A0A096LSU3_POEFO Loading...

Sphingosine kinase 2

AlphaFold DB , UniProt , Accession A0A096LSU3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 644 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
1M62.1Low82.4Confident38 Ų3893.1 Ų93.119%0.18745%0.452CS..  0-58.50-68.1-65.3169.600111R3 W6 I10 F83 R638M1-R3 VanDerWaalsContact C-N 3.28Å; M1-R3 PolarHBondContact O-N 3.1Å; M1-W6 HydrophobicContact CE-CD2 4.1Å; M1-W6 HydrophobicContact CE-CE3 3.37Å; M1-W6 HydrophobicContact CE-CH2 4.11Å; M1-W6 HydrophobicContact CE-CZ3 3.37Å; M1-W6 HydrophobicContact SD-CD2 3.74Å; M1-W6 HydrophobicContact SD-CE3 3.66Å; M1-W6 HydrophobicContact SD-CG 4.24Å; M1-W6 HydrophobicContact SD-CZ3 4.09Å; M1-I10 HydrophobicContact CE-CD1 3.74Å; M1-F83 HydrophobicContact CB-CD2 3.51Å; M1-F83 HydrophobicContact CB-CE2 3.27Å; M1-F83 HydrophobicContact CB-CG 4.36Å; M1-F83 HydrophobicContact CB-CZ 3.97Å; M1-F83 HydrophobicContact CG-CD1 4.49Å; M1-F83 HydrophobicContact CG-CD2 3.86Å; M1-F83 HydrophobicContact CG-CE1 4.45Å; M1-F83 HydrophobicContact CG-CE2 3.78Å; M1-F83 HydrophobicContact CG-CG 4.22Å; M1-F83 HydrophobicContact CG-CZ 4.08Å; M1-R638 PolarHBondContact SD-NH1 3.2Å
2E73.3Confident83Confident155 Ų15592.3 Ų92.372%0.72446%0.458SS*.  trans-68.8-23.1174.1-63.5-178.5154.900113.5R80E2-R80 IonicContact OE1-NH2 2.95Å; E2-R80 PolarHBondContact OE1-NH2 2.98Å
3R79.6Confident83.7Confident142 Ų14291.8 Ų91.854%0.53647%0.465SS..SBendtrans-71.2145.9169.7-77.317261.9158.70.4112M1 D5 W6M1-R3 VanDerWaalsContact C-N 3.28Å; M1-R3 PolarHBondContact O-N 3.1Å; R3-D5 WeakPolarHBondContact CB-OD1 3.36Å; R3-D5 IonicContact CZ-OD1 3.99Å; R3-D5 IonicContact CZ-OD2 2.97Å; R3-D5 IonicContact NE-OD1 2.7Å; R3-D5 PolarHBondContact NE-OD1 3.46Å; R3-D5 IonicContact NE-OD2 3.16Å; R3-D5 VanDerWaalsContact NH2-CG 3.34Å; R3-D5 IonicContact NH2-OD1 2.7Å; R3-D5 PolarHBondContact NH2-OD1 2.72Å; R3-D5 IonicContact NH2-OD2 3.2Å; R3-D5 PolarHBondContact NH2-OD2 3.45Å; R3-D5 PolarHBondContact O-N 2.85Å; R3-W6 WeakPolarHBondContact O-CB 3.15Å; R3-W6 PolarHBondContact O-N 3.4Å
4P81.3Confident84.2Confident121 Ų12197.3 Ų97.379%0.78650%0.495SS*.THydrogen-bonded Turntrans-67.5-33.1175.928.9-35.2000112.9W6P4-W6 PolarHBondContact O-N 2.76Å
5D88.2Confident84.6Confident73 Ų7394.7 Ų94.739%0.3950%0.502SS..THydrogen-bonded Turntrans-89.330.5-179.969.5-36000112.9R3 E7 Q8 A9R3-D5 WeakPolarHBondContact CB-OD1 3.36Å; R3-D5 IonicContact CZ-OD1 3.99Å; R3-D5 IonicContact CZ-OD2 2.97Å; R3-D5 IonicContact NE-OD1 2.7Å; R3-D5 PolarHBondContact NE-OD1 3.46Å; R3-D5 IonicContact NE-OD2 3.16Å; R3-D5 VanDerWaalsContact NH2-CG 3.34Å; R3-D5 IonicContact NH2-OD1 2.7Å; R3-D5 PolarHBondContact NH2-OD1 2.72Å; R3-D5 IonicContact NH2-OD2 3.2Å; R3-D5 PolarHBondContact NH2-OD2 3.45Å; R3-D5 PolarHBondContact O-N 2.85Å; D5-E7 VanDerWaalsContact C-N 3.29Å; D5-E7 PolarHBondContact O-N 3.38Å; D5-Q8 PolarHBondContact O-N 2.83Å; D5-A9 WeakPolarHBondContact O-CB 3.37Å; D5-A9 PolarHBondContact O-N 3.27Å
6W85.6Confident85.1Confident40 Ų4092 Ų9215%0.15249%0.487CS..Hα-helixtrans-62.2-33-167.770.9-95.8000114.2M1 R3 P4 Q8 A9 I10 D514 P516M1-W6 HydrophobicContact CE-CD2 4.1Å; M1-W6 HydrophobicContact CE-CE3 3.37Å; M1-W6 HydrophobicContact CE-CH2 4.11Å; M1-W6 HydrophobicContact CE-CZ3 3.37Å; M1-W6 HydrophobicContact SD-CD2 3.74Å; M1-W6 HydrophobicContact SD-CE3 3.66Å; M1-W6 HydrophobicContact SD-CG 4.24Å; M1-W6 HydrophobicContact SD-CZ3 4.09Å; R3-W6 WeakPolarHBondContact O-CB 3.15Å; R3-W6 PolarHBondContact O-N 3.4Å; P4-W6 PolarHBondContact O-N 2.76Å; W6-Q8 VanDerWaalsContact C-N 3.25Å; W6-Q8 PolarHBondContact O-N 3.34Å; W6-A9 PolarHBondContact O-N 3.05Å; W6-I10 HydrophobicContact CE3-CG2 4.28Å; W6-I10 HydrophobicContact CZ3-CG2 4.44Å; W6-I10 WeakPolarHBondContact O-CB 3.38Å; W6-I10 VanDerWaalsContact O-CG2 3.3Å; W6-I10 WeakPolarHBondContact O-CG2 3.35Å; W6-I10 PolarHBondContact O-N 3.14Å; W6-D514 PolarHBondContact NE1-O 3.03Å; W6-P516 HydrophobicContact CH2-CG 3.46Å; W6-P516 VanDerWaalsContact CH2-CG 3.46Å; W6-P516 VanDerWaalsContact CZ2-CD 3.49Å; W6-P516 HydrophobicContact CZ2-CG 3.42Å; W6-P516 VanDerWaalsContact CZ2-CG 3.42Å; W6-P516 HydrophobicContact CZ3-CG 4.48Å
7E84.6Confident85.5Confident125 Ų12591.5 Ų91.558%0.58448%0.484SS*.Hα-helixtrans-63.4-31.5-179.3-63.8-176.6169.300112.6D5 K11D5-E7 VanDerWaalsContact C-N 3.29Å; D5-E7 PolarHBondContact O-N 3.38Å; E7-K11 WeakPolarHBondContact O-CE 3.42Å; E7-K11 WeakPolarHBondContact O-CG 3.47Å
8Q86.8Confident85.9Confident123 Ų12387.1 Ų87.158%0.57546%0.461SS*.Hα-helixtrans-90.1-38.9174.3-169.660.120.500111.1D5 W6 I10 K11D5-Q8 PolarHBondContact O-N 2.83Å; W6-Q8 VanDerWaalsContact C-N 3.25Å; W6-Q8 PolarHBondContact O-N 3.34Å; Q8-I10 VanDerWaalsContact C-N 3.29Å; Q8-I10 PolarHBondContact O-N 2.87Å; Q8-K11 PolarHBondContact O-N 3.2Å
9A87.9Confident86.1Confident25 Ų2588.5 Ų88.521%0.20748%0.478CS..Hα-helixtrans-60.1-37.5178.300000112.7D5 W6 K11 T12D5-A9 WeakPolarHBondContact O-CB 3.37Å; D5-A9 PolarHBondContact O-N 3.27Å; W6-A9 PolarHBondContact O-N 3.05Å; A9-K11 PolarHBondContact O-N 3.23Å; A9-T12 VanDerWaalsContact O-CB 3.23Å; A9-T12 WeakPolarHBondContact O-CB 3.21Å; A9-T12 PolarHBondContact O-N 3.45Å; A9-T12 VanDerWaalsContact O-N 3.13Å; A9-T12 PolarHBondContact O-OG1 3.09Å
10I87.9Confident86.1Confident56 Ų5686.5 Ų86.529%0.28748%0.479SS..THydrogen-bonded Turntrans-70.7-17.3-179-158.9162.5000113.6M1 W6 Q8 T12 L61 I640M1-I10 HydrophobicContact CE-CD1 3.74Å; W6-I10 HydrophobicContact CE3-CG2 4.28Å; W6-I10 HydrophobicContact CZ3-CG2 4.44Å; W6-I10 WeakPolarHBondContact O-CB 3.38Å; W6-I10 VanDerWaalsContact O-CG2 3.3Å; W6-I10 WeakPolarHBondContact O-CG2 3.35Å; W6-I10 PolarHBondContact O-N 3.14Å; Q8-I10 VanDerWaalsContact C-N 3.29Å; Q8-I10 PolarHBondContact O-N 2.87Å; I10-T12 PolarHBondContact O-N 2.66Å; I10-L61 HydrophobicContact CD1-CD1 4.13Å; I10-I640 HydrophobicContact CD1-CD1 3.53Å; I10-I640 HydrophobicContact CD1-CG1 4.1Å; I10-I640 HydrophobicContact CG1-CD1 4.02Å
11K88.8Confident85.9Confident126 Ų12683.6 Ų83.655%0.54847%0.465SS..THydrogen-bonded Turntrans-79.6-4172.9-60.6172.5-173.71720112.7E7 Q8 A9 P13E7-K11 WeakPolarHBondContact O-CE 3.42Å; E7-K11 WeakPolarHBondContact O-CG 3.47Å; Q8-K11 PolarHBondContact O-N 3.2Å; A9-K11 PolarHBondContact O-N 3.23Å; K11-P13 WeakPolarHBondContact O-CD 3.3Å
12T90.5Very high87Confident84 Ų8484.2 Ų84.252%0.51548%0.48SS..SBendtrans-79.1119.4179.2-47.50000109.7A9 I10 L14A9-T12 VanDerWaalsContact O-CB 3.23Å; A9-T12 WeakPolarHBondContact O-CB 3.21Å; A9-T12 PolarHBondContact O-N 3.45Å; A9-T12 VanDerWaalsContact O-N 3.13Å; A9-T12 PolarHBondContact O-OG1 3.09Å; I10-T12 PolarHBondContact O-N 2.66Å; T12-L14 PolarHBondContact O-N 3.06Å
13P91.3Very high87.9Confident86 Ų8678 Ų7856%0.55845%0.452SS*.  trans-62.1130.9177.3-22.134.5000111.3K11 I56K11-P13 WeakPolarHBondContact O-CD 3.3Å; P13-I56 HydrophobicContact CB-CD1 4.25Å; P13-I56 HydrophobicContact CB-CG1 4.21Å; P13-I56 HydrophobicContact CG-CD1 3.69Å; P13-I56 HydrophobicContact CG-CG1 4.2Å
14L90.9Very high88.6Confident168 Ų16871.4 Ų71.488%0.8843%0.429SS*.  trans-105.7131.6178-61.7-178.4000110.6T12T12-L14 PolarHBondContact O-N 3.06Å
15G91Very high89.2Confident58 Ų5866.8 Ų66.860%0.59840%0.397SS*.  trans-104.2146.9171.900000111.8L51G15-L51 VanDerWaalsContact CA-CD2 3.42Å
16I91.1Very high89.5Confident52 Ų5263.3 Ų63.327%0.26738%0.378SS..  trans-117.6138.2173.7-172.8169.3000110.9L25 A26 I29I16-L25 HydrophobicContact CD1-CB 4.08Å; I16-L25 HydrophobicContact CD1-CD2 4.13Å; I16-L25 HydrophobicContact CD1-CG 4.32Å; I16-A26 HydrophobicContact CD1-CB 4.4Å; I16-A26 HydrophobicContact CG2-CB 4.3Å; I16-I29 HydrophobicContact CG2-CD1 3.5Å; I16-I29 VanDerWaalsContact CG2-CD1 3.5Å
17L92.9Very high89.8Confident84 Ų8461.5 Ų61.544%0.4437%0.373SS..  trans-119.2125.4168.2-69.6177.2000109.1C19 L44 C47 C48 L51L17-C19 PolarHBondContact O-N 2.98Å; L17-L44 HydrophobicContact CB-CD1 4.16Å; L17-L44 HydrophobicContact CD2-CD1 4.09Å; L17-C47 HydrophobicContact CD2-CB 4.34Å; L17-C48 VanDerWaalsContact CD2-SG 3.51Å; L17-L51 HydrophobicContact CD2-CD1 3.62Å; L17-L51 HydrophobicContact CG-CD1 3.89Å
18P92.6Very high90.3Very high11 Ų1155.6 Ų55.67%0.07135%0.345CS..  trans-77.282.9-175.231.1-37.1000112.3N23 A26 L43 L44 C47P18-N23 VanDerWaalsContact CA-OD1 3.28Å; P18-N23 WeakPolarHBondContact CA-OD1 3.39Å; P18-N23 HydrophobicContact CB-CB 3.82Å; P18-N23 WeakPolarHBondContact CB-OD1 3.4Å; P18-A26 HydrophobicContact CB-CB 3.86Å; P18-A26 HydrophobicContact CG-CB 4.24Å; P18-L43 HydrophobicContact CB-CD2 4.14Å; P18-L43 HydrophobicContact CB-CG 4.49Å; P18-L43 HydrophobicContact CG-CD2 4.27Å; P18-L43 HydrophobicContact CG-CG 4.07Å; P18-L44 HydrophobicContact CG-CB 4.07Å; P18-L44 HydrophobicContact CG-CD1 4.16Å; P18-C47 HydrophobicContact CG-CB 4.44Å
19C88.9Confident90.7Very high114 Ų11452.1 Ų52.177%0.7733%0.33SS*.  trans-97.5-0.2177.6-59.70000113.8L17L17-C19 PolarHBondContact O-N 2.98Å
20G86.3Confident90.9Very high49 Ų4951.1 Ų51.151%0.50532%0.321SS..SBendtrans-105.3-172.3-17300000114.6N23G20-N23 PolarHBondContact N-OD1 3.23Å; G20-N23 PolarHBondContact O-ND2 3.32Å
21S82.9Confident91.1Very high26 Ų2650.8 Ų50.818%0.18232%0.318CS..SBendtrans-88.1-35.5165.951.40000112.5G107 R110S21-G107 WeakPolarHBondContact CB-O 3.5Å; S21-R110 PolarHBondContact OG-NE 2.78Å; S21-R110 PolarHBondContact OG-NH2 2.6Å
22G84.4Confident91.3Very high50 Ų5046.8 Ų46.852%0.51530%0.3SS..  trans-93.4113.5168.800000110.4
23N92.1Very high91.3Very high24 Ų2444.4 Ų44.413%0.12829%0.288CS..  trans-130.133.6-175.5-61.9-57.6000112.1P18 G20 L25 A26 G27 L43 A553P18-N23 VanDerWaalsContact CA-OD1 3.28Å; P18-N23 WeakPolarHBondContact CA-OD1 3.39Å; P18-N23 HydrophobicContact CB-CB 3.82Å; P18-N23 WeakPolarHBondContact CB-OD1 3.4Å; G20-N23 PolarHBondContact N-OD1 3.23Å; G20-N23 PolarHBondContact O-ND2 3.32Å; N23-L25 PolarHBondContact O-N 2.75Å; N23-A26 HydrophobicContact CB-CB 4.38Å; N23-A26 WeakPolarHBondContact O-CB 3.45Å; N23-A26 PolarHBondContact O-N 2.9Å; N23-A26 VanDerWaalsContact O-N 3.11Å; N23-G27 PolarHBondContact O-N 3.11Å; N23-L43 HydrophobicContact CB-CD2 4.29Å; N23-A553 HydrophobicContact CB-CB 4.18Å
24A93.7Very high91.2Very high5 Ų542.2 Ų42.24%0.04128%0.281CS..Hα-helixtrans-60.7-42.6-168.500000114.6A26 G27 S28 L86 L551A24-A26 VanDerWaalsContact C-N 3.34Å; A24-A26 PolarHBondContact O-N 3.3Å; A24-G27 PolarHBondContact O-N 3.02Å; A24-S28 PolarHBondContact O-N 2.69Å; A24-S28 PolarHBondContact O-OG 3.5Å; A24-L86 HydrophobicContact CB-CD1 3.65Å; A24-L86 HydrophobicContact CB-CD2 3.76Å; A24-L86 HydrophobicContact CB-CG 4.35Å; A24-L551 VanDerWaalsContact CB-C 3.49Å; A24-L551 VanDerWaalsContact CB-O 3.31Å; A24-L551 WeakPolarHBondContact CB-O 3.45Å
25L94Very high91.1Very high23 Ų2336.9 Ų36.912%0.1225%0.25CC..Hα-helixtrans-64.7-37.7174.7178.463.2000111.8I16 N23 S28 I29 F85 Q548 F563I16-L25 HydrophobicContact CD1-CB 4.08Å; I16-L25 HydrophobicContact CD1-CD2 4.13Å; I16-L25 HydrophobicContact CD1-CG 4.32Å; N23-L25 PolarHBondContact O-N 2.75Å; L25-S28 WeakPolarHBondContact O-CB 3.28Å; L25-S28 PolarHBondContact O-N 2.74Å; L25-I29 HydrophobicContact CD1-CD1 4.22Å; L25-I29 HydrophobicContact CD1-CG1 4.44Å; L25-I29 HydrophobicContact CG-CD1 4Å; L25-I29 WeakPolarHBondContact O-CG1 3.49Å; L25-I29 PolarHBondContact O-N 2.68Å; L25-F85 HydrophobicContact CB-CD2 4.5Å; L25-F85 HydrophobicContact CB-CE2 4.07Å; L25-F85 HydrophobicContact CD2-CD2 3.8Å; L25-F85 HydrophobicContact CD2-CE2 3.75Å; L25-F85 HydrophobicContact CG-CE2 4.46Å; L25-Q548 HydrophobicContact CD1-CG 4.25Å; L25-F563 HydrophobicContact CD1-CE1 4.05Å
26A94.4Very high90.9Very high0 Ų039.3 Ų39.30%025%0.249CC..Hα-helixtrans-67-41176.100000111.9I16 P18 N23 A24 S28 I29 N30 L43I16-A26 HydrophobicContact CD1-CB 4.4Å; I16-A26 HydrophobicContact CG2-CB 4.3Å; P18-A26 HydrophobicContact CB-CB 3.86Å; P18-A26 HydrophobicContact CG-CB 4.24Å; N23-A26 HydrophobicContact CB-CB 4.38Å; N23-A26 WeakPolarHBondContact O-CB 3.45Å; N23-A26 PolarHBondContact O-N 2.9Å; N23-A26 VanDerWaalsContact O-N 3.11Å; A24-A26 VanDerWaalsContact C-N 3.34Å; A24-A26 PolarHBondContact O-N 3.3Å; A26-S28 VanDerWaalsContact C-N 3.34Å; A26-S28 PolarHBondContact O-N 3.19Å; A26-I29 PolarHBondContact O-N 2.84Å; A26-N30 WeakPolarHBondContact O-CB 3.39Å; A26-N30 PolarHBondContact O-N 2.87Å; A26-L43 HydrophobicContact CB-CD2 4.48Å
27G93.7Very high90.6Very high3 Ų341.4 Ų41.43%0.03126%0.259CS..Hα-helixtrans-59.4-42.917100000112.5N23 A24 N30 H31N23-G27 PolarHBondContact O-N 3.11Å; A24-G27 PolarHBondContact O-N 3.02Å; G27-N30 PolarHBondContact O-N 2.88Å; G27-H31 PolarHBondContact O-N 2.88Å
28S94.4Very high90.2Very high0 Ų038.5 Ų38.50%025%0.245CC..Hα-helixtrans-60.4-49.4174.4-56.70000111.8A24 L25 A26 N30 H31 Y32 H550A24-S28 PolarHBondContact O-N 2.69Å; A24-S28 PolarHBondContact O-OG 3.5Å; L25-S28 WeakPolarHBondContact O-CB 3.28Å; L25-S28 PolarHBondContact O-N 2.74Å; A26-S28 VanDerWaalsContact C-N 3.34Å; A26-S28 PolarHBondContact O-N 3.19Å; S28-N30 PolarHBondContact O-N 3.09Å; S28-H31 PolarHBondContact O-N 2.92Å; S28-Y32 WeakPolarHBondContact O-CD2 3.25Å; S28-Y32 PolarHBondContact O-N 2.78Å; S28-H550 WeakPolarHBondContact OG-CB 3.16Å; S28-H550 PolarHBondContact OG-N 3.08Å
29I93.9Very high89.9Confident51 Ų5141.5 Ų41.526%0.26226%0.261SS..Hα-helixtrans-59.5-44.3177.2-72165.9000111.6I16 L25 A26 H31 Y32 A33 L50 F563I16-I29 HydrophobicContact CG2-CD1 3.5Å; I16-I29 VanDerWaalsContact CG2-CD1 3.5Å; L25-I29 HydrophobicContact CD1-CD1 4.22Å; L25-I29 HydrophobicContact CD1-CG1 4.44Å; L25-I29 HydrophobicContact CG-CD1 4Å; L25-I29 WeakPolarHBondContact O-CG1 3.49Å; L25-I29 PolarHBondContact O-N 2.68Å; A26-I29 PolarHBondContact O-N 2.84Å; I29-H31 PolarHBondContact O-N 2.88Å; I29-Y32 PolarHBondContact O-N 2.85Å; I29-A33 WeakPolarHBondContact O-CB 3.36Å; I29-A33 PolarHBondContact O-N 2.91Å; I29-L50 HydrophobicContact CG2-CD1 3.86Å; I29-F563 HydrophobicContact CB-CZ 4.38Å; I29-F563 HydrophobicContact CG1-CE1 4.19Å; I29-F563 HydrophobicContact CG1-CE2 4.4Å; I29-F563 HydrophobicContact CG1-CZ 3.52Å
30N93.8Very high89.8Confident3 Ų345.4 Ų45.42%0.01626%0.259CS..Hα-helixtrans-58.5-45.2174.8178.788.2000111.7A26 G27 S28 A33 G34 Y35 D36 L43 N46A26-N30 WeakPolarHBondContact O-CB 3.39Å; A26-N30 PolarHBondContact O-N 2.87Å; G27-N30 PolarHBondContact O-N 2.88Å; S28-N30 PolarHBondContact O-N 3.09Å; N30-A33 PolarHBondContact O-N 2.87Å; N30-G34 PolarHBondContact O-N 3.04Å; N30-Y35 PolarHBondContact O-N 2.85Å; N30-Y35 WeakPolarHBondContact OD1-CB 3.43Å; N30-D36 PolarHBondContact ND2-O 2.83Å; N30-L43 HydrophobicContact CB-CD1 3.57Å; N30-N46 VanDerWaalsContact OD1-CB 3.31Å; N30-N46 WeakPolarHBondContact OD1-CB 3.34Å; N30-N46 PolarHBondContact OD1-ND2 2.93Å
31H92.4Very high90Very high50 Ų5049.8 Ų49.823%0.23127%0.266CS..Hα-helixtrans-63-47.8177-178.588.4000112.9G27 S28 I29 A33 G34 H550 H556G27-H31 PolarHBondContact O-N 2.88Å; S28-H31 PolarHBondContact O-N 2.92Å; I29-H31 PolarHBondContact O-N 2.88Å; H31-A33 PolarHBondContact O-N 2.81Å; H31-G34 PolarHBondContact O-N 3.5Å; H31-H550 AromaticContact CG-CE1 3.91Å; H31-H556 AromaticContact CE1-CE1 3.75Å
32Y91.3Very high90.4Very high42 Ų4251.1 Ų51.117%0.16528%0.275CS..Hα-helixtrans-72.8-16-180-60.8-65.8000113.9S28 I29 R57 S549 A561 R562 F563S28-Y32 WeakPolarHBondContact O-CD2 3.25Å; S28-Y32 PolarHBondContact O-N 2.78Å; I29-Y32 PolarHBondContact O-N 2.85Å; Y32-R57 PolarHBondContact O-NH2 3.18Å; Y32-S549 WeakPolarHBondContact OH-CB 3.43Å; Y32-S549 PolarHBondContact OH-OG 3.3Å; Y32-A561 VanDerWaalsContact OH-C 3.25Å; Y32-A561 PolarHBondContact OH-O 3.11Å; Y32-R562 WeakPolarHBondContact OH-CA 3.31Å; Y32-F563 HydrophobicContact CD2-CD1 4.46Å; Y32-F563 AromaticContact CD2-CD2 3.94Å; Y32-F563 HydrophobicContact CD2-CD2 3.94Å; Y32-F563 AromaticContact CD2-CE1 3.88Å; Y32-F563 HydrophobicContact CD2-CE1 3.88Å; Y32-F563 AromaticContact CD2-CE2 3.27Å; Y32-F563 HydrophobicContact CD2-CE2 3.27Å; Y32-F563 HydrophobicContact CD2-CG 4.49Å; Y32-F563 AromaticContact CD2-CZ 3.24Å; Y32-F563 HydrophobicContact CD2-CZ 3.24Å; Y32-F563 HydrophobicContact CE2-CD1 4.1Å; Y32-F563 HydrophobicContact CE2-CD2 4.21Å; Y32-F563 AromaticContact CE2-CE1 3.73Å; Y32-F563 HydrophobicContact CE2-CE1 3.73Å; Y32-F563 AromaticContact CE2-CE2 3.86Å; Y32-F563 HydrophobicContact CE2-CE2 3.86Å; Y32-F563 HydrophobicContact CE2-CG 4.32Å; Y32-F563 AromaticContact CE2-CZ 3.61Å; Y32-F563 HydrophobicContact CE2-CZ 3.61Å; Y32-F563 AromaticContact CG-CE2 3.96Å; Y32-F563 HydrophobicContact CG-CE2 3.96Å; Y32-F563 HydrophobicContact CG-CZ 4.31Å
33A90.7Very high90.8Very high33 Ų3348.8 Ų48.827%0.27325%0.25SS..THydrogen-bonded Turntrans-75-13.3166.600000113.2I29 N30 H31 Y35 L50I29-A33 WeakPolarHBondContact O-CB 3.36Å; I29-A33 PolarHBondContact O-N 2.91Å; N30-A33 PolarHBondContact O-N 2.87Å; H31-A33 PolarHBondContact O-N 2.81Å; A33-Y35 HydrophobicContact CB-CD2 3.72Å; A33-Y35 HydrophobicContact CB-CE2 3.94Å; A33-L50 HydrophobicContact CB-CD1 3.61Å; A33-L50 HydrophobicContact CB-CD2 3.69Å; A33-L50 HydrophobicContact CB-CG 4.27Å
34G89.8Confident90.9Very high40 Ų4050.5 Ų50.541%0.41226%0.259SS..THydrogen-bonded Turntrans85.417.3-179.200000114.5N30 H31N30-G34 PolarHBondContact O-N 3.04Å; H31-G34 PolarHBondContact O-N 3.5Å
35Y89.3Confident90.9Very high56 Ų5653.4 Ų53.422%0.2227%0.274CS..PPolyproline II helixtrans-83.9151.1169.9-65.7-64.6000111.3N30 A33 N46 L50N30-Y35 PolarHBondContact O-N 2.85Å; N30-Y35 WeakPolarHBondContact OD1-CB 3.43Å; A33-Y35 HydrophobicContact CB-CD2 3.72Å; A33-Y35 HydrophobicContact CB-CE2 3.94Å; Y35-N46 HydrophobicContact CD2-CB 4.12Å; Y35-N46 HydrophobicContact CE2-CB 4.3Å; Y35-L50 HydrophobicContact CD2-CD1 4.29Å; Y35-L50 HydrophobicContact CE2-CD1 4Å; Y35-L50 HydrophobicContact CE2-CD2 4.07Å; Y35-L50 HydrophobicContact CE2-CG 3.98Å
36D87Confident90.9Very high110 Ų11053.4 Ų53.459%0.58827%0.274SS*.PPolyproline II helixtrans-61.3154.5172.1-59.7-63.6000112N30 C38N30-D36 PolarHBondContact ND2-O 2.83Å; D36-C38 PolarHBondContact O-N 2.93Å
37M83.4Confident90.9Very high95 Ų9553.5 Ų53.547%0.46828%0.275SS..PPolyproline II helixtrans-64.6117.9177.2-174.8174.47300109.8E590M37-E590 HydrophobicContact CE-CG 4.34Å
38C85.3Confident91Very high23 Ų2355.6 Ų55.616%0.15529%0.288CS..  trans-139.8159.4-175.264.70000111D36 P42 N46D36-C38 PolarHBondContact O-N 2.93Å; C38-P42 HydrophobicContact CB-CB 3.95Å; C38-N46 PolarHBondContact SG-ND2 3.27Å
39L85.8Confident91Very high75 Ų7560.4 Ų60.439%0.39331%0.309SS..  trans-132.3157.1-171-58.2175.3000110.8E41 P42 A553 D554L39-E41 PolarHBondContact O-N 3.08Å; L39-P42 WeakPolarHBondContact O-CD 3.45Å; L39-A553 HydrophobicContact CD2-CB 3.68Å; L39-D554 HydrophobicContact CD1-CB 4.19Å; L39-D554 HydrophobicContact CD2-CB 3.92Å
40R87.8Confident90.9Very high195 Ų19559.8 Ų59.874%0.73631%0.306SS*.SBendtrans57.1-125176.5-53.5178.1-178.8-179.40111.8L43 L44R40-L43 WeakPolarHBondContact O-CB 3.17Å; R40-L43 PolarHBondContact O-N 2.67Å; R40-L44 PolarHBondContact O-N 2.99Å
41E89.8Confident90.9Very high141 Ų14163.3 Ų63.366%0.65933%0.325SS*.Hα-helixtrans-62.1-48.3-171.9173.7171.9-151.600113.8L39 L43 L44 L45L39-E41 PolarHBondContact O-N 3.08Å; E41-L43 VanDerWaalsContact C-N 3.29Å; E41-L43 PolarHBondContact O-N 3.45Å; E41-L44 WeakPolarHBondContact O-CB 3.42Å; E41-L44 PolarHBondContact O-N 2.8Å; E41-L44 VanDerWaalsContact O-N 3.14Å; E41-L45 HydrophobicContact CG-CD1 4.13Å; E41-L45 WeakPolarHBondContact O-CG 3.26Å; E41-L45 PolarHBondContact O-N 2.92Å
42P91.6Very high91Very high54 Ų5466.5 Ų66.535%0.35135%0.351SS..Hα-helixtrans-51.4-41.5168.7-3336.3000115C38 L39 L45 N46C38-P42 HydrophobicContact CB-CB 3.95Å; L39-P42 WeakPolarHBondContact O-CD 3.45Å; P42-L45 PolarHBondContact O-N 2.89Å; P42-N46 WeakPolarHBondContact O-CB 3.38Å; P42-N46 PolarHBondContact O-N 3.41Å
43L92.7Very high91Very high1 Ų174.8 Ų74.81%0.00538%0.382CS..Hα-helixtrans-68.7-41177.8-173.468000111.4P18 N23 A26 N30 R40 E41 N46 C47 A553P18-L43 HydrophobicContact CB-CD2 4.14Å; P18-L43 HydrophobicContact CB-CG 4.49Å; P18-L43 HydrophobicContact CG-CD2 4.27Å; P18-L43 HydrophobicContact CG-CG 4.07Å; N23-L43 HydrophobicContact CB-CD2 4.29Å; A26-L43 HydrophobicContact CB-CD2 4.48Å; N30-L43 HydrophobicContact CB-CD1 3.57Å; R40-L43 WeakPolarHBondContact O-CB 3.17Å; R40-L43 PolarHBondContact O-N 2.67Å; E41-L43 VanDerWaalsContact C-N 3.29Å; E41-L43 PolarHBondContact O-N 3.45Å; L43-N46 PolarHBondContact O-N 2.81Å; L43-C47 WeakPolarHBondContact O-CB 3.43Å; L43-C47 PolarHBondContact O-N 3.47Å; L43-C47 PolarHBondContact O-SG 2.75Å; L43-A553 HydrophobicContact CD2-CB 3.71Å
44L94.3Very high90.9Very high60 Ų6075.9 Ų75.931%0.31440%0.397SS..Hα-helixtrans-60.4-45.8173.9179.261.4000111.4L17 P18 R40 E41 C47 C48L17-L44 HydrophobicContact CB-CD1 4.16Å; L17-L44 HydrophobicContact CD2-CD1 4.09Å; P18-L44 HydrophobicContact CG-CB 4.07Å; P18-L44 HydrophobicContact CG-CD1 4.16Å; R40-L44 PolarHBondContact O-N 2.99Å; E41-L44 WeakPolarHBondContact O-CB 3.42Å; E41-L44 PolarHBondContact O-N 2.8Å; E41-L44 VanDerWaalsContact O-N 3.14Å; L44-C47 PolarHBondContact O-N 3.48Å; L44-C48 WeakPolarHBondContact O-CB 3.35Å; L44-C48 PolarHBondContact O-N 2.93Å; L44-C48 PolarHBondContact O-SG 2.82Å
45L94.1Very high90.8Very high66 Ų6677.2 Ų77.235%0.34641%0.41SS..Hα-helixtrans-61.5-48.2177-70.6170.2000111.6E41 P42 C47 C48 F49 T156E41-L45 HydrophobicContact CG-CD1 4.13Å; E41-L45 WeakPolarHBondContact O-CG 3.26Å; E41-L45 PolarHBondContact O-N 2.92Å; P42-L45 PolarHBondContact O-N 2.89Å; L45-C47 VanDerWaalsContact C-N 3.34Å; L45-C47 PolarHBondContact O-N 3.42Å; L45-C48 WeakPolarHBondContact O-CB 3.4Å; L45-C48 PolarHBondContact O-N 3.41Å; L45-F49 HydrophobicContact CB-CE2 4.35Å; L45-F49 WeakPolarHBondContact O-CD2 3.48Å; L45-F49 PolarHBondContact O-N 3.45Å; L45-T156 HydrophobicContact CD1-CG2 4.45Å
46N94.3Very high90.9Very high24 Ų2480.5 Ų80.513%0.12843%0.431CS..Hα-helixtrans-60.2-42.9177-72.8-4.2000111.7N30 Y35 C38 P42 L43 F49 L50N30-N46 VanDerWaalsContact OD1-CB 3.31Å; N30-N46 WeakPolarHBondContact OD1-CB 3.34Å; N30-N46 PolarHBondContact OD1-ND2 2.93Å; Y35-N46 HydrophobicContact CD2-CB 4.12Å; Y35-N46 HydrophobicContact CE2-CB 4.3Å; C38-N46 PolarHBondContact SG-ND2 3.27Å; P42-N46 WeakPolarHBondContact O-CB 3.38Å; P42-N46 PolarHBondContact O-N 3.41Å; L43-N46 PolarHBondContact O-N 2.81Å; N46-F49 PolarHBondContact O-N 2.93Å; N46-L50 VanDerWaalsContact O-CG 3.3Å; N46-L50 WeakPolarHBondContact O-CG 3.48Å; N46-L50 PolarHBondContact O-N 3.42Å
47C94Very high91Very high2 Ų283 Ų831%0.01443%0.432CS..Hα-helixtrans-62.2-45.6173.4-69.10000112.1L17 P18 L43 L44 L45 F49 L50 L51L17-C47 HydrophobicContact CD2-CB 4.34Å; P18-C47 HydrophobicContact CG-CB 4.44Å; L43-C47 WeakPolarHBondContact O-CB 3.43Å; L43-C47 PolarHBondContact O-N 3.47Å; L43-C47 PolarHBondContact O-SG 2.75Å; L44-C47 PolarHBondContact O-N 3.48Å; L45-C47 VanDerWaalsContact C-N 3.34Å; L45-C47 PolarHBondContact O-N 3.42Å; C47-F49 PolarHBondContact O-N 3.41Å; C47-L50 PolarHBondContact O-N 3.48Å; C47-L51 WeakPolarHBondContact O-CG 3.21Å; C47-L51 PolarHBondContact O-N 2.94Å
48C95.1Very high91.3Very high46 Ų4682.5 Ų82.531%0.31144%0.436SS..Hα-helixtrans-56.4-47.1175-73.60000112L17 L44 L45 L50 L51 C52L17-C48 VanDerWaalsContact CD2-SG 3.51Å; L44-C48 WeakPolarHBondContact O-CB 3.35Å; L44-C48 PolarHBondContact O-N 2.93Å; L44-C48 PolarHBondContact O-SG 2.82Å; L45-C48 WeakPolarHBondContact O-CB 3.4Å; L45-C48 PolarHBondContact O-N 3.41Å; C48-L50 VanDerWaalsContact C-N 3.34Å; C48-L50 PolarHBondContact O-N 2.95Å; C48-L51 PolarHBondContact O-N 3.48Å; C48-C52 WeakPolarHBondContact O-CB 3.38Å; C48-C52 PolarHBondContact O-N 3.48Å; C48-C52 PolarHBondContact O-SG 3.3Å
49F94.3Very high91.5Very high102 Ų10284.2 Ų84.245%0.44744%0.443SS..Hα-helixtrans-63.3-37.6177.7-73-59.2000112.6L45 N46 C47 C52 R53L45-F49 HydrophobicContact CB-CE2 4.35Å; L45-F49 WeakPolarHBondContact O-CD2 3.48Å; L45-F49 PolarHBondContact O-N 3.45Å; N46-F49 PolarHBondContact O-N 2.93Å; C47-F49 PolarHBondContact O-N 3.41Å; F49-C52 PolarHBondContact O-N 2.83Å; F49-R53 WeakPolarHBondContact O-CB 3.42Å; F49-R53 PolarHBondContact O-N 2.7Å
50L93.1Very high91.8Very high38 Ų3881.8 Ų81.820%0.19943%0.43CS..Hα-helixtrans-67.1-38.6175.9-72.1168.2000112.7I29 A33 Y35 N46 C47 C48 R53 G54I29-L50 HydrophobicContact CG2-CD1 3.86Å; A33-L50 HydrophobicContact CB-CD1 3.61Å; A33-L50 HydrophobicContact CB-CD2 3.69Å; A33-L50 HydrophobicContact CB-CG 4.27Å; Y35-L50 HydrophobicContact CD2-CD1 4.29Å; Y35-L50 HydrophobicContact CE2-CD1 4Å; Y35-L50 HydrophobicContact CE2-CD2 4.07Å; Y35-L50 HydrophobicContact CE2-CG 3.98Å; N46-L50 VanDerWaalsContact O-CG 3.3Å; N46-L50 WeakPolarHBondContact O-CG 3.48Å; N46-L50 PolarHBondContact O-N 3.42Å; C47-L50 PolarHBondContact O-N 3.48Å; C48-L50 VanDerWaalsContact C-N 3.34Å; C48-L50 PolarHBondContact O-N 2.95Å; L50-R53 PolarHBondContact O-N 3.28Å; L50-G54 PolarHBondContact O-N 3.43Å
