-N 3.18Å; H102-L127 WeakPolarHBondContact CA-O 3.24Å; I103-L127 PolarHBondContact N-O 3.17Å; L127-Y129 HydrophobicContact CD2-CE2 3.99Å; L127-Y129 HydrophobicContact CG-CE2 4.33Å; L127-I153 HydrophobicContact CD1-CD1 3.9Å; L127-I153 HydrophobicContact CD1-CG1 4.01Å; L127-I153 HydrophobicContact CD2-CD1 4Å; L127-I153 HydrophobicContact CG-CD1 4.29Å
128I98.2Very high96.2Very high0 Ų040.9 Ų40.90%021%0.213CC..EExtended strand (participates in β ladder)trans-117.1116.4179.7-45.8-176.9000109.5I103 I114 I117 L118 L126 V130 R151 C152 I153I103-I128 HydrophobicContact CB-CG1 4.49Å; I103-I128 HydrophobicContact CB-CG2 4.28Å; I103-I128 HydrophobicContact CG2-CG2 4.41Å; I103-I128 CarbonylContact O-C 3.53Å; I103-I128 WeakPolarHBondContact O-CA 3.2Å; I114-I128 HydrophobicContact CB-CD1 4.38Å; I114-I128 HydrophobicContact CG2-CD1 4.14Å; I114-I128 HydrophobicContact CG2-CG2 3.73Å; I117-I128 HydrophobicContact CG2-CD1 3.9Å; L118-I128 HydrophobicContact CD2-CD1 3.81Å; L118-I128 HydrophobicContact CG-CD1 3.99Å; L126-I128 HydrophobicContact CD1-CG1 4.1Å; L126-I128 HydrophobicContact CD2-CD1 4.01Å; L126-I128 HydrophobicContact CD2-CG1 4.21Å; L126-I128 HydrophobicContact CG-CD1 4.34Å; L126-I128 HydrophobicContact CG-CG1 3.97Å; I128-V130 HydrophobicContact CB-CG1 4.19Å; I128-V130 HydrophobicContact CG2-CG1 3.49Å; I128-V130 VanDerWaalsContact CG2-CG1 3.49Å; I128-V130 PolarHBondContact O-N 3.43Å; I128-R151 PolarHBondContact N-O 2.91Å; I128-C152 CarbonylContact O-C 3.52Å; I128-C152 VanDerWaalsContact O-CA 3.23Å; I128-C152 WeakPolarHBondContact O-CA 3.18Å; I128-I153 PolarHBondContact O-N 3.39Å
129Y98.4Very high96.3Very high21 Ų2143 Ų438%0.08223%0.228CC..EExtended strand (participates in β ladder)trans-77.3115.5163.2-63.6-88.7000107.9I103 M104 E105 L127 I153 P167 C168 L173I103-Y129 PolarHBondContact O-N 3.21Å; M104-Y129 CarbonylContact C-O 3.57Å; M104-Y129 VanDerWaalsContact CA-O 3.27Å; M104-Y129 WeakPolarHBondContact CA-O 3.49Å; M104-Y129 HydrophobicContact CE-CD1 4.42Å; M104-Y129 HydrophobicContact CE-CD2 4.45Å; M104-Y129 HydrophobicContact CE-CG 3.94Å; E105-Y129 PolarHBondContact N-O 3.18Å; L127-Y129 HydrophobicContact CD2-CE2 3.99Å; L127-Y129 HydrophobicContact CG-CE2 4.33Å; Y129-I153 CarbonylContact C-O 3.51Å; Y129-I153 WeakPolarHBondContact CA-O 3.41Å; Y129-I153 HydrophobicContact CD1-CB 3.82Å; Y129-I153 HydrophobicContact CD1-CD1 4.09Å; Y129-I153 HydrophobicContact CD1-CG2 3.87Å; Y129-I153 HydrophobicContact CE1-CB 4.07Å; Y129-I153 HydrophobicContact CE1-CD1 3.44Å; Y129-I153 VanDerWaalsContact CE1-CD1 3.44Å; Y129-I153 HydrophobicContact CE1-CG1 4.34Å; Y129-I153 HydrophobicContact CE1-CG2 4.06Å; Y129-P167 WeakPolarHBondContact CE1-O 3.33Å; Y129-C168 HydrophobicContact CD1-CB 4.01Å; Y129-C168 HydrophobicContact CD2-CB 4.45Å; Y129-C168 HydrophobicContact CE1-CB 3.83Å; Y129-C168 HydrophobicContact CE2-CB 4.28Å; Y129-C168 HydrophobicContact CG-CB 4.31Å; Y129-L173 HydrophobicContact CD2-CD2 3.73Å; Y129-L173 HydrophobicContact CE2-CD2 4.03Å
130V97.9Very high96.4Very high0 Ų038.3 Ų38.30%021%0.211CC..EExtended strand (participates in β ladder)trans-112.5117.6-179.4-62.50000108.6C108 I114 I128 L141 C152 I153 T154 L155C108-V130 HydrophobicContact CB-CB 4.38Å; I114-V130 HydrophobicContact CD1-CG1 3.86Å; I114-V130 HydrophobicContact CG1-CG1 4.45Å; I114-V130 HydrophobicContact CG2-CG1 3.85Å; I128-V130 HydrophobicContact CB-CG1 4.19Å; I128-V130 HydrophobicContact CG2-CG1 3.49Å; I128-V130 VanDerWaalsContact CG2-CG1 3.49Å; I128-V130 PolarHBondContact O-N 3.43Å; V130-L141 HydrophobicContact CB-CD2 4.33Å; V130-L141 HydrophobicContact CG2-CD2 3.93Å; V130-C152 HydrophobicContact CG2-CB 4.33Å; V130-I153 PolarHBondContact N-O 3.18Å; V130-T154 HydrophobicContact CG2-CG2 4Å; V130-T154 WeakPolarHBondContact CG2-OG1 3.46Å; V130-T154 WeakPolarHBondContact O-CA 3.22Å; V130-L155 PolarHBondContact O-N 2.95Å
131S97.4Very high96.6Very high4 Ų436 Ų363%0.02819%0.193CC..EExtended strand (participates in β ladder)trans-127.7139.5-175.762.20000111.7E105 V106 G107 C108 L155E105-S131 PolarHBondContact O-N 3.48Å; E105-S131 PolarHBondContact O-OG 2.89Å; V106-S131 WeakPolarHBondContact CA-OG 3.47Å; G107-S131 PolarHBondContact N-O 2.96Å; C108-S131 PolarHBondContact N-O 3.31Å; C108-S131 PolarHBondContact SG-O 3.01Å; S131-L155 VanDerWaalsContact CA-O 3.29Å; S131-L155 WeakPolarHBondContact CA-O 3.29Å
132D97.6Very high96.8Very high14 Ų1440.4 Ų40.48%0.07521%0.211CC..EExtended strand (participates in β ladder)trans-145.5160.2172-158.4-90.4000109.9G107 C108 G109 S134 L138 L155 Q156 H157G107-D132 VanDerWaalsContact CA-OD2 3.31Å; G107-D132 WeakPolarHBondContact CA-OD2 3.13Å; C108-D132 PolarHBondContact N-OD2 2.97Å; G109-D132 WeakPolarHBondContact CA-OD2 3.32Å; G109-D132 PolarHBondContact N-OD2 3.22Å; D132-S134 WeakPolarHBondContact OD1-CB 3.35Å; D132-S134 PolarHBondContact OD1-N 3.02Å; D132-L138 HydrophobicContact CB-CD1 4.38Å; D132-L138 HydrophobicContact CB-CD2 3.63Å; D132-L138 HydrophobicContact CB-CG 3.93Å; D132-L155 PolarHBondContact N-O 3.37Å; D132-Q156 CarbonylContact O-C 3.45Å; D132-Q156 WeakPolarHBondContact O-CA 3.26Å; D132-H157 PolarHBondContact O-N 2.91Å
133F95.6Very high97.1Very high54 Ų5440.6 Ų40.624%0.23721%0.214CC..SBendtrans-77.7-31176.7-170.6-152.1000111.6A64 H65 Q156 D158A64-F133 HydrophobicContact CB-CE1 3.71Å; H65-F133 HydrophobicContact CB-CD1 3.86Å; H65-F133 HydrophobicContact CB-CD2 3.94Å; H65-F133 HydrophobicContact CB-CE1 3.62Å; H65-F133 HydrophobicContact CB-CE2 3.66Å; H65-F133 HydrophobicContact CB-CG 4.04Å; H65-F133 HydrophobicContact CB-CZ 3.53Å; F133-Q156 PolarHBondContact O-NE2 2.89Å; F133-Q156 VanDerWaalsContact O-NE2 3.08Å; F133-D158 HydrophobicContact CD2-CB 3.74Å; F133-D158 HydrophobicContact CE2-CB 3.53Å; F133-D158 HydrophobicContact CZ-CB 4.44Å
134S97Very high97.4Very high0 Ų040.4 Ų40.40%021%0.213CC..  trans-88.3115.3-178.2171.50000111.7D69 D132 K136 A137 L138D69-S134 VanDerWaalsContact OD1-CA 3.3Å; D69-S134 WeakPolarHBondContact OD1-CA 3.39Å; D69-S134 VanDerWaalsContact OD1-CB 3.28Å; D69-S134 WeakPolarHBondContact OD1-CB 3.31Å; D69-S134 PolarHBondContact OD1-OG 3.17Å; D132-S134 WeakPolarHBondContact OD1-CB 3.35Å; D132-S134 PolarHBondContact OD1-N 3.02Å; S134-K136 PolarHBondContact O-N 3.15Å; S134-K136 PolarHBondContact OG-N 3.1Å; S134-A137 PolarHBondContact O-N 3.16Å; S134-A137 PolarHBondContact OG-N 3.02Å; S134-L138 WeakPolarHBondContact O-CG 3.34Å; S134-L138 PolarHBondContact O-N 2.85Å