51L93.8Very high91.9Very high77 Ų7774.4 Ų74.440%0.40341%0.405SS..Hα-helixtrans-66.5-45.8173.8-65.1-178.1000111.6G15 L17 C47 C48 R53 G54G15-L51 VanDerWaalsContact CA-CD2 3.42Å; L17-L51 HydrophobicContact CD2-CD1 3.62Å; L17-L51 HydrophobicContact CG-CD1 3.89Å; C47-L51 WeakPolarHBondContact O-CG 3.21Å; C47-L51 PolarHBondContact O-N 2.94Å; C48-L51 PolarHBondContact O-N 3.48Å; L51-R53 PolarHBondContact O-N 3.13Å; L51-G54 PolarHBondContact O-N 2.9Å
52C93.8Very high92Very high117 Ų11767.8 Ų67.879%0.79137%0.374SS*.Hα-helixtrans-62-25.1175-68.70000113.2C48 F49 G54C48-C52 WeakPolarHBondContact O-CB 3.38Å; C48-C52 PolarHBondContact O-N 3.48Å; C48-C52 PolarHBondContact O-SG 3.3Å; F49-C52 PolarHBondContact O-N 2.83Å; C52-G54 VanDerWaalsContact C-N 3.34Å
53R92.3Very high92.1Very high215 Ų21565.2 Ų65.281%0.81136%0.358SS*.THydrogen-bonded Turntrans-77.8-14.8173.5-173.1171.8179.2129.35.2113.5F49 L50 L51 G55F49-R53 WeakPolarHBondContact O-CB 3.42Å; F49-R53 PolarHBondContact O-N 2.7Å; L50-R53 PolarHBondContact O-N 3.28Å; L51-R53 PolarHBondContact O-N 3.13Å; R53-G55 VanDerWaalsContact C-N 3.28Å; R53-G55 PolarHBondContact O-N 3.08Å
54G88Confident92Very high56 Ų5665.2 Ų65.258%0.57736%0.358SS*.THydrogen-bonded Turntrans66.821.9175.600000115.3L50 L51 C52 I56L50-G54 PolarHBondContact O-N 3.43Å; L51-G54 PolarHBondContact O-N 2.9Å; C52-G54 VanDerWaalsContact C-N 3.34Å; G54-I56 PolarHBondContact O-N 3.26Å
55G87.6Confident91.8Very high68 Ų6862.9 Ų62.970%0.70135%0.346SS*.  trans-74.4114-177.900000112.7R53R53-G55 VanDerWaalsContact C-N 3.28Å; R53-G55 PolarHBondContact O-N 3.08Å
56I90.5Very high91.6Very high126 Ų12659.9 Ų59.965%0.64633%0.33SS*.  trans-94.2141.7178-56.3170.2000110.1P13 G54P13-I56 HydrophobicContact CB-CD1 4.25Å; P13-I56 HydrophobicContact CB-CG1 4.21Å; P13-I56 HydrophobicContact CG-CD1 3.69Å; P13-I56 HydrophobicContact CG-CG1 4.2Å; G54-I56 PolarHBondContact O-N 3.26Å
57R88.9Confident90.9Very high163 Ų16359.6 Ų59.662%0.61533%0.33SS*.  trans-136.7149.4166.4-67.6-171.1-178-139.78.3109.9Y32 F563Y32-R57 PolarHBondContact O-NH2 3.18Å; R57-F563 HydrophobicContact CB-CD2 4.5Å
58P90.4Very high89.8Confident84 Ų8462.1 Ų62.155%0.54535%0.347SS..  trans-62.9156.716829-35.1000110.9F563 D564P58-F563 VanDerWaalsContact O-CB 3.26Å; P58-F563 WeakPolarHBondContact O-CB 3.28Å; P58-D564 HydrophobicContact CB-CB 4.41Å; P58-D564 HydrophobicContact CG-CB 3.92Å
59L90.4Very high88.2Confident59 Ų5963.4 Ų63.431%0.30936%0.356SS..  trans-142.9117.3176.9-175.168.4000108.8F563L59-F563 CarbonylContact C-O 3.6Å; L59-F563 WeakPolarHBondContact CA-O 3.45Å; L59-F563 HydrophobicContact CD1-CB 4Å; L59-F563 HydrophobicContact CD1-CD1 3.41Å; L59-F563 VanDerWaalsContact CD1-CD1 3.41Å; L59-F563 HydrophobicContact CD1-CE1 4.17Å; L59-F563 HydrophobicContact CD1-CG 4.06Å
60D90.7Very high86.5Confident24 Ų2464 Ų6413%0.12837%0.37CS..  trans-67144.9173.4-84.4-36.9000110.5F563 D564 G566 V637D60-F563 PolarHBondContact N-O 3.11Å; D60-D564 WeakPolarHBondContact OD2-CA 3.42Å; D60-G566 WeakPolarHBondContact OD2-CA 3.24Å; D60-G566 PolarHBondContact OD2-N 2.81Å; D60-V637 HydrophobicContact CB-CG1 4.07Å
61L91.3Very high84.6Confident40 Ų4065.4 Ų65.421%0.20938%0.383CS..EExtended strand (participates in β ladder)trans-121.5142.7176.5-66.2179000110I10 F85 R638 I640I10-L61 HydrophobicContact CD1-CD1 4.13Å; L61-F85 HydrophobicContact CD2-CB 3.77Å; L61-R638 PolarHBondContact O-N 2.99Å; L61-I640 HydrophobicContact CD1-CD1 4.49Å
62V91.9Very high82.8Confident2 Ų271.8 Ų71.81%0.01241%0.408CS..EExtended strand (participates in β ladder)trans-101.7125.9178.7-178.50000110I64 F83 S84 Y547 I568 A635 Q636 V637V62-I64 HydrophobicContact CG1-CG1 4.08Å; V62-F83 WeakPolarHBondContact O-CA 3.32Å; V62-S84 PolarHBondContact N-O 2.84Å; V62-S84 PolarHBondContact O-N 2.88Å; V62-S84 VanDerWaalsContact O-N 3.09Å; V62-Y547 HydrophobicContact CB-CD2 4.12Å; V62-Y547 HydrophobicContact CB-CE1 4.22Å; V62-Y547 HydrophobicContact CB-CE2 3.58Å; V62-Y547 HydrophobicContact CG1-CE1 4.28Å; V62-Y547 HydrophobicContact CG1-CE2 4.21Å; V62-Y547 HydrophobicContact CG2-CD1 3.64Å; V62-Y547 HydrophobicContact CG2-CD2 3.6Å; V62-Y547 HydrophobicContact CG2-CE1 3.59Å; V62-Y547 HydrophobicContact CG2-CE2 3.5Å; V62-Y547 VanDerWaalsContact CG2-CE2 3.5Å; V62-Y547 HydrophobicContact CG2-CG 3.68Å; V62-I568 HydrophobicContact CG1-CD1 4.11Å; V62-I568 HydrophobicContact CG2-CD1 4.42Å; V62-I568 HydrophobicContact CG2-CG1 4.37Å; V62-A635 HydrophobicContact CG1-CB 3.8Å; V62-Q636 WeakPolarHBondContact CA-O 3.49Å; V62-Q636 WeakPolarHBondContact CG1-O 3.46Å; V62-V637 HydrophobicContact CG2-CG2 4.25Å
63S91.8Very high80.8Confident0 Ų072.3 Ų72.30%040%0.403CS..EExtended strand (participates in β ladder)trans-79.3117.1170-168.30000107.7R81 D518 A635 Q636S63-R81 WeakPolarHBondContact OG-CD 3.32Å; S63-R81 PolarHBondContact OG-NE 2.93Å; S63-D518 WeakPolarHBondContact CB-OD1 3.41Å; S63-D518 VanDerWaalsContact OG-CG 3.23Å; S63-D518 PolarHBondContact OG-OD1 3.28Å; S63-D518 PolarHBondContact OG-OD2 2.87Å; S63-D518 VanDerWaalsContact OG-OD2 3.08Å; S63-A635 CarbonylContact O-C 3.6Å; S63-A635 VanDerWaalsContact O-CA 3.26Å; S63-A635 WeakPolarHBondContact O-CA 3.33Å; S63-Q636 PolarHBondContact N-O 3.24Å; S63-Q636 PolarHBondContact O-N 3.42Å
64I92.1Very high78.9Confident0 Ų068.5 Ų68.50%041%0.409CS..EExtended strand (participates in β ladder)trans-112.9133.4179.1-62.5170.9000107.9V62 T66 R81 L82 S84 V88 V623 L633 Q634 A635V62-I64 HydrophobicContact CG1-CG1 4.08Å; I64-T66 HydrophobicContact CG2-CG2 3.93Å; I64-R81 CarbonylContact O-C 3.09Å; I64-R81 VanDerWaalsContact O-CA 3.28Å; I64-R81 WeakPolarHBondContact O-CA 3.49Å; I64-L82 HydrophobicContact CB-CB 4.38Å; I64-L82 PolarHBondContact N-O 3.08Å; I64-L82 PolarHBondContact O-N 2.86Å; I64-S84 VanDerWaalsContact CD1-CB 3.4Å; I64-V88 HydrophobicContact CD1-CG2 3.35Å; I64-V88 HydrophobicContact CG1-CG2 4.28Å; I64-V623 HydrophobicContact CD1-CG1 3.5Å; I64-V623 VanDerWaalsContact CD1-CG1 3.5Å; I64-V623 HydrophobicContact CD1-CG2 4.23Å; I64-L633 HydrophobicContact CG2-CD1 3.87Å; I64-L633 HydrophobicContact CG2-CD2 4.09Å; I64-L633 HydrophobicContact CG2-CG 3.81Å; I64-Q634 CarbonylContact C-O 3.49Å; I64-Q634 WeakPolarHBondContact CA-O 3.48Å; I64-A635 HydrophobicContact CG1-CB 4.01Å
65T90.6Very high77.4Confident12 Ų1276.3 Ų76.37%0.07442%0.421CS..EExtended strand (participates in β ladder)trans-119.5120.8169.9-52.70000109.3P79 R80 L524 Q634T65-P79 HydrophobicContact CG2-CB 3.98Å; T65-R80 WeakPolarHBondContact CA-O 3.42Å; T65-L524 HydrophobicContact CG2-CD1 3.46Å; T65-L524 VanDerWaalsContact CG2-CD1 3.46Å; T65-Q634 PolarHBondContact N-O 3.01Å; T65-Q634 PolarHBondContact O-N 3.25Å
66T88.3Confident75.8Confident3 Ų380 Ų802%0.01843%0.43CS..EExtended strand (participates in β ladder)trans-104.8148.8-178.961.70000111.8I64 P79 R80 L82 L633I64-T66 HydrophobicContact CG2-CG2 3.93Å; T66-P79 CarbonylContact O-C 3.53Å; T66-P79 VanDerWaalsContact O-CA 3.3Å; T66-P79 WeakPolarHBondContact O-CA 3.24Å; T66-P79 WeakPolarHBondContact O-CB 3.47Å; T66-R80 PolarHBondContact N-O 3.48Å; T66-R80 PolarHBondContact O-N 3.37Å; T66-R80 VanDerWaalsContact O-N 3.08Å; T66-R80 PolarHBondContact OG1-O 3.09Å; T66-L82 HydrophobicContact CG2-CD1 4.21Å; T66-L633 HydrophobicContact CG2-CD1 3.92Å; T66-L633 HydrophobicContact CG2-CG 4.22Å
67S81Confident74.5Confident17 Ų1776.4 Ų76.412%0.11942%0.419CS..PPolyproline II helixtrans-57.3144.4171570000111.6G631 P632S67-G631 WeakPolarHBondContact OG-CA 3.3Å; S67-P632 WeakPolarHBondContact CB-O 3.28Å; S67-P632 PolarHBondContact N-O 2.88Å; S67-P632 PolarHBondContact OG-O 2.97Å
68P70.2Confident73.5Confident56 Ų5672.5 Ų72.536%0.36442%0.421SS..PPolyproline II helixtrans-58.1141.8177.623.6-33.5000112.4A77P68-A77 HydrophobicContact CB-CB 3.8Å; P68-A77 WeakPolarHBondContact CB-O 3.05Å; P68-A77 WeakPolarHBondContact CG-O 3.18Å
69S61.6Low72.8Confident73 Ų7371.5 Ų71.551%0.5142%0.415SS..PPolyproline II helixtrans-63.3138.2173.2-1730000110.6S71S69-S71 PolarHBondContact O-N 2.79Å
70P59.4Low72.4Confident115 Ų11575.6 Ų75.675%0.74743%0.426SS*.  trans-66.393.4179.926.6-34.7000111.3K72P70-K72 PolarHBondContact O-N 3.27Å
71S53.2Low72.2Confident66 Ų6678.4 Ų78.446%0.46244%0.435SS..  trans-66.4126.6175.7174.30000110.6S69 N73S69-S71 PolarHBondContact O-N 2.79Å; S71-N73 WeakPolarHBondContact CB-O 3.14Å; S71-N73 PolarHBondContact O-N 3.31Å; S71-N73 PolarHBondContact OG-N 2.88Å; S71-N73 PolarHBondContact OG-O 2.88Å
72K55.2Low72.1Confident212 Ų21277.9 Ų77.992%0.92243%0.433SS*.SBendtrans-65.5-16.2172.2-67.2-172.2176.7-175.30113.3P70P70-K72 PolarHBondContact O-N 3.27Å
73N52Low72.1Confident128 Ų12880.6 Ų80.668%0.68444%0.444SS*.SBendtrans-102.9135.2173.3-61.7-10.9000108.6S71 R75S71-N73 WeakPolarHBondContact CB-O 3.14Å; S71-N73 PolarHBondContact O-N 3.31Å; S71-N73 PolarHBondContact OG-N 2.88Å; S71-N73 PolarHBondContact OG-O 2.88Å; N73-R75 PolarHBondContact O-N 3.11Å
74S51.7Low72.2Confident135 Ų13580.6 Ų80.694%0.94444%0.444SS*.SBendtrans-66.923.9-163.153.40000118.1
75R57.2Low72.2Confident220 Ų22084.2 Ų84.283%0.8346%0.46SS*.  trans-88.7119.2166.5-67.2-177.3180174.60109.3N73 A77N73-R75 PolarHBondContact O-N 3.11Å; R75-A77 PolarHBondContact O-N 3.19Å; R75-A77 VanDerWaalsContact O-N 3.09Å
76T54.6Low72.4Confident145 Ų14584.6 Ų84.689%0.8946%0.461SS*.  trans-58.1110161.134.20000108.6
77A62.2Low72.7Confident50 Ų5084.6 Ų84.641%0.41346%0.462SS..PPolyproline II helixtrans-69152171.400000109.5P68 R75P68-A77 HydrophobicContact CB-CB 3.8Å; P68-A77 WeakPolarHBondContact CB-O 3.05Å; P68-A77 WeakPolarHBondContact CG-O 3.18Å; R75-A77 PolarHBondContact O-N 3.19Å; R75-A77 VanDerWaalsContact O-N 3.09Å
78A67.8Low73.4Confident81 Ų8184 Ų8467%0.66946%0.457SS*.PPolyproline II helixtrans-70.5149.4172.100000110.6R80A78-R80 PolarHBondContact O-N 3.22Å
79P75.9Confident74.7Confident63 Ų6381.4 Ų81.441%0.40944%0.44SS..PPolyproline II helixtrans-58.8137.8169.426.5-34.5000110.1T65 T66T65-P79 HydrophobicContact CG2-CB 3.98Å; T66-P79 CarbonylContact O-C 3.53Å; T66-P79 VanDerWaalsContact O-CA 3.3Å; T66-P79 WeakPolarHBondContact O-CA 3.24Å; T66-P79 WeakPolarHBondContact O-CB 3.47Å
80R82.1Confident76.4Confident145 Ų14578 Ų7855%0.54742%0.416SS..EExtended strand (participates in β ladder)trans-95.3123.6-175.7-174.5174.3-178.8-165.1-2.7110.1E2 T65 T66 A78 L82E2-R80 IonicContact OE1-NH2 2.95Å; E2-R80 PolarHBondContact OE1-NH2 2.98Å; T65-R80 WeakPolarHBondContact CA-O 3.42Å; T66-R80 PolarHBondContact N-O 3.48Å; T66-R80 PolarHBondContact O-N 3.37Å; T66-R80 VanDerWaalsContact O-N 3.08Å; T66-R80 PolarHBondContact OG1-O 3.09Å; A78-R80 PolarHBondContact O-N 3.22Å; R80-L82 HydrophobicContact CG-CD2 4.11Å; R80-L82 HydrophobicContact CG-CG 4.34Å
81R85.9Confident78.1Confident84 Ų8472.5 Ų72.532%0.31738%0.381SS..EExtended strand (participates in β ladder)trans-80.5137.1164.5-168.9176.8-82.5154.1-3.2109.9S63 I64 F83 D518S63-R81 WeakPolarHBondContact OG-CD 3.32Å; S63-R81 PolarHBondContact OG-NE 2.93Å; I64-R81 CarbonylContact O-C 3.09Å; I64-R81 VanDerWaalsContact O-CA 3.28Å; I64-R81 WeakPolarHBondContact O-CA 3.49Å; R81-F83 HydrophobicContact CG-CE1 4.18Å; R81-F83 HydrophobicContact CG-CZ 3.88Å; R81-D518 IonicContact CZ-OD1 3.76Å; R81-D518 IonicContact CZ-OD2 3.11Å; R81-D518 IonicContact NE-OD1 2.69Å; R81-D518 IonicContact NE-OD2 3.56Å; R81-D518 PolarHBondContact NE-OD2 2.87Å; R81-D518 IonicContact NH2-OD1 3.66Å; R81-D518 IonicContact NH2-OD2 2.68Å; R81-D518 PolarHBondContact NH2-OD2 2.77Å
82L89.8Confident80.1Confident29 Ų2969.6 Ų69.615%0.15236%0.36CS..EExtended strand (participates in β ladder)trans-131.3163.2178.5-64.2174.9000108.3I64 T66 R80 V628I64-L82 HydrophobicContact CB-CB 4.38Å; I64-L82 PolarHBondContact N-O 3.08Å; I64-L82 PolarHBondContact O-N 2.86Å; T66-L82 HydrophobicContact CG2-CD1 4.21Å; R80-L82 HydrophobicContact CG-CD2 4.11Å; R80-L82 HydrophobicContact CG-CG 4.34Å; L82-V628 HydrophobicContact CD1-CG1 4.08Å
83F91.1Very high82Confident58 Ų5860 Ų6025%0.25432%0.319SS..EExtended strand (participates in β ladder)trans-126.8138.6171.8-58.5-69.6000109.3M1 V62 R81 V515M1-F83 HydrophobicContact CB-CD2 3.51Å; M1-F83 HydrophobicContact CB-CE2 3.27Å; M1-F83 HydrophobicContact CB-CG 4.36Å; M1-F83 HydrophobicContact CB-CZ 3.97Å; M1-F83 HydrophobicContact CG-CD1 4.49Å; M1-F83 HydrophobicContact CG-CD2 3.86Å; M1-F83 HydrophobicContact CG-CE1 4.45Å; M1-F83 HydrophobicContact CG-CE2 3.78Å; M1-F83 HydrophobicContact CG-CG 4.22Å; M1-F83 HydrophobicContact CG-CZ 4.08Å; V62-F83 WeakPolarHBondContact O-CA 3.32Å; R81-F83 HydrophobicContact CG-CE1 4.18Å; R81-F83 HydrophobicContact CG-CZ 3.88Å; F83-V515 HydrophobicContact CZ-CG1 3.85Å
84S93.6Very high84.1Confident0 Ų053.9 Ų53.90%029%0.286CS..EExtended strand (participates in β ladder)trans-139.4149-172.1157.80000110.2V62 I64 S87 Y547 D624V62-S84 PolarHBondContact N-O 2.84Å; V62-S84 PolarHBondContact O-N 2.88Å; V62-S84 VanDerWaalsContact O-N 3.09Å; I64-S84 VanDerWaalsContact CD1-CB 3.4Å; S84-S87 PolarHBondContact OG-O 2.97Å; S84-Y547 WeakPolarHBondContact OG-CE2 3.3Å; S84-D624 WeakPolarHBondContact CA-OD2 3.43Å; S84-D624 WeakPolarHBondContact CB-OD2 3.08Å; S84-D624 PolarHBondContact OG-OD1 3.35Å; S84-D624 PolarHBondContact OG-OD2 3.49Å
85F92.8Very high86.2Confident77 Ų7747.6 Ų47.634%0.33824%0.242SC..SBendtrans-123.5-13.5-172.466.4-91000113.6L25 L61 Q548 D624L25-F85 HydrophobicContact CB-CD2 4.5Å; L25-F85 HydrophobicContact CB-CE2 4.07Å; L25-F85 HydrophobicContact CD2-CD2 3.8Å; L25-F85 HydrophobicContact CD2-CE2 3.75Å; L25-F85 HydrophobicContact CG-CE2 4.46Å; L61-F85 HydrophobicContact CD2-CB 3.77Å; F85-Q548 WeakPolarHBondContact O-CG 3.43Å; F85-Q548 PolarHBondContact O-NE2 2.95Å; F85-D624 WeakPolarHBondContact CD1-OD2 3.39Å; F85-D624 HydrophobicContact CE1-CB 4.34Å; F85-D624 WeakPolarHBondContact CE1-OD2 3.35Å; F85-D624 PolarHBondContact N-OD1 2.9Å; F85-D624 PolarHBondContact N-OD2 3.33Å
86L94Very high88Confident19 Ų1937.4 Ų37.410%0.09920%0.204CC..SBendtrans-114.8-62.9-175.1177.563.9000112.4A24 Y547 Q548 H550 D624A24-L86 HydrophobicContact CB-CD1 3.65Å; A24-L86 HydrophobicContact CB-CD2 3.76Å; A24-L86 HydrophobicContact CB-CG 4.35Å; L86-Y547 PolarHBondContact O-N 3.37Å; L86-Q548 HydrophobicContact CD1-CB 3.95Å; L86-Q548 HydrophobicContact CD1-CG 3.97Å; L86-H550 WeakPolarHBondContact CD1-O 3.37Å; L86-D624 WeakPolarHBondContact CA-OD1 3.41Å; L86-D624 HydrophobicContact CB-CB 4.38Å; L86-D624 VanDerWaalsContact CB-OD1 3.3Å; L86-D624 WeakPolarHBondContact CB-OD1 3.38Å; L86-D624 PolarHBondContact N-OD1 2.66Å
87S95.2Very high89.8Confident3 Ų331.6 Ų31.62%0.02117%0.168CC..EExtended strand (participates in β ladder)trans-163.4162.3-166.963.30000116S84 A545 V623 D624S84-S87 PolarHBondContact OG-O 2.97Å; S87-A545 CarbonylContact C-O 3.53Å; S87-A545 WeakPolarHBondContact CA-O 3.44Å; S87-A545 VanDerWaalsContact CB-O 3.3Å; S87-A545 WeakPolarHBondContact CB-O 3.4Å; S87-V623 WeakPolarHBondContact O-CA 3.42Å; S87-D624 PolarHBondContact N-OD1 2.8Å; S87-D624 PolarHBondContact O-N 3.19Å
88V96.8Very high91.3Very high5 Ų531.9 Ų31.93%0.0316%0.162CC..EExtended strand (participates in β ladder)trans-128.2130.4158.5178.10000108.3I64 A545 Y547 F610 L621 T622 V623 L633I64-V88 HydrophobicContact CD1-CG2 3.35Å; I64-V88 HydrophobicContact CG1-CG2 4.28Å; V88-A545 HydrophobicContact CB-CB 4.3Å; V88-A545 PolarHBondContact N-O 3.13Å; V88-A545 PolarHBondContact O-N 3.23Å; V88-Y547 WeakPolarHBondContact CG2-OH 3.38Å; V88-F610 HydrophobicContact CB-CZ 4.08Å; V88-F610 HydrophobicContact CG1-CZ 4.25Å; V88-F610 HydrophobicContact CG2-CZ 4.38Å; V88-L621 HydrophobicContact CG1-CD1 4.35Å; V88-T622 WeakPolarHBondContact CA-O 3.44Å; V88-V623 HydrophobicContact CG2-CG1 4.48Å; V88-V623 HydrophobicContact CG2-CG2 4.17Å; V88-L633 HydrophobicContact CG1-CD1 3.84Å; V88-L633 HydrophobicContact CG1-CD2 4.11Å
89A96.6Very high92.5Very high1 Ų130.6 Ų30.61%0.00814%0.142CC..EExtended strand (participates in β ladder)trans-129.3141.9-179.500000112.2V93 V543 L544 L621 T622A89-V93 HydrophobicContact CB-CB 3.98Å; A89-V93 HydrophobicContact CB-CG1 3.83Å; A89-V543 WeakPolarHBondContact CA-O 3.25Å; A89-L544 HydrophobicContact CB-CD1 4Å; A89-L621 CarbonylContact O-C 3.48Å; A89-L621 WeakPolarHBondContact O-CA 3.37Å; A89-T622 PolarHBondContact N-O 3.19Å; A89-T622 PolarHBondContact O-N 3.48Å
90W96.8Very high93.4Very high1 Ų127.7 Ų27.70%0.00412%0.123CC..EExtended strand (participates in β ladder)trans-136140.8177.3177.965.2000110S94 Y125 F540 L542 V543 L612 P614 T620 L621 Y630W90-S94 WeakPolarHBondContact CA-OG 3.49Å; W90-Y125 WeakPolarHBondContact CH2-O 3.3Å; W90-F540 HydrophobicContact CH2-CD2 4.31Å; W90-F540 HydrophobicContact CZ3-CB 3.83Å; W90-F540 AromaticContact CZ3-CD2 3.88Å; W90-F540 HydrophobicContact CZ3-CD2 3.88Å; W90-F540 HydrophobicContact CZ3-CG 4.04Å; W90-L542 WeakPolarHBondContact O-CA 3.32Å; W90-V543 HydrophobicContact CE3-CB 3.97Å; W90-V543 HydrophobicContact CE3-CG2 3.63Å; W90-V543 HydrophobicContact CZ3-CG2 3.93Å; W90-V543 PolarHBondContact N-O 2.99Å; W90-V543 PolarHBondContact O-N 3.18Å; W90-L612 HydrophobicContact CB-CD2 3.58Å; W90-L612 HydrophobicContact CD2-CD1 4.21Å; W90-L612 HydrophobicContact CD2-CD2 3.91Å; W90-L612 HydrophobicContact CE3-CD1 3.79Å; W90-L612 HydrophobicContact CE3-CD2 4.15Å; W90-L612 HydrophobicContact CG-CD2 3.69Å; W90-L612 HydrophobicContact CZ3-CD1 4Å; W90-P614 HydrophobicContact CZ2-CB 3.87Å; W90-P614 HydrophobicContact CZ2-CG 4.42Å; W90-T620 VanDerWaalsContact CD1-O 3.25Å; W90-L621 HydrophobicContact CB-CD1 3.8Å; W90-L621 HydrophobicContact CG-CD1 4.23Å; W90-Y630 AromaticContact NE1-CE2 3.52Å
91G95.4Very high93.8Very high0 Ų024 Ų240%011%0.112CC..EExtended strand (participates in β ladder)trans75.8-132.6-175.700000112.9V93 S94 D95 Y125 T620G91-V93 PolarHBondContact O-N 2.81Å; G91-V93 VanDerWaalsContact O-N 3.17Å; G91-S94 PolarHBondContact N-OG 3.11Å; G91-S94 PolarHBondContact O-N 2.89Å; G91-S94 VanDerWaalsContact O-N 3.16Å; G91-S94 PolarHBondContact O-OG 3.08Å; G91-D95 PolarHBondContact O-N 3.14Å; G91-Y125 VanDerWaalsContact CA-CD2 3.45Å; G91-T620 PolarHBondContact N-O 3.06Å
92F96.1Very high94.1Very high6 Ų629.8 Ų29.83%0.02613%0.134CC..Hα-helixtrans-47.5-49.6-167.1-175.9-82.4000115D95 V96 T115 R118 I119 L122 V541 L542 L582 F586F92-D95 WeakPolarHBondContact O-CB 3.41Å; F92-D95 PolarHBondContact O-N 2.88Å; F92-V96 HydrophobicContact CD1-CG2 4.11Å; F92-V96 HydrophobicContact CE1-CG2 3.68Å; F92-V96 HydrophobicContact CZ-CG2 4.06Å; F92-V96 WeakPolarHBondContact O-CG2 3.34Å; F92-V96 PolarHBondContact O-N 3.4Å; F92-T115 HydrophobicContact CE1-CG2 4.1Å; F92-T115 HydrophobicContact CZ-CG2 3.96Å; F92-R118 HydrophobicContact CD2-CB 4.06Å; F92-R118 HydrophobicContact CE2-CB 3.47Å; F92-R118 VanDerWaalsContact CE2-CB 3.47Å; F92-R118 HydrophobicContact CZ-CB 3.81Å; F92-I119 HydrophobicContact CE2-CG1 3.86Å; F92-I119 HydrophobicContact CZ-CD1 4.41Å; F92-I119 HydrophobicContact CZ-CG1 3.76Å; F92-L122 HydrophobicContact CD2-CD1 3.65Å; F92-L122 HydrophobicContact CE2-CD1 3.88Å; F92-V541 HydrophobicContact CB-CG1 4.07Å; F92-V541 WeakPolarHBondContact CB-O 3.44Å; F92-V541 HydrophobicContact CD2-CG1 4.4Å; F92-V541 PolarHBondContact N-O 3.29Å; F92-L542 HydrophobicContact CB-CB 3.92Å; F92-L542 HydrophobicContact CB-CD2 4.16Å; F92-L582 HydrophobicContact CD2-CD2 4.29Å; F92-L582 HydrophobicContact CE2-CD2 4.14Å; F92-F586 HydrophobicContact CD1-CE2 4.05Å; F92-F586 AromaticContact CD1-CZ 3.67Å; F92-F586 HydrophobicContact CD1-CZ 3.67Å; F92-F586 HydrophobicContact CE1-CE1 4.44Å; F92-F586 AromaticContact CE1-CE2 3.46Å; F92-F586 HydrophobicContact CE1-CE2 3.46Å; F92-F586 VanDerWaalsContact CE1-CE2 3.46Å; F92-F586 AromaticContact CE1-CZ 3.39Å; F92-F586 HydrophobicContact CE1-CZ 3.39Å; F92-F586 AromaticContact CZ-CE2 3.84Å; F92-F586 HydrophobicContact CZ-CE2 3.84Å; F92-F586 HydrophobicContact CZ-CZ 4.24Å
93V95.1Very high94.1Very high10 Ų1033.8 Ų33.86%0.06115%0.147CC..Hα-helixtrans-65.5-48.7-175.7174.30000110.3A89 G91 D95 V96 D97 L542 L551A89-V93 HydrophobicContact CB-CB 3.98Å; A89-V93 HydrophobicContact CB-CG1 3.83Å; G91-V93 PolarHBondContact O-N 2.81Å; G91-V93 VanDerWaalsContact O-N 3.17Å; V93-D95 VanDerWaalsContact C-N 3.28Å; V93-D95 PolarHBondContact O-N 3.12Å; V93-V96 WeakPolarHBondContact O-CB 3.21Å; V93-V96 PolarHBondContact O-N 2.81Å; V93-D97 PolarHBondContact O-N 2.93Å; V93-L542 HydrophobicContact CG2-CD2 4.37Å; V93-L551 HydrophobicContact CG1-CD1 4.39Å; V93-L551 HydrophobicContact CG1-CD2 3.97Å; V93-L551 HydrophobicContact CG2-CD2 4.48Å
94S95.3Very high94.1Very high0 Ų038.3 Ų38.30%016%0.163CC..Hα-helixtrans-63.8-30.2176.3560000113.6W90 G91 I98 T620 T622W90-S94 WeakPolarHBondContact CA-OG 3.49Å; G91-S94 PolarHBondContact N-OG 3.11Å; G91-S94 PolarHBondContact O-N 2.89Å; G91-S94 VanDerWaalsContact O-N 3.16Å; G91-S94 PolarHBondContact O-OG 3.08Å; S94-I98 WeakPolarHBondContact O-CG1 3.44Å; S94-I98 PolarHBondContact O-N 3.46Å; S94-T620 WeakPolarHBondContact O-CG2 3.48Å; S94-T620 PolarHBondContact OG-O 2.65Å; S94-T620 VanDerWaalsContact OG-O 3.06Å; S94-T622 VanDerWaalsContact CB-OG1 3.3Å; S94-T622 WeakPolarHBondContact CB-OG1 3.24Å
95D95.4Very high93.9Very high2 Ų242.5 Ų42.51%0.01121%0.206CC..Hα-helixtrans-66.3-42.2170.8-75.5-12.7000111.4G91 F92 V93 E99 R118 R123 Y125 T620G91-D95 PolarHBondContact O-N 3.14Å; F92-D95 WeakPolarHBondContact O-CB 3.41Å; F92-D95 PolarHBondContact O-N 2.88Å; V93-D95 VanDerWaalsContact C-N 3.28Å; V93-D95 PolarHBondContact O-N 3.12Å; D95-E99 WeakPolarHBondContact O-CB 3.36Å; D95-E99 WeakPolarHBondContact O-CG 3.47Å; D95-E99 PolarHBondContact O-N 3.38Å; D95-R118 HydrophobicContact CB-CG 4.5Å; D95-R123 IonicContact OD1-NH1 3.64Å; D95-R123 WeakPolarHBondContact OD2-CD 3.21Å; D95-R123 IonicContact OD2-CZ 3.83Å; D95-R123 IonicContact OD2-NH1 2.93Å; D95-R123 PolarHBondContact OD2-NH1 2.86Å; D95-Y125 VanDerWaalsContact CG-OH 3.31Å; D95-Y125 PolarHBondContact OD1-OH 2.8Å; D95-Y125 PolarHBondContact OD2-OH 3.1Å; D95-T620 VanDerWaalsContact OD1-CB 3.31Å; D95-T620 WeakPolarHBondContact OD1-CB 3.44Å; D95-T620 PolarHBondContact OD1-OG1 2.64Å
96V94.7Very high93.7Very high6 Ų643.1 Ų43.14%0.03621%0.212CC..Hα-helixtrans-66-44.1176.3171.70000111F92 V93 I98 S100 F111 R118F92-V96 HydrophobicContact CD1-CG2 4.11Å; F92-V96 HydrophobicContact CE1-CG2 3.68Å; F92-V96 HydrophobicContact CZ-CG2 4.06Å; F92-V96 WeakPolarHBondContact O-CG2 3.34Å; F92-V96 PolarHBondContact O-N 3.4Å; V93-V96 WeakPolarHBondContact O-CB 3.21Å; V93-V96 PolarHBondContact O-N 2.81Å; V96-I98 PolarHBondContact O-N 2.92Å; V96-S100 WeakPolarHBondContact O-CB 3.28Å; V96-S100 PolarHBondContact O-N 2.94Å; V96-S100 VanDerWaalsContact O-N 3.08Å; V96-S100 PolarHBondContact O-OG 3.06Å; V96-F111 HydrophobicContact CG1-CD1 4.42Å; V96-R118 HydrophobicContact CG2-CB 3.99Å; V96-R118 HydrophobicContact CG2-CG 3.94Å
97D92.9Very high93.4Very high24 Ų2443.7 Ų43.713%0.12822%0.222CC..Hα-helixtrans-52.9-56.1177.3-67.7-27.7000110.9V93 S100 R110 T622V93-D97 PolarHBondContact O-N 2.93Å; D97-S100 PolarHBondContact O-OG 2.83Å; D97-R110 PolarHBondContact O-NH1 2.79Å; D97-T622 HydrophobicContact CB-CG2 4.36Å; D97-T622 PolarHBondContact OD2-OG1 2.68Å
98I94.2Very high93.1Very high55 Ų5545.1 Ų45.128%0.28223%0.232SC..Hα-helixtrans-82-40.6-170.4-59.5-56.4000112.9S94 V96 S100 E101 T620 T622 L627S94-I98 WeakPolarHBondContact O-CG1 3.44Å; S94-I98 PolarHBondContact O-N 3.46Å; V96-I98 PolarHBondContact O-N 2.92Å; I98-S100 VanDerWaalsContact C-N 3.34Å; I98-E101 PolarHBondContact O-N 2.79Å; I98-T620 HydrophobicContact CB-CG2 4.18Å; I98-T620 HydrophobicContact CG1-CG2 3.71Å; I98-T622 HydrophobicContact CD1-CG2 3.83Å; I98-T622 HydrophobicContact CG1-CG2 3.71Å; I98-L627 HydrophobicContact CD1-CB 3.93Å; I98-L627 HydrophobicContact CG1-CD1 4.4Å
99E93.9Very high92.8Very high55 Ų5547 Ų4726%0.25725%0.249SC..Hα-helixtrans-71.8-29.5178.2-65.3-174.5-175.600111.9D95 E101 R102 R118 R123D95-E99 WeakPolarHBondContact O-CB 3.36Å; D95-E99 WeakPolarHBondContact O-CG 3.47Å; D95-E99 PolarHBondContact O-N 3.38Å; E99-E101 VanDerWaalsContact C-N 3.27Å; E99-E101 PolarHBondContact O-N 2.92Å; E99-R102 WeakPolarHBondContact O-CG 3.41Å; E99-R102 PolarHBondContact O-N 2.94Å; E99-R118 IonicContact OE1-CZ 3.82Å; E99-R118 IonicContact OE1-NE 3.43Å; E99-R118 IonicContact OE1-NH2 3.27Å; E99-R118 PolarHBondContact OE1-NH2 2.82Å; E99-R118 IonicContact OE2-CZ 3.23Å; E99-R118 IonicContact OE2-NE 2.8Å; E99-R118 PolarHBondContact OE2-NE 3.33Å; E99-R118 IonicContact OE2-NH2 3.52Å; E99-R118 PolarHBondContact OE2-NH2 2.82Å; E99-R123 IonicContact OE1-CZ 3.48Å; E99-R123 VanDerWaalsContact OE1-CZ 3.29Å; E99-R123 IonicContact OE1-NH1 3.78Å; E99-R123 PolarHBondContact OE1-NH1 3.01Å; E99-R123 IonicContact OE1-NH2 3.78Å; E99-R123 PolarHBondContact OE1-NH2 3.45Å
100S93.4Very high92.6Very high1 Ų147.6 Ų47.61%0.00725%0.251CS..G310 helixtrans-73.6-12.6178.473.40000114.5V96 D97 I98 R102 Y103 R110V96-S100 WeakPolarHBondContact O-CB 3.28Å; V96-S100 PolarHBondContact O-N 2.94Å; V96-S100 VanDerWaalsContact O-N 3.08Å; V96-S100 PolarHBondContact O-OG 3.06Å; D97-S100 PolarHBondContact O-OG 2.83Å; I98-S100 VanDerWaalsContact C-N 3.34Å; S100-R102 PolarHBondContact O-N 3.19Å; S100-Y103 CarbonylContact O-C 3.54Å; S100-Y103 WeakPolarHBondContact O-CA 3.22Å; S100-Y103 PolarHBondContact O-N 3.33Å; S100-R110 WeakPolarHBondContact CB-O 3.45Å; S100-R110 PolarHBondContact OG-NH1 3.24Å
101E91.8Very high92.4Very high67 Ų6749.7 Ų49.731%0.31326%0.26SS..G310 helixtrans-60.2-25.2172.6-73.3-61.3163.100112.8I98 E99 Y103 R104 R110I98-E101 PolarHBondContact O-N 2.79Å; E99-E101 VanDerWaalsContact C-N 3.27Å; E99-E101 PolarHBondContact O-N 2.92Å; E101-Y103 PolarHBondContact O-N 2.92Å; E101-Y103 VanDerWaalsContact O-N 3.08Å; E101-R104 WeakPolarHBondContact O-CB 3.32Å; E101-R104 PolarHBondContact O-N 2.83Å; E101-R104 VanDerWaalsContact O-N 3.09Å; E101-R104 IonicContact OE1-NH1 3.14Å; E101-R104 PolarHBondContact OE1-NH1 3.46Å; E101-R104 VanDerWaalsContact OE2-CD 3.24Å; E101-R104 WeakPolarHBondContact OE2-CD 3.38Å; E101-R104 WeakPolarHBondContact OE2-CG 3.38Å; E101-R104 IonicContact OE2-CZ 3.13Å; E101-R104 IonicContact OE2-NE 3.77Å; E101-R104 IonicContact OE2-NH1 2.82Å; E101-R104 PolarHBondContact OE2-NH1 3.03Å; E101-R110 IonicContact OE1-CZ 3.31Å; E101-R110 IonicContact OE1-NH1 2.64Å; E101-R110 PolarHBondContact OE1-NH1 2.95Å; E101-R110 IonicContact OE1-NH2 3.86Å; E101-R110 PolarHBondContact OE1-NH2 2.92Å; E101-R110 IonicContact OE2-NH1 2.68Å; E101-R110 IonicContact OE2-NH2 2.79Å
102R90.9Very high92.3Very high207 Ų20753.5 Ų53.578%0.78128%0.283SS*.G310 helixtrans-57.7-22.4170-61.7179-177.8-161.10.7112.9E99 S100E99-R102 WeakPolarHBondContact O-CG 3.41Å; E99-R102 PolarHBondContact O-N 2.94Å; S100-R102 PolarHBondContact O-N 3.19Å
103Y90.7Very high92.1Very high112 Ų11256.4 Ų56.444%0.43930%0.299SS..G310 helixtrans-115.424.4-179.6-46.9-70.9000112.3S100 E101 G105 L106 L113S100-Y103 CarbonylContact O-C 3.54Å; S100-Y103 WeakPolarHBondContact O-CA 3.22Å; S100-Y103 PolarHBondContact O-N 3.33Å; E101-Y103 PolarHBondContact O-N 2.92Å; E101-Y103 VanDerWaalsContact O-N 3.08Å; Y103-G105 PolarHBondContact O-N 3.45Å; Y103-L106 WeakPolarHBondContact O-CB 3.47Å; Y103-L106 PolarHBondContact O-N 2.77Å; Y103-L113 HydrophobicContact CD2-CD2 4.49Å; Y103-L113 HydrophobicContact CG-CD2 4.43Å
104R90.1Very high92.1Very high154 Ų15456.3 Ų56.358%0.58130%0.3SS*.G310 helixtrans-51.6-27.8-178.2-164.7179.7-175.999-6.4114E101 L106 G107E101-R104 WeakPolarHBondContact O-CB 3.32Å; E101-R104 PolarHBondContact O-N 2.83Å; E101-R104 VanDerWaalsContact O-N 3.09Å; E101-R104 IonicContact OE1-NH1 3.14Å; E101-R104 PolarHBondContact OE1-NH1 3.46Å; E101-R104 VanDerWaalsContact OE2-CD 3.24Å; E101-R104 WeakPolarHBondContact OE2-CD 3.38Å; E101-R104 WeakPolarHBondContact OE2-CG 3.38Å; E101-R104 IonicContact OE2-CZ 3.13Å; E101-R104 IonicContact OE2-NE 3.77Å; E101-R104 IonicContact OE2-NH1 2.82Å; E101-R104 PolarHBondContact OE2-NH1 3.03Å; R104-L106 PolarHBondContact O-N 2.85Å; R104-G107 PolarHBondContact O-N 3.33Å
105G88.9Confident92Very high87 Ų8757.5 Ų57.590%0.89731%0.307SS*.G310 helixtrans-64.7-15.8173.600000115.8Y103 G107Y103-G105 PolarHBondContact O-N 3.45Å; G105-G107 VanDerWaalsContact C-N 3.27Å; G105-G107 PolarHBondContact O-N 2.84Å
106L88.7Confident92Very high91 Ų9161.5 Ų61.548%0.47633%0.328SS..G310 helixtrans-82.10.3174.1-59.3-177.2000113.4Y103 R104 A109 R110 L113Y103-L106 WeakPolarHBondContact O-CB 3.47Å; Y103-L106 PolarHBondContact O-N 2.77Å; R104-L106 PolarHBondContact O-N 2.85Å; L106-A109 HydrophobicContact CB-CB 4.45Å; L106-A109 PolarHBondContact O-N 3.43Å; L106-R110 HydrophobicContact CB-CB 4.49Å; L106-L113 HydrophobicContact CD1-CD2 3.82Å
107G88.9Confident92Very high30 Ų3064.6 Ų64.631%0.30935%0.347SS..THydrogen-bonded Turntrans65.7-133.5-175.900000111.6S21 R104 G105 A109 R110S21-G107 WeakPolarHBondContact CB-O 3.5Å; R104-G107 PolarHBondContact O-N 3.33Å; G105-G107 VanDerWaalsContact C-N 3.27Å; G105-G107 PolarHBondContact O-N 2.84Å; G107-A109 VanDerWaalsContact C-N 3.34Å; G107-R110 WeakPolarHBondContact O-CD 3.32Å; G107-R110 VanDerWaalsContact O-CG 3.24Å; G107-R110 WeakPolarHBondContact O-CG 3.3Å
108S88.1Confident92.1Very high33 Ų3364.7 Ų64.723%0.23135%0.346CS..THydrogen-bonded Turntrans-68.1-28.8178.356.30000113.6R110 F111S108-R110 PolarHBondContact O-N 3.06Å; S108-F111 VanDerWaalsContact O-CD2 3.32Å; S108-F111 WeakPolarHBondContact O-CD2 3.34Å; S108-F111 PolarHBondContact O-N 2.86Å
109A90.6Very high92.2Very high46 Ų4662.8 Ų62.838%0.3834%0.336SS..Hα-helixtrans-62-14.9-177.600000113.8L106 G107 F111 T112 L113L106-A109 HydrophobicContact CB-CB 4.45Å; L106-A109 PolarHBondContact O-N 3.43Å; G107-A109 VanDerWaalsContact C-N 3.34Å; A109-F111 VanDerWaalsContact C-N 3.25Å; A109-F111 PolarHBondContact O-N 3.48Å; A109-T112 PolarHBondContact O-N 2.94Å; A109-L113 WeakPolarHBondContact O-CB 3.27Å; A109-L113 PolarHBondContact O-N 3.16Å
110R92.6Very high92.1Very high12 Ų1263.1 Ų63.15%0.04535%0.348CS..Hα-helixtrans-57.3-36.8170.379-173.4-179.4109.9-24.3112.6S21 D97 S100 E101 L106 G107 S108 G114S21-R110 PolarHBondContact OG-NE 2.78Å; S21-R110 PolarHBondContact OG-NH2 2.6Å; D97-R110 PolarHBondContact O-NH1 2.79Å; S100-R110 WeakPolarHBondContact CB-O 3.45Å; S100-R110 PolarHBondContact OG-NH1 3.24Å; E101-R110 IonicContact OE1-CZ 3.31Å; E101-R110 IonicContact OE1-NH1 2.64Å; E101-R110 PolarHBondContact OE1-NH1 2.95Å; E101-R110 IonicContact OE1-NH2 3.86Å; E101-R110 PolarHBondContact OE1-NH2 2.92Å; E101-R110 IonicContact OE2-NH1 2.68Å; E101-R110 IonicContact OE2-NH2 2.79Å; L106-R110 HydrophobicContact CB-CB 4.49Å; G107-R110 WeakPolarHBondContact O-CD 3.32Å; G107-R110 VanDerWaalsContact O-CG 3.24Å; G107-R110 WeakPolarHBondContact O-CG 3.3Å; S108-R110 PolarHBondContact O-N 3.06Å; R110-G114 PolarHBondContact O-N 2.87Å
111F92.6Very high92.1Very high45 Ų4566.2 Ų66.220%0.19737%0.37CS..Hα-helixtrans-72.1-42.2-178.3-62.7-67.3000110.5V96 S108 A109 G114 T115V96-F111 HydrophobicContact CG1-CD1 4.42Å; S108-F111 VanDerWaalsContact O-CD2 3.32Å; S108-F111 WeakPolarHBondContact O-CD2 3.34Å; S108-F111 PolarHBondContact O-N 2.86Å; A109-F111 VanDerWaalsContact C-N 3.25Å; A109-F111 PolarHBondContact O-N 3.48Å; F111-G114 PolarHBondContact O-N 2.94Å; F111-T115 VanDerWaalsContact O-CB 3.24Å; F111-T115 WeakPolarHBondContact O-CB 3.3Å; F111-T115 PolarHBondContact O-N 3.17Å; F111-T115 PolarHBondContact O-OG1 3.46Å
112T93Very high92.2Very high80 Ų8065.2 Ų65.249%0.49137%0.366SS..Hα-helixtrans-60.4-48.1173.7-34.60000111.1A109 T115 L116A109-T112 PolarHBondContact O-N 2.94Å; T112-T115 PolarHBondContact O-N 2.9Å; T112-L116 WeakPolarHBondContact O-CG 3.38Å; T112-L116 PolarHBondContact O-N 3.06Å
113L93.1Very high92.4Very high68 Ų6859.6 Ų59.636%0.35635%0.345SS..Hα-helixtrans-63.8-46.8178.2-179.361.3000111.9Y103 L106 A109 T115 L116 V117Y103-L113 HydrophobicContact CD2-CD2 4.49Å; Y103-L113 HydrophobicContact CG-CD2 4.43Å; L106-L113 HydrophobicContact CD1-CD2 3.82Å; A109-L113 WeakPolarHBondContact O-CB 3.27Å; A109-L113 PolarHBondContact O-N 3.16Å; L113-T115 VanDerWaalsContact C-N 3.33Å; L113-T115 PolarHBondContact O-N 2.75Å; L113-L116 PolarHBondContact O-N 3.04Å; L113-V117 HydrophobicContact CD1-CG2 4.4Å; L113-V117 WeakPolarHBondContact O-CG2 3.16Å; L113-V117 PolarHBondContact O-N 2.9Å
114G94Very high92.6Very high8 Ų857.8 Ų57.88%0.08235%0.349CS..Hα-helixtrans-59.4-42.8176.100000112.3R110 F111 V117 R118R110-G114 PolarHBondContact O-N 2.87Å; F111-G114 PolarHBondContact O-N 2.94Å; G114-V117 PolarHBondContact O-N 2.89Å; G114-R118 WeakPolarHBondContact O-CB 3.49Å; G114-R118 WeakPolarHBondContact O-CG 3.33Å; G114-R118 PolarHBondContact O-N 3.15Å
115T94.4Very high92.8Very high25 Ų2551.2 Ų51.215%0.15332%0.324CS..Hα-helixtrans-58.9-48.6175.1-62.60000111.4F92 F111 T112 L113 R118 I119 F586F92-T115 HydrophobicContact CE1-CG2 4.1Å; F92-T115 HydrophobicContact CZ-CG2 3.96Å; F111-T115 VanDerWaalsContact O-CB 3.24Å; F111-T115 WeakPolarHBondContact O-CB 3.3Å; F111-T115 PolarHBondContact O-N 3.17Å; F111-T115 PolarHBondContact O-OG1 3.46Å; T112-T115 PolarHBondContact O-N 2.9Å; L113-T115 VanDerWaalsContact C-N 3.33Å; L113-T115 PolarHBondContact O-N 2.75Å; T115-R118 PolarHBondContact O-N 3.19Å; T115-I119 HydrophobicContact CG2-CD1 3.78Å; T115-I119 HydrophobicContact CG2-CG1 4.48Å; T115-I119 WeakPolarHBondContact O-CB 3.23Å; T115-I119 VanDerWaalsContact O-CG1 3.29Å; T115-I119 WeakPolarHBondContact O-CG1 3.39Å; T115-I119 PolarHBondContact O-N 2.8Å; T115-F586 HydrophobicContact CG2-CD2 3.97Å; T115-F586 HydrophobicContact CG2-CE2 4.2Å; T115-F586 HydrophobicContact CG2-CG 4.31Å
116L94.8Very high93.2Very high86 Ų8651.9 Ų51.945%0.4530%0.302SS..Hα-helixtrans-63.3-43.7178.7-68.4171.5000112.2T112 L113 R118 I119 A120 L583T112-L116 WeakPolarHBondContact O-CG 3.38Å; T112-L116 PolarHBondContact O-N 3.06Å; L113-L116 PolarHBondContact O-N 3.04Å; L116-R118 PolarHBondContact O-N 2.67Å; L116-I119 PolarHBondContact O-N 3.37Å; L116-A120 PolarHBondContact O-N 2.85Å; L116-A120 VanDerWaalsContact O-N 3.09Å; L116-L583 HydrophobicContact CD2-CD1 3.99Å
117V94.4Very high93.5Very high71 Ų7147.5 Ų47.543%0.4328%0.279SS..Hα-helixtrans-62.7-41.3176.1171.40000111.5L113 G114 A120 S121L113-V117 HydrophobicContact CD1-CG2 4.4Å; L113-V117 WeakPolarHBondContact O-CG2 3.16Å; L113-V117 PolarHBondContact O-N 2.9Å; G114-V117 PolarHBondContact O-N 2.89Å; V117-A120 PolarHBondContact O-N 3.33Å; V117-S121 PolarHBondContact O-N 3.27Å
118R94.7Very high93.8Very high26 Ų2650.7 Ų50.710%0.09828%0.282CS..Hα-helixtrans-74.1-26.6177.2-77.1-75138.2-120-6.3113.5F92 D95 V96 E99 G114 T115 L116 S121 L122F92-R118 HydrophobicContact CD2-CB 4.06Å; F92-R118 HydrophobicContact CE2-CB 3.47Å; F92-R118 VanDerWaalsContact CE2-CB 3.47Å; F92-R118 HydrophobicContact CZ-CB 3.81Å; D95-R118 HydrophobicContact CB-CG 4.5Å; V96-R118 HydrophobicContact CG2-CB 3.99Å; V96-R118 HydrophobicContact CG2-CG 3.94Å; E99-R118 IonicContact OE1-CZ 3.82Å; E99-R118 IonicContact OE1-NE 3.43Å; E99-R118 IonicContact OE1-NH2 3.27Å; E99-R118 PolarHBondContact OE1-NH2 2.82Å; E99-R118 IonicContact OE2-CZ 3.23Å; E99-R118 IonicContact OE2-NE 2.8Å; E99-R118 PolarHBondContact OE2-NE 3.33Å; E99-R118 IonicContact OE2-NH2 3.52Å; E99-R118 PolarHBondContact OE2-NH2 2.82Å; G114-R118 WeakPolarHBondContact O-CB 3.49Å; G114-R118 WeakPolarHBondContact O-CG 3.33Å; G114-R118 PolarHBondContact O-N 3.15Å; T115-R118 PolarHBondContact O-N 3.19Å; L116-R118 PolarHBondContact O-N 2.67Å; R118-S121 PolarHBondContact NH1-O 2.6Å; R118-S121 PolarHBondContact NH1-OG 2.79Å; R118-S121 VanDerWaalsContact NH1-OG 3.15Å; R118-S121 CarbonylContact O-C 3.52Å; R118-L122 WeakPolarHBondContact O-CA 3.38Å; R118-L122 PolarHBondContact O-N 3.28Å; R118-L122 VanDerWaalsContact O-N 3.1Å
119I95.7Very high94.2Very high14 Ų1449.1 Ų49.17%0.07227%0.271CS..Hα-helixtrans-69.7-39.2170.8-73.7167.8000110.6F92 T115 L116 R579 L582 L583 F586F92-I119 HydrophobicContact CE2-CG1 3.86Å; F92-I119 HydrophobicContact CZ-CD1 4.41Å; F92-I119 HydrophobicContact CZ-CG1 3.76Å; T115-I119 HydrophobicContact CG2-CD1 3.78Å; T115-I119 HydrophobicContact CG2-CG1 4.48Å; T115-I119 WeakPolarHBondContact O-CB 3.23Å; T115-I119 VanDerWaalsContact O-CG1 3.29Å; T115-I119 WeakPolarHBondContact O-CG1 3.39Å; T115-I119 PolarHBondContact O-N 2.8Å; L116-I119 PolarHBondContact O-N 3.37Å; I119-R579 HydrophobicContact CG2-CB 3.96Å; I119-R579 VanDerWaalsContact O-CD 3.23Å; I119-R579 WeakPolarHBondContact O-CD 3.18Å; I119-R579 WeakPolarHBondContact O-CG 3.24Å; I119-L582 HydrophobicContact CG1-CD2 4.24Å; I119-L583 HydrophobicContact CD1-CB 4.11Å; I119-L583 HydrophobicContact CD1-CD1 3.76Å; I119-F586 HydrophobicContact CD1-CD2 4.09Å; I119-F586 HydrophobicContact CD1-CE2 4.47Å
120A93.7Very high94.4Very high63 Ų6347.1 Ų47.152%0.52125%0.254SS..Hα-helixtrans-66-40.4174.300000112.2L116 V117 R579L116-A120 PolarHBondContact O-N 2.85Å; L116-A120 VanDerWaalsContact O-N 3.09Å; V117-A120 PolarHBondContact O-N 3.33Å; A120-R579 VanDerWaalsContact O-CZ 3.25Å; A120-R579 PolarHBondContact O-NH1 2.88Å; A120-R579 VanDerWaalsContact O-NH1 3.14Å
121S92.8Very high94.5Very high66 Ų6647.7 Ų47.746%0.46226%0.257SS..THydrogen-bonded Turntrans-112.164.9177.6-176.90000110.7V117 R118V117-S121 PolarHBondContact O-N 3.27Å; R118-S121 PolarHBondContact NH1-O 2.6Å; R118-S121 PolarHBondContact NH1-OG 2.79Å; R118-S121 VanDerWaalsContact NH1-OG 3.15Å; R118-S121 CarbonylContact O-C 3.52Å
122L94.1Very high94.4Very high45 Ų4546.9 Ų46.924%0.23625%0.254CS..  trans-70.4133.3-176.5-163.866.5000111.5F92 R118 V541 R579 L582F92-L122 HydrophobicContact CD2-CD1 3.65Å; F92-L122 HydrophobicContact CE2-CD1 3.88Å; R118-L122 WeakPolarHBondContact O-CA 3.38Å; R118-L122 PolarHBondContact O-N 3.28Å; R118-L122 VanDerWaalsContact O-N 3.1Å; L122-V541 HydrophobicContact CD1-CG1 3.75Å; L122-V541 HydrophobicContact CD2-CG2 4.28Å; L122-V541 HydrophobicContact CG-CG1 4.32Å; L122-R579 HydrophobicContact CD2-CG 4.42Å; L122-L582 HydrophobicContact CD1-CD2 3.53Å; L122-L582 HydrophobicContact CD2-CD2 4.27Å
123R94.1Very high94.3Very high89 Ų8945.5 Ų45.534%0.33625%0.246SC..  trans-109154.1176.6-63.1176.4-178.1141.1-4110.5D95 E99 Y125D95-R123 IonicContact OD1-NH1 3.64Å; D95-R123 WeakPolarHBondContact OD2-CD 3.21Å; D95-R123 IonicContact OD2-CZ 3.83Å; D95-R123 IonicContact OD2-NH1 2.93Å; D95-R123 PolarHBondContact OD2-NH1 2.86Å; E99-R123 IonicContact OE1-CZ 3.48Å; E99-R123 VanDerWaalsContact OE1-CZ 3.29Å; E99-R123 IonicContact OE1-NH1 3.78Å; E99-R123 PolarHBondContact OE1-NH1 3.01Å; E99-R123 IonicContact OE1-NH2 3.78Å; E99-R123 PolarHBondContact OE1-NH2 3.45Å; R123-Y125 HydrophobicContact CB-CE2 3.78Å; R123-Y125 WeakPolarHBondContact CD-OH 3.49Å
124S94.4Very high94Very high74 Ų7444.4 Ų44.452%0.51724%0.243SC..  trans-120.2151.3167.152.60000110.4F540S124-F540 CarbonylContact C-O 3.58Å; S124-F540 WeakPolarHBondContact CA-O 3.36Å
125Y95.8Very high93.1Very high16 Ų1647.7 Ų47.76%0.06327%0.265CS..EExtended strand (participates in β ladder)trans-135.3116.7-171.3-66.3-74.9000109.5W90 G91 D95 R123 F540W90-Y125 WeakPolarHBondContact CH2-O 3.3Å; G91-Y125 VanDerWaalsContact CA-CD2 3.45Å; D95-Y125 VanDerWaalsContact CG-OH 3.31Å; D95-Y125 PolarHBondContact OD1-OH 2.8Å; D95-Y125 PolarHBondContact OD2-OH 3.1Å; R123-Y125 HydrophobicContact CB-CE2 3.78Å; R123-Y125 WeakPolarHBondContact CD-OH 3.49Å; Y125-F540 PolarHBondContact N-O 3.13Å; Y125-F540 PolarHBondContact O-N 3.06Å
126K96.4Very high91.1Very high101 Ų10153 Ų5344%0.43930%0.297SS..EExtended strand (participates in β ladder)trans-75.3134.4177.3-162.9165.4-178.2170.80110.1G538 D539 L615 S616K126-G538 WeakPolarHBondContact CA-O 3.46Å; K126-D539 WeakPolarHBondContact CA-OD1 3.42Å; K126-D539 WeakPolarHBondContact CB-OD1 3.43Å; K126-D539 WeakPolarHBondContact CG-OD1 3.37Å; K126-L615 HydrophobicContact CB-CB 4.33Å; K126-L615 HydrophobicContact CG-CB 4.21Å; K126-L615 HydrophobicContact CG-CD1 4.43Å; K126-L615 CarbonylContact O-C 3.52Å; K126-L615 WeakPolarHBondContact O-CA 3.45Å; K126-L615 PolarHBondContact O-N 3.41Å; K126-S616 PolarHBondContact O-N 3.22Å; K126-S616 PolarHBondContact O-OG 3.31Å
127G95.5Very high88.6Confident0 Ų054.4 Ų54.40%031%0.309CS..EExtended strand (participates in β ladder)trans-167.6170.8-179.400000113.9E537 G538 Q613G127-E537 WeakPolarHBondContact O-CA 3.18Å; G127-G538 PolarHBondContact N-O 2.94Å; G127-G538 PolarHBondContact O-N 3.19Å; G127-G538 VanDerWaalsContact O-O 3.14Å; G127-Q613 WeakPolarHBondContact CA-O 3.49Å
128R95.5Very high85.7Confident96 Ų9655.2 Ų55.236%0.36232%0.323SS..EExtended strand (participates in β ladder)trans-118125.1170.2-176.3-175.2-65.3166.8-1.8109.1T535 E537 Q613R128-T535 HydrophobicContact CG-CG2 3.61Å; R128-E537 HydrophobicContact CB-CB 4.35Å; R128-E537 HydrophobicContact CB-CG 4.25Å; R128-E537 HydrophobicContact CG-CB 4.31Å; R128-E537 IonicContact CZ-OE2 3.14Å; R128-E537 IonicContact NE-OE2 2.75Å; R128-E537 PolarHBondContact NE-OE2 3.12Å; R128-E537 IonicContact NH2-OE2 2.69Å; R128-E537 PolarHBondContact NH2-OE2 2.79Å; R128-Q613 HydrophobicContact CB-CB 4.35Å; R128-Q613 PolarHBondContact N-O 3.06Å; R128-Q613 PolarHBondContact O-N 3.28Å
129L95.8Very high82.8Confident0 Ų059.8 Ų59.80%035%0.354CS..EExtended strand (participates in β ladder)trans-116.3114.8178.3176.760.3000108.6I536 F540 V543 L570 F572 F610 L612L129-I536 PolarHBondContact N-O 3.44Å; L129-I536 PolarHBondContact O-N 3.47Å; L129-F540 HydrophobicContact CB-CZ 4.2Å; L129-F540 HydrophobicContact CD2-CE1 4.42Å; L129-V543 HydrophobicContact CD1-CG1 4.05Å; L129-V543 HydrophobicContact CD2-CG1 3.73Å; L129-V543 HydrophobicContact CD2-CG2 3.95Å; L129-L570 HydrophobicContact CD1-CD1 4.46Å; L129-L570 HydrophobicContact CD1-CD2 4.22Å; L129-L570 HydrophobicContact CD2-CD1 4.47Å; L129-L570 HydrophobicContact CD2-CD2 4.14Å; L129-L570 HydrophobicContact CD2-CG 4.48Å; L129-L570 HydrophobicContact CG-CD2 4.38Å; L129-F572 HydrophobicContact CD2-CB 4.22Å; L129-F572 HydrophobicContact CD2-CD1 3.82Å; L129-F572 HydrophobicContact CD2-CE1 4.41Å; L129-F572 HydrophobicContact CD2-CG 4.09Å; L129-F610 HydrophobicContact CD1-CD2 4.22Å; L129-L612 HydrophobicContact CB-CD1 4.5Å; L129-L612 HydrophobicContact CD1-CD1 4.33Å
130S94.9Very high79.6Confident4 Ų465.3 Ų65.33%0.02839%0.389CS..EExtended strand (participates in β ladder)trans-112.1136.2175-590000109.6V534 T535 F610 R611S130-V534 CarbonylContact C-O 3.56Å; S130-V534 VanDerWaalsContact CA-O 3.28Å; S130-V534 WeakPolarHBondContact CA-O 3.48Å; S130-T535 WeakPolarHBondContact CB-OG1 3.35Å; S130-T535 WeakPolarHBondContact OG-CG2 3.43Å; S130-T535 PolarHBondContact OG-OG1 3.01Å; S130-F610 CarbonylContact O-C 3.55Å; S130-F610 VanDerWaalsContact O-CA 3.25Å; S130-F610 WeakPolarHBondContact O-CA 3.3Å; S130-F610 WeakPolarHBondContact O-CB 3.46Å; S130-R611 PolarHBondContact N-O 3.27Å; S130-R611 PolarHBondContact O-N 3.31Å
131Y94.3Very high77Confident25 Ų2568 Ų6810%0.09840%0.403CS..EExtended strand (participates in β ladder)trans-141.4149.7177.463.6-87.2000112.5P133 W533 V534 I536 L570 V605 C607 A609Y131-P133 HydrophobicContact CD2-CG 4.3Å; Y131-P133 HydrophobicContact CE2-CG 4.15Å; Y131-P133 WeakPolarHBondContact O-CD 3.49Å; Y131-W533 VanDerWaalsContact C-CE3 3.41Å; Y131-W533 WeakPolarHBondContact O-CA 3.02Å; Y131-V534 HydrophobicContact CD1-CB 4.41Å; Y131-V534 HydrophobicContact CD2-CB 4.42Å; Y131-V534 HydrophobicContact CE1-CB 3.94Å; Y131-V534 HydrophobicContact CE1-CG1 3.86Å; Y131-V534 HydrophobicContact CE2-CB 3.96Å; Y131-V534 HydrophobicContact CE2-CG1 4.44Å; Y131-V534 HydrophobicContact CE2-CG2 4.26Å; Y131-V534 PolarHBondContact N-O 2.96Å; Y131-V534 PolarHBondContact O-N 3.42Å; Y131-I536 HydrophobicContact CE1-CD1 3.97Å; Y131-I536 HydrophobicContact CE1-CG1 4.46Å; Y131-L570 HydrophobicContact CD1-CD2 4Å; Y131-L570 HydrophobicContact CG-CD2 3.99Å; Y131-V605 HydrophobicContact CD2-CG2 4.13Å; Y131-V605 HydrophobicContact CE1-CG2 4.23Å; Y131-V605 HydrophobicContact CE2-CB 4.18Å; Y131-V605 HydrophobicContact CE2-CG2 3.78Å; Y131-V605 HydrophobicContact CG-CG2 4.49Å; Y131-C607 HydrophobicContact CD2-CB 3.97Å; Y131-C607 HydrophobicContact CG-CB 4.36Å; Y131-A609 WeakPolarHBondContact CA-O 3.46Å
132M91.6Very high74.3Confident28 Ų2872.5 Ų72.514%0.13842%0.422CS..EExtended strand (participates in β ladder)trans-98.2108.6175.4-169.9-168-165.500109.3L520 D532 W533 C607 K608 A609M132-L520 HydrophobicContact SD-CD1 4.48Å; M132-D532 HydrophobicContact CE-CB 3.98Å; M132-D532 WeakPolarHBondContact CG-O 3.45Å; M132-W533 HydrophobicContact CB-CD2 4.07Å; M132-W533 HydrophobicContact CB-CE3 4.33Å; M132-W533 HydrophobicContact CB-CH2 4.2Å; M132-W533 HydrophobicContact CB-CZ2 3.9Å; M132-W533 HydrophobicContact CB-CZ3 4.42Å; M132-C607 CarbonylContact O-C 3.36Å; M132-C607 VanDerWaalsContact O-CA 3.24Å; M132-C607 WeakPolarHBondContact O-CA 3.41Å; M132-C607 WeakPolarHBondContact O-CB 3.37Å; M132-K608 PolarHBondContact O-N 3.4Å; M132-A609 PolarHBondContact N-O 2.97Å
133P90Very high71.4Confident50 Ų5073.7 Ų73.733%0.32545%0.446SS..  trans-59.3157.5177.3-22.234000112.4Y131 S135 D532 V534Y131-P133 HydrophobicContact CD2-CG 4.3Å; Y131-P133 HydrophobicContact CE2-CG 4.15Å; Y131-P133 WeakPolarHBondContact O-CD 3.49Å; P133-S135 PolarHBondContact O-N 3.29Å; P133-D532 WeakPolarHBondContact CD-O 3.21Å; P133-V534 HydrophobicContact CG-CG2 3.83Å
134P86.4Confident68.7Low46 Ų4675.7 Ų75.730%0.29947%0.468SS..  trans-60.7126.2166.227.1-34.6000109.7V136 L567 S606P134-V136 PolarHBondContact O-N 3.44Å; P134-V136 VanDerWaalsContact O-N 3.08Å; P134-L567 HydrophobicContact CB-CD2 3.96Å; P134-L567 HydrophobicContact CG-CD2 4.47Å; P134-S606 WeakPolarHBondContact CD-O 3.19Å
135S75.7Confident66.1Low76 Ų7677.1 Ų77.153%0.53148%0.475SS..  trans-51.7114.4171.7-40.30000109.5P133 V137 K608P133-S135 PolarHBondContact O-N 3.29Å; S135-V137 PolarHBondContact O-N 3.13Å; S135-K608 PolarHBondContact OG-NZ 2.89Å
136V52.6Low63.5Low137 Ų13781.5 Ų81.583%0.8351%0.506SS*.  trans-73.990.5-170.9-175.60000110.3P134 A138P134-V136 PolarHBondContact O-N 3.44Å; P134-V136 VanDerWaalsContact O-N 3.08Å; V136-A138 PolarHBondContact O-N 3.43Å
137V41.8Very low60.4Low115 Ų11582.7 Ų82.770%0.69752%0.524SS*.  trans-71.8117.9156.2-178.60000106.4S135 T139S135-V137 PolarHBondContact O-N 3.13Å; V137-T139 HydrophobicContact CG1-CG2 4.21Å; V137-T139 PolarHBondContact O-N 2.86Å
138A34.9Very low58Low89 Ų8991.9 Ų91.974%0.73656%0.558SS**  trans-74.766.3-178.700000111.8V136 T140V136-A138 PolarHBondContact O-N 3.43Å; A138-T140 PolarHBondContact O-N 2.88Å; A138-T140 VanDerWaalsContact O-N 3.08Å
139T32.6Very low55.1Low122 Ų12298.4 Ų98.475%0.74858%0.583SS**  trans-67.7103.6166.252.40000108.5V137 S141V137-T139 HydrophobicContact CG1-CG2 4.21Å; V137-T139 PolarHBondContact O-N 2.86Å; T139-S141 PolarHBondContact O-N 3.38Å
140T29.1Very low52.1Low130 Ų130103.1 Ų103.180%0.79861%0.614SS**  trans-49.5128.2177.648.60000111.3A138 N142A138-T140 PolarHBondContact O-N 2.88Å; A138-T140 VanDerWaalsContact O-N 3.08Å; T140-N142 VanDerWaalsContact C-N 3.31Å; T140-N142 PolarHBondContact O-N 3Å
141S38.7Very low49.5Very low118 Ų118109.1 Ų109.183%0.82565%0.645SS**SBendtrans-72.679.7-177.356.20000112.2T139T139-S141 PolarHBondContact O-N 3.38Å
142N37.2Very low47.1Very low162 Ų162111.9 Ų111.987%0.86667%0.667SS**  trans-142.678.5166-102.4-24.4000109.3T140T140-N142 VanDerWaalsContact C-N 3.31Å; T140-N142 PolarHBondContact O-N 3Å
143G33.3Very low44.7Very low70 Ų70120.7 Ų120.772%0.72270%0.699SS**  trans-148.474.118000000109.9
144T36.4Very low42.3Very low131 Ų131120.4 Ų120.480%0.80470%0.698SS**PPolyproline II helixtrans-50124.9173-51.40000108.9
145P40.6Very low40.5Very low104 Ų104123.1 Ų123.168%0.67571%0.709SS**PPolyproline II helixtrans-59.7134.6178.824.8-33.2000108.9
146P39.9Very low39.1Very low108 Ų108124 Ų12470%0.70171%0.711SS**PPolyproline II helixtrans-57.5139179.424.6-33.9000109R148P146-R148 PolarHBondContact O-N 3.31Å
147P32.8Very low38.5Very low125 Ų125125.1 Ų125.181%0.81271%0.708SS**  trans-60107.9-171.222.7-33.4000110R149P147-R149 PolarHBondContact O-N 3.14Å
148R44.4Very low38.2Very low194 Ų194122.3 Ų122.373%0.73270%0.702SS**  trans-63.598.1173.4-70.1-168.8-176.2-162.26.4107.5P146 P150P146-R148 PolarHBondContact O-N 3.31Å; R148-P150 VanDerWaalsContact O-CD 3.24Å; R148-P150 WeakPolarHBondContact O-CD 3.42Å
149R34.2Very low38.4Very low233 Ų233125.6 Ų125.688%0.87971%0.707SS**  trans-60.3114162.2-67.1-178.2-178.41730.4106.4P147 L151P147-R149 PolarHBondContact O-N 3.14Å; R149-L151 PolarHBondContact O-N 2.88Å
150P32.4Very low38.6Very low99 Ų99128.3 Ų128.364%0.64372%0.717SS**  trans-68.8133.1175.731.2-34.3000107.8R148 S152R148-P150 VanDerWaalsContact O-CD 3.24Å; R148-P150 WeakPolarHBondContact O-CD 3.42Å; P150-S152 WeakPolarHBondContact CB-OG 3.3Å; P150-S152 PolarHBondContact O-N 2.68Å
151L40.7Very low39.2Very low130 Ų130124.8 Ų124.868%0.68171%0.706SS**  trans-80.461.7168.4-80.4170000108.9R149 R153R149-L151 PolarHBondContact O-N 2.88Å; L151-R153 VanDerWaalsContact C-N 3.26Å; L151-R153 PolarHBondContact O-N 3.46Å
152S43.5Very low38.8Very low82 Ų82129.3 Ų129.357%0.57371%0.711SS**  trans-68.180.7-179.7-62.20000111.2P150P150-S152 WeakPolarHBondContact CB-OG 3.3Å; P150-S152 PolarHBondContact O-N 2.68Å
153R41.7Very low38.5Very low213 Ų213126.3 Ų126.380%0.80470%0.703SS**  trans-169.4111155.5-102151.4-162.8-154.42.5108.5L151 I155L151-R153 VanDerWaalsContact C-N 3.26Å; L151-R153 PolarHBondContact O-N 3.46Å; R153-I155 PolarHBondContact O-N 3.08Å