135E96.9Very high97.5Very high126 Ų12644.3 Ų44.359%0.58922%0.216SC*.Hα-helixtrans-62.5-35.4171.8-173.5176.2-167.100110.8D69 A137 L138 S139D69-E135 PolarHBondContact OD1-N 2.92Å; E135-A137 PolarHBondContact O-N 3Å; E135-L138 PolarHBondContact O-N 2.87Å; E135-S139 WeakPolarHBondContact O-CB 3.32Å; E135-S139 PolarHBondContact O-N 3.45Å
136K98.1Very high97.3Very high72 Ų7244.6 Ų44.631%0.31322%0.219SC..Hα-helixtrans-62-42.9177.1-178.556.6175.5165.20112.1D69 S134 L138 S139 I140D69-K136 HydrophobicContact CB-CB 4.08Å; D69-K136 VanDerWaalsContact OD1-CB 3.3Å; D69-K136 WeakPolarHBondContact OD1-CB 3.37Å; D69-K136 PolarHBondContact OD1-N 3Å; S134-K136 PolarHBondContact O-N 3.15Å; S134-K136 PolarHBondContact OG-N 3.1Å; K136-L138 VanDerWaalsContact C-N 3.33Å; K136-L138 PolarHBondContact O-N 3.4Å; K136-S139 WeakPolarHBondContact O-CB 3.47Å; K136-S139 PolarHBondContact O-N 3.17Å; K136-I140 HydrophobicContact CD-CD1 4.23Å; K136-I140 HydrophobicContact CG-CD1 4.15Å; K136-I140 WeakPolarHBondContact O-CG1 3.34Å; K136-I140 PolarHBondContact O-N 2.91Å; K136-I140 VanDerWaalsContact O-N 3.1Å
137A98.2Very high97.3Very high0 Ų046.1 Ų46.10%023%0.225CC..Hα-helixtrans-60.5-45.117700000111.4Y72 S134 E135 S139 I140 L141Y72-A137 HydrophobicContact CD1-CB 4.34Å; Y72-A137 HydrophobicContact CD2-CB 3.49Å; Y72-A137 VanDerWaalsContact CD2-CB 3.49Å; Y72-A137 HydrophobicContact CE1-CB 4.42Å; Y72-A137 HydrophobicContact CE2-CB 3.58Å; Y72-A137 HydrophobicContact CG-CB 3.89Å; S134-A137 PolarHBondContact O-N 3.16Å; S134-A137 PolarHBondContact OG-N 3.02Å; E135-A137 PolarHBondContact O-N 3Å; A137-S139 VanDerWaalsContact C-N 3.34Å; A137-S139 PolarHBondContact O-N 3.04Å; A137-I140 PolarHBondContact O-N 3.3Å; A137-L141 WeakPolarHBondContact O-CB 3.44Å; A137-L141 PolarHBondContact O-N 3.29Å
138L98.4Very high97.3Very high8 Ų849.4 Ų49.44%0.04224%0.235CC..Hα-helixtrans-67.1-33.9178.6-62.4179.6000112.9C108 D132 S134 E135 K136 L141 K142 T154 L155 Q156C108-L138 VanDerWaalsContact SG-CD2 3.53Å; D132-L138 HydrophobicContact CB-CD1 4.38Å; D132-L138 HydrophobicContact CB-CD2 3.63Å; D132-L138 HydrophobicContact CB-CG 3.93Å; S134-L138 WeakPolarHBondContact O-CG 3.34Å; S134-L138 PolarHBondContact O-N 2.85Å; E135-L138 PolarHBondContact O-N 2.87Å; K136-L138 VanDerWaalsContact C-N 3.33Å; K136-L138 PolarHBondContact O-N 3.4Å; L138-L141 HydrophobicContact CD2-CD2 4.16Å; L138-L141 PolarHBondContact O-N 3.49Å; L138-K142 WeakPolarHBondContact O-CG 3.47Å; L138-K142 PolarHBondContact O-N 2.9Å; L138-T154 HydrophobicContact CB-CG2 4.01Å; L138-T154 HydrophobicContact CD1-CG2 3.98Å; L138-T154 HydrophobicContact CD2-CG2 3.69Å; L138-T154 HydrophobicContact CG-CG2 4.1Å; L138-L155 VanDerWaalsContact CD1-O 3.26Å; L138-L155 WeakPolarHBondContact CD1-O 3.12Å; L138-Q156 HydrophobicContact CD1-CB 3.99Å
139S98.3Very high97.2Very high45 Ų4552.9 Ų52.932%0.31526%0.264SS..Hα-helixtrans-61.9-49.5172.8173.20000110.9E135 K136 A137 L141 K142 E143E135-S139 WeakPolarHBondContact O-CB 3.32Å; E135-S139 PolarHBondContact O-N 3.45Å; K136-S139 WeakPolarHBondContact O-CB 3.47Å; K136-S139 PolarHBondContact O-N 3.17Å; A137-S139 VanDerWaalsContact C-N 3.34Å; A137-S139 PolarHBondContact O-N 3.04Å; S139-L141 VanDerWaalsContact C-N 3.35Å; S139-L141 PolarHBondContact O-N 2.89Å; S139-K142 PolarHBondContact O-N 3.02Å; S139-E143 WeakPolarHBondContact O-CG 3.31Å; S139-E143 PolarHBondContact O-N 3.43Å
140I98.2Very high97.1Very high18 Ų1858.3 Ų58.39%0.09229%0.294CS..Hα-helixtrans-62.7-42.7177.1-65.1157.9000110.9D77 V110 K136 A137 K142 E143 S144D77-I140 HydrophobicContact CB-CG2 4.31Å; V110-I140 HydrophobicContact CB-CG2 4.21Å; V110-I140 HydrophobicContact CG1-CB 3.95Å; V110-I140 HydrophobicContact CG1-CD1 4.31Å; V110-I140 HydrophobicContact CG1-CG2 3.72Å; K136-I140 HydrophobicContact CD-CD1 4.23Å; K136-I140 HydrophobicContact CG-CD1 4.15Å; K136-I140 WeakPolarHBondContact O-CG1 3.34Å; K136-I140 PolarHBondContact O-N 2.91Å; K136-I140 VanDerWaalsContact O-N 3.1Å; A137-I140 PolarHBondContact O-N 3.3Å; I140-K142 VanDerWaalsContact C-N 3.32Å; I140-K142 PolarHBondContact O-N 3.38Å; I140-E143 PolarHBondContact O-N 3.27Å; I140-S144 PolarHBondContact O-N 2.84Å
141L98.4Very high97.1Very high0 Ų059.6 Ų59.60%030%0.299CS..Hα-helixtrans-53-50.2175.8168.660.9000111.3V110 I114 F115 V130 A137 L138 S139 E143 S144 Y147V110-L141 WeakPolarHBondContact O-CD1 3.39Å; I114-L141 HydrophobicContact CD1-CD1 3.7Å; I114-L141 HydrophobicContact CD1-CD2 4.39Å; I114-L141 HydrophobicContact CG1-CD1 4.47Å; F115-L141 HydrophobicContact CE1-CD1 3.85Å; F115-L141 HydrophobicContact CZ-CD1 3.66Å; V130-L141 HydrophobicContact CB-CD2 4.33Å; V130-L141 HydrophobicContact CG2-CD2 3.93Å; A137-L141 WeakPolarHBondContact O-CB 3.44Å; A137-L141 PolarHBondContact O-N 3.29Å; L138-L141 HydrophobicContact CD2-CD2 4.16Å; L138-L141 PolarHBondContact O-N 3.49Å; S139-L141 VanDerWaalsContact C-N 3.35Å; S139-L141 PolarHBondContact O-N 2.89Å; L141-E143 VanDerWaalsContact C-N 3.27Å; L141-E143 PolarHBondContact O-N 3.47Å; L141-S144 VanDerWaalsContact O-CB 3.31Å; L141-S144 WeakPolarHBondContact O-CB 3.48Å; L141-S144 PolarHBondContact O-N 2.99Å; L141-S144 VanDerWaalsContact O-N 3.16Å; L141-S144 PolarHBondContact O-OG 3.3Å; L141-Y147 HydrophobicContact CD1-CD2 3.87Å; L141-Y147 HydrophobicContact CD2-CD2 4.5Å; L141-Y147 HydrophobicContact CD2-CE2 4.41Å; L141-Y147 HydrophobicContact CG-CD2 3.87Å; L141-Y147 HydrophobicContact CG-CE2 4.19Å; L141-Y147 VanDerWaalsContact O-CB 3.28Å; L141-Y147 WeakPolarHBondContact O-CB 3.35Å
142K98.3Very high97.1Very high112 Ų11259.9 Ų59.949%0.48730%0.301SS..Hα-helixtrans-65.8-27.8-177.9-74.3172.7179.7174.40113.5L138 S139 I140 S144 Y147 T154L138-K142 WeakPolarHBondContact O-CG 3.47Å; L138-K142 PolarHBondContact O-N 2.9Å; S139-K142 PolarHBondContact O-N 3.02Å; I140-K142 VanDerWaalsContact C-N 3.32Å; I140-K142 PolarHBondContact O-N 3.38Å; K142-S144 VanDerWaalsContact C-N 3.34Å; K142-Y147 HydrophobicContact CB-CD1 4.44Å; K142-Y147 HydrophobicContact CB-CE1 4.38Å; K142-Y147 HydrophobicContact CG-CD1 4.47Å; K142-Y147 HydrophobicContact CG-CE1 3.98Å; K142-T154 VanDerWaalsContact CE-CB 3.42Å; K142-T154 VanDerWaalsContact CE-CG2 3.47Å
143E97.8Very high97.1Very high149 Ų14962 Ų6270%0.69631%0.311SS*.Hα-helixtrans-82.1-14.1177.4-69.2175.4-176.800113S139 I140 L141S139-E143 WeakPolarHBondContact O-CG 3.31Å; S139-E143 PolarHBondContact O-N 3.43Å; I140-E143 PolarHBondContact O-N 3.27Å; L141-E143 VanDerWaalsContact C-N 3.27Å; L141-E143 PolarHBondContact O-N 3.47Å