154S39.1Very low38.6Very low44 Ų44132.1 Ų132.131%0.30871%0.709SS.*  trans-62.2130.7160.479.10000107.9T156 E157S154-T156 WeakPolarHBondContact CB-OG1 3.41Å; S154-T156 PolarHBondContact O-N 3.15Å; S154-T156 VanDerWaalsContact O-N 3.16Å; S154-T156 PolarHBondContact OG-OG1 2.89Å; S154-E157 PolarHBondContact O-N 3.05Å; S154-E157 VanDerWaalsContact O-N 3.14Å; S154-E157 WeakPolarHBondContact OG-CB 3.31Å
155I49.7Very low38.4Very low103 Ų103132.5 Ų132.553%0.52871%0.711SS.*G310 helixtrans-65.2-21.4-178-65.6175.6000110.8R153 E157R153-I155 PolarHBondContact O-N 3.08Å; I155-E157 VanDerWaalsContact C-N 3.27Å; I155-E157 PolarHBondContact O-N 2.85Å
156T45.1Very low38.2Very low94 Ų94133.5 Ų133.558%0.57772%0.717SS**G310 helixtrans-65-17.8173.738.50000115.5L45 S154L45-T156 HydrophobicContact CD1-CG2 4.45Å; S154-T156 WeakPolarHBondContact CB-OG1 3.41Å; S154-T156 PolarHBondContact O-N 3.15Å; S154-T156 VanDerWaalsContact O-N 3.16Å; S154-T156 PolarHBondContact OG-OG1 2.89Å
157E41.1Very low38Very low161 Ų161136.4 Ų136.475%0.75273%0.725SS**G310 helixtrans-99.5-0.6-174.2-160.9165.4-150.800113.4S154 I155S154-E157 PolarHBondContact O-N 3.05Å; S154-E157 VanDerWaalsContact O-N 3.14Å; S154-E157 WeakPolarHBondContact OG-CB 3.31Å; I155-E157 VanDerWaalsContact C-N 3.27Å; I155-E157 PolarHBondContact O-N 2.85Å
158G34.1Very low37.8Very low57 Ų57138.5 Ų138.559%0.58872%0.724SS**SBendtrans-96.2-1.5-173.900000116.9
159L39.4Very low37.4Very low157 Ų157139.8 Ų139.882%0.82273%0.729SS**SBendtrans-93.4-19-163.7-124.474.2000116.3G161L159-G161 PolarHBondContact O-N 2.83Å
160D37.7Very low37.3Very low180 Ų180134.8 Ų134.896%0.96372%0.724SS**THydrogen-bonded Turntrans-79.66.4-178.8-73.7-35.1000114
161G41.6Very low37.4Very low56 Ų56135.2 Ų135.258%0.57773%0.728SS**THydrogen-bonded Turntrans-103.9-15.9-161.400000118.7L159L159-G161 PolarHBondContact O-N 2.83Å
162F30.7Very low37.2Very low213 Ų213135.3 Ų135.393%0.93474%0.74SS**  trans-134.8114.3-170.9-80.5-80.8000114.6
163S31.1Very low36.9Very low99 Ų99137.8 Ų137.869%0.69275%0.747SS**  trans-119.2137.2168.790.20000111.3
164K35.6Very low36.6Very low192 Ų192135.2 Ų135.284%0.83575%0.746SS**  trans71.1103.8163.3-53.4169.6-174.2171.90118.3
165T31.3Very low36.5Very low139 Ų139136 Ų13685%0.85376%0.761SS**  -144.4157.4118.917.50000108.7
166P37.1Very low36.3Very low125 Ų125137.6 Ų137.681%0.81277%0.769SS**  trans-90132.3-158.833-34.3000114.1
167I34.5Very low36.1Very low169 Ų169137.9 Ų137.987%0.86778%0.775SS**  trans-111.4143.3156.6-65.2-179.2000108.4
168H29.7Very low36.2Very low169 Ų169137.5 Ų137.578%0.78277%0.773SS**  trans-62.7133.5-165.8-167.9-92.3000113.4
169R35.3Very low36.5Very low220 Ų220142.7 Ų142.783%0.8378%0.782SS**  trans-77.1131.7172.3-80.9-174.8171.5-169.4-4.2110.9
170T32.3Very low36.5Very low129 Ų129144.9 Ų144.979%0.79178%0.779SS**  trans-129.8139.6148.337.40000108.2
171C34.2Very low36.8Very low107 Ų107140 Ų14072%0.72376%0.759SS**  trans-99.7141.5-153.7-56.20000114.1
172S36.6Very low36.8Very low132 Ų132143.1 Ų143.192%0.92376%0.762SS**  trans-156.990.8150.5-77.40000107.2
173D37.3Very low37.4Very low134 Ų134138.9 Ų138.972%0.71775%0.748SS**  trans-105.4137.2-174.7-174.63.6000110.1G175D173-G175 PolarHBondContact OD1-N 3.1Å
174M35.8Very low38.2Very low159 Ų159143 Ų14378%0.78375%0.749SS**  trans-155.445.7158-95.4-50.4-63.900110.7I176M174-I176 HydrophobicContact CE-CD1 3.55Å; M174-I176 HydrophobicContact CE-CG1 4.09Å; M174-I176 PolarHBondContact O-N 3.02Å; M174-I176 HydrophobicContact SD-CD1 4.41Å
175G36.4Very low38.8Very low61 Ų61143 Ų14363%0.62974%0.744SS**  trans-81.999.8174.800000113.1D173D173-G175 PolarHBondContact OD1-N 3.1Å
176I45.4Very low40.1Very low136 Ų136138 Ų13870%0.69772%0.719SS**  trans-133.584176.7-41.4179.9000112.7M174M174-I176 HydrophobicContact CE-CD1 3.55Å; M174-I176 HydrophobicContact CE-CG1 4.09Å; M174-I176 PolarHBondContact O-N 3.02Å; M174-I176 HydrophobicContact SD-CD1 4.41Å
177S40.6Very low40.7Very low100 Ų100138 Ų13870%0.69971%0.709SS**SBendtrans-149.1-51.2170.155.70000113.9
178E44.3Very low41.7Very low154 Ų154136.4 Ų136.472%0.7270%0.699SS**THydrogen-bonded Turntrans-78.9-38.3-162.7-59.3-165.4116.900115.6R180 S181E178-R180 PolarHBondContact O-N 2.69Å; E178-R180 VanDerWaalsContact O-N 3.07Å; E178-S181 VanDerWaalsContact O-CB 3.22Å; E178-S181 WeakPolarHBondContact O-CB 3.08Å; E178-S181 PolarHBondContact O-N 2.95Å
179Q40.3Very low43.1Very low166 Ų166132.9 Ų132.978%0.77668%0.683SS**Hα-helixtrans-66-16.8-172.1-76.3173.9-29.200114.5S181Q179-S181 VanDerWaalsContact C-N 3.34Å
180R40Very low44.5Very low202 Ų202131.6 Ų131.676%0.76268%0.678SS**Hα-helixtrans-80.5-13.7173.7-155.5174.9-69.6-1491.2113.1E178E178-R180 PolarHBondContact O-N 2.69Å; E178-R180 VanDerWaalsContact O-N 3.07Å
181S42.3Very low46.1Very low77 Ų77130 Ų13054%0.53866%0.661SS.*Hα-helixtrans-77.1-51.3176.2-177.70000112.1E178 Q179 L183 R184 R185E178-S181 VanDerWaalsContact O-CB 3.22Å; E178-S181 WeakPolarHBondContact O-CB 3.08Å; E178-S181 PolarHBondContact O-N 2.95Å; Q179-S181 VanDerWaalsContact C-N 3.34Å; S181-L183 PolarHBondContact O-N 2.97Å; S181-R184 PolarHBondContact O-N 3.47Å; S181-R185 PolarHBondContact O-N 3.22Å
182L42.4Very low47.6Very low123 Ų123131.5 Ų131.564%0.64466%0.658SS**Hα-helixtrans-66.4-36.2-172.1-63.9176.5000113.2R185 G186L182-R185 PolarHBondContact O-N 3.2Å; L182-G186 PolarHBondContact O-N 3.36Å
183L43.5Very low49.1Very low123 Ų123132.6 Ų132.664%0.64464%0.642SS**Hα-helixtrans-60.4-49.7174.3-84.3162.9000111.9S181 R185 G186 E187S181-L183 PolarHBondContact O-N 2.97Å; L183-R185 VanDerWaalsContact C-N 3.26Å; L183-R185 PolarHBondContact O-N 2.7Å; L183-G186 PolarHBondContact O-N 3.39Å; L183-E187 PolarHBondContact O-N 3.43Å
184R47.3Very low50.6Low187 Ų187132.8 Ų132.871%0.70664%0.638SS**Hα-helixtrans-60.1-34.9176.9-82.2-169.8167.4-157.1-3.7112.9S181 M188S181-R184 PolarHBondContact O-N 3.47Å; R184-M188 WeakPolarHBondContact O-CB 3.48Å; R184-M188 PolarHBondContact O-N 3Å
185R49.5Very low52.2Low192 Ų192132.3 Ų132.373%0.72563%0.628SS**Hα-helixtrans-67.6-45.1177.2-155.7179.1-144.8-168.57.6111.7S181 L182 L183 E189S181-R185 PolarHBondContact O-N 3.22Å; L182-R185 PolarHBondContact O-N 3.2Å; L183-R185 VanDerWaalsContact C-N 3.26Å; L183-R185 PolarHBondContact O-N 2.7Å; R185-E189 PolarHBondContact O-N 2.98Å
186G56.8Low53.7Low32 Ų32133.9 Ų133.933%0.3362%0.619SS.*Hα-helixtrans-68.1-31.8179.800000114.3L182 L183 R190L182-G186 PolarHBondContact O-N 3.36Å; L183-G186 PolarHBondContact O-N 3.39Å; G186-R190 WeakPolarHBondContact O-CD 3.26Å; G186-R190 VanDerWaalsContact O-CG 3.27Å; G186-R190 WeakPolarHBondContact O-CG 3.41Å; G186-R190 PolarHBondContact O-N 3.15Å
187E51.6Low54.9Low127 Ų127136.3 Ų136.359%0.59362%0.619SS**Hα-helixtrans-72.1-45.4174.7-70.2-180144.500111.9L183 E189 R190 E191L183-E187 PolarHBondContact O-N 3.43Å; E187-E189 PolarHBondContact O-N 3.1Å; E187-R190 PolarHBondContact O-N 3.44Å; E187-E191 PolarHBondContact O-N 2.93Å
188M54.1Low56Low134 Ų134135.2 Ų135.266%0.6661%0.608SS**Hα-helixtrans-61-41.6179.2-169.5177.8-66.500112.3R184 R190 E191 E192R184-M188 WeakPolarHBondContact O-CB 3.48Å; R184-M188 PolarHBondContact O-N 3Å; M188-R190 PolarHBondContact O-N 3.38Å; M188-E191 PolarHBondContact O-N 3.05Å; M188-E192 PolarHBondContact O-N 3.2Å
189E59.3Low57.1Low96 Ų96136.6 Ų136.645%0.44961%0.607SS.*Hα-helixtrans-68.3-33.1177.8-159.1-166.3156.800112.6R185 E187 R193R185-E189 PolarHBondContact O-N 2.98Å; E187-E189 PolarHBondContact O-N 3.1Å; E189-R193 VanDerWaalsContact O-CG 3.28Å; E189-R193 WeakPolarHBondContact O-CG 3.44Å; E189-R193 PolarHBondContact O-N 2.98Å; E189-R193 IonicContact OE1-CZ 3.37Å; E189-R193 VanDerWaalsContact OE1-CZ 3.31Å; E189-R193 IonicContact OE1-NE 2.74Å; E189-R193 PolarHBondContact OE1-NE 2.92Å; E189-R193 IonicContact OE1-NH2 2.86Å; E189-R193 PolarHBondContact OE1-NH2 3.4Å
190R65.3Low58.2Low193 Ų193136.8 Ų136.873%0.72860%0.601SS**Hα-helixtrans-67.1-42.7172.9-76.1172.6176.5-168.4-0.8111.3G186 E187 M188 R193 Q194G186-R190 WeakPolarHBondContact O-CD 3.26Å; G186-R190 VanDerWaalsContact O-CG 3.27Å; G186-R190 WeakPolarHBondContact O-CG 3.41Å; G186-R190 PolarHBondContact O-N 3.15Å; E187-R190 PolarHBondContact O-N 3.44Å; M188-R190 PolarHBondContact O-N 3.38Å; R190-R193 PolarHBondContact O-N 3.39Å; R190-Q194 WeakPolarHBondContact O-CB 3.46Å; R190-Q194 PolarHBondContact O-N 3.41Å; R190-Q194 VanDerWaalsContact O-N 3.1Å
191E65.1Low59.2Low95 Ų95136.6 Ų136.644%0.44460%0.6SS.*Hα-helixtrans-65.9-42179-153.6-163.2166.200112E187 M188 Q194 R195E187-E191 PolarHBondContact O-N 2.93Å; M188-E191 PolarHBondContact O-N 3.05Å; E191-Q194 WeakPolarHBondContact O-CB 3.29Å; E191-Q194 PolarHBondContact O-N 2.87Å; E191-Q194 VanDerWaalsContact O-N 3.11Å; E191-R195 VanDerWaalsContact CD-NH2 3.32Å; E191-R195 WeakPolarHBondContact O-CG 3.39Å; E191-R195 PolarHBondContact O-N 3.28Å; E191-R195 IonicContact OE1-CZ 3.78Å; E191-R195 IonicContact OE1-NE 2.9Å; E191-R195 PolarHBondContact OE1-NE 2.95Å; E191-R195 IonicContact OE1-NH2 3.29Å; E191-R195 PolarHBondContact OE1-NH2 3.28Å; E191-R195 IonicContact OE2-CZ 2.8Å; E191-R195 IonicContact OE2-NE 3.92Å; E191-R195 IonicContact OE2-NH2 3.79Å; E191-R195 PolarHBondContact OE2-NH2 3.31Å
192E65.3Low59.8Low138 Ų138140 Ų14065%0.64561%0.607SS**Hα-helixtrans-60.9-47.1176.3-175167.4-145.900111.9M188 Q194 R195 E196M188-E192 PolarHBondContact O-N 3.2Å; E192-Q194 PolarHBondContact O-N 2.95Å; E192-R195 PolarHBondContact O-N 3.49Å; E192-E196 PolarHBondContact O-N 3.49Å
193R69.7Low60.6Low156 Ų156144.8 Ų144.859%0.58962%0.617SS**Hα-helixtrans-59.8-29.7174.4-70.3174.1-175.7-147.74.1112.6E189 R190 R197E189-R193 VanDerWaalsContact O-CG 3.28Å; E189-R193 WeakPolarHBondContact O-CG 3.44Å; E189-R193 PolarHBondContact O-N 2.98Å; E189-R193 IonicContact OE1-CZ 3.37Å; E189-R193 VanDerWaalsContact OE1-CZ 3.31Å; E189-R193 IonicContact OE1-NE 2.74Å; E189-R193 PolarHBondContact OE1-NE 2.92Å; E189-R193 IonicContact OE1-NH2 2.86Å; E189-R193 PolarHBondContact OE1-NH2 3.4Å; R190-R193 PolarHBondContact O-N 3.39Å; R193-R197 VanDerWaalsContact O-CG 3.3Å; R193-R197 WeakPolarHBondContact O-CG 3.32Å; R193-R197 PolarHBondContact O-N 3.3Å
194Q67.4Low61.1Low138 Ų138142.2 Ų142.265%0.64562%0.62SS**Hα-helixtrans-78.2-40.6177.3-162164-3.600112R190 E191 E192 R197 T198R190-Q194 WeakPolarHBondContact O-CB 3.46Å; R190-Q194 PolarHBondContact O-N 3.41Å; R190-Q194 VanDerWaalsContact O-N 3.1Å; E191-Q194 WeakPolarHBondContact O-CB 3.29Å; E191-Q194 PolarHBondContact O-N 2.87Å; E191-Q194 VanDerWaalsContact O-N 3.11Å; E192-Q194 PolarHBondContact O-N 2.95Å; Q194-R197 PolarHBondContact O-N 3.32Å; Q194-T198 PolarHBondContact O-N 2.84Å; Q194-T198 PolarHBondContact O-OG1 3.13Å
195R69.3Low61.5Low149 Ų149144.4 Ų144.456%0.56263%0.628SS**Hα-helixtrans-65.3-32.6173.1-69.1169.9176.3-153.63.2112.8E191 E192 T198 R199E191-R195 VanDerWaalsContact CD-NH2 3.32Å; E191-R195 WeakPolarHBondContact O-CG 3.39Å; E191-R195 PolarHBondContact O-N 3.28Å; E191-R195 IonicContact OE1-CZ 3.78Å; E191-R195 IonicContact OE1-NE 2.9Å; E191-R195 PolarHBondContact OE1-NE 2.95Å; E191-R195 IonicContact OE1-NH2 3.29Å; E191-R195 PolarHBondContact OE1-NH2 3.28Å; E191-R195 IonicContact OE2-CZ 2.8Å; E191-R195 IonicContact OE2-NE 3.92Å; E191-R195 IonicContact OE2-NH2 3.79Å; E191-R195 PolarHBondContact OE2-NH2 3.31Å; E192-R195 PolarHBondContact O-N 3.49Å; R195-T198 PolarHBondContact O-OG1 2.89Å; R195-R199 PolarHBondContact O-N 3.46Å
196E69.1Low61.5Low93 Ų93138.4 Ų138.444%0.43563%0.626SS.*Hα-helixtrans-71-39.9174.3-149.5-143.3139.300111.9E192 T198 R199 R200E192-E196 PolarHBondContact O-N 3.49Å; E196-T198 VanDerWaalsContact C-N 3.35Å; E196-T198 PolarHBondContact O-N 2.89Å; E196-R199 PolarHBondContact O-N 2.79Å; E196-R200 PolarHBondContact O-N 2.91Å; E196-R200 IonicContact OE1-CZ 3.93Å; E196-R200 IonicContact OE1-NE 2.83Å; E196-R200 PolarHBondContact OE1-NE 2.91Å; E196-R200 IonicContact OE1-NH2 3.98Å; E196-R200 PolarHBondContact OE1-NH2 3.34Å; E196-R200 IonicContact OE2-NH2 3.62Å
197R70.6Confident61.1Low187 Ų187147 Ų14771%0.70665%0.654SS**Hα-helixtrans-62.7-36.3177.2-77.2172.9172.1-163.9-3.7112.8R193 Q194 R201R193-R197 VanDerWaalsContact O-CG 3.3Å; R193-R197 WeakPolarHBondContact O-CG 3.32Å; R193-R197 PolarHBondContact O-N 3.3Å; Q194-R197 PolarHBondContact O-N 3.32Å; R197-R201 WeakPolarHBondContact O-CG 3.41Å; R197-R201 PolarHBondContact O-N 2.93Å
198T63.7Low60.4Low78 Ų78144 Ų14448%0.47966%0.658SS.*Hα-helixtrans-70.8-40.117344.50000112.5Q194 R195 E196 R200 R201 Q202Q194-T198 PolarHBondContact O-N 2.84Å; Q194-T198 PolarHBondContact O-OG1 3.13Å; R195-T198 PolarHBondContact O-OG1 2.89Å; E196-T198 VanDerWaalsContact C-N 3.35Å; E196-T198 PolarHBondContact O-N 2.89Å; T198-R200 VanDerWaalsContact C-N 3.34Å; T198-R200 PolarHBondContact O-N 3.36Å; T198-R201 WeakPolarHBondContact O-CB 3.46Å; T198-R201 PolarHBondContact O-N 3.34Å; T198-R201 VanDerWaalsContact O-N 3.11Å; T198-Q202 PolarHBondContact O-N 2.94Å
199R67Low59.5Low183 Ų183144.7 Ų144.769%0.69167%0.669SS**Hα-helixtrans-58.7-41172.6-82.1-179.9161178.6-4.6112.9R195 E196 Q202 R203R195-R199 PolarHBondContact O-N 3.46Å; E196-R199 PolarHBondContact O-N 2.79Å; R199-Q202 PolarHBondContact O-N 3.12Å; R199-R203 PolarHBondContact O-N 2.93Å
200R62.2Low58.2Low170 Ų170143.8 Ų143.864%0.64269%0.686SS**Hα-helixtrans-63.4-39.3173.7-68.2-174.9-173.5-1497.1112E196 T198 R203 G204E196-R200 PolarHBondContact O-N 2.91Å; E196-R200 IonicContact OE1-CZ 3.93Å; E196-R200 IonicContact OE1-NE 2.83Å; E196-R200 PolarHBondContact OE1-NE 2.91Å; E196-R200 IonicContact OE1-NH2 3.98Å; E196-R200 PolarHBondContact OE1-NH2 3.34Å; E196-R200 IonicContact OE2-NH2 3.62Å; T198-R200 VanDerWaalsContact C-N 3.34Å; T198-R200 PolarHBondContact O-N 3.36Å; R200-R203 PolarHBondContact O-N 3.45Å; R200-G204 PolarHBondContact O-N 3.48Å
201R61.8Low56.8Low198 Ų198140.9 Ų140.975%0.74769%0.689SS**Hα-helixtrans-66.5-35.2175.9-74.8177.1173.2-172.9-3.1113.9R197 T198R197-R201 WeakPolarHBondContact O-CG 3.41Å; R197-R201 PolarHBondContact O-N 2.93Å; T198-R201 WeakPolarHBondContact O-CB 3.46Å; T198-R201 PolarHBondContact O-N 3.34Å; T198-R201 VanDerWaalsContact O-N 3.11Å
202Q55.6Low55.2Low149 Ų149141.9 Ų141.970%0.69670%0.702SS**Hα-helixtrans-66.6-44.9173.4-81.3177.7-39.600111.9T198 R199 G204 R205T198-Q202 PolarHBondContact O-N 2.94Å; R199-Q202 PolarHBondContact O-N 3.12Å; Q202-G204 PolarHBondContact O-N 2.84Å; Q202-R205 PolarHBondContact O-N 3.16Å; Q202-R205 VanDerWaalsContact O-N 3.08Å
203R58.7Low53.4Low223 Ų223145.9 Ų145.984%0.84271%0.711SS**Hα-helixtrans-61-32.6178-70.5-179.2176.3-168-3.1112.9R199 R200 R205R199-R203 PolarHBondContact O-N 2.93Å; R200-R203 PolarHBondContact O-N 3.45Å; R203-R205 VanDerWaalsContact C-N 3.27Å; R203-R205 PolarHBondContact O-N 3.03Å
204G54Low51.5Low68 Ų68142.2 Ų142.270%0.70171%0.714SS**THydrogen-bonded Turntrans-73.1-5175.400000116.2R200 Q202R200-G204 PolarHBondContact O-N 3.48Å; Q202-G204 PolarHBondContact O-N 2.84Å
205R55.4Low49.9Very low234 Ų234140.8 Ų140.888%0.88372%0.719SS**THydrogen-bonded Turntrans-105.9-0.3179.7-78.6-174.3163.8-163.4-6.2114.6Q202 R203Q202-R205 PolarHBondContact O-N 3.16Å; Q202-R205 VanDerWaalsContact O-N 3.08Å; R203-R205 VanDerWaalsContact C-N 3.27Å; R203-R205 PolarHBondContact O-N 3.03Å
206G50Low48.1Very low66 Ų66139 Ų13968%0.6873%0.73SS**SBendtrans-93.8-0-170.700000117.3
207K49Very low46.3Very low212 Ų212142.4 Ų142.492%0.92275%0.75SS**  trans-140.396.8176.2-77-166.1172.9-172.50111
208G36.6Very low44.4Very low65 Ų65137.4 Ų137.467%0.6775%0.748SS**  trans-159.3103.9175.800000111.8
209T34.8Very low43.3Very low147 Ų147142.5 Ų142.590%0.90277%0.767SS**  trans46.2108.4156.554.70000119.7
210G32.5Very low41.6Very low77 Ų77139.5 Ų139.579%0.79477%0.765SS**  trans-147.1136.715500000109
211V34.4Very low40.4Very low132 Ų132139.9 Ų139.980%0.877%0.766SS**  trans-136.1165.5-171.6-175.30000108.6
212V31.3Very low39.2Very low117 Ų117137.1 Ų137.171%0.70976%0.762SS**  trans84.1131175.7-176.20000112.8
213R28.4Very low38.3Very low221 Ų221138 Ų13883%0.83476%0.763SS**  cis-153.9152.71-137.3177.1-166.8102.2-2.1113.1
214A30.9Very low37Very low79 Ų79134.8 Ų134.865%0.65376%0.758SS**  trans37.3132.7140.600000125.6
215S33.3Very low35.8Very low108 Ų108134.6 Ų134.676%0.75576%0.756SS**  90.4126.1122.762.90000124.8
216S30.5Very low34.6Very low112 Ų112132.5 Ų132.578%0.78376%0.756SS**  trans96.2149139.4-63.50000122
217L31.5Very low33.6Very low164 Ų164138.5 Ų138.586%0.85977%0.769SS**  trans69.4116.5176.9-57.5166.7000115.1
218A31.8Very low32.9Very low82 Ų82136.4 Ų136.468%0.67876%0.762SS**  cis87.3139.212.500000117.6
219E38.8Very low32.6Very low185 Ų185142.2 Ų142.286%0.86477%0.774SS**  trans66.4151.9171.5-67.9171.6175.600115.8
220D31.6Very low32.5Very low121 Ų121144 Ų14465%0.64777%0.772SS**  cis-161.1171.8-27.6-143.620.2000106.5
221R36.8Very low32.2Very low178 Ų178144.5 Ų144.567%0.67277%0.769SS**  cis-148.7-120.94.7-160.8170.7-17867.626.3113.8
222E37.3Very low32.2Very low139 Ų139146.8 Ų146.865%0.6577%0.771SS**  trans-143.4156.8-166-55.6151.1127.100110.5
223K37Very low32Very low167 Ų167148.3 Ų148.373%0.72677%0.77SS**  trans143.7144.3149.2-87.1-174.3175.5-69.80112
224E31.1Very low32.1Very low157 Ų157145.2 Ų145.273%0.73476%0.763SS**  cis-169.6161.1-16.7-146.1155.7-136.300108.5
225G29.1Very low32.1Very low64 Ų64146.2 Ų146.266%0.6677%0.765SS**  trans94.676.6150.900000121.2
226Q30.8Very low31.9Very low190 Ų190145 Ų14589%0.88877%0.769SS**  46.1119.6129-62172-7.100121.9
227M27.8Very low31.7Very low191 Ų191147.2 Ų147.294%0.94177%0.773SS**  -157.3124.8106.7-179.6164-82.200109.9
228E35.3Very low31.7Very low169 Ų169144.6 Ų144.679%0.7977%0.766SS**  trans-107.7145.5-176.2-64.4170.1169.400111.8
229M30.3Very low31.9Very low187 Ų187145.6 Ų145.692%0.92177%0.768SS**  -160.7131112.9-171.5155-76.100109.3
230E31.1Very low31.5Very low184 Ų184143.8 Ų143.886%0.8676%0.76SS**  trans-101.7-175.7-169.4-62.4-169.9117.800113.7
231A27.2Very low31.6Very low88 Ų88145.8 Ų145.873%0.72776%0.763SS**  trans-114.8172.7178.900000112.1
232E33.3Very low31.5Very low179 Ų179142.8 Ų142.884%0.83677%0.769SS**  trans26.7128.3161.4-59.1-164.5149.400121.7
233E28.3Very low31.2Very low149 Ų149140 Ų14070%0.69678%0.778SS**  -175.2157.6107.4-90.8-148.3133.300108.5
234K30.7Very low30.9Very low156 Ų156136.8 Ų136.868%0.67878%0.782SS**  cis108.4130.810-170.4-149.3-1751780114
235S30.1Very low30.8Very low101 Ų101134.8 Ų134.871%0.70679%0.786SS**  trans35.8112.5165.858.20000120.9
236G29.2Very low30.8Very low81 Ų81137.1 Ų137.184%0.83579%0.792SS**  trans-85-157.6168.900000115.6
237N27.1Very low30.6Very low160 Ų160132.6 Ų132.686%0.85679%0.787SS**  trans-149.7167.1-176.9-156.95.9000115.2
238C31.2Very low30.6Very low108 Ų108128.8 Ų128.873%0.7378%0.779SS**  trans-39.5170.4178.1-750000120.9
239S35.6Very low30.3Very low103 Ų103126.7 Ų126.772%0.7277%0.773SS**  cis179.9174-16.258.80000111.3
240E29.9Very low30.2Very low147 Ų147125 Ų12569%0.68776%0.763SS**  trans-174.4142142.7-90.8-117.4107.300114.5
241K34.8Very low30.1Very low164 Ų164125.3 Ų125.371%0.71376%0.756SS**  trans34157.9146.7-67.9177.3-172.6127.70124.1
242S35.2Very low30.1Very low115 Ų115127 Ų12780%0.80475%0.753SS**  cis-179.2145.8-24.957.70000111.6
243G29.6Very low30Very low81 Ų81126.2 Ų126.284%0.83575%0.75SS**  trans177.2159.8171.400000113.4
244A31.3Very low30Very low98 Ų98124.6 Ų124.681%0.8176%0.755SS**  trans-153.5148.9-168.900000116.9
245S29Very low30Very low116 Ų116123.3 Ų123.381%0.81176%0.756SS**  155.6144.4128.957.30000116.2
246S28.4Very low29.9Very low113 Ų113126.6 Ų126.679%0.7976%0.762SS**  trans51.4104.4142.9-55.40000125.2
247A26.3Very low29.9Very low94 Ų94126.4 Ų126.478%0.77776%0.76SS**  74.7149.6114.700000125.2
248S29.1Very low30.1Very low111 Ų111129.3 Ų129.378%0.77676%0.759SS**  trans92.9122.8149.471.70000122.7
249N28.4Very low30.1Very low125 Ų125129.3 Ų129.367%0.66875%0.751SS**  trans52.9137.3132.2-76.736000125.2
250E28.5Very low30.1Very low152 Ų152131.6 Ų131.671%0.7175%0.751SS**  trans62.9155.9133.1-74.6161.6165.200118.7
251R28.7Very low30.2Very low190 Ų190134.5 Ų134.572%0.71776%0.755SS**  cis163.5156.6-18.7-115.8-154.6-148.7178.85.3103.6
252D28.4Very low30Very low123 Ų123134.5 Ų134.566%0.65876%0.762SS**  trans60.6164.2153.4-53.2-15.7000115.7
253E30Very low29.8Very low163 Ų163134 Ų13476%0.76277%0.765SS**  cis-156.3165.8-24.2-122.2-168.815200109.3
254S27.7Very low29.9Very low116 Ų116133.5 Ų133.581%0.81176%0.76SS**  trans66.5176.1150.179.90000119.5
255N30.6Very low30Very low129 Ų129137.2 Ų137.269%0.6976%0.764SS**  -166.9157.5-53.6-172.715.5000108.6
256M29Very low30.2Very low169 Ų169141.8 Ų141.883%0.83376%0.764SS**  trans64.2134.2174.2-51.1-171.8179.700116.1
257G29.2Very low30.4Very low77 Ų77142.2 Ų142.279%0.79476%0.757SS**  cis116.1137.5-2.200000113
258R30.2Very low30.9Very low221 Ų221144.2 Ų144.283%0.83475%0.751SS**  trans-158129.1167.5-157.2155.1-167.4153.713.4116.2
259D32.8Very low31.1Very low108 Ų108147.6 Ų147.658%0.57875%0.747SS**  trans32.2121.4146.7-46.2-17.2000122.7
260E34.3Very low31.4Very low152 Ų152148.8 Ų148.871%0.7175%0.748SS**  trans68.2158.9131.3-66.6-166.7165.500121.2
261R32.3Very low31.6Very low207 Ų207149.6 Ų149.678%0.78176%0.757SS**  cis-147.4177.96.2-140.4165169.3120.7-5.8112.5
262L31.5Very low31.8Very low164 Ų164149.7 Ų149.786%0.85977%0.766SS**  trans-86.3163.6-175-80.484000115.8
263A30.6Very low31.9Very low104 Ų104152.3 Ų152.386%0.8677%0.774SS**  trans73.2147.3155.900000117.9
264G31.4Very low31.8Very low71 Ų71150.2 Ų150.273%0.73277%0.772SS**  cis113.9100.7-7.100000114.7
265I33.2Very low31.8Very low176 Ų176150.5 Ų150.590%0.90377%0.774SS**  trans-158.8162168.3-103153000108
266R33.4Very low31.9Very low212 Ų212152.6 Ų152.680%0.878%0.78SS**  trans-94.6-169.6-178.8-53.6177.4176.1169.5-5.9111.2
267D33.4Very low33Very low122 Ų122149.5 Ų149.565%0.65277%0.773SS**  cis-168.717329.6-117.1-38.7000111
268E35.6Very low32.8Very low137 Ų137152.9 Ų152.964%0.6477%0.773SS**  trans69.9128.2157.6-71.3-177.5149.100119.4
269R33.9Very low32.9Very low182 Ų182146.8 Ų146.869%0.68776%0.764SS**  69.1144.474.7-69.9-163-80.9-173.6-2113.3
270E35Very low32.5Very low149 Ų149147.2 Ų147.270%0.69677%0.774SS**  cis-159.8177.1-9-113.4157.2-159.700106.1
271D31.9Very low32.4Very low170 Ų170148.6 Ų148.691%0.90978%0.781SS**  trans153.5160.1148-79-17.4000113.8
272E34.3Very low32.3Very low191 Ų191145.8 Ų145.889%0.89378%0.778SS**  trans-109.7-176.4-167.4-62.4-167116.300115.2
273E29.7Very low32.5Very low178 Ų178143.5 Ų143.583%0.83277%0.766SS**  trans11495.2134.6-154.3163.4-142.400119.6
274T27Very low32.8Very low119 Ų119146.1 Ų146.173%0.7376%0.76SS**  52.9120.6129.7-50.20000122.4
275S28.7Very low32.9Very low122 Ų122148.9 Ų148.985%0.85376%0.759SS**  trans-160.5122.2131.9-120000113.8
276E31.8Very low33.1Very low174 Ų174148 Ų14881%0.81376%0.756SS**  trans-103.8-167160.8-72.5-78.8178.400107.9
277P51.9Low33Very low103 Ų103144.7 Ų144.767%0.66975%0.754SS**  cis-131-173.8-22.823.60.6000113.4
278D26.2Very low33.1Very low149 Ų149144 Ų14480%0.79775%0.75SS**  -162.4119.6129.1-123.1-2.9000109.3
279S31.5Very low33.2Very low93 Ų93146.3 Ų146.365%0.6575%0.753SS**  67.7135.779.1-43.80000114.1
280C25.3Very low33.1Very low117 Ų117144.2 Ų144.279%0.79176%0.755SS**  cis-128.1157.10.4-60.40000108.8
281E32.3Very low33.2Very low181 Ų181146.3 Ų146.385%0.84677%0.765SS**  cis69.4129.947-76.7-163.4-178.700117.4
282M30.2Very low33.2Very low147 Ų147147.4 Ų147.472%0.72477%0.765SS**  trans166116.5135.6-80.9-68.2-7700106.9
283L35.8Very low32.9Very low117 Ų117142.1 Ų142.161%0.61376%0.761SS**  65.5146.189.2-64.9-158000113.8
284E36.3Very low33Very low158 Ų158139.9 Ų139.974%0.73877%0.765SS**  cis-143.3177-2.6-78.8116.7116.200108.7
285D33.8Very low33Very low130 Ų130137.8 Ų137.870%0.69577%0.768SS**  -165.8164.3-60-85.9-35.9000111.6
286D36.5Very low32.9Very low158 Ų158136 Ų13685%0.84577%0.769SS**  trans67.6155.8158.6-82.1-22.3000127.3
287D33.1Very low32.8Very low141 Ų141133.1 Ų133.175%0.75477%0.768SS**  trans79.4104149.4-102.28.2000125.9
288D35.4Very low31.8Very low108 Ų108136.4 Ų136.458%0.57878%0.779SS**  62.9134.3115-110.7-0.7000127.1
289R36.7Very low32Very low186 Ų186138.2 Ų138.270%0.70278%0.783SS**  trans73.4123.1140-83.2-175.5-92156.63.2126.1
290D32.8Very low31.9Very low138 Ų138138.9 Ų138.974%0.73879%0.793SS**  78.9141.5122-61.8-16.5000126.2
291E35.8Very low32.1Very low192 Ų192141 Ų14190%0.89780%0.797SS**  trans84.3163.9147.2-97.9-168.3-162.800124.4
292E31.6Very low31.8Very low193 Ų193135.9 Ų135.990%0.90279%0.793SS**  trans-86.3167.2-157.3-50.5-173.8149.200114.4
293G28.9Very low31.6Very low80 Ų80135.5 Ų135.583%0.82579%0.793SS**  trans-168.989.9175.400000115.5
294S30.8Very low31.2Very low131 Ų131137.8 Ų137.892%0.91681%0.805SS**  trans-76.8123.1-178.2157.10000115.1
295G27.2Very low30.7Very low76 Ų76141 Ų14178%0.78481%0.811SS**  trans95174.9131.600000119.2
296G27.3Very low30.5Very low85 Ų85139.1 Ų139.188%0.87681%0.813SS**  trans121.7115.1174.200000114.5