144S97.3Very high97.2Very high28 Ų2860.7 Ų60.720%0.19631%0.308CS..SBendtrans-67.5145.1-178.476.90000112.6F115 I140 L141 K142 G146 Y147F115-S144 VanDerWaalsContact CE1-OG 3.23Å; F115-S144 WeakPolarHBondContact CE1-OG 3.18Å; F115-S144 WeakPolarHBondContact CZ-OG 3.44Å; I140-S144 PolarHBondContact O-N 2.84Å; L141-S144 VanDerWaalsContact O-CB 3.31Å; L141-S144 WeakPolarHBondContact O-CB 3.48Å; L141-S144 PolarHBondContact O-N 2.99Å; L141-S144 VanDerWaalsContact O-N 3.16Å; L141-S144 PolarHBondContact O-OG 3.3Å; K142-S144 VanDerWaalsContact C-N 3.34Å; S144-G146 PolarHBondContact O-N 3.47Å; S144-G146 VanDerWaalsContact O-N 3.17Å; S144-Y147 PolarHBondContact O-N 3.31Å; S144-Y147 WeakPolarHBondContact OG-CB 3.47Å; S144-Y147 PolarHBondContact OG-N 3.1Å
145K94.9Very high97.2Very high213 Ų21361.7 Ų61.793%0.92631%0.313SS*.THydrogen-bonded Turntrans-65.7-18178.5-66.3-179-179.5175.80114
146G92.4Very high97.2Very high28 Ų2860.3 Ų60.329%0.28931%0.307SS..THydrogen-bonded Turntrans-91.2-4179.900000113.9S144 Y148S144-G146 PolarHBondContact O-N 3.47Å; S144-G146 VanDerWaalsContact O-N 3.17Å; G146-Y148 VanDerWaalsContact O-CD2 3.32Å; G146-Y148 WeakPolarHBondContact O-CD2 3.34Å; G146-Y148 WeakPolarHBondContact O-CE2 3.33Å
147Y97.6Very high97.1Very high37 Ų3757.6 Ų57.615%0.14530%0.295CS..  trans-85.1129-177.8-177.7-99.9000111.8L141 K142 S144 A149 C152 T154L141-Y147 HydrophobicContact CD1-CD2 3.87Å; L141-Y147 HydrophobicContact CD2-CD2 4.5Å; L141-Y147 HydrophobicContact CD2-CE2 4.41Å; L141-Y147 HydrophobicContact CG-CD2 3.87Å; L141-Y147 HydrophobicContact CG-CE2 4.19Å; L141-Y147 VanDerWaalsContact O-CB 3.28Å; L141-Y147 WeakPolarHBondContact O-CB 3.35Å; K142-Y147 HydrophobicContact CB-CD1 4.44Å; K142-Y147 HydrophobicContact CB-CE1 4.38Å; K142-Y147 HydrophobicContact CG-CD1 4.47Å; K142-Y147 HydrophobicContact CG-CE1 3.98Å; S144-Y147 PolarHBondContact O-N 3.31Å; S144-Y147 WeakPolarHBondContact OG-CB 3.47Å; S144-Y147 PolarHBondContact OG-N 3.1Å; Y147-A149 HydrophobicContact CE1-CB 3.91Å; Y147-C152 HydrophobicContact CD2-CB 4.45Å; Y147-C152 HydrophobicContact CE2-CB 3.52Å; Y147-C152 WeakPolarHBondContact OH-CB 3.47Å; Y147-T154 PolarHBondContact OH-OG1 3.12Å
148Y96.5Very high96.9Very high109 Ų10959.1 Ų59.143%0.42730%0.303SS..  trans-118.3101.3-179.9-65.4-75.6000109.4L118 G146 D150 R151 C152L118-Y148 HydrophobicContact CB-CD2 4.3Å; L118-Y148 HydrophobicContact CD1-CD2 4.26Å; L118-Y148 HydrophobicContact CD2-CD2 4.22Å; L118-Y148 HydrophobicContact CG-CD2 4.5Å; G146-Y148 VanDerWaalsContact O-CD2 3.32Å; G146-Y148 WeakPolarHBondContact O-CD2 3.34Å; G146-Y148 WeakPolarHBondContact O-CE2 3.33Å; Y148-D150 WeakPolarHBondContact CB-OD1 3.47Å; Y148-D150 PolarHBondContact O-N 3.37Å; Y148-R151 PolarHBondContact O-N 3.36Å; Y148-C152 PolarHBondContact O-N 2.84Å; Y148-C152 VanDerWaalsContact O-N 3.17Å; Y148-C152 PolarHBondContact O-SG 3.32Å; Y148-C152 VanDerWaalsContact O-SG 3.36Å
149A96.5Very high96.8Very high73 Ų7359.3 Ų59.360%0.60330%0.304SS*.THydrogen-bonded Turntrans-63.6-23.4-175.400000113.8Y147 R151Y147-A149 HydrophobicContact CE1-CB 3.91Å; A149-R151 VanDerWaalsContact C-N 3.29Å
150D96.4Very high96.6Very high134 Ų13457.7 Ų57.772%0.71729%0.293SS*.THydrogen-bonded Turntrans-76.4-15.2174.861.6-49.9000113.3Y148Y148-D150 WeakPolarHBondContact CB-OD1 3.47Å; Y148-D150 PolarHBondContact O-N 3.37Å
151R97.3Very high96.4Very high28 Ų2862 Ų6211%0.10631%0.31CS..THydrogen-bonded Turntrans-112.9-5.4-179.6-53.3-175.279.8-160.913.9113.2L118 I121 S123 I128 Y148 A149L118-R151 HydrophobicContact CD2-CB 4.12Å; L118-R151 PolarHBondContact O-NH1 3.48Å; I121-R151 PolarHBondContact O-NH1 3.18Å; I121-R151 PolarHBondContact O-NH2 3.18Å; S123-R151 PolarHBondContact O-NH2 3.25Å; I128-R151 PolarHBondContact N-O 2.91Å; Y148-R151 PolarHBondContact O-N 3.36Å; A149-R151 VanDerWaalsContact C-N 3.29Å
152C97.9Very high96.1Very high9 Ų963.9 Ų63.96%0.06132%0.322CS..EExtended strand (participates in β ladder)trans-127133.2-173.6-57.80000111.8I128 V130 Y147 Y148I128-C152 CarbonylContact O-C 3.52Å; I128-C152 VanDerWaalsContact O-CA 3.23Å; I128-C152 WeakPolarHBondContact O-CA 3.18Å; V130-C152 HydrophobicContact CG2-CB 4.33Å; Y147-C152 HydrophobicContact CD2-CB 4.45Å; Y147-C152 HydrophobicContact CE2-CB 3.52Å; Y147-C152 WeakPolarHBondContact OH-CB 3.47Å; Y148-C152 PolarHBondContact O-N 2.84Å; Y148-C152 VanDerWaalsContact O-N 3.17Å; Y148-C152 PolarHBondContact O-SG 3.32Å; Y148-C152 VanDerWaalsContact O-SG 3.36Å
153I97.7Very high95.7Very high58 Ų5865.9 Ų65.930%0.29734%0.338SS..EExtended strand (participates in β ladder)trans-106.4105.8165-66.7169.2000107L127 I128 Y129 V130 P167L127-I153 HydrophobicContact CD1-CD1 3.9Å; L127-I153 HydrophobicContact CD1-CG1 4.01Å; L127-I153 HydrophobicContact CD2-CD1 4Å; L127-I153 HydrophobicContact CG-CD1 4.29Å; I128-I153 PolarHBondContact O-N 3.39Å; Y129-I153 CarbonylContact C-O 3.51Å; Y129-I153 WeakPolarHBondContact CA-O 3.41Å; Y129-I153 HydrophobicContact CD1-CB 3.82Å; Y129-I153 HydrophobicContact CD1-CD1 4.09Å; Y129-I153 HydrophobicContact CD1-CG2 3.87Å; Y129-I153 HydrophobicContact CE1-CB 4.07Å; Y129-I153 HydrophobicContact CE1-CD1 3.44Å; Y129-I153 VanDerWaalsContact CE1-CD1 3.44Å; Y129-I153 HydrophobicContact CE1-CG1 4.34Å; Y129-I153 HydrophobicContact CE1-CG2 4.06Å; V130-I153 PolarHBondContact N-O 3.18Å; I153-P167 HydrophobicContact CG2-CG 4.38Å
154T97.9Very high95.3Very high27 Ų2762.9 Ų62.917%0.16633%0.327CS..EExtended strand (participates in β ladder)trans-91.8130.1179.7-52.50000111.9V130 L138 K142 Y147V130-T154 HydrophobicContact CG2-CG2 4Å; V130-T154 WeakPolarHBondContact CG2-OG1 3.46Å; V130-T154 WeakPolarHBondContact O-CA 3.22Å; L138-T154 HydrophobicContact CB-CG2 4.01Å; L138-T154 HydrophobicContact CD1-CG2 3.98Å; L138-T154 HydrophobicContact CD2-CG2 3.69Å; L138-T154 HydrophobicContact CG-CG2 4.1Å; K142-T154 VanDerWaalsContact CE-CB 3.42Å; K142-T154 VanDerWaalsContact CE-CG2 3.47Å; Y147-T154 PolarHBondContact OH-OG1 3.12Å