297S30.3Very low30.1Very low113 Ų113141.8 Ų141.879%0.7981%0.811SS**  trans-103.8156.2165.656.30000110.4
298L29.8Very low29.8Very low172 Ų172141.5 Ų141.590%0.90181%0.805SS**  trans-175.9164.2135.1-102.4165.1000112.3
299E30.8Very low29.5Very low187 Ų187145 Ų14587%0.87482%0.823SS**  trans-92.8157176.8-55.9176.2125.600112
300A29.2Very low29Very low106 Ų106139 Ų13988%0.87682%0.819SS**  trans-156.5138.3149.200000111.1
301D29.2Very low28.8Very low161 Ų161141.8 Ų141.886%0.86183%0.828SS**  trans-99.6160174.2-17417.7000110.9
302G26.1Very low28.4Very low74 Ų74137.8 Ų137.876%0.76382%0.821SS**  trans-16170.8-166.600000116.3
303L26.1Very low28.3Very low140 Ų140139.6 Ų139.673%0.73382%0.821SS**  trans-96127.4-173.8176.594.8000115.4
304L27.2Very low28.1Very low165 Ų165138.7 Ų138.786%0.86481%0.812SS**  trans-150.6135.1148.4-71.5-176.9000108.1
305R26.5Very low28Very low226 Ų226139.6 Ų139.685%0.85381%0.812SS**  cis65.5136.340.2-90.2-169.4167.7-160.3-2.9114.5
306A28.5Very low28.1Very low90 Ų90142.1 Ų142.174%0.74481%0.807SS**  cis-152.5-162.7-0.500000109
307R27.9Very low28.3Very low213 Ų213145.3 Ų145.380%0.80480%0.801SS**  cis-155.8176.711.2-170.3159.6-174.5-112.7-30.6111.7
308E28.4Very low28.2Very low135 Ų135143.3 Ų143.363%0.63180%0.799SS**  trans-80.9156.4-176.4-37.4115.5102.300117.3
309L28.8Very low28.1Very low181 Ų181144.3 Ų144.395%0.94879%0.79SS**  trans-154.5158.2135.8-77.3-173.9000107.5
310G26.4Very low27.9Very low61 Ų61142.4 Ų142.463%0.62978%0.781SS**  cis161.9140.7-6.900000112.2
311E27.3Very low27.8Very low196 Ų196141.5 Ų141.592%0.91677%0.774SS**  trans75.9159.2164.7-53-163.8141.200121.3
312S27.5Very low27.6Very low108 Ų108142.4 Ų142.476%0.75577%0.773SS**  trans-159.6155.5-179.269.30000111.1
313Y29Very low27.7Very low231 Ų231148.3 Ų148.391%0.90678%0.781SS**  trans-147.5159.4166.5-97.5-82.2000111.6
314G26.1Very low27.7Very low61 Ų61150 Ų15063%0.62979%0.785SS**  trans-142.5-140.1175.500000110.8
315V28.7Very low28.3Very low150 Ų150148 Ų14891%0.90978%0.782SS**  trans84.5147.2-179.6-176.40000114.3
316D28.9Very low28.4Very low130 Ų130140.3 Ų140.370%0.69577%0.773SS**  cis-173.7177-37-164.610.7000109.5
317M31.3Very low28.3Very low152 Ų152143.8 Ų143.875%0.74978%0.779SS**  trans81.4120.3150.6-77.9-68.9170.800123.8
318G27.6Very low28.1Very low71 Ų71140.2 Ų140.273%0.73278%0.776SS**  110.5155.8124.900000119.3
319R27.7Very low28.1Very low192 Ų192140.7 Ų140.773%0.72578%0.782SS**  cis-174.3139.3-21.9-138-172.9-169.9-124.43.3111.1
320E27.4Very low28Very low147 Ų147137.2 Ų137.269%0.68777%0.773SS**  trans52.7167.9156.2-74.3139.5-155.800118.6
321A28Very low28Very low87 Ų87139.9 Ų139.972%0.71978%0.782SS**  cis-141155.6-9.400000106.4
322Q24.2Very low28Very low181 Ų181138.9 Ų138.985%0.84678%0.777SS**  cis80.496.640.6-169.8-179.8500115.2
323E27.9Very low27.8Very low198 Ų198139.9 Ų139.993%0.92577%0.774SS**  trans-173156.6145.3-110.2169.1-153.400114.2
324E25.3Very low27.7Very low174 Ų174133.6 Ų133.681%0.81376%0.764SS**  trans-156.5165.3179.6-84.6-86.4-179.500105.3
325P41.8Very low27.7Very low124 Ų124138 Ų13881%0.80577%0.773SS**  cis-142-169.421.543.8-24000116.3
326G27.2Very low27.6Very low65 Ų65140.2 Ų140.267%0.6777%0.773SS**  trans179.2136.1160.400000116.3
327D26.3Very low27.4Very low163 Ų163139.7 Ų139.787%0.87278%0.78SS**  trans-70.5171.9-176.4-46.1-69.6000113.8
328D25.3Very low27.1Very low138 Ų138138.9 Ų138.974%0.73878%0.783SS**  cis-156.8171.621-16312.4000114.1
329L28.1Very low27Very low144 Ų144145.8 Ų145.875%0.75479%0.787SS**  trans-18.8128.2174.8-69.8156.2000120.9
330S26.7Very low26.9Very low109 Ų109143.3 Ų143.376%0.76278%0.784SS**  163.2135.192.852.70000117.8
331S25Very low26.8Very low117 Ų117143.7 Ų143.782%0.81879%0.79SS**  trans45113.2141.7-58.40000124.8
332Q27.1Very low26.7Very low174 Ų174144.9 Ų144.981%0.81379%0.788SS**  111.8126.2119.8-138.5-179.6-27.700122.1
333D25Very low26.8Very low129 Ų129148.2 Ų148.269%0.6979%0.793SS**  trans70.3120151.4-84.9-41.2000125.5
334S25.2Very low26.9Very low100 Ų100147.8 Ų147.870%0.69979%0.788SS**  trans89.8116.8137.677.80000122.6
335L26.7Very low27Very low154 Ų154147.2 Ų147.281%0.80679%0.79SS**  trans40.8105.6130.9-64.7169.5000120
336Q26.7Very low26.5Very low195 Ų195146.7 Ų146.791%0.91179%0.79SS**  174.5133.8104.5-94.9160.64700112.8
337S24.8Very low26.8Very low120 Ų120147.9 Ų147.984%0.83979%0.793SS**  trans-133.4135.6143.6110.10000111
338T24.8Very low27.2Very low134 Ų134146.1 Ų146.182%0.82279%0.791SS**  trans-53141.4-17844.30000115.7
339R25.9Very low27.3Very low217 Ų217145.4 Ų145.482%0.81980%0.797SS**  trans-143.2110.7144.4-154.9166.8-172.8156.37113.3
340E25.7Very low27.5Very low139 Ų139144 Ų14465%0.6580%0.799SS**  trans67.9148.6148.2-70.4166.7-137.200123.1
341L25Very low27.8Very low155 Ų155147.5 Ų147.581%0.81280%0.803SS**  trans95.1145.8143-86.3163.7000123.5
342V25.7Very low28Very low113 Ų113150.6 Ų150.669%0.68581%0.808SS**  trans64.5104.3172.5-161.50000118.9K344V342-K344 HydrophobicContact CG1-CG 4.47Å
343R26.1Very low28Very low251 Ų251146.2 Ų146.295%0.94780%0.802SS**  trans-117.2156.3132.7-94.3-169.6171.682.52.1110.1
344K30.2Very low28.1Very low188 Ų188148 Ų14882%0.81781%0.812SS**  trans-97.1148.5-163.5-54.6171.6-177.5177.30111.9V342V342-K344 HydrophobicContact CG1-CG 4.47Å
345N29Very low28.1Very low162 Ų162148.7 Ų148.787%0.86682%0.816SS**  trans-179.8144.7155.8-90.1-15.6000106.2
346S30.8Very low28Very low113 Ų113149.4 Ų149.479%0.7982%0.82SS**  cis-139.6172.53.9-65.80000111.1
347A32.3Very low28.1Very low91 Ų91148.3 Ų148.375%0.75282%0.82SS**  trans-83.9160.1171.400000112.4
348P34.3Very low28.2Very low126 Ų126148.1 Ų148.182%0.81882%0.818SS**  trans-76.215817832.5-36.2000112.9
349S28.5Very low28.3Very low123 Ų123150.8 Ų150.886%0.8682%0.822SS**  trans-112.3118.9179.7-178.90000111.8
350S32.9Very low29Very low114 Ų114145.5 Ų145.580%0.79782%0.815SS**  trans-170.938.3164.751.40000114.3
351Q32.8Very low29Very low183 Ų183146.6 Ų146.686%0.85583%0.825SS**  trans-136.5108.2168.8-70.4-172.5-4.100110.9
352I28.8Very low29Very low181 Ų181143.8 Ų143.893%0.92882%0.818SS**  trans176.3106.8149.9-90.5150.4000106.5
353A27.5Very low29Very low83 Ų83146.6 Ų146.669%0.68682%0.824SS**  trans-165.8155.4161.400000107.4
354D26.4Very low29Very low166 Ų166142.9 Ų142.989%0.88882%0.817SS**  trans57.374.1165-52.5-20.5000117.9
355S25.2Very low28.9Very low114 Ų114138.5 Ų138.580%0.79781%0.81SS**  trans-149.243162.775.10000114.6
356L25.7Very low28.7Very low170 Ų170136 Ų13689%0.8981%0.805SS**  trans-141.787.8171.6-77.1-179.8000112.5
357L27.2Very low28.5Very low171 Ų171137.9 Ų137.990%0.89581%0.812SS**SBendtrans173.6155.8132.8-94.8161.4000112.7
358S26.3Very low28.3Very low116 Ų116140.9 Ų140.981%0.81182%0.816SS**  trans60.699167.357.20000120.4
359Q26.9Very low27.9Very low190 Ų190140.3 Ų140.389%0.88882%0.815SS**  trans-152.3167.1142.5-109.1-161.523.900107
360P41.7Very low27.8Very low106 Ų106138 Ų13869%0.68881%0.81SS**  cis-127.9-174.4-7.141.3-26.8000112.8
361L24.7Very low27.4Very low163 Ų163141.2 Ų141.285%0.85382%0.817SS**  trans-156.3145.5140.6-109157.1000111.4
362S25.8Very low27Very low95 Ų95136.4 Ų136.466%0.66480%0.803SS**  trans-20.9165.7168.652.10000121
363Q26Very low26.9Very low173 Ų173138.6 Ų138.681%0.80880%0.801SS**  cis-179.5-179.5-19.5-177.6160.7-35.600106.4
364E25Very low26.8Very low173 Ų173138 Ų13881%0.80880%0.804SS**  trans75159.4168.2-55.2-172.9175.100116.8
365S28.1Very low26.9Very low96 Ų96137 Ų13767%0.67180%0.796SS**  -166137.9-68.442.30000109.9
366S25.7Very low27Very low108 Ų108141 Ų14176%0.75580%0.801SS**  trans1.2130.8162.3570000120.2
367T27.5Very low27.2Very low153 Ų153139 Ų13994%0.93979%0.792SS**  -150.5169.9122.9-0.90000111.7
368D26.3Very low27.3Very low154 Ų154140.1 Ų140.182%0.82480%0.795SS**  trans-110.6-170-165.8-174.521.1000111.1
369S27.9Very low27.6Very low115 Ų115141.8 Ų141.880%0.80480%0.795SS**  trans92.9133.4169.878.90000117.5
370G24.4Very low27.9Very low74 Ų74140.2 Ų140.276%0.76379%0.791SS**  trans-134155.6159.800000109.2
371I24.6Very low27.4Very low182 Ų182141.9 Ų141.993%0.93380%0.795SS**  trans-143.2162.5175.4-97.6162.5000108.2
372S24.4Very low27.6Very low82 Ų82141.4 Ų141.457%0.57379%0.793SS**  trans-122.2167.6-162.4175.90000113.9
373Y28.5Very low28Very low226 Ų226143.6 Ų143.689%0.88680%0.802SS**  trans111.4147.5152.8-63-70.9000119.9
374G24.3Very low28.1Very low72 Ų72143.1 Ų143.174%0.74281%0.805SS**  trans97.894.9-174.500000112.3
375M29.4Very low28.2Very low145 Ų145145 Ų14571%0.71481%0.811SS**  cis84.687.715.4-143.8-75.5168.600115.3D377M375-D377 WeakPolarHBondContact CE-OD2 3.36Å
376E27Very low28.1Very low196 Ų196148.1 Ų148.192%0.91682%0.815SS**  trans-142.9131.9158-70-167.8147.700108.1
377D28.8Very low28.3Very low128 Ų128152.4 Ų152.468%0.68482%0.819SS**  trans-110.6147.2179.6-64.4-45.3000111.2M375M375-D377 WeakPolarHBondContact CE-OD2 3.36Å
378M31.1Very low28.2Very low195 Ų195152.3 Ų152.396%0.96181%0.808SS**  trans-161.5120.5148.3-116.4-178.3-168.900112.6
379D31.3Very low28.2Very low151 Ų151150.5 Ų150.581%0.80781%0.808SS**  trans-84165.4176.5-66.2-65.4000113.4
380L33.7Very low28.1Very low157 Ų157156.1 Ų156.182%0.82281%0.813SS**  trans-149.5123145.1-145.176000114
381N31.4Very low28.2Very low142 Ų142157.8 Ų157.876%0.75981%0.813SS**  trans71.593.4162.1-62.4-18.9000119.8
382D28.4Very low28.3Very low153 Ų153157.7 Ų157.782%0.81881%0.814SS**  trans-49.3151.3150.2-75.9-74.2000114.4
383T34.2Very low28.5Very low140 Ų140161.1 Ų161.186%0.85983%0.825SS**  -156.9126.7129.35.20000112.1
384L27.8Very low28.7Very low164 Ų164156.6 Ų156.686%0.85982%0.821SS**  trans-14.7125.9179.5-92.161.7000119.8
385F27.9Very low28.9Very low213 Ų213157.5 Ų157.593%0.93482%0.822SS**  trans-73.1120149-91-98.4000110.9
386Q26.3Very low29Very low161 Ų161161.3 Ų161.375%0.75283%0.828SS**  trans-94.3101.3164.5-167.1176.97.500111.2Q388Q386-Q388 HydrophobicContact CG-CG 4.44Å; Q386-Q388 PolarHBondContact O-N 3.41Å
387K28.8Very low29.2Very low197 Ų197161 Ų16186%0.85783%0.826SS**  trans-74.3117.6172.5-179.5-179.3179.4179.80110.3
388Q25.6Very low29.2Very low151 Ų151165.2 Ų165.271%0.70683%0.833SS**  trans-117.6151.5165.1-65.8-162.911.400111Q386Q386-Q388 HydrophobicContact CG-CG 4.44Å; Q386-Q388 PolarHBondContact O-N 3.41Å
389S25.5Very low29.2Very low117 Ų117161.3 Ų161.382%0.81883%0.825SS**PPolyproline II helixtrans-92.2139.7-166.1-57.30000112.6
390Y26.3Very low29.3Very low232 Ų232161.8 Ų161.891%0.9183%0.827SS**PPolyproline II helixtrans-67.6133168.3-80.4-97.2000111.2
391S25.9Very low29.2Very low110 Ų110160.7 Ų160.777%0.76983%0.827SS**PPolyproline II helixtrans-90.5123.6157.354.50000109.5
392L27.8Very low29.3Very low179 Ų179161.8 Ų161.894%0.93783%0.83SS**PPolyproline II helixtrans-73.5136.2165.3-77.5163.5000109.3
393D27.8Very low29.3Very low154 Ų154159.9 Ų159.982%0.82483%0.829SS**  trans-126.4155.7166.1-159.1-0.6000109.9
394V32.4Very low29.2Very low131 Ų131158.3 Ų158.379%0.79482%0.824SS**  trans-91.8148.6-151177.80000113.3
395A30.2Very low29.6Very low91 Ų91155.1 Ų155.175%0.75281%0.813SS**  trans-39.2137.2-176.900000115.9
396R30.2Very low29.9Very low225 Ų225154.2 Ų154.285%0.84981%0.809SS**  trans-136.894.9158.5-139.8178.4-166.41142.2110.6R398R396-R398 PolarHBondContact O-N 2.72Å
397E30.7Very low30.3Very low189 Ų189158.4 Ų158.488%0.88382%0.818SS**  trans-59.6133.8172.8-62.5-174.2142.700110.6
398R30.7Very low30.4Very low218 Ų218158.3 Ų158.382%0.82382%0.82SS**  trans-13796.8163.5-85.4-172.9161.2145.9-5.3109R396 L400R396-R398 PolarHBondContact O-N 2.72Å; R398-L400 PolarHBondContact O-N 2.85Å
399S30.4Very low30.6Very low113 Ų113158.2 Ų158.279%0.7983%0.825SS**  trans-64.1116.5168.439.90000109.8T401S399-T401 PolarHBondContact O-N 3.39Å
400L32.5Very low31.3Very low161 Ų161157.7 Ų157.784%0.84382%0.818SS**  trans-90.498.7172.2-69.3177.5000109.1R398 I402R398-L400 PolarHBondContact O-N 2.85Å; L400-I402 PolarHBondContact O-N 3.45Å
401T31.7Very low31.6Very low134 Ų134156.4 Ų156.482%0.82282%0.818SS**  trans-68.1117172.433.20000110.4S399 S403S399-T401 PolarHBondContact O-N 3.39Å; T401-S403 PolarHBondContact O-N 3.47Å; T401-S403 VanDerWaalsContact O-N 3.15Å
402I34.2Very low31.7Very low164 Ų164156 Ų15684%0.84182%0.815SS**  trans-71.1108.3174.2-60.2175.5000108.7L400 S404L400-I402 PolarHBondContact O-N 3.45Å; I402-S404 PolarHBondContact O-N 2.85Å
403S29.2Very low31.7Very low114 Ų114158.7 Ų158.780%0.79781%0.814SS**  trans-77.1111.8172.145.30000110.4T401T401-S403 PolarHBondContact O-N 3.47Å; T401-S403 VanDerWaalsContact O-N 3.15Å
404S31.4Very low31.8Very low107 Ų107160.5 Ų160.575%0.74882%0.815SS**  trans-109.3113.6174.6-174.20000110.2I402I402-S404 PolarHBondContact O-N 2.85Å
405P36.9Very low31.5Very low96 Ų96163.3 Ų163.362%0.62382%0.819SS**  trans-76.9155.5172.832.8-33.8000111.2
406F33.5Very low31.4Very low195 Ų195168.7 Ų168.786%0.85583%0.826SS**  trans70.573.3174.1-49.7-71000117.9
407R33.8Very low31.3Very low249 Ų249164.3 Ų164.394%0.9482%0.824SS**  trans-133.5108.8131.8-75.3-166.4-174.9-111.21.7111.1
408H31.1Very low31.1Very low195 Ų195163.2 Ų163.290%0.90382%0.823SS**  trans-100.6132.2151.8-81.4-69.4000108.3
409N30.9Very low31.1Very low149 Ų149159.9 Ų159.980%0.79782%0.821SS**  trans-145.7129.8157.5-16134.1000108.1F411N409-F411 PolarHBondContact O-N 2.84Å
410P39.9Very low31Very low105 Ų105162 Ų16268%0.68282%0.819SS**  trans-103.184.5-15837.9-34.2000114.2
411F32Very low30.8Very low205 Ų205160.8 Ų160.890%0.89981%0.813SS**  trans-140.9115.9159.5-85.8-71.9000111.8N409N409-F411 PolarHBondContact O-N 2.84Å
412S28.6Very low30.8Very low101 Ų101162.8 Ų162.871%0.70681%0.813SS**  trans-100.9105.2-176.6154.40000111.1
413Y27.9Very low30.5Very low237 Ų237161.8 Ų161.893%0.92981%0.81SS**PPolyproline II helixtrans-97.2120158.9-109.5-98000109.8
414K29.6Very low30.5Very low192 Ų192162 Ų16284%0.83581%0.807SS**PPolyproline II helixtrans-83.9123.7180-67.4-176.8178.6-178.90110.3
415Q26.6Very low30.4Very low190 Ų190162.9 Ų162.989%0.88881%0.813SS**PPolyproline II helixtrans-96.9128.1166-167.7158.4-2500109.2
416K27.5Very low30.1Very low203 Ų203169.7 Ų169.788%0.88383%0.826SS**PPolyproline II helixtrans-76.4139176.8-86.7-174.2172.3-176.80110.4
417V28.2Very low30.6Very low134 Ų134165.1 Ų165.181%0.81282%0.815SS**PPolyproline II helixtrans-71.8139.7160.11780000108.4
418L27Very low30.5Very low166 Ų166164.6 Ų164.687%0.86981%0.814SS**PPolyproline II helixtrans-102.2129.7164.4176.968.3000107.2
419D29.7Very low31.7Very low147 Ų147160 Ų16079%0.78680%0.801SS**  trans-132165.9170-144.5-28000110
420Q28.7Very low31.5Very low158 Ų158161.1 Ų161.174%0.73880%0.801SS**  trans-100.5155.2-147.2-156.2177-0.300115.3
421N28.3Very low31Very low136 Ų136159.9 Ų159.973%0.72780%0.795SS**  trans99150.9152.3-79.6-46.7000122.8
422Q32.4Very low31Very low175 Ų175157.1 Ų157.182%0.81879%0.789SS**  trans79.785.6164.7-67.3-176.548.500121.4
423N28.2Very low31.2Very low143 Ų143158.3 Ų158.377%0.76579%0.787SS**  79.1135.6117.5-91.8-5.3000125.1
424T28.2Very low31.3Very low120 Ų120154.2 Ų154.274%0.73678%0.776SS**  trans77.3131.8144.446.10000123.3
425S30.4Very low31.4Very low125 Ų125153.3 Ų153.387%0.87477%0.774SS**  trans72.3136.6157.341.10000122
426R29.1Very low31.5Very low239 Ų239148.5 Ų148.590%0.90276%0.762SS**  trans-111.1179.3168.6-118.6-177.2-175.8-171.73.7107
427P43.8Very low31.6Very low98 Ų98144.5 Ų144.564%0.63676%0.759SS**  cis-143163-10.736.9-17.1000117.8
428R31.6Very low31.7Very low238 Ų238142.7 Ų142.790%0.89875%0.753SS**  trans68.3-179.6142.9-77-174.2174.8-167.20.8118
429P56.2Low31.9Very low98 Ų98142 Ų14264%0.63675%0.75SS**  -141.2-149.8-82.144.6-22.7000114.6
430H27.5Very low32Very low173 Ų173141 Ų14180%0.80175%0.754SS**  trans86.5149.4172-67.1-79.9000117.9
431S30.5Very low32.4Very low80 Ų80141.5 Ų141.556%0.55976%0.761SS**  cis-179.3175.2-2753.60000111.4
432L31.8Very low34Very low147 Ų147140.5 Ų140.577%0.7776%0.762SS**  trans73.9151.6160-58.9171.2000116.4
433L31.2Very low35Very low125 Ų125137.3 Ų137.365%0.65476%0.756SS**  cis-159.5161.6-7.4-105.2163.9000111.6
434Q31.7Very low34.9Very low151 Ų151140 Ų14071%0.70676%0.761SS**  trans42.7136.7148.4-72.1159.3-28.600122.1
435H30.4Very low35Very low173 Ų173142.7 Ų142.780%0.80177%0.768SS**  66.2136.454.9-67-63.7000114.2
436S28.6Very low35.1Very low90 Ų90142.4 Ų142.463%0.62976%0.761SS**  cis-169.5-179.51.1-94.60000112
437S30.3Very low36.5Very low118 Ų118136.5 Ų136.583%0.82575%0.754SS**  trans70.3156.515445.30000121.5
438S30.7Very low36.5Very low97 Ų97137.7 Ų137.768%0.67876%0.761SS**  cis-170161.6-19.1540000114.7
439N31.4Very low36.3Very low152 Ų152131.7 Ų131.781%0.81376%0.756SS**  trans42133.5147.8-57.1-7.6000125.4
440S32Very low35Very low125 Ų125136.6 Ų136.687%0.87477%0.767SS**  166.4173.7126.349.80000115.6
441L36.3Very low35.2Very low168 Ų168133.7 Ų133.788%0.8877%0.767SS**  trans-153.9176.1-173.8-77.8171.5000110
442P62.5Low35.9Very low116 Ų116135.6 Ų135.675%0.75378%0.777SS**  cis-120.4-106.7-1923.22.8000111.4
443P51.9Low36.1Very low107 Ų107134.9 Ų134.970%0.69578%0.779SS**  -131.2168.8-50.437.4-18.9000118.3
444K27.4Very low37.4Very low199 Ų199134.3 Ų134.387%0.86578%0.783SS**  trans43.6125.5149.8-74.7-176.4174.2179.50123.8
445M29.8Very low38.4Very low178 Ų178132.5 Ų132.588%0.87778%0.784SS**  -177.7177.3113.2-85-115.672.200111.5
446T32.1Very low38.4Very low119 Ų119130 Ų13073%0.7379%0.786SS**  trans-117.7164.1-158.834.50000116.6
447P60Low38.6Very low115 Ų115131.2 Ų131.275%0.74779%0.794SS**  trans-92.2-174.2-172.240.4-39.2000114.1
448P42.2Very low39.5Very low122 Ų122130.9 Ų130.979%0.79279%0.79SS**  -156.6177100.442.2-24.4000118.5
449S27.6Very low39.5Very low112 Ų112130.8 Ų130.878%0.78379%0.789SS**  trans91144.4145.1-147.80000122.1
450F29.5Very low39.3Very low201 Ų201129.5 Ų129.588%0.88279%0.787SS**  trans-154172.8179.2-107.1-77.8000109.6
451S31.7Very low39.2Very low112 Ų112129.3 Ų129.378%0.78379%0.786SS**  trans78.1162.3175.288.70000115.3
452P45.3Very low39.1Very low120 Ų120126.4 Ų126.478%0.77978%0.779SS**  cis-125.5-167.31343-27.4000116.4
453T35Very low38.6Very low132 Ų132125.3 Ų125.381%0.8177%0.772SS**  trans-108.8-156.9-175.6500000111.9
454P60.1Low37.7Very low113 Ų113128.7 Ų128.773%0.73478%0.778SS**  -103.8-164.2-8038-22.6000111.8
455P50.9Low37.8Very low113 Ų113124.7 Ų124.773%0.73478%0.776SS**  -160.4171.692.642.8-22.7000119.2
456S31.3Very low38.1Very low122 Ų122121.3 Ų121.385%0.85377%0.77SS**  trans65.5144.7144.8-63.30000125.7
457S33.5Very low38.2Very low114 Ų114120.8 Ų120.880%0.79777%0.77SS**  trans-98.7-166.5167.3-460000110.1
458P48.7Very low37Very low112 Ų112125.5 Ų125.573%0.72778%0.775SS**  cis-146.3-176.87.238.6-14.3000119.2
459S29.4Very low36.6Very low95 Ų95126.7 Ų126.766%0.66477%0.774SS**  trans73.5136.1141.454.20000125.9
460T28.3Very low36.9Very low124 Ų124125 Ų12576%0.76177%0.767SS**  trans78128139.145.80000125.7
461S29.6Very low37.7Very low122 Ų122120.7 Ų120.785%0.85376%0.759SS**  trans73.3151.114252.30000123.7
462S33.8Very low37.7Very low107 Ų107126.7 Ų126.775%0.74876%0.764SS**  trans-103.3-168.517559.60000110.4
463P53.4Low38Very low93 Ų93126 Ų12660%0.60476%0.76SS**  cis-141.8-153.35.839.6-15.2000115.6
464H31.8Very low37.8Very low177 Ų177127.2 Ų127.282%0.81976%0.762SS**  trans77.5158.7172.2-54.6-52.1000117
465S30.1Very low36.4Very low116 Ų116128 Ų12881%0.81176%0.764SS**  cis-143.2-1728.9-155.70000113.8
466S35.7Very low36.3Very low107 Ų107127.4 Ų127.475%0.74876%0.761SS**  trans-123.7-167.8-167.2-52.70000115.4
467S34.2Very low36.2Very low107 Ų107128.9 Ų128.975%0.74876%0.759SS**  trans89.8147.7177.4800000115.9
468Y35.1Very low36Very low214 Ų214127.7 Ų127.784%0.83975%0.751SS**  cis-158.9-179.6-8-112.5-29.3000107.9
469L34.4Very low35Very low147 Ų147128 Ų12877%0.7775%0.751SS**  cis-152.9-152.65.2-134.3175.2000110.1
470A32.9Very low34.9Very low77 Ų77130.6 Ų130.664%0.63676%0.756SS**  trans-149.6-163.817300000108.6
471P45.8Very low34.9Very low110 Ų110131.8 Ų131.871%0.71476%0.758SS**  cis-147157.7-2.940.6-19.9000119.9
472R32Very low34.9Very low238 Ų238131.4 Ų131.490%0.89876%0.755SS**  trans64.2-178.1142.4-69.2-179.3167.9-170.7-2.6119.7
473P52.9Low35.1Very low105 Ų105132.7 Ų132.768%0.68276%0.761SS**  -138178.1-72.243.8-27.5000115.6
474N29.8Very low33.9Very low159 Ų159133.4 Ų133.485%0.8577%0.768SS**  trans-178.1176.2142.3-95.6-21.7000114.2
475T30.5Very low33.7Very low128 Ų128134.3 Ų134.379%0.78577%0.77SS**  trans-139.6-171.2-162.553.30000112.3
476P49.3Very low33.5Very low102 Ų102136.1 Ų136.166%0.66277%0.766SS**  cis-131.6-161.3-45.934.7-14.7000113.5
477N29.1Very low33.2Very low152 Ų152139.1 Ų139.181%0.81377%0.77SS**  trans73.2157.1157.7-70.41000119.1
478S28.9Very low33.3Very low90 Ų90139.4 Ų139.463%0.62977%0.769SS**  cis-170.4145.5-18.350.60000114.1
479T27.3Very low33Very low118 Ų118134.8 Ų134.872%0.72477%0.768SS**  trans60.5134.8142.354.60000125.6
480L27.9Very low32.7Very low149 Ų149133.1 Ų133.178%0.7877%0.769SS**  trans98.2144.8132.7-80.4163.6000124.3
481N28.5Very low32.6Very low149 Ų149134.3 Ų134.380%0.79777%0.772SS**  trans82.5126156.2-67.5-10.7000123.2
482S30.3Very low31.8Very low114 Ų114139.1 Ų139.180%0.79778%0.783SS**  trans-102.3174.3162.1-45.80000110.2
483P37.8Very low31.6Very low134 Ų134134.2 Ų134.287%0.8777%0.774SS**  -143.1-176.69238.2-22.3000114.5
484S27.2Very low30.4Very low108 Ų108139.2 Ų139.276%0.75579%0.785SS**  trans-119.8165.9-167.7550000114.2
485F27.5Very low30.3Very low196 Ų196137.3 Ų137.386%0.8678%0.775SS**  trans-137.9157.3159-106-82.4000111.5
486Q27.1Very low30.3Very low155 Ų155139.5 Ų139.572%0.72478%0.781SS**  trans-68.1155-167-63.9115-3200113.9
487M28.5Very low29.3Very low170 Ų170142 Ų14284%0.83779%0.789SS**  cis65.6146.844.9-72.5-68.5172.700113.1
488P36.9Very low29.6Very low112 Ų112143.1 Ų143.173%0.72779%0.789SS**  cis-136172.928.543.4-27.9000117.3
489S28.6Very low29.9Very low118 Ų118144.5 Ų144.583%0.82580%0.797SS**  -164.2131.9126.2-80.30000111.6
490S27.3Very low30.2Very low111 Ų111143.3 Ų143.378%0.77680%0.798SS**  trans-89.3167.4176.450.20000112
491S31.4Very low30.3Very low102 Ų102139.7 Ų139.771%0.71380%0.797SS**  cis-179.2149.4-21.8-84.20000106.1
492F29.8Very low30.4Very low212 Ų212140.7 Ų140.793%0.9380%0.802SS**  trans177.8111.4138.4-97.7-62.1000109.2
493N27.6Very low30.9Very low135 Ų135142.8 Ų142.872%0.72280%0.803SS**  trans-96.3162.6175.3-85.60.4000111.3
494F27.3Very low30.6Very low209 Ų209147.7 Ų147.792%0.91780%0.804SS**  trans-136.5115.7147.5-140.4-83.3000108.6
495D27.3Very low31.3Very low119 Ų119150.5 Ų150.564%0.63681%0.811SS**  trans-81.4146.2-177.8-74.4-60.9000112.2
496L30.2Very low31.4Very low174 Ų174152.2 Ų152.291%0.91181%0.812SS**  trans-138.1120153.9-91.1174.1000108.4
497N29.4Very low31.6Very low155 Ų155149.8 Ų149.883%0.82981%0.809SS**  trans-66.7131-170.1-70.3-38.5000113.3
498E34Very low31.9Very low175 Ų175151.8 Ų151.882%0.81881%0.813SS**  trans-92.6127.8162.3-178.9-176.2-14500110.5
499P35.2Very low31.7Very low120 Ų120151.3 Ų151.378%0.77981%0.808SS**  trans-100.699.5160.133.5-25.5000110.1G501P499-G501 PolarHBondContact O-N 3.33Å
500A34.3Very low32.1Very low92 Ų92150.9 Ų150.976%0.7681%0.805SS**  trans-6312917700000111.7
501G30.1Very low32.4Very low73 Ų73151.7 Ų151.775%0.75380%0.8SS**  trans-136134.1-178.200000112.5P499P499-G501 PolarHBondContact O-N 3.33Å
502L30Very low33Very low171 Ų171152.3 Ų152.390%0.89580%0.802SS**  trans-69.8141.7-169.1-108.773.5000115
503L42.3Very low33.8Very low157 Ų157150.8 Ų150.882%0.82280%0.795SS**  trans0.9113.2153.1-65.7169.3000117.9
504R30.6Very low34.6Very low237 Ų237151.1 Ų151.189%0.89480%0.797SS**  trans-137.3138.3134.5-84.2-161.3175.2-152.50.1110.3R506R504-R506 PolarHBondContact O-N 3.32Å; R504-R506 VanDerWaalsContact O-N 3.1Å
505N41.3Very low35.9Very low167 Ų167142.9 Ų142.989%0.89376%0.763SS**  trans-58.7112.6169.7-69.6-22.5000109.5
506R30.1Very low37.3Very low233 Ų233139.1 Ų139.188%0.87975%0.746SS**  trans-86.1134.9159.2-70.6-172.4176.9-166.2-0.2108R504R504-R506 PolarHBondContact O-N 3.32Å; R504-R506 VanDerWaalsContact O-N 3.1Å
507P32Very low38.6Very low103 Ų103140.1 Ų140.167%0.66974%0.737SS**  trans-63.4157.7168.928.7-33.7000109.9V509P507-V509 VanDerWaalsContact C-N 3.26Å; P507-V509 HydrophobicContact CG-CG2 4Å; P507-V509 PolarHBondContact O-N 2.86Å
508F34.6Very low40.2Very low212 Ų212133.3 Ų133.393%0.9370%0.701SS**  trans-65.689.3164.6-105.1-94.9000108.5S510F508-S510 VanDerWaalsContact C-N 3.27Å; F508-S510 PolarHBondContact O-N 3.49Å
509V32.9Very low41.5Very low103 Ų103131.3 Ų131.362%0.62470%0.696SS**  trans-76.986.4171.2-1700000107.5P507 L511P507-V509 VanDerWaalsContact C-N 3.26Å; P507-V509 HydrophobicContact CG-CG2 4Å; P507-V509 PolarHBondContact O-N 2.86Å; V509-L511 HydrophobicContact CG1-CD2 3.96Å; V509-L511 HydrophobicContact CG1-CG 3.95Å; V509-L511 PolarHBondContact O-N 3.39Å
510S35.9Very low42.8Very low108 Ų108128.8 Ų128.876%0.75568%0.675SS**  trans-68.379.3161.8570000108.6F508F508-S510 VanDerWaalsContact C-N 3.27Å; F508-S510 PolarHBondContact O-N 3.49Å