155L96.5Very high94.6Very high21 Ų2170.4 Ų70.411%0.1136%0.359CS..EExtended strand (participates in β ladder)trans-137.3143.717369141.8000112.2V130 S131 D132 L138 H157 I166 P167V130-L155 PolarHBondContact O-N 2.95Å; S131-L155 VanDerWaalsContact CA-O 3.29Å; S131-L155 WeakPolarHBondContact CA-O 3.29Å; D132-L155 PolarHBondContact N-O 3.37Å; L138-L155 VanDerWaalsContact CD1-O 3.26Å; L138-L155 WeakPolarHBondContact CD1-O 3.12Å; L155-H157 HydrophobicContact CD1-CB 3.74Å; L155-H157 HydrophobicContact CG-CB 4.44Å; L155-I166 HydrophobicContact CD1-CG2 3.97Å; L155-I166 HydrophobicContact CD2-CG2 4.42Å; L155-P167 HydrophobicContact CD1-CG 4.46Å; L155-P167 HydrophobicContact CD2-CG 4.33Å
156Q96.4Very high94.4Very high97 Ų9760.8 Ų60.845%0.45332%0.318SS..EExtended strand (participates in β ladder)trans-79.8131.2163.9-172.3-174.716.700108.4D132 F133 L138D132-Q156 CarbonylContact O-C 3.45Å; D132-Q156 WeakPolarHBondContact O-CA 3.26Å; F133-Q156 PolarHBondContact O-NE2 2.89Å; F133-Q156 VanDerWaalsContact O-NE2 3.08Å; L138-Q156 HydrophobicContact CD1-CB 3.99Å
157H95.8Very high94.3Very high16 Ų1663.3 Ų63.37%0.07433%0.329CS..  trans-154.5128.5-179.2-16783000112.3D132 L155 I159 I166D132-H157 PolarHBondContact O-N 2.91Å; L155-H157 HydrophobicContact CD1-CB 3.74Å; L155-H157 HydrophobicContact CG-CB 4.44Å; H157-I159 PolarHBondContact CD2-N 3.41Å; H157-I166 VanDerWaalsContact CE1-CG1 3.47Å; H157-I166 WeakPolarHBondContact CE1-CG1 3.33Å
158D95.4Very high94.2Very high32 Ų3262 Ų6217%0.17133%0.325CS..  trans-86.9103.5163.1179.9-10.8000108.6F133 T160 K161F133-D158 HydrophobicContact CD2-CB 3.74Å; F133-D158 HydrophobicContact CE2-CB 3.53Å; F133-D158 HydrophobicContact CZ-CB 4.44Å; D158-T160 VanDerWaalsContact CG-OG1 3.28Å; D158-T160 PolarHBondContact O-N 3.28Å; D158-T160 WeakPolarHBondContact OD1-CA 3.34Å; D158-T160 VanDerWaalsContact OD1-CB 3.23Å; D158-T160 WeakPolarHBondContact OD1-CB 3.44Å; D158-T160 WeakPolarHBondContact OD1-CG2 3.33Å; D158-T160 PolarHBondContact OD1-N 2.99Å; D158-T160 PolarHBondContact OD1-OG1 3.22Å; D158-T160 PolarHBondContact OD2-OG1 3.22Å; D158-K161 HydrophobicContact CB-CB 4.49Å; D158-K161 HydrophobicContact CB-CG 3.77Å; D158-K161 WeakPolarHBondContact O-CB 3.44Å; D158-K161 PolarHBondContact O-N 3.46Å; D158-K161 VanDerWaalsContact OD2-CE 3.24Å; D158-K161 WeakPolarHBondContact OD2-CE 3.3Å
159I95.3Very high94.1Very high11 Ų1166.3 Ų66.36%0.05634%0.34CS..THydrogen-bonded Turntrans-60.8-16.1-179.255177000114.2V106 H157 K161 V181 V185 T193 L197V106-I159 HydrophobicContact CG1-CB 4.43Å; V106-I159 HydrophobicContact CG1-CD1 3.72Å; V106-I159 HydrophobicContact CG1-CG1 4.49Å; V106-I159 HydrophobicContact CG1-CG2 3.36Å; H157-I159 PolarHBondContact CD2-N 3.41Å; I159-K161 VanDerWaalsContact C-N 3.26Å; I159-V181 HydrophobicContact CD1-CG2 4.08Å; I159-V185 HydrophobicContact CD1-CG2 3.79Å; I159-V185 HydrophobicContact CG1-CG2 4.21Å; I159-T193 HydrophobicContact CB-CG2 3.79Å; I159-T193 HydrophobicContact CD1-CG2 3.82Å; I159-T193 HydrophobicContact CG1-CG2 3.83Å; I159-T193 WeakPolarHBondContact O-CG2 3.32Å; I159-T193 PolarHBondContact O-OG1 2.78Å; I159-L197 HydrophobicContact CB-CD1 4.48Å; I159-L197 HydrophobicContact CG2-CD1 4.35Å; I159-L197 HydrophobicContact CG2-CD2 4.17Å
160T94.8Very high94.1Very high12 Ų1268.3 Ų68.37%0.07434%0.336CS..THydrogen-bonded Turntrans-76.7-16.4175.182.40000112.3D158 T162 V185 L189 R192D158-T160 VanDerWaalsContact CG-OG1 3.28Å; D158-T160 PolarHBondContact O-N 3.28Å; D158-T160 WeakPolarHBondContact OD1-CA 3.34Å; D158-T160 VanDerWaalsContact OD1-CB 3.23Å; D158-T160 WeakPolarHBondContact OD1-CB 3.44Å; D158-T160 WeakPolarHBondContact OD1-CG2 3.33Å; D158-T160 PolarHBondContact OD1-N 2.99Å; D158-T160 PolarHBondContact OD1-OG1 3.22Å; D158-T160 PolarHBondContact OD2-OG1 3.22Å; T160-T162 PolarHBondContact O-N 3.08Å; T160-V185 HydrophobicContact CG2-CG1 3.89Å; T160-L189 HydrophobicContact CG2-CD1 3.92Å; T160-R192 PolarHBondContact O-NE 2.72Å; T160-R192 PolarHBondContact O-NH2 3.12Å
161K94.2Very high94.2Very high107 Ų10766.7 Ų66.747%0.46533%0.327SS..  trans-87.872.1175.1-54.3-57.6-177.9-163.20110.5D158 I159 N163 D164D158-K161 HydrophobicContact CB-CB 4.49Å; D158-K161 HydrophobicContact CB-CG 3.77Å; D158-K161 WeakPolarHBondContact O-CB 3.44Å; D158-K161 PolarHBondContact O-N 3.46Å; D158-K161 VanDerWaalsContact OD2-CE 3.24Å; D158-K161 WeakPolarHBondContact OD2-CE 3.3Å; I159-K161 VanDerWaalsContact C-N 3.26Å; K161-N163 PolarHBondContact O-N 3.17Å; K161-D164 HydrophobicContact CB-CB 4.43Å; K161-D164 WeakPolarHBondContact CB-OD2 3.48Å; K161-D164 WeakPolarHBondContact O-CB 3.28Å; K161-D164 PolarHBondContact O-N 2.67Å
162T91.9Very high94.1Very high40 Ų4066.2 Ų66.225%0.24533%0.328CS..THydrogen-bonded Turntrans-66.8-5.6-173.160.20000115.7T160 R192 N196T160-T162 PolarHBondContact O-N 3.08Å; T162-R192 HydrophobicContact CG2-CB 4.36Å; T162-R192 HydrophobicContact CG2-CG 4.24Å; T162-R192 WeakPolarHBondContact CG2-O 3.38Å; T162-N196 HydrophobicContact CG2-CB 3.71Å
163N90.3Very high94.1Very high154 Ų15465.8 Ų65.882%0.82433%0.325SS*.THydrogen-bonded Turntrans-89.7-13.1175-65.8-27000112.5K161K161-N163 PolarHBondContact O-N 3.17Å
164D88.5Confident94.1Very high86 Ų8663.8 Ų63.846%0.4632%0.315SS..SBendtrans-78137.8-177.9-63.9-5.6000109.8K161 I166K161-D164 HydrophobicContact CB-CB 4.43Å; K161-D164 WeakPolarHBondContact CB-OD2 3.48Å; K161-D164 WeakPolarHBondContact O-CB 3.28Å; K161-D164 PolarHBondContact O-N 2.67Å; D164-I166 PolarHBondContact O-N 3.48Å
165E81.8Confident94.1Very high187 Ų18763.2 Ų63.287%0.87431%0.31SS*.PPolyproline II helixtrans-77.8123.4178.6-68.1-172.6171.800110.5
166I90.8Very high94.2Very high11 Ų1162.2 Ų62.26%0.05631%0.305CS..PPolyproline II helixtrans-86.1135.7166.8-56.8177.7000106.7M104 L155 H157 D164 C168 L197 Y200M104-I166 HydrophobicContact CE-CG2 3.58Å; L155-I166 HydrophobicContact CD1-CG2 3.97Å; L155-I166 HydrophobicContact CD2-CG2 4.42Å; H157-I166 VanDerWaalsContact CE1-CG1 3.47Å; H157-I166 WeakPolarHBondContact CE1-CG1 3.33Å; D164-I166 PolarHBondContact O-N 3.48Å; I166-C168 HydrophobicContact CG2-CB 3.89Å; I166-C168 PolarHBondContact O-N 3.28Å; I166-L197 HydrophobicContact CD1-CD2 4.22Å; I166-Y200 HydrophobicContact CB-CE1 4.12Å; I166-Y200 HydrophobicContact CD1-CE2 3.85Å; I166-Y200 HydrophobicContact CG1-CE2 4.48Å
167P91.5Very high94.3Very high81 Ų8157.6 Ų57.653%0.52628%0.283SS..SBendtrans-73.139.2178.533.8-35.8000112.2Y129 I153 L155Y129-P167 WeakPolarHBondContact CE1-O 3.33Å; I153-P167 HydrophobicContact CG2-CG 4.38Å; L155-P167 HydrophobicContact CD1-CG 4.46Å; L155-P167 HydrophobicContact CD2-CG 4.33Å
168C94Very high94.4Very high8 Ų856.9 Ų56.95%0.05428%0.28CS..SBendtrans-120.3133.4176.5-178.10000107.9M104 Y129 I166 L173 Y200M104-C168 HydrophobicContact CE-CB 3.5Å; Y129-C168 HydrophobicContact CD1-CB 4.01Å; Y129-C168 HydrophobicContact CD2-CB 4.45Å; Y129-C168 HydrophobicContact CE1-CB 3.83Å; Y129-C168 HydrophobicContact CE2-CB 4.28Å; Y129-C168 HydrophobicContact CG-CB 4.31Å; I166-C168 HydrophobicContact CG2-CB 3.89Å; I166-C168 PolarHBondContact O-N 3.28Å; C168-L173 VanDerWaalsContact SG-CD2 3.59Å; C168-Y200 HydrophobicContact CB-CD1 3.97Å; C168-Y200 HydrophobicContact CB-CE1 4.33Å; C168-Y200 WeakPolarHBondContact O-CD1 3.49Å; C168-Y200 WeakPolarHBondContact O-CE1 3.34Å
169R95.4Very high94.4Very high200 Ų20055.5 Ų55.576%0.75527%0.273SS*.  trans-70139.2178.1-175.1-175.9168-149.1-3.6109.5S172R169-S172 VanDerWaalsContact O-CB 3.24Å; R169-S172 WeakPolarHBondContact O-CB 3.48Å; R169-S172 PolarHBondContact O-N 3.05Å; R169-S172 PolarHBondContact O-OG 3.38Å
170K96.4Very high94.3Very high116 Ų11661.2 Ų61.250%0.50430%0.297SS..THydrogen-bonded Turntrans-58.4147.3170.3-69.4-173.4177.2179.90111.5S172 T199 Y200K170-S172 VanDerWaalsContact C-N 3.3Å; K170-S172 PolarHBondContact O-N 3.13Å; K170-T199 WeakPolarHBondContact CA-O 3.43Å; K170-T199 WeakPolarHBondContact CB-O 3.42Å; K170-Y200 HydrophobicContact CG-CD1 4.24Å; K170-Y200 HydrophobicContact CG-CE1 4.18Å
171N97.6Very high94.4Very high99 Ų9961.8 Ų61.853%0.52930%0.301SS..THydrogen-bonded Turntrans53.640.2-176.8-54.5-82.1000114.3T199 Y200 I201 K202N171-T199 PolarHBondContact N-O 3.25Å; N171-Y200 PolarHBondContact N-O 2.52Å; N171-I201 WeakPolarHBondContact CA-O 3.22Å; N171-K202 WeakPolarHBondContact O-CB 3.43Å
172S97.3Very high94.4Very high19 Ų1957.8 Ų57.813%0.13328%0.284CS..  trans-123.9-14.7-176.376.90000115.3H102 R169 K170 Y200H102-S172 PolarHBondContact ND1-O 2.84Å; R169-S172 VanDerWaalsContact O-CB 3.24Å; R169-S172 WeakPolarHBondContact O-CB 3.48Å; R169-S172 PolarHBondContact O-N 3.05Å; R169-S172 PolarHBondContact O-OG 3.38Å; K170-S172 VanDerWaalsContact C-N 3.3Å; K170-S172 PolarHBondContact O-N 3.13Å; S172-Y200 PolarHBondContact N-O 2.71Å
173L97.8Very high94.5Very high0 Ų060.9 Ų60.90%031%0.308CS..EExtended strand (participates in β ladder)trans-83.1134179.4-60.6174.9000111.2H102 M104 Y129 C168 Y200 K202H102-L173 HydrophobicContact CB-CD2 4.29Å; M104-L173 HydrophobicContact CB-CD1 3.48Å; M104-L173 VanDerWaalsContact CB-CD1 3.48Å; M104-L173 HydrophobicContact CB-CD2 3.97Å; M104-L173 HydrophobicContact CB-CG 4.37Å; M104-L173 HydrophobicContact CE-CD1 4.12Å; M104-L173 HydrophobicContact CG-CD1 4.4Å; M104-L173 HydrophobicContact SD-CD1 4.09Å; Y129-L173 HydrophobicContact CD2-CD2 3.73Å; Y129-L173 HydrophobicContact CE2-CD2 4.03Å; C168-L173 VanDerWaalsContact SG-CD2 3.59Å; L173-Y200 PolarHBondContact N-O 2.95Å; L173-K202 WeakPolarHBondContact O-CG 3.29Å; L173-K202 PolarHBondContact O-N 3.31Å
174D97.8Very high94.7Very high16 Ų1656.3 Ų56.39%0.08629%0.291CS..EExtended strand (participates in β ladder)trans-71.8-45.4163.5-67-93.9000110.6V101 H102 K202 G205 V206V101-D174 HydrophobicContact CG1-CB 4.2Å; H102-D174 PolarHBondContact N-OD2 2.73Å; H102-D174 WeakPolarHBondContact O-CB 3.46Å; H102-D174 PolarHBondContact O-N 3.22Å; D174-K202 VanDerWaalsContact CG-NZ 3.29Å; D174-K202 VanDerWaalsContact OD1-CE 3.24Å; D174-K202 WeakPolarHBondContact OD1-CE 3.39Å; D174-K202 IonicContact OD1-NZ 3.71Å; D174-K202 PolarHBondContact OD1-NZ 3.13Å; D174-K202 IonicContact OD2-NZ 2.72Å; D174-G205 CarbonylContact O-C 3.51Å; D174-G205 WeakPolarHBondContact O-CA 3.47Å; D174-V206 PolarHBondContact O-N 3.48Å
175F97.9Very high94.9Very high15 Ų1552.9 Ų52.97%0.06627%0.274CS..EExtended strand (participates in β ladder)trans-133.9132.5-176-58.5-82.6000111.3E92 L93 V101 H102 I103 M104 V206 L208E92-F175 HydrophobicContact CB-CE1 4.15Å; E92-F175 VanDerWaalsContact O-CZ 3.24Å; E92-F175 WeakPolarHBondContact O-CZ 3.48Å; L93-F175 HydrophobicContact CD1-CB 3.64Å; L93-F175 HydrophobicContact CD1-CD1 3.89Å; L93-F175 HydrophobicContact CD1-CD2 3.52Å; L93-F175 HydrophobicContact CD1-CE1 4.45Å; L93-F175 HydrophobicContact CD1-CE2 4.12Å; L93-F175 HydrophobicContact CD1-CG 3.39Å; V101-F175 HydrophobicContact CG1-CD2 3.98Å; V101-F175 HydrophobicContact CG1-CE2 3.99Å; H102-F175 PolarHBondContact O-N 3.17Å; I103-F175 CarbonylContact C-O 3.53Å; I103-F175 VanDerWaalsContact CA-O 3.31Å; I103-F175 WeakPolarHBondContact CA-O 3.25Å; I103-F175 HydrophobicContact CG1-CB 4.29Å; I103-F175 HydrophobicContact CG1-CD2 4.25Å; I103-F175 HydrophobicContact CG2-CB 4.32Å; M104-F175 PolarHBondContact N-O 2.94Å; F175-V206 WeakPolarHBondContact CA-O 3.13Å; F175-V206 HydrophobicContact CD1-CB 3.94Å; F175-V206 HydrophobicContact CE1-CB 4.13Å; F175-V206 HydrophobicContact CE1-CG2 4.27Å; F175-L208 HydrophobicContact CB-CD1 4.44Å; F175-L208 HydrophobicContact CD1-CD1 3.87Å; F175-L208 HydrophobicContact CD1-CG 4.4Å; F175-L208 HydrophobicContact CG-CD1 4.47Å
176L98.1Very high95.5Very high0 Ų046.5 Ų46.50%025%0.245CC..EExtended strand (participates in β ladder)trans-109.8123.1165.117565.3000107.8M104 V106 L178 L197 I201 V206 L207 L208M104-L176 HydrophobicContact CB-CD1 3.88Å; M104-L176 HydrophobicContact CG-CD1 3.96Å; M104-L176 HydrophobicContact SD-CD1 4.04Å; V106-L176 HydrophobicContact CG2-CD1 3.86Å; L176-L178 HydrophobicContact CD1-CD2 4Å; L176-L178 HydrophobicContact CD2-CD1 4.48Å; L176-L178 HydrophobicContact CD2-CD2 4.33Å; L176-L178 HydrophobicContact CD2-CG 4.45Å; L176-L178 HydrophobicContact CG-CD2 4.01Å; L176-L178 HydrophobicContact CG-CG 4.2Å; L176-L197 HydrophobicContact CD2-CB 3.71Å; L176-I201 HydrophobicContact CB-CD1 3.83Å; L176-I201 HydrophobicContact CB-CG1 3.89Å; L176-I201 HydrophobicContact CD2-CD1 3.98Å; L176-I201 HydrophobicContact CD2-CG1 4.28Å; L176-V206 PolarHBondContact N-O 2.95Å; L176-L207 HydrophobicContact CB-CD1 4.15Å; L176-L207 HydrophobicContact CD2-CD1 3.67Å; L176-L207 HydrophobicContact CG-CD1 3.81Å; L176-L207 CarbonylContact O-C 3.59Å; L176-L207 WeakPolarHBondContact O-CA 3.39Å; L176-L208 PolarHBondContact O-N 2.99Å
177V98.1Very high95.7Very high0 Ų050.5 Ų50.50%027%0.272CS..EExtended strand (participates in β ladder)trans-113117.3-174.5-175.90000109.4I103 M104 V106 T113 V179 L208I103-V177 HydrophobicContact CG2-CG2 3.87Å; M104-V177 PolarHBondContact O-N 3.27Å; V106-V177 PolarHBondContact N-O 3.24Å; T113-V177 HydrophobicContact CG2-CG1 4.18Å; V177-V179 HydrophobicContact CG1-CG2 3.72Å; V177-L208 CarbonylContact C-O 3.58Å; V177-L208 WeakPolarHBondContact CA-O 3.49Å; V177-L208 HydrophobicContact CG2-CB 4.47Å; V177-L208 HydrophobicContact CG2-CD1 4.16Å