511L34.9Very low44.3Very low128 Ų128125.3 Ų125.367%0.6764%0.644SS**PPolyproline II helixtrans-54.9130.8162.7-70.9174.5000107.3V509 F513V509-L511 HydrophobicContact CG1-CD2 3.96Å; V509-L511 HydrophobicContact CG1-CG 3.95Å; V509-L511 PolarHBondContact O-N 3.39Å; L511-F513 PolarHBondContact O-N 3.29Å; L511-F513 VanDerWaalsContact O-N 3.09Å
512P42.4Very low46.1Very low116 Ų116123.1 Ų123.175%0.75362%0.616SS**PPolyproline II helixtrans-63116.2168.527.3-31.6000107.1D514P512-D514 PolarHBondContact O-N 3Å
513F46.6Very low48Very low180 Ų180118.2 Ų118.279%0.78960%0.595SS**PPolyproline II helixtrans-56.5132172.8-64.5-85.4000108.7L511 V515L511-F513 PolarHBondContact O-N 3.29Å; L511-F513 VanDerWaalsContact O-N 3.09Å; F513-V515 PolarHBondContact O-N 3.42Å
514D45.5Very low49.2Very low142 Ų142111.8 Ų111.876%0.75956%0.561SS**  trans-75.171.4-174.1-119.4-30000111W6 P512W6-D514 PolarHBondContact NE1-O 3.03Å; P512-D514 PolarHBondContact O-N 3Å
515V54.3Low50.7Low35 Ų35107.6 Ų107.621%0.21256%0.556CS.*PPolyproline II helixtrans-79.3121.3167.7177.50000106.6F83 F513 R517F83-V515 HydrophobicContact CZ-CG1 3.85Å; F513-V515 PolarHBondContact O-N 3.42Å; V515-R517 PolarHBondContact O-N 3.09Å
516P56.4Low52.1Low40 Ų40104.8 Ų104.826%0.2654%0.538SS..PPolyproline II helixtrans-50.2133-175-28.633.4000112W6 R638W6-P516 HydrophobicContact CH2-CG 3.46Å; W6-P516 VanDerWaalsContact CH2-CG 3.46Å; W6-P516 VanDerWaalsContact CZ2-CD 3.49Å; W6-P516 HydrophobicContact CZ2-CG 3.42Å; W6-P516 VanDerWaalsContact CZ2-CG 3.42Å; W6-P516 HydrophobicContact CZ3-CG 4.48Å; P516-R638 PolarHBondContact O-NH2 3.43Å
517R58.4Low54Low196 Ų19699.1 Ų99.174%0.7453%0.532SS*.PPolyproline II helixtrans-64149.1-173.8-65.7-174.9-179.4-156.90111V515 D519V515-R517 PolarHBondContact O-N 3.09Å; R517-D519 VanDerWaalsContact C-N 3.33Å; R517-D519 WeakPolarHBondContact CB-OD1 3.48Å; R517-D519 PolarHBondContact O-N 3.2Å
518D62.4Low56.1Low12 Ų1295.5 Ų95.56%0.06451%0.506CS..  trans-90.673.6177.5-66.7-19.9000107.6S63 R81 L520 L521 Q636 R638S63-D518 WeakPolarHBondContact CB-OD1 3.41Å; S63-D518 VanDerWaalsContact OG-CG 3.23Å; S63-D518 PolarHBondContact OG-OD1 3.28Å; S63-D518 PolarHBondContact OG-OD2 2.87Å; S63-D518 VanDerWaalsContact OG-OD2 3.08Å; R81-D518 IonicContact CZ-OD1 3.76Å; R81-D518 IonicContact CZ-OD2 3.11Å; R81-D518 IonicContact NE-OD1 2.69Å; R81-D518 IonicContact NE-OD2 3.56Å; R81-D518 PolarHBondContact NE-OD2 2.87Å; R81-D518 IonicContact NH2-OD1 3.66Å; R81-D518 IonicContact NH2-OD2 2.68Å; R81-D518 PolarHBondContact NH2-OD2 2.77Å; D518-L520 PolarHBondContact O-N 3.34Å; D518-L521 HydrophobicContact CB-CB 4.41Å; D518-L521 PolarHBondContact O-N 3.4Å; D518-Q636 PolarHBondContact O-OE1 2.7Å; D518-R638 IonicContact OD1-NH2 3.88Å
519D62.1Low57.9Low133 Ų13388.8 Ų88.871%0.71148%0.484SS*.THydrogen-bonded Turntrans-66.8-5.6-165.2-59.9-41.4000115.4R517R517-D519 VanDerWaalsContact C-N 3.33Å; R517-D519 WeakPolarHBondContact CB-OD1 3.48Å; R517-D519 PolarHBondContact O-N 3.2Å
520L60.9Low59.5Low67 Ų6790.2 Ų90.235%0.35149%0.493SS..THydrogen-bonded Turntrans-100.3-1.8175.6-54.9176.8000112.9M132 D518 K608 Q636M132-L520 HydrophobicContact SD-CD1 4.48Å; D518-L520 PolarHBondContact O-N 3.34Å; L520-K608 HydrophobicContact CD1-CB 4.28Å; L520-Q636 HydrophobicContact CB-CG 4.38Å; L520-Q636 HydrophobicContact CD1-CG 4.28Å
521L66.4Low61Low19 Ų1996.4 Ų96.410%0.09950%0.5CS..  trans-129.4119.5-173.2-77.2174.4000112.5D518 L528 W533 A609 Q634 Q636D518-L521 HydrophobicContact CB-CB 4.41Å; D518-L521 PolarHBondContact O-N 3.4Å; L521-L528 HydrophobicContact CD2-CD2 4.44Å; L521-W533 HydrophobicContact CD2-CH2 3.58Å; L521-W533 HydrophobicContact CD2-CZ2 3.9Å; L521-A609 HydrophobicContact CD2-CB 4.3Å; L521-A609 HydrophobicContact CG-CB 4.32Å; L521-Q634 HydrophobicContact CD1-CB 4.03Å; L521-Q634 HydrophobicContact CD1-CG 3.91Å; L521-Q634 HydrophobicContact CD2-CB 4.16Å; L521-Q636 HydrophobicContact CD1-CB 3.58Å; L521-Q636 HydrophobicContact CG-CB 4.18Å
522P67.9Low63.3Low26 Ų2695 Ų9517%0.16949%0.493CS..  trans-66.9165.3164.930.7-33.7000110.7Q526 L528 R611 Q634P522-Q526 HydrophobicContact CB-CB 4.2Å; P522-L528 HydrophobicContact CG-CD2 3.96Å; P522-R611 PolarHBondContact O-NH2 3.09Å; P522-R611 VanDerWaalsContact O-NH2 3.11Å; P522-Q634 PolarHBondContact O-NE2 2.9Å; P522-Q634 PolarHBondContact O-OE1 3.08Å
523P70.3Confident65.5Low69 Ų6990.4 Ų90.445%0.44846%0.461SS..  trans-50.5152.3170.8-26.735000112.9D525 Q526 R611P523-D525 PolarHBondContact O-N 3.29Å; P523-D525 VanDerWaalsContact O-N 3.14Å; P523-Q526 HydrophobicContact CB-CG 4.4Å; P523-Q526 HydrophobicContact CG-CG 4.5Å; P523-Q526 PolarHBondContact O-N 2.89Å; P523-R611 PolarHBondContact O-NH2 3.45Å
524L67.3Low67.6Low22 Ų2284.7 Ų84.712%0.11544%0.44CS..THydrogen-bonded Turntrans-54.8-36.4-177.8-83.272.4000112.1T65 Q526 R611 P632 Q634T65-L524 HydrophobicContact CG2-CD1 3.46Å; T65-L524 VanDerWaalsContact CG2-CD1 3.46Å; L524-Q526 VanDerWaalsContact C-N 3.3Å; L524-Q526 PolarHBondContact O-N 3.48Å; L524-R611 PolarHBondContact O-NH1 3.49Å; L524-P632 HydrophobicContact CD2-CB 4.41Å; L524-Q634 HydrophobicContact CD1-CG 3.78Å; L524-Q634 HydrophobicContact CG-CG 4.3Å
525D61.4Low69.9Low148 Ų14881.5 Ų81.579%0.79143%0.426SS*.THydrogen-bonded Turntrans-77.9-11.2-175.4-40.5-79.1000113.5P523P523-D525 PolarHBondContact O-N 3.29Å; P523-D525 VanDerWaalsContact O-N 3.14Å
526Q71.4Confident71.7Confident108 Ų10880.9 Ų80.951%0.50542%0.421SS..SBendtrans-100.3144.4177.9-67.5-176.2300111P522 P523 L524 R611P522-Q526 HydrophobicContact CB-CB 4.2Å; P523-Q526 HydrophobicContact CB-CG 4.4Å; P523-Q526 HydrophobicContact CG-CG 4.5Å; P523-Q526 PolarHBondContact O-N 2.89Å; L524-Q526 VanDerWaalsContact C-N 3.3Å; L524-Q526 PolarHBondContact O-N 3.48Å; Q526-R611 PolarHBondContact O-NH1 3.17Å; Q526-R611 PolarHBondContact O-NH2 2.95Å
527P69.8Low73.6Confident115 Ų11583.5 Ų83.575%0.74743%0.43SS*.PPolyproline II helixtrans-64.1154.517628.4-35.2000112
528L77.1Confident75.3Confident27 Ų2775.2 Ų75.214%0.14141%0.406CS..PPolyproline II helixtrans-77.6148.7174.8-69.9170.8000111.4L521 P522 T530 W533 R611L521-L528 HydrophobicContact CD2-CD2 4.44Å; P522-L528 HydrophobicContact CG-CD2 3.96Å; L528-T530 PolarHBondContact O-N 3.3Å; L528-W533 HydrophobicContact CB-CD2 4.46Å; L528-W533 HydrophobicContact CB-CG 4.44Å; L528-W533 HydrophobicContact CD1-CD2 4.05Å; L528-W533 HydrophobicContact CD1-CE3 3.61Å; L528-W533 HydrophobicContact CD1-CZ3 3.86Å; L528-W533 HydrophobicContact CD2-CD2 4.26Å; L528-W533 HydrophobicContact CD2-CE3 4.36Å; L528-W533 HydrophobicContact CD2-CH2 4.12Å; L528-W533 HydrophobicContact CD2-CZ2 4.03Å; L528-W533 HydrophobicContact CD2-CZ3 4.27Å; L528-W533 HydrophobicContact CG-CE3 4.48Å; L528-R611 HydrophobicContact CD1-CB 3.93Å
529P71.9Confident77Confident70 Ų7078.1 Ų78.146%0.45542%0.421SS..PPolyproline II helixtrans-66.4117.4174-17.831.6000111.4R531P529-R531 PolarHBondContact O-N 3.34Å
530T66.4Low78.6Confident133 Ų13371.9 Ų71.982%0.81639%0.388SS*.THydrogen-bonded Turntrans-68-9.7-170.4-25.10000115.4L528L528-T530 PolarHBondContact O-N 3.3Å
531R67.5Low80.3Confident239 Ų23968.9 Ų68.990%0.90237%0.372SS*.THydrogen-bonded Turntrans-81.3-37.9-172.4-71.7-173.4173.9-174.4-2.4114.2P529P529-R531 PolarHBondContact O-N 3.34Å
532D82.4Confident81.7Confident98 Ų9868.3 Ų68.352%0.52437%0.369SS..SBendtrans-109.35.7-172.5-51.8-76.5000113.1M132 P133M132-D532 HydrophobicContact CE-CB 3.98Å; M132-D532 WeakPolarHBondContact CG-O 3.45Å; P133-D532 WeakPolarHBondContact CD-O 3.21Å
533W88.4Confident83.1Confident20 Ų2067.2 Ų67.28%0.07636%0.362CS..  trans-122.6118.7-168.2-76.780.6000112.2Y131 M132 L521 L528 A609Y131-W533 VanDerWaalsContact C-CE3 3.41Å; Y131-W533 WeakPolarHBondContact O-CA 3.02Å; M132-W533 HydrophobicContact CB-CD2 4.07Å; M132-W533 HydrophobicContact CB-CE3 4.33Å; M132-W533 HydrophobicContact CB-CH2 4.2Å; M132-W533 HydrophobicContact CB-CZ2 3.9Å; M132-W533 HydrophobicContact CB-CZ3 4.42Å; L521-W533 HydrophobicContact CD2-CH2 3.58Å; L521-W533 HydrophobicContact CD2-CZ2 3.9Å; L528-W533 HydrophobicContact CB-CD2 4.46Å; L528-W533 HydrophobicContact CB-CG 4.44Å; L528-W533 HydrophobicContact CD1-CD2 4.05Å; L528-W533 HydrophobicContact CD1-CE3 3.61Å; L528-W533 HydrophobicContact CD1-CZ3 3.86Å; L528-W533 HydrophobicContact CD2-CD2 4.26Å; L528-W533 HydrophobicContact CD2-CE3 4.36Å; L528-W533 HydrophobicContact CD2-CH2 4.12Å; L528-W533 HydrophobicContact CD2-CZ2 4.03Å; L528-W533 HydrophobicContact CD2-CZ3 4.27Å; L528-W533 HydrophobicContact CG-CE3 4.48Å; W533-A609 HydrophobicContact CH2-CB 3.73Å; W533-A609 HydrophobicContact CZ2-CB 4.11Å
534V91.3Very high84.4Confident60 Ų6064 Ų6436%0.36434%0.341SS..EExtended strand (participates in β ladder)trans-83.4124.6171.3-177.90000108.3S130 Y131 P133 I536S130-V534 CarbonylContact C-O 3.56Å; S130-V534 VanDerWaalsContact CA-O 3.28Å; S130-V534 WeakPolarHBondContact CA-O 3.48Å; Y131-V534 HydrophobicContact CD1-CB 4.41Å; Y131-V534 HydrophobicContact CD2-CB 4.42Å; Y131-V534 HydrophobicContact CE1-CB 3.94Å; Y131-V534 HydrophobicContact CE1-CG1 3.86Å; Y131-V534 HydrophobicContact CE2-CB 3.96Å; Y131-V534 HydrophobicContact CE2-CG1 4.44Å; Y131-V534 HydrophobicContact CE2-CG2 4.26Å; Y131-V534 PolarHBondContact N-O 2.96Å; Y131-V534 PolarHBondContact O-N 3.42Å; P133-V534 HydrophobicContact CG-CG2 3.83Å; V534-I536 HydrophobicContact CG1-CG1 4.46Å
535T93Very high85.8Confident75 Ų7563 Ų6346%0.4634%0.336SS..EExtended strand (participates in β ladder)trans-115.9131.5178.7-64.50000110.8R128 S130R128-T535 HydrophobicContact CG-CG2 3.61Å; S130-T535 WeakPolarHBondContact CB-OG1 3.35Å; S130-T535 WeakPolarHBondContact OG-CG2 3.43Å; S130-T535 PolarHBondContact OG-OG1 3.01Å
536I93.8Very high87.4Confident21 Ų2156 Ų5611%0.10830%0.298CS..EExtended strand (participates in β ladder)trans-125.9119.3178-54.8177.9000107.7L129 Y131 V534 F540 F572L129-I536 PolarHBondContact N-O 3.44Å; L129-I536 PolarHBondContact O-N 3.47Å; Y131-I536 HydrophobicContact CE1-CD1 3.97Å; Y131-I536 HydrophobicContact CE1-CG1 4.46Å; V534-I536 HydrophobicContact CG1-CG1 4.46Å; I536-F540 HydrophobicContact CB-CZ 4.47Å; I536-F540 HydrophobicContact CG2-CE1 4.47Å; I536-F540 HydrophobicContact CG2-CZ 3.92Å; I536-F572 HydrophobicContact CD1-CE1 4.11Å; I536-F572 HydrophobicContact CD1-CE2 3.92Å; I536-F572 HydrophobicContact CD1-CZ 3.37Å
537E95.8Very high88.5Confident96 Ų9651.2 Ų51.245%0.44928%0.276SS..EExtended strand (participates in β ladder)trans-110.5145.5171-172170.8145.100110.2G127 R128 L615G127-E537 WeakPolarHBondContact O-CA 3.18Å; R128-E537 HydrophobicContact CB-CB 4.35Å; R128-E537 HydrophobicContact CB-CG 4.25Å; R128-E537 HydrophobicContact CG-CB 4.31Å; R128-E537 IonicContact CZ-OE2 3.14Å; R128-E537 IonicContact NE-OE2 2.75Å; R128-E537 PolarHBondContact NE-OE2 3.12Å; R128-E537 IonicContact NH2-OE2 2.69Å; R128-E537 PolarHBondContact NH2-OE2 2.79Å; E537-L615 HydrophobicContact CG-CD1 4.08Å
538G94.8Very high89.6Confident22 Ų2245.8 Ų45.823%0.22724%0.241CC..EExtended strand (participates in β ladder)trans158-16317700000112.6K126 G127 F540K126-G538 WeakPolarHBondContact CA-O 3.46Å; G127-G538 PolarHBondContact N-O 2.94Å; G127-G538 PolarHBondContact O-N 3.19Å; G127-G538 VanDerWaalsContact O-O 3.14Å; G538-F540 WeakPolarHBondContact O-CD2 3.33Å
539D96.3Very high90.4Very high73 Ų7344.5 Ų44.539%0.3923%0.234SC..EExtended strand (participates in β ladder)trans-97126.8176.1-63.1-63.5000110.9K126 A575K126-D539 WeakPolarHBondContact CA-OD1 3.42Å; K126-D539 WeakPolarHBondContact CB-OD1 3.43Å; K126-D539 WeakPolarHBondContact CG-OD1 3.37Å; D539-A575 HydrophobicContact CB-CB 3.71Å; D539-A575 PolarHBondContact O-N 3.24Å
540F96.9Very high91.4Very high2 Ų241.4 Ų41.41%0.00921%0.213CC..EExtended strand (participates in β ladder)trans-116.4144.5-178.2-62.4-96.7000110.6W90 S124 Y125 L129 I536 G538 V543 F572 V573W90-F540 HydrophobicContact CH2-CD2 4.31Å; W90-F540 HydrophobicContact CZ3-CB 3.83Å; W90-F540 AromaticContact CZ3-CD2 3.88Å; W90-F540 HydrophobicContact CZ3-CD2 3.88Å; W90-F540 HydrophobicContact CZ3-CG 4.04Å; S124-F540 CarbonylContact C-O 3.58Å; S124-F540 WeakPolarHBondContact CA-O 3.36Å; Y125-F540 PolarHBondContact N-O 3.13Å; Y125-F540 PolarHBondContact O-N 3.06Å; L129-F540 HydrophobicContact CB-CZ 4.2Å; L129-F540 HydrophobicContact CD2-CE1 4.42Å; I536-F540 HydrophobicContact CB-CZ 4.47Å; I536-F540 HydrophobicContact CG2-CE1 4.47Å; I536-F540 HydrophobicContact CG2-CZ 3.92Å; G538-F540 WeakPolarHBondContact O-CD2 3.33Å; F540-V543 HydrophobicContact CB-CG2 4.32Å; F540-V543 HydrophobicContact CD1-CG2 3.81Å; F540-V543 HydrophobicContact CE1-CG2 4.27Å; F540-V543 HydrophobicContact CG-CG2 4.06Å; F540-F572 HydrophobicContact CD1-CB 4.16Å; F540-F572 HydrophobicContact CD1-CD2 4.21Å; F540-F572 HydrophobicContact CE1-CB 4.23Å; F540-F572 AromaticContact CE1-CD2 3.75Å; F540-F572 HydrophobicContact CE1-CD2 3.75Å; F540-F572 HydrophobicContact CE1-CE2 4.42Å; F540-F572 HydrophobicContact CE1-CG 4.17Å; F540-V573 CarbonylContact C-O 3.56Å; F540-V573 WeakPolarHBondContact CA-O 3.4Å
541V96.4Very high92.7Very high4 Ų436.5 Ų36.52%0.02418%0.182CC..EExtended strand (participates in β ladder)trans-80.9-40.6165171.90000109.8F92 L122 V573 I577 L582F92-V541 HydrophobicContact CB-CG1 4.07Å; F92-V541 WeakPolarHBondContact CB-O 3.44Å; F92-V541 HydrophobicContact CD2-CG1 4.4Å; F92-V541 PolarHBondContact N-O 3.29Å; L122-V541 HydrophobicContact CD1-CG1 3.75Å; L122-V541 HydrophobicContact CD2-CG2 4.28Å; L122-V541 HydrophobicContact CG-CG1 4.32Å; V541-V573 HydrophobicContact CB-CB 4.35Å; V541-V573 HydrophobicContact CB-CG1 4.27Å; V541-V573 PolarHBondContact N-O 3.29Å; V541-I577 HydrophobicContact CG2-CG2 3.95Å; V541-L582 HydrophobicContact CG1-CD2 4.12Å
542L95.8Very high93.8Very high6 Ų625.6 Ų25.63%0.03114%0.144CC..EExtended strand (participates in β ladder)trans-153.9153.6174.569.597.7000112.4W90 F92 V93 L544 F572 V573W90-L542 WeakPolarHBondContact O-CA 3.32Å; F92-L542 HydrophobicContact CB-CB 3.92Å; F92-L542 HydrophobicContact CB-CD2 4.16Å; V93-L542 HydrophobicContact CG2-CD2 4.37Å; L542-L544 HydrophobicContact CD1-CB 3.87Å; L542-F572 WeakPolarHBondContact O-CA 3.32Å; L542-V573 HydrophobicContact CD1-CG2 4.15Å; L542-V573 HydrophobicContact CD2-CB 4.3Å; L542-V573 HydrophobicContact CD2-CG2 3.87Å; L542-V573 HydrophobicContact CG-CB 4.01Å; L542-V573 HydrophobicContact CG-CG2 3.82Å; L542-V573 PolarHBondContact N-O 2.86Å; L542-V573 PolarHBondContact O-N 3.29Å
543V97.2Very high94.1Very high3 Ų321.4 Ų21.42%0.01812%0.123CC..EExtended strand (participates in β ladder)trans-127.6129.3159.6178.70000107.1A89 W90 L129 F540 L570 F572A89-V543 WeakPolarHBondContact CA-O 3.25Å; W90-V543 HydrophobicContact CE3-CB 3.97Å; W90-V543 HydrophobicContact CE3-CG2 3.63Å; W90-V543 HydrophobicContact CZ3-CG2 3.93Å; W90-V543 PolarHBondContact N-O 2.99Å; W90-V543 PolarHBondContact O-N 3.18Å; L129-V543 HydrophobicContact CD1-CG1 4.05Å; L129-V543 HydrophobicContact CD2-CG1 3.73Å; L129-V543 HydrophobicContact CD2-CG2 3.95Å; F540-V543 HydrophobicContact CB-CG2 4.32Å; F540-V543 HydrophobicContact CD1-CG2 3.81Å; F540-V543 HydrophobicContact CE1-CG2 4.27Å; F540-V543 HydrophobicContact CG-CG2 4.06Å; V543-L570 HydrophobicContact CG1-CD1 3.73Å; V543-F572 HydrophobicContact CB-CB 4.46Å; V543-F572 HydrophobicContact CG1-CB 4.5Å; V543-F572 HydrophobicContact CG2-CB 3.95Å
544L96.6Very high94.1Very high2 Ų222.7 Ų22.71%0.0113%0.131CC..EExtended strand (participates in β ladder)trans-135110.9-175.6171.765.3000108.8A89 L542 L546 L551 T571A89-L544 HydrophobicContact CB-CD1 4Å; L542-L544 HydrophobicContact CD1-CB 3.87Å; L544-L546 HydrophobicContact CD1-CD1 4.49Å; L544-L546 HydrophobicContact CD1-CG 4.13Å; L544-L546 HydrophobicContact CD2-CD1 3.79Å; L544-L546 HydrophobicContact CD2-CG 4.31Å; L544-L546 HydrophobicContact CG-CD1 4.08Å; L544-L546 HydrophobicContact CG-CG 4.09Å; L544-L551 HydrophobicContact CD1-CD1 4.14Å; L544-L551 HydrophobicContact CD2-CD2 3.89Å; L544-T571 PolarHBondContact N-O 3.46Å; L544-T571 PolarHBondContact O-N 3.22Å
545A96.9Very high94.1Very high1 Ų121.6 Ų21.61%0.00812%0.123CC..EExtended strand (participates in β ladder)trans-92.3125.6166.100000108.9S87 V88 Y547 I568 L570 F610S87-A545 CarbonylContact C-O 3.53Å; S87-A545 WeakPolarHBondContact CA-O 3.44Å; S87-A545 VanDerWaalsContact CB-O 3.3Å; S87-A545 WeakPolarHBondContact CB-O 3.4Å; V88-A545 HydrophobicContact CB-CB 4.3Å; V88-A545 PolarHBondContact N-O 3.13Å; V88-A545 PolarHBondContact O-N 3.23Å; A545-Y547 HydrophobicContact CB-CE1 4.22Å; A545-I568 HydrophobicContact CB-CG2 3.59Å; A545-L570 HydrophobicContact CB-CD1 4.15Å; A545-F610 HydrophobicContact CB-CD1 4.22Å; A545-F610 HydrophobicContact CB-CE1 3.37Å; A545-F610 HydrophobicContact CB-CZ 3.66Å
546L95.4Very high94Very high0 Ų019 Ų190%011%0.106CC..EExtended strand (participates in β ladder)trans-119.4141.2174.8-85.9161.7000110.7L544 L551 A557 A558 H569L544-L546 HydrophobicContact CD1-CD1 4.49Å; L544-L546 HydrophobicContact CD1-CG 4.13Å; L544-L546 HydrophobicContact CD2-CD1 3.79Å; L544-L546 HydrophobicContact CD2-CG 4.31Å; L544-L546 HydrophobicContact CG-CD1 4.08Å; L544-L546 HydrophobicContact CG-CG 4.09Å; L546-L551 HydrophobicContact CD1-CB 4.4Å; L546-L551 HydrophobicContact CD2-CB 4.31Å; L546-L551 HydrophobicContact CD2-CD1 4.29Å; L546-A557 HydrophobicContact CD1-CB 3.38Å; L546-A558 HydrophobicContact CB-CB 4.32Å; L546-A558 HydrophobicContact CD1-CB 4.26Å; L546-H569 PolarHBondContact N-O 3Å; L546-H569 PolarHBondContact O-N 2.97Å
547Y94.1Very high93.8Very high9 Ų918.1 Ų18.14%0.03510%0.101CC..SBendtrans-109.9-15.6173-37.5-41.7000110.9V62 S84 L86 V88 A545 I568V62-Y547 HydrophobicContact CB-CD2 4.12Å; V62-Y547 HydrophobicContact CB-CE1 4.22Å; V62-Y547 HydrophobicContact CB-CE2 3.58Å; V62-Y547 HydrophobicContact CG1-CE1 4.28Å; V62-Y547 HydrophobicContact CG1-CE2 4.21Å; V62-Y547 HydrophobicContact CG2-CD1 3.64Å; V62-Y547 HydrophobicContact CG2-CD2 3.6Å; V62-Y547 HydrophobicContact CG2-CE1 3.59Å; V62-Y547 HydrophobicContact CG2-CE2 3.5Å; V62-Y547 VanDerWaalsContact CG2-CE2 3.5Å; V62-Y547 HydrophobicContact CG2-CG 3.68Å; S84-Y547 WeakPolarHBondContact OG-CE2 3.3Å; L86-Y547 PolarHBondContact O-N 3.37Å; V88-Y547 WeakPolarHBondContact CG2-OH 3.38Å; A545-Y547 HydrophobicContact CB-CE1 4.22Å; Y547-I568 HydrophobicContact CD1-CB 4.25Å; Y547-I568 HydrophobicContact CD1-CG1 3.84Å; Y547-I568 HydrophobicContact CD1-CG2 4.11Å; Y547-I568 HydrophobicContact CE1-CB 4.13Å; Y547-I568 HydrophobicContact CE1-CD1 3.97Å; Y547-I568 HydrophobicContact CE1-CG1 3.63Å; Y547-I568 HydrophobicContact CE1-CG2 3.7Å
548Q93.9Very high93.7Very high1 Ų113.5 Ų13.51%0.0058%0.08CC..SBendtrans-116.3158.3178-50.2-51.7-35.100110.8L25 F85 L86 H550 F563L25-Q548 HydrophobicContact CD1-CG 4.25Å; F85-Q548 WeakPolarHBondContact O-CG 3.43Å; F85-Q548 PolarHBondContact O-NE2 2.95Å; L86-Q548 HydrophobicContact CD1-CB 3.95Å; L86-Q548 HydrophobicContact CD1-CG 3.97Å; Q548-H550 PolarHBondContact O-N 3.38Å; Q548-F563 VanDerWaalsContact OE1-CE1 3.32Å
549S93.1Very high93.4Very high0 Ų014.7 Ų14.70%08%0.084CC..SBendtrans-70.2-20.4-175.956.10000113.8Y32 H556 A557 A558Y32-S549 WeakPolarHBondContact OH-CB 3.43Å; Y32-S549 PolarHBondContact OH-OG 3.3Å; S549-H556 CarbonylContact O-C 3.54Å; S549-H556 PolarHBondContact O-CD2 3.48Å; S549-H556 VanDerWaalsContact O-CD2 3.28Å; S549-A557 PolarHBondContact O-N 3.33Å; S549-A558 VanDerWaalsContact CA-O 3.25Å; S549-A558 WeakPolarHBondContact CA-O 3.43Å; S549-A558 WeakPolarHBondContact CB-O 3.35Å; S549-A558 PolarHBondContact O-N 2.95Å
550H94.2Very high93Very high4 Ų415 Ų152%0.0198%0.083CC..  trans-115139.3-178.6-67.263.9000111.6S28 H31 L86 Q548 G552 L555 H556S28-H550 WeakPolarHBondContact OG-CB 3.16Å; S28-H550 PolarHBondContact OG-N 3.08Å; H31-H550 AromaticContact CG-CE1 3.91Å; L86-H550 WeakPolarHBondContact CD1-O 3.37Å; Q548-H550 PolarHBondContact O-N 3.38Å; H550-G552 WeakPolarHBondContact CB-O 3.45Å; H550-L555 CarbonylContact C-O 3.54Å; H550-L555 WeakPolarHBondContact CA-O 3.42Å; H550-H556 AromaticContact CE1-CD2 3.24Å; H550-H556 PolarHBondContact CE1-CD2 3.5Å; H550-H556 AromaticContact CE1-CG 3.96Å; H550-H556 AromaticContact CE1-NE2 3.76Å; H550-H556 AromaticContact ND1-CD2 3.57Å; H550-H556 AromaticContact NE2-CD2 3.76Å
551L93Very high92.8Very high30 Ų3015.1 Ų15.116%0.1578%0.084CC..SBendtrans-93.8-25.5167.2176.961.7000111.6A24 V93 L544 L546 L555 A557A24-L551 VanDerWaalsContact CB-C 3.49Å; A24-L551 VanDerWaalsContact CB-O 3.31Å; A24-L551 WeakPolarHBondContact CB-O 3.45Å; V93-L551 HydrophobicContact CG1-CD1 4.39Å; V93-L551 HydrophobicContact CG1-CD2 3.97Å; V93-L551 HydrophobicContact CG2-CD2 4.48Å; L544-L551 HydrophobicContact CD1-CD1 4.14Å; L544-L551 HydrophobicContact CD2-CD2 3.89Å; L546-L551 HydrophobicContact CD1-CB 4.4Å; L546-L551 HydrophobicContact CD2-CB 4.31Å; L546-L551 HydrophobicContact CD2-CD1 4.29Å; L551-L555 HydrophobicContact CB-CD2 4.09Å; L551-L555 HydrophobicContact CB-CG 4.44Å; L551-L555 HydrophobicContact CD2-CD2 3.86Å; L551-L555 HydrophobicContact CG-CD2 4.15Å; L551-L555 PolarHBondContact N-O 3.34Å; L551-A557 HydrophobicContact CB-CB 3.65Å
552G90.8Very high92.5Very high11 Ų1122.7 Ų22.711%0.11311%0.112CC..BIsolated β-bridgetrans-145.5162.8172.200000108.7H550 D554 L555H550-G552 WeakPolarHBondContact CB-O 3.45Å; G552-D554 PolarHBondContact O-N 2.91Å; G552-D554 VanDerWaalsContact O-N 3.08Å; G552-L555 PolarHBondContact O-N 3.38Å
553A88.1Confident92.2Very high9 Ų923.2 Ų23.27%0.07411%0.114CC..THydrogen-bonded Turntrans-64.2-16.4-178.100000113.6N23 L39 L43N23-A553 HydrophobicContact CB-CB 4.18Å; L39-A553 HydrophobicContact CD2-CB 3.68Å; L43-A553 HydrophobicContact CD2-CB 3.71Å
554D88.5Confident91.8Very high48 Ų4827.1 Ų27.126%0.25713%0.134SC..THydrogen-bonded Turntrans-105.74.1176.147-7.5000113.4L39 G552 E590L39-D554 HydrophobicContact CD1-CB 4.19Å; L39-D554 HydrophobicContact CD2-CB 3.92Å; G552-D554 PolarHBondContact O-N 2.91Å; G552-D554 VanDerWaalsContact O-N 3.08Å; D554-E590 WeakPolarHBondContact O-CA 3.47Å
555L90.8Very high91.5Very high36 Ų3628.9 Ų28.919%0.18814%0.144CC..BIsolated β-bridgetrans-136.788.3-166.7-166.165.5000112.2H550 L551 G552 A557 M589H550-L555 CarbonylContact C-O 3.54Å; H550-L555 WeakPolarHBondContact CA-O 3.42Å; L551-L555 HydrophobicContact CB-CD2 4.09Å; L551-L555 HydrophobicContact CB-CG 4.44Å; L551-L555 HydrophobicContact CD2-CD2 3.86Å; L551-L555 HydrophobicContact CG-CD2 4.15Å; L551-L555 PolarHBondContact N-O 3.34Å; G552-L555 PolarHBondContact O-N 3.38Å; L555-A557 VanDerWaalsContact C-N 3.3Å; L555-A557 PolarHBondContact O-N 2.95Å; L555-M589 HydrophobicContact CD1-CB 3.47Å; L555-M589 VanDerWaalsContact CD1-CB 3.47Å; L555-M589 HydrophobicContact CG-CB 4.32Å; L555-M589 HydrophobicContact CG-CE 4.42Å
556H91.1Very high91.2Very high22 Ų2229.1 Ų29.110%0.10215%0.147CC..  trans-77.973.4-177.8-165.6-156.7000111.6H31 S549 H550 M589 G592 H594H31-H556 AromaticContact CE1-CE1 3.75Å; S549-H556 CarbonylContact O-C 3.54Å; S549-H556 PolarHBondContact O-CD2 3.48Å; S549-H556 VanDerWaalsContact O-CD2 3.28Å; H550-H556 AromaticContact CE1-CD2 3.24Å; H550-H556 PolarHBondContact CE1-CD2 3.5Å; H550-H556 AromaticContact CE1-CG 3.96Å; H550-H556 AromaticContact CE1-NE2 3.76Å; H550-H556 AromaticContact ND1-CD2 3.57Å; H550-H556 AromaticContact NE2-CD2 3.76Å; H556-M589 CarbonylContact C-O 3.49Å; H556-M589 WeakPolarHBondContact CA-O 3.33Å; H556-M589 PolarHBondContact N-O 3.19Å; H556-G592 WeakPolarHBondContact O-CA 3.41Å; H556-H594 PolarHBondContact O-CE1 3.46Å
557A91Very high91Very high1 Ų131.1 Ų31.11%0.00816%0.157CC..  trans-80.5-14.6-168.200000116.2L546 S549 L551 L555 M589 H594L546-A557 HydrophobicContact CD1-CB 3.38Å; S549-A557 PolarHBondContact O-N 3.33Å; L551-A557 HydrophobicContact CB-CB 3.65Å; L555-A557 VanDerWaalsContact C-N 3.3Å; L555-A557 PolarHBondContact O-N 2.95Å; A557-M589 HydrophobicContact CB-CE 3.44Å; A557-M589 VanDerWaalsContact CB-CE 3.44Å; A557-H594 PolarHBondContact O-CE1 3.47Å; A557-H594 VanDerWaalsContact O-CE1 3.3Å; A557-H594 PolarHBondContact O-NE2 2.95Å
558A92Very high91Very high0 Ų030.7 Ų30.70%016%0.155CC..  trans-145.872.8175.500000112.5L546 S549 Q560 A561 H569L546-A558 HydrophobicContact CB-CB 4.32Å; L546-A558 HydrophobicContact CD1-CB 4.26Å; S549-A558 VanDerWaalsContact CA-O 3.25Å; S549-A558 WeakPolarHBondContact CA-O 3.43Å; S549-A558 WeakPolarHBondContact CB-O 3.35Å; S549-A558 PolarHBondContact O-N 2.95Å; A558-Q560 PolarHBondContact O-N 3.08Å; A558-A561 HydrophobicContact CB-CB 4.17Å; A558-A561 VanDerWaalsContact O-CB 3.29Å; A558-A561 WeakPolarHBondContact O-CB 3.39Å; A558-A561 PolarHBondContact O-N 3.1Å; A558-H569 HydrophobicContact CB-CB 4.02Å
559P88.8Confident91.1Very high47 Ų4730.8 Ų30.831%0.30516%0.156SC..THydrogen-bonded Turntrans-59.3-21.1-174-24.634000115.9G592P559-G592 WeakPolarHBondContact CG-O 3.22Å