178L97.4Very high95.9Very high1 Ų154.6 Ų54.61%0.00528%0.284CS..  trans-121.546.6-176.7-55.9-171.3000111.9V106 L176 F180 V181 L182 L194 L197 L207 L208 F209V106-L178 HydrophobicContact CB-CD2 3.45Å; V106-L178 VanDerWaalsContact CB-CD2 3.45Å; V106-L178 HydrophobicContact CG1-CD2 4.07Å; V106-L178 HydrophobicContact CG2-CD2 3.57Å; L176-L178 HydrophobicContact CD1-CD2 4Å; L176-L178 HydrophobicContact CD2-CD1 4.48Å; L176-L178 HydrophobicContact CD2-CD2 4.33Å; L176-L178 HydrophobicContact CD2-CG 4.45Å; L176-L178 HydrophobicContact CG-CD2 4.01Å; L176-L178 HydrophobicContact CG-CG 4.2Å; L178-F180 PolarHBondContact O-N 3.36Å; L178-F180 VanDerWaalsContact O-N 3.13Å; L178-V181 HydrophobicContact CB-CG1 3.93Å; L178-V181 HydrophobicContact CD2-CG1 4.2Å; L178-L182 HydrophobicContact CD1-CD1 4.27Å; L178-L182 HydrophobicContact CD1-CD2 4.42Å; L178-L182 HydrophobicContact CD1-CG 4.41Å; L178-L194 HydrophobicContact CD1-CD2 3.55Å; L178-L197 HydrophobicContact CD1-CD1 4.34Å; L178-L197 HydrophobicContact CD2-CD1 4.07Å; L178-L207 HydrophobicContact CB-CD1 4.49Å; L178-L207 HydrophobicContact CD1-CD1 3.51Å; L178-L207 HydrophobicContact CG-CD1 3.63Å; L178-L208 PolarHBondContact N-O 3.11Å; L178-F209 HydrophobicContact CB-CB 4.24Å
179V95.4Very high95.9Very high3 Ų355.3 Ų55.32%0.01829%0.287CS..THydrogen-bonded Turntrans-70.1111.9-176.2175.30000110.9W85 L86 F90 V177 V181W85-V179 HydrophobicContact CH2-CG1 3.93Å; W85-V179 HydrophobicContact CH2-CG2 4.41Å; W85-V179 HydrophobicContact CZ2-CG1 4.2Å; L86-V179 HydrophobicContact CD1-CG2 4.46Å; F90-V179 HydrophobicContact CE2-CG2 3.75Å; F90-V179 HydrophobicContact CZ-CG2 4.34Å; V177-V179 HydrophobicContact CG1-CG2 3.72Å; V179-V181 PolarHBondContact O-N 3.42Å
180F93.9Very high96Very high130 Ų13049 Ų4957%0.5727%0.265SS*.THydrogen-bonded Turntrans62.5-5.8178.8-52.3-51.8000117.2W85 L178 L182 S183W85-F180 HydrophobicContact CZ2-CE2 4.22Å; W85-F180 HydrophobicContact CZ2-CZ 4.44Å; L178-F180 PolarHBondContact O-N 3.36Å; L178-F180 VanDerWaalsContact O-N 3.13Å; F180-L182 PolarHBondContact O-N 3.43Å; F180-S183 WeakPolarHBondContact O-CB 3.4Å; F180-S183 PolarHBondContact O-N 2.87Å
181V96Very high96Very high24 Ų2450.3 Ų50.315%0.14527%0.273CS..G310 helixtrans-67.3-34.3-177.168.40000113.1V106 I159 L178 V179 S183 A184V106-V181 HydrophobicContact CB-CG1 4.36Å; V106-V181 HydrophobicContact CG1-CG1 4.05Å; V106-V181 HydrophobicContact CG1-CG2 4.12Å; V106-V181 WeakPolarHBondContact O-CG1 3.46Å; I159-V181 HydrophobicContact CD1-CG2 4.08Å; L178-V181 HydrophobicContact CB-CG1 3.93Å; L178-V181 HydrophobicContact CD2-CG1 4.2Å; V179-V181 PolarHBondContact O-N 3.42Å; V181-S183 PolarHBondContact O-N 2.87Å; V181-A184 PolarHBondContact O-N 3.46Å
182L95.2Very high96Very high23 Ų2350.5 Ų50.512%0.1227%0.267CS..G310 helixtrans-63.5-28179-66.1178000112L178 F180 A184 V185 F190 L194L178-L182 HydrophobicContact CD1-CD1 4.27Å; L178-L182 HydrophobicContact CD1-CD2 4.42Å; L178-L182 HydrophobicContact CD1-CG 4.41Å; F180-L182 PolarHBondContact O-N 3.43Å; L182-A184 PolarHBondContact O-N 2.87Å; L182-A184 VanDerWaalsContact O-N 3.17Å; L182-V185 PolarHBondContact O-N 2.71Å; L182-F190 HydrophobicContact CB-CE1 4.42Å; L182-F190 HydrophobicContact CB-CZ 4.27Å; L182-F190 WeakPolarHBondContact O-CE1 3.3Å; L182-F190 WeakPolarHBondContact O-CZ 3.32Å; L182-L194 HydrophobicContact CD1-CD1 4.47Å; L182-L194 HydrophobicContact CD1-CD2 4.06Å; L182-L194 HydrophobicContact CD2-CD2 4.16Å; L182-L194 HydrophobicContact CD2-CG 4.48Å
183S93.9Very high95.9Very high106 Ų10649.6 Ų49.674%0.74126%0.26SS*.G310 helixtrans-64.6-17.3175.8-52.20000113.4F180 V181F180-S183 WeakPolarHBondContact O-CB 3.4Å; F180-S183 PolarHBondContact O-N 2.87Å; V181-S183 PolarHBondContact O-N 2.87Å
184A93.3Very high95.8Very high57 Ų5751.9 Ų51.947%0.47127%0.272SS..G310 helixtrans-98.1-017600000113.3W68 V181 L182W68-A184 HydrophobicContact CZ2-CB 4.31Å; V181-A184 PolarHBondContact O-N 3.46Å; L182-A184 PolarHBondContact O-N 2.87Å; L182-A184 VanDerWaalsContact O-N 3.17Å
185V94.4Very high95.8Very high15 Ų1557.6 Ų57.69%0.09130%0.296CS..SBendtrans-100.2142.9179.2176.70000109I159 T160 L182 P187 L189 F190I159-V185 HydrophobicContact CD1-CG2 3.79Å; I159-V185 HydrophobicContact CG1-CG2 4.21Å; T160-V185 HydrophobicContact CG2-CG1 3.89Å; L182-V185 PolarHBondContact O-N 2.71Å; V185-P187 WeakPolarHBondContact O-CD 3.29Å; V185-L189 HydrophobicContact CG1-CB 4.02Å; V185-F190 HydrophobicContact CB-CD1 4.18Å; V185-F190 HydrophobicContact CB-CE1 3.81Å; V185-F190 HydrophobicContact CG1-CD1 3.92Å; V185-F190 HydrophobicContact CG1-CE1 4.05Å; V185-F190 WeakPolarHBondContact O-CE1 3.22Å
186N93.5Very high95.7Very high53 Ų5358 Ų5828%0.28330%0.299SS..  trans-58.6126.7170.8178.7-26.7000110.1E188 L189 F190N186-E188 PolarHBondContact O-N 3.45Å; N186-E188 VanDerWaalsContact O-N 3.1Å; N186-E188 WeakPolarHBondContact OD1-CB 3.22Å; N186-E188 PolarHBondContact OD1-N 2.93Å; N186-L189 HydrophobicContact CB-CD1 3.97Å; N186-L189 HydrophobicContact CB-CG 4.01Å; N186-L189 WeakPolarHBondContact O-CA 3.41Å; N186-L189 WeakPolarHBondContact O-CB 3.23Å; N186-L189 PolarHBondContact O-N 3.16Å; N186-F190 WeakPolarHBondContact O-CD1 3.4Å
187P95Very high95.6Very high95 Ų9558 Ų5862%0.61730%0.299SS*.G310 helixtrans-52.3-32.4-179.8-29.936.7000115.1V185 L189 F190V185-P187 WeakPolarHBondContact O-CD 3.29Å; P187-L189 PolarHBondContact O-N 2.92Å; P187-L189 VanDerWaalsContact O-N 3.16Å; P187-F190 HydrophobicContact CG-CZ 4.43Å; P187-F190 WeakPolarHBondContact O-CB 3.24Å; P187-F190 PolarHBondContact O-N 3.43Å; P187-F190 VanDerWaalsContact O-N 3.15Å
188E95.1Very high95.5Very high166 Ų16661 Ų6178%0.77632%0.317SS*.G310 helixtrans-62.4-22.6176.6-62.4-174.1166.100112.6N186N186-E188 PolarHBondContact O-N 3.45Å; N186-E188 VanDerWaalsContact O-N 3.1Å; N186-E188 WeakPolarHBondContact OD1-CB 3.22Å; N186-E188 PolarHBondContact OD1-N 2.93Å
189L95.5Very high95.5Very high24 Ų2463.2 Ų63.213%0.12633%0.331CS..G310 helixtrans-95.1-8.5-178.2-48.8-177.9000112.6T160 V185 N186 P187 H191 R192 T193T160-L189 HydrophobicContact CG2-CD1 3.92Å; V185-L189 HydrophobicContact CG1-CB 4.02Å; N186-L189 HydrophobicContact CB-CD1 3.97Å; N186-L189 HydrophobicContact CB-CG 4.01Å; N186-L189 WeakPolarHBondContact O-CA 3.41Å; N186-L189 WeakPolarHBondContact O-CB 3.23Å; N186-L189 PolarHBondContact O-N 3.16Å; P187-L189 PolarHBondContact O-N 2.92Å; P187-L189 VanDerWaalsContact O-N 3.16Å; L189-H191 VanDerWaalsContact C-N 3.34Å; L189-H191 PolarHBondContact O-N 2.94Å; L189-R192 HydrophobicContact CB-CG 4.39Å; L189-R192 VanDerWaalsContact CD2-NH1 3.29Å; L189-R192 WeakPolarHBondContact O-CG 3.27Å; L189-R192 PolarHBondContact O-N 3.24Å; L189-T193 WeakPolarHBondContact O-CB 3.4Å; L189-T193 PolarHBondContact O-N 3.23Å; L189-T193 PolarHBondContact O-OG1 3.37Å
190F96.5Very high95.6Very high66 Ų6663.7 Ų63.729%0.28933%0.332SS..Hα-helixtrans-55.3-48.8-176.1-78.610.9000112.2L182 V185 N186 P187 R192 T193 L194L182-F190 HydrophobicContact CB-CE1 4.42Å; L182-F190 HydrophobicContact CB-CZ 4.27Å; L182-F190 WeakPolarHBondContact O-CE1 3.3Å; L182-F190 WeakPolarHBondContact O-CZ 3.32Å; V185-F190 HydrophobicContact CB-CD1 4.18Å; V185-F190 HydrophobicContact CB-CE1 3.81Å; V185-F190 HydrophobicContact CG1-CD1 3.92Å; V185-F190 HydrophobicContact CG1-CE1 4.05Å; V185-F190 WeakPolarHBondContact O-CE1 3.22Å; N186-F190 WeakPolarHBondContact O-CD1 3.4Å; P187-F190 HydrophobicContact CG-CZ 4.43Å; P187-F190 WeakPolarHBondContact O-CB 3.24Å; P187-F190 PolarHBondContact O-N 3.43Å; P187-F190 VanDerWaalsContact O-N 3.15Å; F190-R192 PolarHBondContact O-N 3.49Å; F190-T193 PolarHBondContact O-N 3.42Å; F190-L194 VanDerWaalsContact O-CB 3.3Å; F190-L194 WeakPolarHBondContact O-CB 3.49Å; F190-L194 WeakPolarHBondContact O-CG 3.5Å; F190-L194 PolarHBondContact O-N 3.16Å
191H96.6Very high95.8Very high144 Ų14458.4 Ų58.467%0.66731%0.31SS*.Hα-helixtrans-60.6-47.7-176.5-177.575.6000111.9L189 K195L189-H191 VanDerWaalsContact C-N 3.34Å; L189-H191 PolarHBondContact O-N 2.94Å; H191-K195 WeakPolarHBondContact O-CB 3.45Å; H191-K195 PolarHBondContact O-N 2.97Å
192R96.5Very high95.9Very high104 Ų10460.6 Ų60.639%0.39232%0.317SS..Hα-helixtrans-66.2-43.2-179.269.3174.3-160.6-158.64.1111.5T160 T162 L189 F190 K195 N196T160-R192 PolarHBondContact O-NE 2.72Å; T160-R192 PolarHBondContact O-NH2 3.12Å; T162-R192 HydrophobicContact CG2-CB 4.36Å; T162-R192 HydrophobicContact CG2-CG 4.24Å; T162-R192 WeakPolarHBondContact CG2-O 3.38Å; L189-R192 HydrophobicContact CB-CG 4.39Å; L189-R192 VanDerWaalsContact CD2-NH1 3.29Å; L189-R192 WeakPolarHBondContact O-CG 3.27Å; L189-R192 PolarHBondContact O-N 3.24Å; F190-R192 PolarHBondContact O-N 3.49Å; R192-K195 PolarHBondContact O-N 3.47Å; R192-N196 PolarHBondContact O-N 3.36Å
193T95.8Very high96Very high0 Ų065 Ų650%035%0.348CS..Hα-helixtrans-64.3-51.9-178-63.70000110.5I159 L189 F190 K195 N196 L197I159-T193 HydrophobicContact CB-CG2 3.79Å; I159-T193 HydrophobicContact CD1-CG2 3.82Å; I159-T193 HydrophobicContact CG1-CG2 3.83Å; I159-T193 WeakPolarHBondContact O-CG2 3.32Å; I159-T193 PolarHBondContact O-OG1 2.78Å; L189-T193 WeakPolarHBondContact O-CB 3.4Å; L189-T193 PolarHBondContact O-N 3.23Å; L189-T193 PolarHBondContact O-OG1 3.37Å; F190-T193 PolarHBondContact O-N 3.42Å; T193-K195 PolarHBondContact O-N 3.44Å; T193-N196 PolarHBondContact O-N 3.1Å; T193-L197 HydrophobicContact CG2-CD1 3.83Å; T193-L197 HydrophobicContact CG2-CG 4.48Å; T193-L197 WeakPolarHBondContact O-CG 3.4Å; T193-L197 PolarHBondContact O-N 3.14Å
194L96.7Very high96Very high48 Ų4863.8 Ų63.825%0.25135%0.352SS..Hα-helixtrans-61.3-45.3177.5-71.9174.2000111.3L178 L182 F190 N196 L197 V198L178-L194 HydrophobicContact CD1-CD2 3.55Å; L182-L194 HydrophobicContact CD1-CD1 4.47Å; L182-L194 HydrophobicContact CD1-CD2 4.06Å; L182-L194 HydrophobicContact CD2-CD2 4.16Å; L182-L194 HydrophobicContact CD2-CG 4.48Å; F190-L194 VanDerWaalsContact O-CB 3.3Å; F190-L194 WeakPolarHBondContact O-CB 3.49Å; F190-L194 WeakPolarHBondContact O-CG 3.5Å; F190-L194 PolarHBondContact O-N 3.16Å; L194-N196 PolarHBondContact O-N 2.95Å; L194-L197 PolarHBondContact O-N 3.03Å; L194-V198 WeakPolarHBondContact O-CG1 3.28Å; L194-V198 WeakPolarHBondContact O-CG2 3.5Å; L194-V198 PolarHBondContact O-N 3.44Å
195K96.2Very high96.2Very high136 Ų13662.1 Ų62.159%0.59134%0.34SS*.Hα-helixtrans-57.3-36.8177.8-176.5177.2-178.9178.40112.3H191 R192 T193 V198 T199H191-K195 WeakPolarHBondContact O-CB 3.45Å; H191-K195 PolarHBondContact O-N 2.97Å; R192-K195 PolarHBondContact O-N 3.47Å; T193-K195 PolarHBondContact O-N 3.44Å; K195-V198 WeakPolarHBondContact O-CG2 3.46Å; K195-T199 VanDerWaalsContact O-CG2 3.24Å; K195-T199 WeakPolarHBondContact O-CG2 3.36Å
196N96.4Very high96.3Very high22 Ų2264.1 Ų64.112%0.11835%0.352CS..Hα-helixtrans-70.3-51.5174.7-175.745.9000111.7T162 R192 T193 L194 V198 T199T162-N196 HydrophobicContact CG2-CB 3.71Å; R192-N196 PolarHBondContact O-N 3.36Å; T193-N196 PolarHBondContact O-N 3.1Å; L194-N196 PolarHBondContact O-N 2.95Å; N196-V198 PolarHBondContact O-N 3.24Å; N196-T199 WeakPolarHBondContact O-CB 3.43Å; N196-T199 WeakPolarHBondContact O-CG2 3.2Å; N196-T199 PolarHBondContact O-N 2.89Å; N196-T199 VanDerWaalsContact O-N 3.11Å; N196-T199 PolarHBondContact O-OG1 2.96Å
197L96.6Very high96.5Very high0 Ų065 Ų650%036%0.356CS..Hα-helixtrans-62.5-39.8-174.8-69.1172000112.7V106 I159 I166 L176 L178 T193 L194 T199 Y200V106-L197 HydrophobicContact CG2-CD2 4.21Å; I159-L197 HydrophobicContact CB-CD1 4.48Å; I159-L197 HydrophobicContact CG2-CD1 4.35Å; I159-L197 HydrophobicContact CG2-CD2 4.17Å; I166-L197 HydrophobicContact CD1-CD2 4.22Å; L176-L197 HydrophobicContact CD2-CB 3.71Å; L178-L197 HydrophobicContact CD1-CD1 4.34Å; L178-L197 HydrophobicContact CD2-CD1 4.07Å; T193-L197 HydrophobicContact CG2-CD1 3.83Å; T193-L197 HydrophobicContact CG2-CG 4.48Å; T193-L197 WeakPolarHBondContact O-CG 3.4Å; T193-L197 PolarHBondContact O-N 3.14Å; L194-L197 PolarHBondContact O-N 3.03Å; L197-T199 PolarHBondContact O-N 2.96Å; L197-T199 VanDerWaalsContact O-N 3.14Å; L197-Y200 WeakPolarHBondContact O-CD2 3.17Å; L197-Y200 PolarHBondContact O-N 3.21Å; L197-Y200 VanDerWaalsContact O-N 3.12Å
198V96.6Very high96.6Very high65 Ų6561 Ų6139%0.39433%0.33SS..G310 helixtrans-65.1-18.8178.8-60.90000113L194 K195 N196 Y200 I201L194-V198 WeakPolarHBondContact O-CG1 3.28Å; L194-V198 WeakPolarHBondContact O-CG2 3.5Å; L194-V198 PolarHBondContact O-N 3.44Å; K195-V198 WeakPolarHBondContact O-CG2 3.46Å; N196-V198 PolarHBondContact O-N 3.24Å; V198-Y200 PolarHBondContact O-N 3.24Å; V198-I201 HydrophobicContact CB-CD1 4.28Å; V198-I201 HydrophobicContact CG1-CD1 4.21Å; V198-I201 PolarHBondContact O-N 3.16Å; V198-I201 VanDerWaalsContact O-N 3.16Å