560Q88.8Confident91.2Very high80 Ų8030.8 Ų30.837%0.37416%0.156SC..THydrogen-bonded Turntrans-82.3-12.8177.870.9-80.28.400114.3A558 H569 H595A558-Q560 PolarHBondContact O-N 3.08Å; Q560-H569 PolarHBondContact NE2-ND1 3.39Å; Q560-H595 PolarHBondContact OE1-CE1 3.22Å
561A91.3Very high91.2Very high3 Ų331 Ų313%0.02516%0.157CC..  trans-66.1161.6-17700000112.8Y32 A558Y32-A561 VanDerWaalsContact OH-C 3.25Å; Y32-A561 PolarHBondContact OH-O 3.11Å; A558-A561 HydrophobicContact CB-CB 4.17Å; A558-A561 VanDerWaalsContact O-CB 3.29Å; A558-A561 WeakPolarHBondContact O-CB 3.39Å; A558-A561 PolarHBondContact O-N 3.1Å
562R90.8Very high91.4Very high163 Ų16329.8 Ų29.862%0.61515%0.151SC*.  trans-139.9166.1165.8-57.1-175178.3-169.60.6109.8Y32 D564 D565Y32-R562 WeakPolarHBondContact OH-CA 3.31Å; R562-D564 PolarHBondContact O-N 2.95Å; R562-D565 HydrophobicContact CB-CB 4.09Å; R562-D565 PolarHBondContact N-OD2 3.27Å
563F90Very high91.6Very high18 Ų1829.3 Ų29.38%0.07915%0.146CC..THydrogen-bonded Turntrans-64.6-21.9174.9-65.9-52000113.8L25 I29 Y32 R57 P58 L59 D60 Q548L25-F563 HydrophobicContact CD1-CE1 4.05Å; I29-F563 HydrophobicContact CB-CZ 4.38Å; I29-F563 HydrophobicContact CG1-CE1 4.19Å; I29-F563 HydrophobicContact CG1-CE2 4.4Å; I29-F563 HydrophobicContact CG1-CZ 3.52Å; Y32-F563 HydrophobicContact CD2-CD1 4.46Å; Y32-F563 AromaticContact CD2-CD2 3.94Å; Y32-F563 HydrophobicContact CD2-CD2 3.94Å; Y32-F563 AromaticContact CD2-CE1 3.88Å; Y32-F563 HydrophobicContact CD2-CE1 3.88Å; Y32-F563 AromaticContact CD2-CE2 3.27Å; Y32-F563 HydrophobicContact CD2-CE2 3.27Å; Y32-F563 HydrophobicContact CD2-CG 4.49Å; Y32-F563 AromaticContact CD2-CZ 3.24Å; Y32-F563 HydrophobicContact CD2-CZ 3.24Å; Y32-F563 HydrophobicContact CE2-CD1 4.1Å; Y32-F563 HydrophobicContact CE2-CD2 4.21Å; Y32-F563 AromaticContact CE2-CE1 3.73Å; Y32-F563 HydrophobicContact CE2-CE1 3.73Å; Y32-F563 AromaticContact CE2-CE2 3.86Å; Y32-F563 HydrophobicContact CE2-CE2 3.86Å; Y32-F563 HydrophobicContact CE2-CG 4.32Å; Y32-F563 AromaticContact CE2-CZ 3.61Å; Y32-F563 HydrophobicContact CE2-CZ 3.61Å; Y32-F563 AromaticContact CG-CE2 3.96Å; Y32-F563 HydrophobicContact CG-CE2 3.96Å; Y32-F563 HydrophobicContact CG-CZ 4.31Å; R57-F563 HydrophobicContact CB-CD2 4.5Å; P58-F563 VanDerWaalsContact O-CB 3.26Å; P58-F563 WeakPolarHBondContact O-CB 3.28Å; L59-F563 CarbonylContact C-O 3.6Å; L59-F563 WeakPolarHBondContact CA-O 3.45Å; L59-F563 HydrophobicContact CD1-CB 4Å; L59-F563 HydrophobicContact CD1-CD1 3.41Å; L59-F563 VanDerWaalsContact CD1-CD1 3.41Å; L59-F563 HydrophobicContact CD1-CE1 4.17Å; L59-F563 HydrophobicContact CD1-CG 4.06Å; D60-F563 PolarHBondContact N-O 3.11Å; Q548-F563 VanDerWaalsContact OE1-CE1 3.32Å
564D89.5Confident92Very high84 Ų8434 Ų3445%0.44916%0.162SC..THydrogen-bonded Turntrans-138.719.6-165.358.8-17.9000114P58 D60 R562 G566P58-D564 HydrophobicContact CB-CB 4.41Å; P58-D564 HydrophobicContact CG-CB 3.92Å; D60-D564 WeakPolarHBondContact OD2-CA 3.42Å; R562-D564 PolarHBondContact O-N 2.95Å; D564-G566 VanDerWaalsContact C-N 3.28Å; D564-G566 PolarHBondContact O-N 2.99Å
565D89.4Confident92.3Very high40 Ų4033.3 Ų33.321%0.21416%0.163CC..SBendtrans-69.9-22.8179.961.526.1000113.3R562 L567 H569 K639R562-D565 HydrophobicContact CB-CB 4.09Å; R562-D565 PolarHBondContact N-OD2 3.27Å; D565-L567 HydrophobicContact CB-CD1 4.39Å; D565-L567 HydrophobicContact CB-CG 4.43Å; D565-L567 WeakPolarHBondContact OD1-CA 3.29Å; D565-L567 WeakPolarHBondContact OD1-CB 3.23Å; D565-L567 PolarHBondContact OD1-N 3.38Å; D565-H569 IonicContact OD1-NE2 2.66Å; D565-H569 IonicContact OD2-CD2 2.65Å; D565-H569 IonicContact OD2-CE1 3.43Å; D565-H569 IonicContact OD2-NE2 3.6Å; D565-H569 PolarHBondContact OD2-NE2 3.49Å; D565-K639 PolarHBondContact O-NZ 3.21Å
566G89.6Confident92.3Very high6 Ų634.3 Ų34.36%0.06218%0.182CC..  trans79.320.8-174.600000115D60 D564 K639D60-G566 WeakPolarHBondContact OD2-CA 3.24Å; D60-G566 PolarHBondContact OD2-N 2.81Å; D564-G566 VanDerWaalsContact C-N 3.28Å; D564-G566 PolarHBondContact O-N 2.99Å; G566-K639 VanDerWaalsContact CA-NZ 3.28Å
567L92.6Very high92.5Very high41 Ų4133.8 Ų33.822%0.21518%0.18CC..  trans-124.3154.3-171.8-57.3173.7000112.3P134 D565P134-L567 HydrophobicContact CB-CD2 3.96Å; P134-L567 HydrophobicContact CG-CD2 4.47Å; D565-L567 HydrophobicContact CB-CD1 4.39Å; D565-L567 HydrophobicContact CB-CG 4.43Å; D565-L567 WeakPolarHBondContact OD1-CA 3.29Å; D565-L567 WeakPolarHBondContact OD1-CB 3.23Å; D565-L567 PolarHBondContact OD1-N 3.38Å
568I94.6Very high92.6Very high0 Ų036.8 Ų36.80%020%0.2CC..EExtended strand (participates in β ladder)trans-106123.8166-60.9177.2000107V62 A545 Y547 L570 S606 C607 F610 V637V62-I568 HydrophobicContact CG1-CD1 4.11Å; V62-I568 HydrophobicContact CG2-CD1 4.42Å; V62-I568 HydrophobicContact CG2-CG1 4.37Å; A545-I568 HydrophobicContact CB-CG2 3.59Å; Y547-I568 HydrophobicContact CD1-CB 4.25Å; Y547-I568 HydrophobicContact CD1-CG1 3.84Å; Y547-I568 HydrophobicContact CD1-CG2 4.11Å; Y547-I568 HydrophobicContact CE1-CB 4.13Å; Y547-I568 HydrophobicContact CE1-CD1 3.97Å; Y547-I568 HydrophobicContact CE1-CG1 3.63Å; Y547-I568 HydrophobicContact CE1-CG2 3.7Å; I568-L570 PolarHBondContact O-N 3.43Å; I568-S606 CarbonylContact O-C 3.48Å; I568-S606 VanDerWaalsContact O-CA 3.28Å; I568-S606 WeakPolarHBondContact O-CA 3.48Å; I568-C607 PolarHBondContact N-O 3.29Å; I568-C607 PolarHBondContact O-N 3.17Å; I568-F610 HydrophobicContact CD1-CD1 3.78Å; I568-F610 HydrophobicContact CD1-CE1 4Å; I568-F610 HydrophobicContact CG2-CD1 4.04Å; I568-F610 HydrophobicContact CG2-CE1 4.1Å; I568-V637 HydrophobicContact CD1-CG2 4Å; I568-V637 HydrophobicContact CG1-CG2 3.5Å; I568-V637 VanDerWaalsContact CG1-CG2 3.5Å
569H95.1Very high92.8Very high4 Ų443.5 Ų43.52%0.01923%0.226CC..EExtended strand (participates in β ladder)trans-91.395.9176.2-60.6-77.1000108.3L546 A558 Q560 D565 S606L546-H569 PolarHBondContact N-O 3Å; L546-H569 PolarHBondContact O-N 2.97Å; A558-H569 HydrophobicContact CB-CB 4.02Å; Q560-H569 PolarHBondContact NE2-ND1 3.39Å; D565-H569 IonicContact OD1-NE2 2.66Å; D565-H569 IonicContact OD2-CD2 2.65Å; D565-H569 IonicContact OD2-CE1 3.43Å; D565-H569 IonicContact OD2-NE2 3.6Å; D565-H569 PolarHBondContact OD2-NE2 3.49Å; H569-S606 PolarHBondContact CE1-OG 3.07Å; H569-S606 PolarHBondContact ND1-OG 2.94Å; H569-S606 VanDerWaalsContact ND1-OG 3.12Å
570L95.4Very high93Very high0 Ų044.4 Ų44.40%024%0.237CC..EExtended strand (participates in β ladder)trans-94106.1-172.4-17865.1000109.7L129 Y131 V543 A545 I568 F572 V605 F610L129-L570 HydrophobicContact CD1-CD1 4.46Å; L129-L570 HydrophobicContact CD1-CD2 4.22Å; L129-L570 HydrophobicContact CD2-CD1 4.47Å; L129-L570 HydrophobicContact CD2-CD2 4.14Å; L129-L570 HydrophobicContact CD2-CG 4.48Å; L129-L570 HydrophobicContact CG-CD2 4.38Å; Y131-L570 HydrophobicContact CD1-CD2 4Å; Y131-L570 HydrophobicContact CG-CD2 3.99Å; V543-L570 HydrophobicContact CG1-CD1 3.73Å; A545-L570 HydrophobicContact CB-CD1 4.15Å; I568-L570 PolarHBondContact O-N 3.43Å; L570-F572 HydrophobicContact CG-CD1 4.45Å; L570-V605 WeakPolarHBondContact CA-O 3.38Å; L570-V605 HydrophobicContact CB-CG2 3.93Å; L570-V605 WeakPolarHBondContact CB-O 3.49Å; L570-V605 HydrophobicContact CD2-CG2 4.02Å; L570-V605 HydrophobicContact CG-CG2 4.22Å; L570-V605 PolarHBondContact N-O 2.92Å; L570-V605 PolarHBondContact O-N 3.22Å; L570-F610 HydrophobicContact CD2-CB 4.46Å
571T94.9Very high93.2Very high8 Ų841.3 Ų41.35%0.04922%0.224CC..EExtended strand (participates in β ladder)trans-101.3127.4173.2-62.40000109.3L544 S603 H604L544-T571 PolarHBondContact N-O 3.46Å; L544-T571 PolarHBondContact O-N 3.22Å; T571-S603 WeakPolarHBondContact CA-O 3.48Å; T571-H604 VanDerWaalsContact CG2-CE1 3.44Å; T571-H604 WeakPolarHBondContact CG2-CE1 3.4Å; T571-H604 WeakPolarHBondContact CG2-ND1 3.44Å; T571-H604 PolarHBondContact OG1-ND1 3.34Å
572F95.5Very high93.4Very high4 Ų441.2 Ų41.22%0.01822%0.222CC..EExtended strand (participates in β ladder)trans-133.8150.317359.6-93000111.8L129 I536 F540 L542 V543 L570 S603 V605L129-F572 HydrophobicContact CD2-CB 4.22Å; L129-F572 HydrophobicContact CD2-CD1 3.82Å; L129-F572 HydrophobicContact CD2-CE1 4.41Å; L129-F572 HydrophobicContact CD2-CG 4.09Å; I536-F572 HydrophobicContact CD1-CE1 4.11Å; I536-F572 HydrophobicContact CD1-CE2 3.92Å; I536-F572 HydrophobicContact CD1-CZ 3.37Å; F540-F572 HydrophobicContact CD1-CB 4.16Å; F540-F572 HydrophobicContact CD1-CD2 4.21Å; F540-F572 HydrophobicContact CE1-CB 4.23Å; F540-F572 AromaticContact CE1-CD2 3.75Å; F540-F572 HydrophobicContact CE1-CD2 3.75Å; F540-F572 HydrophobicContact CE1-CE2 4.42Å; F540-F572 HydrophobicContact CE1-CG 4.17Å; L542-F572 WeakPolarHBondContact O-CA 3.32Å; V543-F572 HydrophobicContact CB-CB 4.46Å; V543-F572 HydrophobicContact CG1-CB 4.5Å; V543-F572 HydrophobicContact CG2-CB 3.95Å; L570-F572 HydrophobicContact CG-CD1 4.45Å; F572-S603 VanDerWaalsContact CE2-CB 3.44Å; F572-S603 PolarHBondContact N-O 2.97Å; F572-S603 PolarHBondContact O-N 3.14Å; F572-V605 HydrophobicContact CE1-CG2 4.19Å
573V96Very high93.5Very high1 Ų136 Ų361%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-126.5122.3179.2-174.50000108.7F540 V541 L542 I577 L585 Y601 V602F540-V573 CarbonylContact C-O 3.56Å; F540-V573 WeakPolarHBondContact CA-O 3.4Å; V541-V573 HydrophobicContact CB-CB 4.35Å; V541-V573 HydrophobicContact CB-CG1 4.27Å; V541-V573 PolarHBondContact N-O 3.29Å; L542-V573 HydrophobicContact CD1-CG2 4.15Å; L542-V573 HydrophobicContact CD2-CB 4.3Å; L542-V573 HydrophobicContact CD2-CG2 3.87Å; L542-V573 HydrophobicContact CG-CB 4.01Å; L542-V573 HydrophobicContact CG-CG2 3.82Å; L542-V573 PolarHBondContact N-O 2.86Å; L542-V573 PolarHBondContact O-N 3.29Å; V573-I577 HydrophobicContact CG1-CB 4.11Å; V573-I577 HydrophobicContact CG1-CD1 3.63Å; V573-I577 HydrophobicContact CG1-CG1 4.48Å; V573-I577 HydrophobicContact CG1-CG2 3.75Å; V573-L585 HydrophobicContact CG2-CD2 4.39Å; V573-Y601 CarbonylContact C-O 3.49Å; V573-Y601 VanDerWaalsContact CA-O 3.32Å; V573-Y601 WeakPolarHBondContact CA-O 3.44Å; V573-V602 HydrophobicContact CG1-CG2 4.33Å; V573-V602 HydrophobicContact CG2-CG1 4.38Å; V573-V602 HydrophobicContact CG2-CG2 4.23Å
574R95.5Very high93.6Very high108 Ų10841.8 Ų41.841%0.40823%0.228SC..EExtended strand (participates in β ladder)trans-77.2155.6177.3-68.8178.8172.9171-2111.6Y601R574-Y601 HydrophobicContact CB-CD1 4.45Å; R574-Y601 PolarHBondContact N-O 3.16Å
575A94.8Very high93.8Very high34 Ų3438 Ų3828%0.28121%0.208SC..THydrogen-bonded Turntrans-59.2154167.200000111.1D539 Y601D539-A575 HydrophobicContact CB-CB 3.71Å; D539-A575 PolarHBondContact O-N 3.24Å; A575-Y601 VanDerWaalsContact O-CD1 3.27Å; A575-Y601 WeakPolarHBondContact O-CD1 3.33Å; A575-Y601 WeakPolarHBondContact O-CE1 3.37Å
576G92.1Very high93.9Very high57 Ų5737.3 Ų37.359%0.58820%0.203SC*.THydrogen-bonded Turntrans96.4-13.6-173.800000114.9S578G576-S578 PolarHBondContact O-N 2.97Å
577I94.5Very high94Very high11 Ų1143.1 Ų43.16%0.05623%0.226CC..  trans-60.5133.3172.1-166.2170.3000111.5V541 V573 T581 L582 Y601 V602V541-I577 HydrophobicContact CG2-CG2 3.95Å; V573-I577 HydrophobicContact CG1-CB 4.11Å; V573-I577 HydrophobicContact CG1-CD1 3.63Å; V573-I577 HydrophobicContact CG1-CG1 4.48Å; V573-I577 HydrophobicContact CG1-CG2 3.75Å; I577-T581 HydrophobicContact CD1-CG2 4.18Å; I577-T581 HydrophobicContact CG1-CG2 4.18Å; I577-L582 HydrophobicContact CD1-CB 4.22Å; I577-L582 HydrophobicContact CD1-CD1 4.5Å; I577-Y601 HydrophobicContact CB-CD2 4.33Å; I577-Y601 HydrophobicContact CB-CG 4.03Å; I577-V602 HydrophobicContact CD1-CG2 3.78Å
578S94.3Very high93.9Very high64 Ų6442 Ų4245%0.44822%0.223SC..  trans-73.7141.4175.569.30000111.5G576 A580 T581 L582G576-S578 PolarHBondContact O-N 2.97Å; S578-A580 PolarHBondContact O-N 2.89Å; S578-A580 VanDerWaalsContact O-N 3.16Å; S578-T581 WeakPolarHBondContact O-CA 3.47Å; S578-T581 WeakPolarHBondContact O-CB 3.33Å; S578-T581 PolarHBondContact O-N 3.23Å; S578-T581 PolarHBondContact OG-OG1 3.39Å; S578-L582 PolarHBondContact O-N 3.34Å
579R94.8Very high93.7Very high141 Ų14142.5 Ų42.553%0.53223%0.226SC..Hα-helixtrans-53.1-38.3-178.6-65.5174.5-174.5176.41.4112.8I119 A120 L122 T581 L582 L583I119-R579 HydrophobicContact CG2-CB 3.96Å; I119-R579 VanDerWaalsContact O-CD 3.23Å; I119-R579 WeakPolarHBondContact O-CD 3.18Å; I119-R579 WeakPolarHBondContact O-CG 3.24Å; A120-R579 VanDerWaalsContact O-CZ 3.25Å; A120-R579 PolarHBondContact O-NH1 2.88Å; A120-R579 VanDerWaalsContact O-NH1 3.14Å; L122-R579 HydrophobicContact CD2-CG 4.42Å; R579-T581 VanDerWaalsContact C-N 3.35Å; R579-L582 PolarHBondContact O-N 3.37Å; R579-L583 WeakPolarHBondContact O-CB 3.36Å; R579-L583 PolarHBondContact O-N 2.97Å
580A93.4Very high93.3Very high65 Ų6546.2 Ų46.254%0.53724%0.243SC..Hα-helixtrans-69.2-27.8175.600000113.6S578 R584S578-A580 PolarHBondContact O-N 2.89Å; S578-A580 VanDerWaalsContact O-N 3.16Å; A580-R584 WeakPolarHBondContact O-CB 3.24Å; A580-R584 VanDerWaalsContact O-CG 3.25Å; A580-R584 WeakPolarHBondContact O-CG 3.42Å; A580-R584 PolarHBondContact O-N 3.34Å; A580-R584 VanDerWaalsContact O-N 3.11Å; A580-R584 PolarHBondContact O-NE 3.23Å
581T93.7Very high92.9Very high16 Ų1653.3 Ų53.310%0.09827%0.274CS..Hα-helixtrans-77-41.1173.7-55.10000111I577 S578 R579 L583 R584 L585I577-T581 HydrophobicContact CD1-CG2 4.18Å; I577-T581 HydrophobicContact CG1-CG2 4.18Å; S578-T581 WeakPolarHBondContact O-CA 3.47Å; S578-T581 WeakPolarHBondContact O-CB 3.33Å; S578-T581 PolarHBondContact O-N 3.23Å; S578-T581 PolarHBondContact OG-OG1 3.39Å; R579-T581 VanDerWaalsContact C-N 3.35Å; T581-L583 VanDerWaalsContact C-N 3.35Å; T581-L583 PolarHBondContact O-N 3.46Å; T581-R584 PolarHBondContact O-N 2.97Å; T581-R584 PolarHBondContact OG1-NH2 3.49Å; T581-L585 PolarHBondContact O-N 3.02Å
582L94.4Very high92.5Very high0 Ų053.2 Ų53.20%028%0.275CS..Hα-helixtrans-62-41.3173.1-175.761.9000111.8F92 I119 L122 V541 I577 S578 R579 L585 F586F92-L582 HydrophobicContact CD2-CD2 4.29Å; F92-L582 HydrophobicContact CE2-CD2 4.14Å; I119-L582 HydrophobicContact CG1-CD2 4.24Å; L122-L582 HydrophobicContact CD1-CD2 3.53Å; L122-L582 HydrophobicContact CD2-CD2 4.27Å; V541-L582 HydrophobicContact CG1-CD2 4.12Å; I577-L582 HydrophobicContact CD1-CB 4.22Å; I577-L582 HydrophobicContact CD1-CD1 4.5Å; S578-L582 PolarHBondContact O-N 3.34Å; R579-L582 PolarHBondContact O-N 3.37Å; L582-L585 HydrophobicContact CD1-CD2 4.49Å; L582-L585 WeakPolarHBondContact O-CB 3.32Å; L582-L585 PolarHBondContact O-N 3.21Å; L582-F586 HydrophobicContact CD1-CD2 4.26Å; L582-F586 HydrophobicContact CD1-CE2 3.65Å; L582-F586 HydrophobicContact CD1-CZ 4.31Å; L582-F586 HydrophobicContact CD2-CE2 4.4Å; L582-F586 HydrophobicContact CG-CD2 4.17Å; L582-F586 HydrophobicContact CG-CE2 3.76Å; L582-F586 WeakPolarHBondContact O-CD2 3.36Å; L582-F586 PolarHBondContact O-N 2.85Å; L582-F586 VanDerWaalsContact O-N 3.12Å
583L93.4Very high92.1Very high53 Ų5357.9 Ų57.928%0.27730%0.3SS..Hα-helixtrans-63.7-43.5174.6-176.162.3000112.3L116 I119 R579 T581 L585 F586 F587L116-L583 HydrophobicContact CD2-CD1 3.99Å; I119-L583 HydrophobicContact CD1-CB 4.11Å; I119-L583 HydrophobicContact CD1-CD1 3.76Å; R579-L583 WeakPolarHBondContact O-CB 3.36Å; R579-L583 PolarHBondContact O-N 2.97Å; T581-L583 VanDerWaalsContact C-N 3.35Å; T581-L583 PolarHBondContact O-N 3.46Å; L583-L585 VanDerWaalsContact C-N 3.31Å; L583-L585 PolarHBondContact O-N 3.44Å; L583-F586 PolarHBondContact O-N 3.32Å; L583-F587 HydrophobicContact CD1-CD2 4.16Å; L583-F587 HydrophobicContact CD1-CE2 3.65Å; L583-F587 HydrophobicContact CD1-CZ 4.24Å; L583-F587 HydrophobicContact CD2-CE2 4.15Å; L583-F587 HydrophobicContact CG-CD2 3.99Å; L583-F587 HydrophobicContact CG-CE2 3.65Å; L583-F587 WeakPolarHBondContact O-CD2 3.38Å; L583-F587 PolarHBondContact O-N 2.94Å; L583-F587 VanDerWaalsContact O-N 3.1Å
584R92.8Very high91.7Very high141 Ų14157.9 Ų57.953%0.53230%0.3SS..Hα-helixtrans-61.7-37.3173.3-76.2-178.4-58.7141.80.5112.3A580 T581 F587 A588A580-R584 WeakPolarHBondContact O-CB 3.24Å; A580-R584 VanDerWaalsContact O-CG 3.25Å; A580-R584 WeakPolarHBondContact O-CG 3.42Å; A580-R584 PolarHBondContact O-N 3.34Å; A580-R584 VanDerWaalsContact O-N 3.11Å; A580-R584 PolarHBondContact O-NE 3.23Å; T581-R584 PolarHBondContact O-N 2.97Å; T581-R584 PolarHBondContact OG1-NH2 3.49Å; R584-F587 PolarHBondContact O-N 3Å; R584-A588 WeakPolarHBondContact O-CB 3.47Å; R584-A588 PolarHBondContact O-N 3.31Å
585L92.8Very high91.1Very high5 Ų557 Ų573%0.02630%0.3CS..Hα-helixtrans-59.9-49.6175.6-167.675.3000110.5V573 T581 L582 L583 F587 A588 M589 H594 V597 V602V573-L585 HydrophobicContact CG2-CD2 4.39Å; T581-L585 PolarHBondContact O-N 3.02Å; L582-L585 HydrophobicContact CD1-CD2 4.49Å; L582-L585 WeakPolarHBondContact O-CB 3.32Å; L582-L585 PolarHBondContact O-N 3.21Å; L583-L585 VanDerWaalsContact C-N 3.31Å; L583-L585 PolarHBondContact O-N 3.44Å; L585-F587 PolarHBondContact O-N 3.42Å; L585-A588 CarbonylContact O-C 3.52Å; L585-A588 PolarHBondContact O-N 2.85Å; L585-A588 VanDerWaalsContact O-N 3.13Å; L585-M589 HydrophobicContact CG-SD 4.44Å; L585-M589 VanDerWaalsContact O-CG 3.3Å; L585-M589 WeakPolarHBondContact O-CG 3.43Å; L585-M589 PolarHBondContact O-N 3.19Å; L585-H594 HydrophobicContact CD1-CB 3.92Å; L585-H594 HydrophobicContact CG-CB 4.43Å; L585-V597 HydrophobicContact CD1-CB 4.19Å; L585-V597 HydrophobicContact CD1-CG1 4.49Å; L585-V602 HydrophobicContact CD1-CG1 4.28Å; L585-V602 HydrophobicContact CD1-CG2 4.43Å; L585-V602 HydrophobicContact CD2-CG1 4.14Å; L585-V602 HydrophobicContact CD2-CG2 4.04Å
586F91.6Very high90.5Very high24 Ų2460 Ų6011%0.10532%0.32CS..Hα-helixtrans-62.5-42.7178.2-74.7-62.5000113.4F92 T115 I119 L582 L583 A588 M589 E590F92-F586 HydrophobicContact CD1-CE2 4.05Å; F92-F586 AromaticContact CD1-CZ 3.67Å; F92-F586 HydrophobicContact CD1-CZ 3.67Å; F92-F586 HydrophobicContact CE1-CE1 4.44Å; F92-F586 AromaticContact CE1-CE2 3.46Å; F92-F586 HydrophobicContact CE1-CE2 3.46Å; F92-F586 VanDerWaalsContact CE1-CE2 3.46Å; F92-F586 AromaticContact CE1-CZ 3.39Å; F92-F586 HydrophobicContact CE1-CZ 3.39Å; F92-F586 AromaticContact CZ-CE2 3.84Å; F92-F586 HydrophobicContact CZ-CE2 3.84Å; F92-F586 HydrophobicContact CZ-CZ 4.24Å; T115-F586 HydrophobicContact CG2-CD2 3.97Å; T115-F586 HydrophobicContact CG2-CE2 4.2Å; T115-F586 HydrophobicContact CG2-CG 4.31Å; I119-F586 HydrophobicContact CD1-CD2 4.09Å; I119-F586 HydrophobicContact CD1-CE2 4.47Å; L582-F586 HydrophobicContact CD1-CD2 4.26Å; L582-F586 HydrophobicContact CD1-CE2 3.65Å; L582-F586 HydrophobicContact CD1-CZ 4.31Å; L582-F586 HydrophobicContact CD2-CE2 4.4Å; L582-F586 HydrophobicContact CG-CD2 4.17Å; L582-F586 HydrophobicContact CG-CE2 3.76Å; L582-F586 WeakPolarHBondContact O-CD2 3.36Å; L582-F586 PolarHBondContact O-N 2.85Å; L582-F586 VanDerWaalsContact O-N 3.12Å; L583-F586 PolarHBondContact O-N 3.32Å; F586-A588 VanDerWaalsContact C-N 3.28Å; F586-A588 PolarHBondContact O-N 2.96Å; F586-M589 HydrophobicContact CD1-SD 3.71Å; F586-M589 HydrophobicContact CE1-SD 4.03Å; F586-M589 WeakPolarHBondContact O-CB 3.33Å; F586-M589 PolarHBondContact O-N 2.9Å; F586-M589 VanDerWaalsContact O-N 3.13Å; F586-E590 PolarHBondContact O-N 3.26Å
587F91.3Very high90Very high128 Ų12858.6 Ų58.656%0.56130%0.299SS*.Hα-helixtrans-64-31.7173.2-74.7-55.1000113L583 R584 L585 E590L583-F587 HydrophobicContact CD1-CD2 4.16Å; L583-F587 HydrophobicContact CD1-CE2 3.65Å; L583-F587 HydrophobicContact CD1-CZ 4.24Å; L583-F587 HydrophobicContact CD2-CE2 4.15Å; L583-F587 HydrophobicContact CG-CD2 3.99Å; L583-F587 HydrophobicContact CG-CE2 3.65Å; L583-F587 WeakPolarHBondContact O-CD2 3.38Å; L583-F587 PolarHBondContact O-N 2.94Å; L583-F587 VanDerWaalsContact O-N 3.1Å; R584-F587 PolarHBondContact O-N 3Å; L585-F587 PolarHBondContact O-N 3.42Å; F587-E590 WeakPolarHBondContact O-CB 2.97Å
588A90.8Very high89.4Confident18 Ų1865.6 Ų65.615%0.14934%0.337CS..Hα-helixtrans-76.2-26.9173.600000112.5R584 L585 F586 E590 K591 G592 N593 H594 V597R584-A588 WeakPolarHBondContact O-CB 3.47Å; R584-A588 PolarHBondContact O-N 3.31Å; L585-A588 CarbonylContact O-C 3.52Å; L585-A588 PolarHBondContact O-N 2.85Å; L585-A588 VanDerWaalsContact O-N 3.13Å; F586-A588 VanDerWaalsContact C-N 3.28Å; F586-A588 PolarHBondContact O-N 2.96Å; A588-E590 VanDerWaalsContact C-N 3.35Å; A588-K591 PolarHBondContact O-N 3.43Å; A588-G592 CarbonylContact O-C 3.52Å; A588-G592 PolarHBondContact O-N 3.37Å; A588-G592 VanDerWaalsContact O-N 3.13Å; A588-N593 PolarHBondContact O-N 3.14Å; A588-H594 HydrophobicContact CB-CB 3.97Å; A588-H594 PolarHBondContact O-N 3.46Å; A588-V597 HydrophobicContact CB-CG2 3.63Å
589M90.4Very high89.1Confident11 Ų1163.3 Ų63.35%0.05432%0.321CS..Hα-helixtrans-67.5-31.9173.1-70.8170.276.400112.4L555 H556 A557 L585 F586 K591 G592 H594L555-M589 HydrophobicContact CD1-CB 3.47Å; L555-M589 VanDerWaalsContact CD1-CB 3.47Å; L555-M589 HydrophobicContact CG-CB 4.32Å; L555-M589 HydrophobicContact CG-CE 4.42Å; H556-M589 CarbonylContact C-O 3.49Å; H556-M589 WeakPolarHBondContact CA-O 3.33Å; H556-M589 PolarHBondContact N-O 3.19Å; A557-M589 HydrophobicContact CB-CE 3.44Å; A557-M589 VanDerWaalsContact CB-CE 3.44Å; L585-M589 HydrophobicContact CG-SD 4.44Å; L585-M589 VanDerWaalsContact O-CG 3.3Å; L585-M589 WeakPolarHBondContact O-CG 3.43Å; L585-M589 PolarHBondContact O-N 3.19Å; F586-M589 HydrophobicContact CD1-SD 3.71Å; F586-M589 HydrophobicContact CE1-SD 4.03Å; F586-M589 WeakPolarHBondContact O-CB 3.33Å; F586-M589 PolarHBondContact O-N 2.9Å; F586-M589 VanDerWaalsContact O-N 3.13Å; M589-K591 PolarHBondContact O-N 2.85Å; M589-G592 PolarHBondContact O-N 2.96Å; M589-H594 HydrophobicContact CB-CB 4.44Å; M589-H594 HydrophobicContact CG-CB 3.6Å; M589-H594 WeakPolarHBondContact CG-ND1 3.35Å
590E87.7Confident88.9Confident82 Ų8261.6 Ų61.638%0.38333%0.328SS..Hα-helixtrans-51.9-38.4173.3-168.4-170.5142.700111.8M37 D554 F586 F587 A588M37-E590 HydrophobicContact CE-CG 4.34Å; D554-E590 WeakPolarHBondContact O-CA 3.47Å; F586-E590 PolarHBondContact O-N 3.26Å; F587-E590 WeakPolarHBondContact O-CB 2.97Å; A588-E590 VanDerWaalsContact C-N 3.35Å
591K85.4Confident88.9Confident148 Ų14863 Ų6364%0.64332%0.32SS*.THydrogen-bonded Turntrans-1021.4179.3-60.3-175.4-179.3-178.10114.1A588 M589 N593A588-K591 PolarHBondContact O-N 3.43Å; M589-K591 PolarHBondContact O-N 2.85Å; K591-N593 PolarHBondContact O-N 2.95Å
592G86.6Confident88.9Confident7 Ų763 Ų637%0.07232%0.32CS..THydrogen-bonded Turntrans74.6-4.5-172.800000115.8H556 P559 A588 M589 H594H556-G592 WeakPolarHBondContact O-CA 3.41Å; P559-G592 WeakPolarHBondContact CG-O 3.22Å; A588-G592 CarbonylContact O-C 3.52Å; A588-G592 PolarHBondContact O-N 3.37Å; A588-G592 VanDerWaalsContact O-N 3.13Å; M589-G592 PolarHBondContact O-N 2.96Å; G592-H594 PolarHBondContact O-N 3.42Å; G592-H594 PolarHBondContact O-ND1 3.24Å
593N87.9Confident88.9Confident101 Ų10164.7 Ų64.754%0.5433%0.332SS..G310 helixtrans-808.4-174.8-70.7-11.7000114.3A588 K591 H595 S596A588-N593 PolarHBondContact O-N 3.14Å; K591-N593 PolarHBondContact O-N 2.95Å; N593-H595 PolarHBondContact O-N 3.43Å; N593-H595 VanDerWaalsContact O-N 3.1Å; N593-S596 PolarHBondContact O-N 2.84Å; N593-S596 PolarHBondContact O-OG 3.29Å
594H86.6Confident88.8Confident1 Ų164.7 Ų64.71%0.00533%0.33CS..G310 helixtrans-58.5-25.7-176.358.2-94.8000114.6H556 A557 L585 A588 M589 G592 S596 V597 H604H556-H594 PolarHBondContact O-CE1 3.46Å; A557-H594 PolarHBondContact O-CE1 3.47Å; A557-H594 VanDerWaalsContact O-CE1 3.3Å; A557-H594 PolarHBondContact O-NE2 2.95Å; L585-H594 HydrophobicContact CD1-CB 3.92Å; L585-H594 HydrophobicContact CG-CB 4.43Å; A588-H594 HydrophobicContact CB-CB 3.97Å; A588-H594 PolarHBondContact O-N 3.46Å; M589-H594 HydrophobicContact CB-CB 4.44Å; M589-H594 HydrophobicContact CG-CB 3.6Å; M589-H594 WeakPolarHBondContact CG-ND1 3.35Å; G592-H594 PolarHBondContact O-N 3.42Å; G592-H594 PolarHBondContact O-ND1 3.24Å; H594-S596 PolarHBondContact O-N 3.19Å; H594-V597 WeakPolarHBondContact O-CB 3.25Å; H594-V597 PolarHBondContact O-N 3.43Å; H594-H604 AromaticContact CD2-CE1 3.44Å; H594-H604 PolarHBondContact CD2-CE1 3.36Å; H594-H604 VanDerWaalsContact CD2-CE1 3.44Å; H594-H604 AromaticContact CD2-NE2 3.7Å; H594-H604 AromaticContact NE2-CE1 3.76Å
595H83.1Confident88.9Confident89 Ų8959.6 Ų59.641%0.41232%0.315SS..G310 helixtrans-61.1-20.3172.9-69.493.1000114.1Q560 N593 H604Q560-H595 PolarHBondContact OE1-CE1 3.22Å; N593-H595 PolarHBondContact O-N 3.43Å; N593-H595 VanDerWaalsContact O-N 3.1Å; H595-H604 AromaticContact CD2-CD2 3.76Å; H595-H604 AromaticContact CD2-CG 3.99Å; H595-H604 AromaticContact NE2-CD2 3.88Å; H595-H604 AromaticContact NE2-CG 3.65Å