199T96.7Very high96.5Very high46 Ų4661.2 Ų61.228%0.28233%0.328SS..G310 helixtrans-67.4-15.2175.8740000113.7K170 N171 K195 N196 L197K170-T199 WeakPolarHBondContact CA-O 3.43Å; K170-T199 WeakPolarHBondContact CB-O 3.42Å; N171-T199 PolarHBondContact N-O 3.25Å; K195-T199 VanDerWaalsContact O-CG2 3.24Å; K195-T199 WeakPolarHBondContact O-CG2 3.36Å; N196-T199 WeakPolarHBondContact O-CB 3.43Å; N196-T199 WeakPolarHBondContact O-CG2 3.2Å; N196-T199 PolarHBondContact O-N 2.89Å; N196-T199 VanDerWaalsContact O-N 3.11Å; N196-T199 PolarHBondContact O-OG1 2.96Å; L197-T199 PolarHBondContact O-N 2.96Å; L197-T199 VanDerWaalsContact O-N 3.14Å
200Y97.4Very high96.5Very high13 Ų1363.1 Ų63.15%0.05134%0.338CS..G310 helixtrans-86.3-18.1176.1-61.8-84.2000113I166 C168 K170 N171 S172 L173 L197 V198I166-Y200 HydrophobicContact CB-CE1 4.12Å; I166-Y200 HydrophobicContact CD1-CE2 3.85Å; I166-Y200 HydrophobicContact CG1-CE2 4.48Å; C168-Y200 HydrophobicContact CB-CD1 3.97Å; C168-Y200 HydrophobicContact CB-CE1 4.33Å; C168-Y200 WeakPolarHBondContact O-CD1 3.49Å; C168-Y200 WeakPolarHBondContact O-CE1 3.34Å; K170-Y200 HydrophobicContact CG-CD1 4.24Å; K170-Y200 HydrophobicContact CG-CE1 4.18Å; N171-Y200 PolarHBondContact N-O 2.52Å; S172-Y200 PolarHBondContact N-O 2.71Å; L173-Y200 PolarHBondContact N-O 2.95Å; L197-Y200 WeakPolarHBondContact O-CD2 3.17Å; L197-Y200 PolarHBondContact O-N 3.21Å; L197-Y200 VanDerWaalsContact O-N 3.12Å; V198-Y200 PolarHBondContact O-N 3.24Å
201I97.9Very high96.5Very high20 Ų2062.9 Ų62.910%0.10334%0.341CS..EExtended strand (participates in β ladder)trans-75.8132179.1-51.9176.6000109.6N171 L176 V198 G205 L207N171-I201 WeakPolarHBondContact CA-O 3.22Å; L176-I201 HydrophobicContact CB-CD1 3.83Å; L176-I201 HydrophobicContact CB-CG1 3.89Å; L176-I201 HydrophobicContact CD2-CD1 3.98Å; L176-I201 HydrophobicContact CD2-CG1 4.28Å; V198-I201 HydrophobicContact CB-CD1 4.28Å; V198-I201 HydrophobicContact CG1-CD1 4.21Å; V198-I201 PolarHBondContact O-N 3.16Å; V198-I201 VanDerWaalsContact O-N 3.16Å; I201-G205 VanDerWaalsContact CG2-C 3.42Å; I201-L207 HydrophobicContact CD1-CB 4.01Å
202K97.2Very high96.5Very high69 Ų6958.4 Ų58.430%0.332%0.323SS..EExtended strand (participates in β ladder)trans-72.7162.117676.2-171.6-178178.10111.7N171 L173 D174 G204 G205N171-K202 WeakPolarHBondContact O-CB 3.43Å; L173-K202 WeakPolarHBondContact O-CG 3.29Å; L173-K202 PolarHBondContact O-N 3.31Å; D174-K202 VanDerWaalsContact CG-NZ 3.29Å; D174-K202 VanDerWaalsContact OD1-CE 3.24Å; D174-K202 WeakPolarHBondContact OD1-CE 3.39Å; D174-K202 IonicContact OD1-NZ 3.71Å; D174-K202 PolarHBondContact OD1-NZ 3.13Å; D174-K202 IonicContact OD2-NZ 2.72Å; K202-G204 PolarHBondContact O-N 3.29Å; K202-G204 VanDerWaalsContact O-N 3.15Å; K202-G205 PolarHBondContact O-N 3.48Å
203P97.3Very high96.5Very high117 Ų11755.7 Ų55.776%0.7632%0.319SS*.EExtended strand (participates in β ladder)trans-53.6122.5167.4-2635.3000111.6G205P203-G205 VanDerWaalsContact C-N 3.32Å
204G95.4Very high96.6Very high80 Ų8059.2 Ų59.283%0.82534%0.339SS*.EExtended strand (participates in β ladder)trans82.10.6-175.200000115.4K202K202-G204 PolarHBondContact O-N 3.29Å; K202-G204 VanDerWaalsContact O-N 3.15Å
205G96.9Very high96.5Very high22 Ų2259.9 Ų59.923%0.22735%0.345CS..EExtended strand (participates in β ladder)trans-72.7166.1167.200000111.9D174 I201 K202 P203D174-G205 CarbonylContact O-C 3.51Å; D174-G205 WeakPolarHBondContact O-CA 3.47Å; I201-G205 VanDerWaalsContact CG2-C 3.42Å; K202-G205 PolarHBondContact O-N 3.48Å; P203-G205 VanDerWaalsContact C-N 3.32Å
206V96.9Very high96.6Very high56 Ų5654.5 Ų54.534%0.33933%0.327SS..EExtended strand (participates in β ladder)trans-124.6135-168.8-1750000110.8D174 F175 L176 L208D174-V206 PolarHBondContact O-N 3.48Å; F175-V206 WeakPolarHBondContact CA-O 3.13Å; F175-V206 HydrophobicContact CD1-CB 3.94Å; F175-V206 HydrophobicContact CE1-CB 4.13Å; F175-V206 HydrophobicContact CE1-CG2 4.27Å; L176-V206 PolarHBondContact N-O 2.95Å; V206-L208 HydrophobicContact CG1-CD2 3.68Å; V206-L208 HydrophobicContact CG1-CG 4.21Å
207L97.4Very high96.6Very high71 Ų7157 Ų5737%0.37234%0.343SS..EExtended strand (participates in β ladder)trans-90.4124.5164.2170.769.1000108.3L176 L178 I201L176-L207 HydrophobicContact CB-CD1 4.15Å; L176-L207 HydrophobicContact CD2-CD1 3.67Å; L176-L207 HydrophobicContact CG-CD1 3.81Å; L176-L207 CarbonylContact O-C 3.59Å; L176-L207 WeakPolarHBondContact O-CA 3.39Å; L178-L207 HydrophobicContact CB-CD1 4.49Å; L178-L207 HydrophobicContact CD1-CD1 3.51Å; L178-L207 HydrophobicContact CG-CD1 3.63Å; I201-L207 HydrophobicContact CD1-CB 4.01Å
208L96.4Very high96.6Very high12 Ų1261.8 Ų61.86%0.06337%0.372CS..EExtended strand (participates in β ladder)trans-111.9125.4175.6-57.3172.4000107.7F90 L93 F175 L176 V177 L178 V206F90-L208 HydrophobicContact CB-CD1 3.95Å; F90-L208 HydrophobicContact CB-CD2 4.29Å; F90-L208 HydrophobicContact CD1-CB 4.35Å; F90-L208 HydrophobicContact CD1-CD2 3.86Å; F90-L208 HydrophobicContact CD1-CG 4.5Å; F90-L208 HydrophobicContact CD2-CB 4.02Å; F90-L208 HydrophobicContact CD2-CD1 3.99Å; F90-L208 HydrophobicContact CD2-CG 4.42Å; F90-L208 HydrophobicContact CE1-CB 4.26Å; F90-L208 HydrophobicContact CE1-CD2 4.37Å; F90-L208 HydrophobicContact CE2-CB 3.92Å; F90-L208 HydrophobicContact CG-CB 4.26Å; F90-L208 HydrophobicContact CG-CD1 3.96Å; F90-L208 HydrophobicContact CG-CD2 4.02Å; F90-L208 HydrophobicContact CG-CG 4.3Å; F90-L208 HydrophobicContact CZ-CB 4.05Å; L93-L208 HydrophobicContact CB-CD1 4.11Å; L93-L208 HydrophobicContact CD1-CD1 4.05Å; L93-L208 HydrophobicContact CD2-CD1 4.28Å; L93-L208 HydrophobicContact CG-CD1 4.4Å; F175-L208 HydrophobicContact CB-CD1 4.44Å; F175-L208 HydrophobicContact CD1-CD1 3.87Å; F175-L208 HydrophobicContact CD1-CG 4.4Å; F175-L208 HydrophobicContact CG-CD1 4.47Å; L176-L208 PolarHBondContact O-N 2.99Å; V177-L208 CarbonylContact C-O 3.58Å; V177-L208 WeakPolarHBondContact CA-O 3.49Å; V177-L208 HydrophobicContact CG2-CB 4.47Å; V177-L208 HydrophobicContact CG2-CD1 4.16Å; L178-L208 PolarHBondContact N-O 3.11Å; V206-L208 HydrophobicContact CG1-CD2 3.68Å; V206-L208 HydrophobicContact CG1-CG 4.21Å
209F92.9Very high96.6Very high170 Ų17061.5 Ų61.575%0.74637%0.37SS*.  trans-137.10-177.1107.1-92.2000111.1L178L178-F209 HydrophobicContact CB-CB 4.24Å

Retrieved 209 of 209 residues in 65.8 ms (Link to these results)

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