596S82.4Confident88.9Confident99 Ų9961.1 Ų61.169%0.69233%0.326SS*.G310 helixtrans-84.3-9.617373.20000113.6N593 H594 N598N593-S596 PolarHBondContact O-N 2.84Å; N593-S596 PolarHBondContact O-OG 3.29Å; H594-S596 PolarHBondContact O-N 3.19Å; S596-N598 PolarHBondContact O-N 3.37Å
597V82.8Confident89Confident27 Ų2760 Ų6016%0.16432%0.321CS..SBendtrans-80.271.8175.4-171.60000109L585 A588 H594 S599L585-V597 HydrophobicContact CD1-CB 4.19Å; L585-V597 HydrophobicContact CD1-CG1 4.49Å; A588-V597 HydrophobicContact CB-CG2 3.63Å; H594-V597 WeakPolarHBondContact O-CB 3.25Å; H594-V597 PolarHBondContact O-N 3.43Å; V597-S599 PolarHBondContact O-N 2.94Å; V597-S599 VanDerWaalsContact O-N 3.12Å
598N81.8Confident89Confident157 Ų15757 Ų5784%0.8431%0.308SS*.  trans-54.5118.3179.9-174.45.8000110.8S596S596-N598 PolarHBondContact O-N 3.37Å
599S87.8Confident89.1Confident16 Ų1656.1 Ų56.111%0.11230%0.301CS..  trans-153.8125.6178.8-169.50000110.3V597 Y601 V602V597-S599 PolarHBondContact O-N 2.94Å; V597-S599 VanDerWaalsContact O-N 3.12Å; S599-Y601 PolarHBondContact O-N 2.8Å; S599-V602 PolarHBondContact O-N 3.41Å; S599-V602 VanDerWaalsContact O-N 3.1Å
600P91Very high89.3Confident106 Ų10655.7 Ų55.769%0.68830%0.299SS*.THydrogen-bonded Turntrans-68.8-8-177.729.8-36.8000113.8
601Y93.6Very high89.6Confident93 Ų9352.1 Ų52.137%0.36528%0.282SS..THydrogen-bonded Turntrans-88.2-17.6175.8-59.4-79000113.3V573 R574 A575 I577 S599V573-Y601 CarbonylContact C-O 3.49Å; V573-Y601 VanDerWaalsContact CA-O 3.32Å; V573-Y601 WeakPolarHBondContact CA-O 3.44Å; R574-Y601 HydrophobicContact CB-CD1 4.45Å; R574-Y601 PolarHBondContact N-O 3.16Å; A575-Y601 VanDerWaalsContact O-CD1 3.27Å; A575-Y601 WeakPolarHBondContact O-CD1 3.33Å; A575-Y601 WeakPolarHBondContact O-CE1 3.37Å; I577-Y601 HydrophobicContact CB-CD2 4.33Å; I577-Y601 HydrophobicContact CB-CG 4.03Å; S599-Y601 PolarHBondContact O-N 2.8Å
602V93.7Very high90.1Very high17 Ų1745.1 Ų45.110%0.10325%0.251CS..EExtended strand (participates in β ladder)trans-102.2141.9-178.2-174.70000108.6V573 I577 L585 S599 H604V573-V602 HydrophobicContact CG1-CG2 4.33Å; V573-V602 HydrophobicContact CG2-CG1 4.38Å; V573-V602 HydrophobicContact CG2-CG2 4.23Å; I577-V602 HydrophobicContact CD1-CG2 3.78Å; L585-V602 HydrophobicContact CD1-CG1 4.28Å; L585-V602 HydrophobicContact CD1-CG2 4.43Å; L585-V602 HydrophobicContact CD2-CG1 4.14Å; L585-V602 HydrophobicContact CD2-CG2 4.04Å; S599-V602 PolarHBondContact O-N 3.41Å; S599-V602 VanDerWaalsContact O-N 3.1Å; V602-H604 WeakPolarHBondContact CG1-NE2 3.28Å
603S93Very high90.4Very high36 Ų3647.2 Ų47.225%0.25226%0.259SS..EExtended strand (participates in β ladder)trans-146.2134.4175.4-640000110.5T571 F572T571-S603 WeakPolarHBondContact CA-O 3.48Å; F572-S603 VanDerWaalsContact CE2-CB 3.44Å; F572-S603 PolarHBondContact N-O 2.97Å; F572-S603 PolarHBondContact O-N 3.14Å
604H92.6Very high90.7Very high52 Ų5243.3 Ų43.324%0.24124%0.239CC..EExtended strand (participates in β ladder)trans-119120.8176.6-55.4-83.1000107.8T571 H594 H595 V602T571-H604 VanDerWaalsContact CG2-CE1 3.44Å; T571-H604 WeakPolarHBondContact CG2-CE1 3.4Å; T571-H604 WeakPolarHBondContact CG2-ND1 3.44Å; T571-H604 PolarHBondContact OG1-ND1 3.34Å; H594-H604 AromaticContact CD2-CE1 3.44Å; H594-H604 PolarHBondContact CD2-CE1 3.36Å; H594-H604 VanDerWaalsContact CD2-CE1 3.44Å; H594-H604 AromaticContact CD2-NE2 3.7Å; H594-H604 AromaticContact NE2-CE1 3.76Å; H595-H604 AromaticContact CD2-CD2 3.76Å; H595-H604 AromaticContact CD2-CG 3.99Å; H595-H604 AromaticContact NE2-CD2 3.88Å; H595-H604 AromaticContact NE2-CG 3.65Å; V602-H604 WeakPolarHBondContact CG1-NE2 3.28Å
605V93.2Very high91Very high34 Ų3447.3 Ų47.321%0.20626%0.26CS..EExtended strand (participates in β ladder)trans-135.3141.7178.2-59.20000109.8Y131 L570 F572Y131-V605 HydrophobicContact CD2-CG2 4.13Å; Y131-V605 HydrophobicContact CE1-CG2 4.23Å; Y131-V605 HydrophobicContact CE2-CB 4.18Å; Y131-V605 HydrophobicContact CE2-CG2 3.78Å; Y131-V605 HydrophobicContact CG-CG2 4.49Å; L570-V605 WeakPolarHBondContact CA-O 3.38Å; L570-V605 HydrophobicContact CB-CG2 3.93Å; L570-V605 WeakPolarHBondContact CB-O 3.49Å; L570-V605 HydrophobicContact CD2-CG2 4.02Å; L570-V605 HydrophobicContact CG-CG2 4.22Å; L570-V605 PolarHBondContact N-O 2.92Å; L570-V605 PolarHBondContact O-N 3.22Å; F572-V605 HydrophobicContact CE1-CG2 4.19Å
606S94.1Very high91.4Very high38 Ų3843.9 Ų43.927%0.26625%0.247SC..EExtended strand (participates in β ladder)trans-90.2143.1167.6-56.40000109.7P134 I568 H569P134-S606 WeakPolarHBondContact CD-O 3.19Å; I568-S606 CarbonylContact O-C 3.48Å; I568-S606 VanDerWaalsContact O-CA 3.28Å; I568-S606 WeakPolarHBondContact O-CA 3.48Å; H569-S606 PolarHBondContact CE1-OG 3.07Å; H569-S606 PolarHBondContact ND1-OG 2.94Å; H569-S606 VanDerWaalsContact ND1-OG 3.12Å
607C93.6Very high91.5Very high0 Ų045.3 Ų45.30%025%0.254CS..EExtended strand (participates in β ladder)trans-144.3160.9177.862.60000112.1Y131 M132 I568Y131-C607 HydrophobicContact CD2-CB 3.97Å; Y131-C607 HydrophobicContact CG-CB 4.36Å; M132-C607 CarbonylContact O-C 3.36Å; M132-C607 VanDerWaalsContact O-CA 3.24Å; M132-C607 WeakPolarHBondContact O-CA 3.41Å; M132-C607 WeakPolarHBondContact O-CB 3.37Å; I568-C607 PolarHBondContact N-O 3.29Å; I568-C607 PolarHBondContact O-N 3.17Å
608K91.6Very high91.7Very high65 Ų6554.4 Ų54.428%0.28329%0.285SS..SBendtrans-89.5-29.9175.4-70.4176.5172.8178.20112.7M132 S135 L520 V637M132-K608 PolarHBondContact O-N 3.4Å; S135-K608 PolarHBondContact OG-NZ 2.89Å; L520-K608 HydrophobicContact CD1-CB 4.28Å; K608-V637 PolarHBondContact O-N 3.41Å; K608-V637 VanDerWaalsContact O-N 3.11Å
609A92.6Very high92.1Very high0 Ų048.1 Ų48.10%026%0.257CS..EExtended strand (participates in β ladder)trans-151.5154.6177.300000109.7Y131 M132 L521 W533 A635 Q636Y131-A609 WeakPolarHBondContact CA-O 3.46Å; M132-A609 PolarHBondContact N-O 2.97Å; L521-A609 HydrophobicContact CD2-CB 4.3Å; L521-A609 HydrophobicContact CG-CB 4.32Å; W533-A609 HydrophobicContact CH2-CB 3.73Å; W533-A609 HydrophobicContact CZ2-CB 4.11Å; A609-A635 CarbonylContact C-O 3.58Å; A609-A635 WeakPolarHBondContact CA-O 3.49Å; A609-A635 WeakPolarHBondContact CB-O 3.3Å; A609-Q636 HydrophobicContact CB-CB 4.1Å
610F94.9Very high92.3Very high2 Ų248.4 Ų48.41%0.00926%0.258CS..EExtended strand (participates in β ladder)trans-141.9159.6170.676.4-91.9000112V88 L129 S130 A545 I568 L570 L612 L633 Q634 A635V88-F610 HydrophobicContact CB-CZ 4.08Å; V88-F610 HydrophobicContact CG1-CZ 4.25Å; V88-F610 HydrophobicContact CG2-CZ 4.38Å; L129-F610 HydrophobicContact CD1-CD2 4.22Å; S130-F610 CarbonylContact O-C 3.55Å; S130-F610 VanDerWaalsContact O-CA 3.25Å; S130-F610 WeakPolarHBondContact O-CA 3.3Å; S130-F610 WeakPolarHBondContact O-CB 3.46Å; A545-F610 HydrophobicContact CB-CD1 4.22Å; A545-F610 HydrophobicContact CB-CE1 3.37Å; A545-F610 HydrophobicContact CB-CZ 3.66Å; I568-F610 HydrophobicContact CD1-CD1 3.78Å; I568-F610 HydrophobicContact CD1-CE1 4Å; I568-F610 HydrophobicContact CG2-CD1 4.04Å; I568-F610 HydrophobicContact CG2-CE1 4.1Å; L570-F610 HydrophobicContact CD2-CB 4.46Å; F610-L612 HydrophobicContact CD2-CB 4.42Å; F610-L612 HydrophobicContact CE2-CB 4.27Å; F610-L633 HydrophobicContact CE2-CD2 3.78Å; F610-L633 HydrophobicContact CZ-CD2 4Å; F610-Q634 CarbonylContact O-C 3.52Å; F610-Q634 WeakPolarHBondContact O-CA 3.31Å; F610-A635 HydrophobicContact CD1-CB 3.93Å; F610-A635 HydrophobicContact CE1-CB 3.47Å; F610-A635 VanDerWaalsContact CE1-CB 3.47Å; F610-A635 HydrophobicContact CE2-CB 4.37Å; F610-A635 HydrophobicContact CZ-CB 3.71Å; F610-A635 PolarHBondContact N-O 3.34Å; F610-A635 PolarHBondContact O-N 3.06Å
611R94.1Very high92.5Very high6 Ų643.4 Ų43.42%0.02323%0.226CC..EExtended strand (participates in β ladder)trans-131.1128168.8-175.9-177.9-76.5-172.7-2.6108.5S130 P522 P523 L524 Q526 L528 Q613 L633 Q634S130-R611 PolarHBondContact N-O 3.27Å; S130-R611 PolarHBondContact O-N 3.31Å; P522-R611 PolarHBondContact O-NH2 3.09Å; P522-R611 VanDerWaalsContact O-NH2 3.11Å; P523-R611 PolarHBondContact O-NH2 3.45Å; L524-R611 PolarHBondContact O-NH1 3.49Å; Q526-R611 PolarHBondContact O-NH1 3.17Å; Q526-R611 PolarHBondContact O-NH2 2.95Å; L528-R611 HydrophobicContact CD1-CB 3.93Å; R611-Q613 HydrophobicContact CG-CG 4.23Å; R611-L633 CarbonylContact C-O 3.56Å; R611-L633 WeakPolarHBondContact CA-O 3.48Å; R611-Q634 HydrophobicContact CB-CB 4.13Å; R611-Q634 HydrophobicContact CG-CB 4.08Å; R611-Q634 VanDerWaalsContact CZ-OE1 3.23Å
612L94.9Very high92.6Very high2 Ų239 Ų391%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-110.9126175.1176.764.3000108.6W90 L129 F610 P614 L621 P632 L633W90-L612 HydrophobicContact CB-CD2 3.58Å; W90-L612 HydrophobicContact CD2-CD1 4.21Å; W90-L612 HydrophobicContact CD2-CD2 3.91Å; W90-L612 HydrophobicContact CE3-CD1 3.79Å; W90-L612 HydrophobicContact CE3-CD2 4.15Å; W90-L612 HydrophobicContact CG-CD2 3.69Å; W90-L612 HydrophobicContact CZ3-CD1 4Å; L129-L612 HydrophobicContact CB-CD1 4.5Å; L129-L612 HydrophobicContact CD1-CD1 4.33Å; F610-L612 HydrophobicContact CD2-CB 4.42Å; F610-L612 HydrophobicContact CE2-CB 4.27Å; L612-P614 HydrophobicContact CG-CG 4.49Å; L612-L621 HydrophobicContact CD2-CD1 4.01Å; L612-P632 WeakPolarHBondContact O-CA 3.49Å; L612-L633 PolarHBondContact N-O 3.42Å; L612-L633 PolarHBondContact O-N 3.21Å
613Q93.8Very high92.7Very high50 Ų5038.8 Ų38.823%0.23421%0.207CC..EExtended strand (participates in β ladder)trans-119.797.4175.1-58-174.5-70.500108.2G127 R128 R611 L615G127-Q613 WeakPolarHBondContact CA-O 3.49Å; R128-Q613 HydrophobicContact CB-CB 4.35Å; R128-Q613 PolarHBondContact N-O 3.06Å; R128-Q613 PolarHBondContact O-N 3.28Å; R611-Q613 HydrophobicContact CG-CG 4.23Å; Q613-L615 PolarHBondContact O-N 3.18Å
614P93.8Very high92.7Very high19 Ų1938.9 Ų38.912%0.12321%0.205CC..EExtended strand (participates in β ladder)trans-63.9128.8172.8-1932.4000110.2W90 L612 Y630 G631W90-P614 HydrophobicContact CZ2-CB 3.87Å; W90-P614 HydrophobicContact CZ2-CG 4.42Å; L612-P614 HydrophobicContact CG-CG 4.49Å; P614-Y630 HydrophobicContact CB-CE1 3.98Å; P614-Y630 HydrophobicContact CB-CE2 4.04Å; P614-Y630 VanDerWaalsContact CB-OH 3.32Å; P614-Y630 WeakPolarHBondContact CB-OH 3.44Å; P614-Y630 HydrophobicContact CG-CE2 4.31Å; P614-G631 VanDerWaalsContact CD-O 3.32Å; P614-G631 WeakPolarHBondContact CD-O 3.27Å
615L92.7Very high92.6Very high85 Ų8537.8 Ų37.845%0.44521%0.208SC..  trans-105-20.9177.2-61.4172.8000111.5K126 E537 Q613K126-L615 HydrophobicContact CB-CB 4.33Å; K126-L615 HydrophobicContact CG-CB 4.21Å; K126-L615 HydrophobicContact CG-CD1 4.43Å; K126-L615 CarbonylContact O-C 3.52Å; K126-L615 WeakPolarHBondContact O-CA 3.45Å; K126-L615 PolarHBondContact O-N 3.41Å; E537-L615 HydrophobicContact CG-CD1 4.08Å; Q613-L615 PolarHBondContact O-N 3.18Å
616S90.9Very high92.6Very high18 Ų1843.3 Ų43.313%0.12623%0.231CC..SBendtrans-67.6136.5169.545.20000111.3K126 R618 Y630K126-S616 PolarHBondContact O-N 3.22Å; K126-S616 PolarHBondContact O-OG 3.31Å; S616-R618 PolarHBondContact O-N 3Å; S616-R618 VanDerWaalsContact O-N 3.13Å; S616-R618 PolarHBondContact OG-O 3.49Å; S616-Y630 VanDerWaalsContact O-CE1 3.3Å; S616-Y630 WeakPolarHBondContact O-CE1 3.43Å; S616-Y630 PolarHBondContact O-OH 3.22Å; S616-Y630 PolarHBondContact OG-OH 3.43Å
617P84.6Confident92.5Very high129 Ų12946.5 Ų46.584%0.83825%0.245SC*.SBendtrans-72.4-7.2-173.930.5-37.6000114.2
618R87.2Confident92.4Very high217 Ų21747.3 Ų47.382%0.81925%0.25SC*.SBendtrans-145.2151.2174.8-64.2-175.8-178.7172.31.5109.7S616 Y630S616-R618 PolarHBondContact O-N 3Å; S616-R618 VanDerWaalsContact O-N 3.13Å; S616-R618 PolarHBondContact OG-O 3.49Å; R618-Y630 PolarHBondContact O-OH 3.36Å
619G90.4Very high92.4Very high25 Ų2546.6 Ų46.626%0.25825%0.252SS..  trans171.2175.9170.800000109.9Y630G619-Y630 VanDerWaalsContact C-CE2 3.47Å; G619-Y630 VanDerWaalsContact CA-CE2 3.42Å; G619-Y630 WeakPolarHBondContact O-CD2 3.22Å
620T93.1Very high92.3Very high23 Ų2349.7 Ų49.714%0.14126%0.264CS..  trans-102.9148.5172.9-44.70000109.5W90 G91 S94 D95 I98 T622 L627W90-T620 VanDerWaalsContact CD1-O 3.25Å; G91-T620 PolarHBondContact N-O 3.06Å; S94-T620 WeakPolarHBondContact O-CG2 3.48Å; S94-T620 PolarHBondContact OG-O 2.65Å; S94-T620 VanDerWaalsContact OG-O 3.06Å; D95-T620 VanDerWaalsContact OD1-CB 3.31Å; D95-T620 WeakPolarHBondContact OD1-CB 3.44Å; D95-T620 PolarHBondContact OD1-OG1 2.64Å; I98-T620 HydrophobicContact CB-CG2 4.18Å; I98-T620 HydrophobicContact CG1-CG2 3.71Å; T620-T622 HydrophobicContact CG2-CG2 4.42Å; T620-L627 HydrophobicContact CG2-CD1 3.8Å
621L94.9Very high92.1Very high1 Ų150.1 Ų50.11%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-141.9122.2175.8-17667.6000107.5V88 A89 W90 L612 V628 Y630 L633V88-L621 HydrophobicContact CG1-CD1 4.35Å; A89-L621 CarbonylContact O-C 3.48Å; A89-L621 WeakPolarHBondContact O-CA 3.37Å; W90-L621 HydrophobicContact CB-CD1 3.8Å; W90-L621 HydrophobicContact CG-CD1 4.23Å; L612-L621 HydrophobicContact CD2-CD1 4.01Å; L621-V628 HydrophobicContact CB-CG2 4.05Å; L621-V628 HydrophobicContact CD2-CG2 3.81Å; L621-V628 HydrophobicContact CG-CG2 3.62Å; L621-V628 WeakPolarHBondContact O-CG2 3.03Å; L621-V628 PolarHBondContact O-N 3.11Å; L621-V628 VanDerWaalsContact O-N 3.11Å; L621-Y630 HydrophobicContact CB-CD2 4.33Å; L621-L633 HydrophobicContact CD1-CD1 4.35Å; L621-L633 HydrophobicContact CD2-CB 4.31Å; L621-L633 HydrophobicContact CD2-CD1 3.93Å; L621-L633 HydrophobicContact CG-CD1 4.31Å
622T95.1Very high91.9Very high0 Ų052.1 Ų52.10%028%0.282CS..EExtended strand (participates in β ladder)trans-121.2150.1-179.650.80000112.3V88 A89 S94 D97 I98 T620 E626V88-T622 WeakPolarHBondContact CA-O 3.44Å; A89-T622 PolarHBondContact N-O 3.19Å; A89-T622 PolarHBondContact O-N 3.48Å; S94-T622 VanDerWaalsContact CB-OG1 3.3Å; S94-T622 WeakPolarHBondContact CB-OG1 3.24Å; D97-T622 HydrophobicContact CB-CG2 4.36Å; D97-T622 PolarHBondContact OD2-OG1 2.68Å; I98-T622 HydrophobicContact CD1-CG2 3.83Å; I98-T622 HydrophobicContact CG1-CG2 3.71Å; T620-T622 HydrophobicContact CG2-CG2 4.42Å; T622-E626 CarbonylContact C-O 3.54Å; T622-E626 WeakPolarHBondContact CA-O 3.46Å; T622-E626 WeakPolarHBondContact CB-O 3.36Å
623V95.4Very high91.9Very high12 Ų1252 Ų527%0.07328%0.282CS..EExtended strand (participates in β ladder)trans-129.4121.3175.11780000107.7I64 S87 V88 G625 E626 V628 L633I64-V623 HydrophobicContact CD1-CG1 3.5Å; I64-V623 VanDerWaalsContact CD1-CG1 3.5Å; I64-V623 HydrophobicContact CD1-CG2 4.23Å; S87-V623 WeakPolarHBondContact O-CA 3.42Å; V88-V623 HydrophobicContact CG2-CG1 4.48Å; V88-V623 HydrophobicContact CG2-CG2 4.17Å; V623-G625 PolarHBondContact O-N 2.74Å; V623-E626 PolarHBondContact N-O 2.88Å; V623-E626 PolarHBondContact O-N 2.99Å; V623-V628 HydrophobicContact CB-CG1 3.9Å; V623-V628 HydrophobicContact CG2-CB 4.3Å; V623-V628 HydrophobicContact CG2-CG1 3.55Å; V623-V628 HydrophobicContact CG2-CG2 3.8Å; V623-L633 HydrophobicContact CG2-CD1 4.31Å
624D93.8Very high91.8Very high39 Ų3950 Ų5021%0.20927%0.272CS..THydrogen-bonded Turntrans5024.9-169.6-61.2-20.1000113.9S84 F85 L86 S87S84-D624 WeakPolarHBondContact CA-OD2 3.43Å; S84-D624 WeakPolarHBondContact CB-OD2 3.08Å; S84-D624 PolarHBondContact OG-OD1 3.35Å; S84-D624 PolarHBondContact OG-OD2 3.49Å; F85-D624 WeakPolarHBondContact CD1-OD2 3.39Å; F85-D624 HydrophobicContact CE1-CB 4.34Å; F85-D624 WeakPolarHBondContact CE1-OD2 3.35Å; F85-D624 PolarHBondContact N-OD1 2.9Å; F85-D624 PolarHBondContact N-OD2 3.33Å; L86-D624 WeakPolarHBondContact CA-OD1 3.41Å; L86-D624 HydrophobicContact CB-CB 4.38Å; L86-D624 VanDerWaalsContact CB-OD1 3.3Å; L86-D624 WeakPolarHBondContact CB-OD1 3.38Å; L86-D624 PolarHBondContact N-OD1 2.66Å; S87-D624 PolarHBondContact N-OD1 2.8Å; S87-D624 PolarHBondContact O-N 3.19Å
625G90.6Very high91.8Very high29 Ų2949.1 Ų49.130%0.29927%0.267SS..THydrogen-bonded Turntrans92.5-12.3-175.700000115.5V623V623-G625 PolarHBondContact O-N 2.74Å
626E92.1Very high91.7Very high149 Ų14945.9 Ų45.970%0.69625%0.249SC*.EExtended strand (participates in β ladder)trans-86.8143179.4-68.9-65.4160.400112.1T622 V623 V628T622-E626 CarbonylContact C-O 3.54Å; T622-E626 WeakPolarHBondContact CA-O 3.46Å; T622-E626 WeakPolarHBondContact CB-O 3.36Å; V623-E626 PolarHBondContact N-O 2.88Å; V623-E626 PolarHBondContact O-N 2.99Å; E626-V628 PolarHBondContact O-N 3.1Å
627L92.9Very high91.6Very high106 Ų10645.7 Ų45.756%0.55525%0.247SC*.EExtended strand (participates in β ladder)trans-71.4125.8-178.1-179.566.4000111.9I98 T620I98-L627 HydrophobicContact CD1-CB 3.93Å; I98-L627 HydrophobicContact CG1-CD1 4.4Å; T620-L627 HydrophobicContact CG2-CD1 3.8Å
628V92Very high91.4Very high17 Ų1740.8 Ų40.810%0.10321%0.212CC..  trans-111.4161.9174.8-66.50000112.4L82 L621 V623 E626 Y630L82-V628 HydrophobicContact CD1-CG1 4.08Å; L621-V628 HydrophobicContact CB-CG2 4.05Å; L621-V628 HydrophobicContact CD2-CG2 3.81Å; L621-V628 HydrophobicContact CG-CG2 3.62Å; L621-V628 WeakPolarHBondContact O-CG2 3.03Å; L621-V628 PolarHBondContact O-N 3.11Å; L621-V628 VanDerWaalsContact O-N 3.11Å; V623-V628 HydrophobicContact CB-CG1 3.9Å; V623-V628 HydrophobicContact CG2-CB 4.3Å; V623-V628 HydrophobicContact CG2-CG1 3.55Å; V623-V628 HydrophobicContact CG2-CG2 3.8Å; E626-V628 PolarHBondContact O-N 3.1Å; V628-Y630 PolarHBondContact O-N 3.2Å
629P89.8Confident90.4Very high49 Ų4936.3 Ų36.332%0.31820%0.199SC..  trans-55.5128.6174.5-25.835.6000111.7G631P629-G631 PolarHBondContact O-N 2.9Å
630Y91.1Very high89.1Confident66 Ų6638.1 Ų38.126%0.25920%0.202SC..SBendtrans-75.8123.1-178.8-177.4-92.2000111.2W90 P614 S616 R618 G619 L621 V628W90-Y630 AromaticContact NE1-CE2 3.52Å; P614-Y630 HydrophobicContact CB-CE1 3.98Å; P614-Y630 HydrophobicContact CB-CE2 4.04Å; P614-Y630 VanDerWaalsContact CB-OH 3.32Å; P614-Y630 WeakPolarHBondContact CB-OH 3.44Å; P614-Y630 HydrophobicContact CG-CE2 4.31Å; S616-Y630 VanDerWaalsContact O-CE1 3.3Å; S616-Y630 WeakPolarHBondContact O-CE1 3.43Å; S616-Y630 PolarHBondContact O-OH 3.22Å; S616-Y630 PolarHBondContact OG-OH 3.43Å; R618-Y630 PolarHBondContact O-OH 3.36Å; G619-Y630 VanDerWaalsContact C-CE2 3.47Å; G619-Y630 VanDerWaalsContact CA-CE2 3.42Å; G619-Y630 WeakPolarHBondContact O-CD2 3.22Å; L621-Y630 HydrophobicContact CB-CD2 4.33Å; V628-Y630 PolarHBondContact O-N 3.2Å
631G90.4Very high86.9Confident10 Ų1041.9 Ų41.910%0.10323%0.229CC..SBendtrans161.8-166.7-179.500000110.9S67 P614 P629 L633S67-G631 WeakPolarHBondContact OG-CA 3.3Å; P614-G631 VanDerWaalsContact CD-O 3.32Å; P614-G631 WeakPolarHBondContact CD-O 3.27Å; P629-G631 PolarHBondContact O-N 2.9Å; G631-L633 PolarHBondContact O-N 3.23Å
632P91.6Very high84.4Confident49 Ų4948.9 Ų48.932%0.31827%0.266SS..  trans-56.9133.2177-2736000113.3S67 L524 L612S67-P632 WeakPolarHBondContact CB-O 3.28Å; S67-P632 PolarHBondContact N-O 2.88Å; S67-P632 PolarHBondContact OG-O 2.97Å; L524-P632 HydrophobicContact CD2-CB 4.41Å; L612-P632 WeakPolarHBondContact O-CA 3.49Å
633L93Very high81.3Confident0 Ų053.4 Ų53.40%030%0.298CS..EExtended strand (participates in β ladder)trans-131.4139.7178.7178.9155.1000109I64 T66 V88 F610 R611 L612 L621 V623 G631 A635I64-L633 HydrophobicContact CG2-CD1 3.87Å; I64-L633 HydrophobicContact CG2-CD2 4.09Å; I64-L633 HydrophobicContact CG2-CG 3.81Å; T66-L633 HydrophobicContact CG2-CD1 3.92Å; T66-L633 HydrophobicContact CG2-CG 4.22Å; V88-L633 HydrophobicContact CG1-CD1 3.84Å; V88-L633 HydrophobicContact CG1-CD2 4.11Å; F610-L633 HydrophobicContact CE2-CD2 3.78Å; F610-L633 HydrophobicContact CZ-CD2 4Å; R611-L633 CarbonylContact C-O 3.56Å; R611-L633 WeakPolarHBondContact CA-O 3.48Å; L612-L633 PolarHBondContact N-O 3.42Å; L612-L633 PolarHBondContact O-N 3.21Å; L621-L633 HydrophobicContact CD1-CD1 4.35Å; L621-L633 HydrophobicContact CD2-CB 4.31Å; L621-L633 HydrophobicContact CD2-CD1 3.93Å; L621-L633 HydrophobicContact CG-CD1 4.31Å; V623-L633 HydrophobicContact CG2-CD1 4.31Å; G631-L633 PolarHBondContact O-N 3.23Å; L633-A635 HydrophobicContact CD2-CB 4.32Å
634Q92.3Very high78.2Confident7 Ų762.6 Ų62.63%0.03336%0.355CS..EExtended strand (participates in β ladder)trans-130.1150.6167.265.3-177.626.700111.7I64 T65 L521 P522 L524 F610 R611I64-Q634 CarbonylContact C-O 3.49Å; I64-Q634 WeakPolarHBondContact CA-O 3.48Å; T65-Q634 PolarHBondContact N-O 3.01Å; T65-Q634 PolarHBondContact O-N 3.25Å; L521-Q634 HydrophobicContact CD1-CB 4.03Å; L521-Q634 HydrophobicContact CD1-CG 3.91Å; L521-Q634 HydrophobicContact CD2-CB 4.16Å; P522-Q634 PolarHBondContact O-NE2 2.9Å; P522-Q634 PolarHBondContact O-OE1 3.08Å; L524-Q634 HydrophobicContact CD1-CG 3.78Å; L524-Q634 HydrophobicContact CG-CG 4.3Å; F610-Q634 CarbonylContact O-C 3.52Å; F610-Q634 WeakPolarHBondContact O-CA 3.31Å; R611-Q634 HydrophobicContact CB-CB 4.13Å; R611-Q634 HydrophobicContact CG-CB 4.08Å; R611-Q634 VanDerWaalsContact CZ-OE1 3.23Å
635A93.1Very high77.5Confident0 Ų063.8 Ų63.80%036%0.362CS..EExtended strand (participates in β ladder)trans-144.6137.1-173.100000111.3V62 S63 I64 A609 F610 L633V62-A635 HydrophobicContact CG1-CB 3.8Å; S63-A635 CarbonylContact O-C 3.6Å; S63-A635 VanDerWaalsContact O-CA 3.26Å; S63-A635 WeakPolarHBondContact O-CA 3.33Å; I64-A635 HydrophobicContact CG1-CB 4.01Å; A609-A635 CarbonylContact C-O 3.58Å; A609-A635 WeakPolarHBondContact CA-O 3.49Å; A609-A635 WeakPolarHBondContact CB-O 3.3Å; F610-A635 HydrophobicContact CD1-CB 3.93Å; F610-A635 HydrophobicContact CE1-CB 3.47Å; F610-A635 VanDerWaalsContact CE1-CB 3.47Å; F610-A635 HydrophobicContact CE2-CB 4.37Å; F610-A635 HydrophobicContact CZ-CB 3.71Å; F610-A635 PolarHBondContact N-O 3.34Å; F610-A635 PolarHBondContact O-N 3.06Å; L633-A635 HydrophobicContact CD2-CB 4.32Å
636Q91.3Very high76.8Confident18 Ų1865.6 Ų65.68%0.08437%0.365CS..EExtended strand (participates in β ladder)trans-136.2136.2178.4164.3178.2-16.400110V62 S63 D518 L520 L521 A609 R638V62-Q636 WeakPolarHBondContact CA-O 3.49Å; V62-Q636 WeakPolarHBondContact CG1-O 3.46Å; S63-Q636 PolarHBondContact N-O 3.24Å; S63-Q636 PolarHBondContact O-N 3.42Å; D518-Q636 PolarHBondContact O-OE1 2.7Å; L520-Q636 HydrophobicContact CB-CG 4.38Å; L520-Q636 HydrophobicContact CD1-CG 4.28Å; L521-Q636 HydrophobicContact CD1-CB 3.58Å; L521-Q636 HydrophobicContact CG-CB 4.18Å; A609-Q636 HydrophobicContact CB-CB 4.1Å; Q636-R638 PolarHBondContact O-N 3.11Å
637V89.3Confident75.9Confident14 Ų1461 Ų619%0.08535%0.347CS..EExtended strand (participates in β ladder)trans-66.5123.3170.4-170.60000109.7D60 V62 I568 K608D60-V637 HydrophobicContact CB-CG1 4.07Å; V62-V637 HydrophobicContact CG2-CG2 4.25Å; I568-V637 HydrophobicContact CD1-CG2 4Å; I568-V637 HydrophobicContact CG1-CG2 3.5Å; I568-V637 VanDerWaalsContact CG1-CG2 3.5Å; K608-V637 PolarHBondContact O-N 3.41Å; K608-V637 VanDerWaalsContact O-N 3.11Å
638R79.8Confident74.9Confident25 Ų2558.4 Ų58.49%0.09434%0.335CS..EExtended strand (participates in β ladder)trans-93.8104165.3-179.2-178.3-69.4132-5108.3M1 L61 P516 D518 Q636 I640M1-R638 PolarHBondContact SD-NH1 3.2Å; L61-R638 PolarHBondContact O-N 2.99Å; P516-R638 PolarHBondContact O-NH2 3.43Å; D518-R638 IonicContact OD1-NH2 3.88Å; Q636-R638 PolarHBondContact O-N 3.11Å; R638-I640 PolarHBondContact O-N 3.41Å
639K66.9Low73.9Confident124 Ų12460.9 Ų60.954%0.53935%0.349SS..  trans-64.3121.1158.3-65.3-158.3177.7-105.40108D565 G566 S641D565-K639 PolarHBondContact O-NZ 3.21Å; G566-K639 VanDerWaalsContact CA-NZ 3.28Å; K639-S641 VanDerWaalsContact C-N 3.35Å; K639-S641 PolarHBondContact O-N 3.21Å; K639-S641 VanDerWaalsContact O-N 3.08Å
640I61.7Low72.8Confident62 Ų6261.7 Ų61.732%0.31835%0.351SS..  trans-77.493.4171-58.1159.5000105.7I10 L61 R638 N642I10-I640 HydrophobicContact CD1-CD1 3.53Å; I10-I640 HydrophobicContact CD1-CG1 4.1Å; I10-I640 HydrophobicContact CG1-CD1 4.02Å; L61-I640 HydrophobicContact CD1-CD1 4.49Å; R638-I640 PolarHBondContact O-N 3.41Å; I640-N642 PolarHBondContact O-N 3.28Å; I640-N642 VanDerWaalsContact O-N 3.14Å
641S48.5Very low71.5Confident103 Ų10361.4 Ų61.472%0.7236%0.358SS*.  trans-62.5115.8172.653.20000108.6K639 S643K639-S641 VanDerWaalsContact C-N 3.35Å; K639-S641 PolarHBondContact O-N 3.21Å; K639-S641 VanDerWaalsContact O-N 3.08Å; S641-S643 VanDerWaalsContact C-N 3.35Å; S641-S643 PolarHBondContact O-N 3.35Å
642N41.1Very low70Confident147 Ų14765.4 Ų65.479%0.78638%0.377SS*.  trans-62.997.6169.6-74.4-20.1000108.7I640 T644I640-N642 PolarHBondContact O-N 3.28Å; I640-N642 VanDerWaalsContact O-N 3.14Å; N642-T644 PolarHBondContact O-N 3.08Å
643S31.4Very low68.2Low95 Ų9566.8 Ų66.866%0.66438%0.382SS*.  trans-63.7110.2157.237.90000107.2S641S641-S643 VanDerWaalsContact C-N 3.35Å; S641-S643 PolarHBondContact O-N 3.35Å
644T30.6Very low66Low206 Ų20672.8 Ų72.8100%1.26442%0.417SS*.  trans-64.20178.952.10000111.5N642N642-T644 PolarHBondContact O-N 3.08Å

Retrieved 644 of 644 residues in 80.3 ms (Link to these results)

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