X5D311_HUMAN Loading...

Acetylserotonin O-methyltransferase

Catalyzes the transfer of a methyl group onto N-acetylserotonin, producing melatonin (N-acetyl-5-methoxytryptamine).

AlphaFold DB , UniProt , Accession X5D311, Species HUMAN (Homo sapiens, Human), Gene ASMT, Length 282 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.5Very low77.5Confident243 Ų243109.9 Ų109.9100%1.19758%0.582SS**  0109.50-74.7169.3164.800106.3
2G50.7Low79.1Confident39 Ų39109.4 Ų109.440%0.40258%0.579SS.*  trans-65.3141178.400000110.6D6G2-D6 WeakPolarHBondContact CA-OD2 3.21Å
3S65.5Low80.3Confident71 Ų71104.9 Ų104.950%0.49756%0.555SS.*  trans-62162.5175.757.90000111.2E5 D6 Q7S3-E5 PolarHBondContact O-N 3.16Å; S3-D6 WeakPolarHBondContact O-CA 3.31Å; S3-D6 WeakPolarHBondContact O-CB 3.21Å; S3-D6 PolarHBondContact O-N 3.41Å; S3-Q7 PolarHBondContact O-N 3.33Å; S3-Q7 VanDerWaalsContact O-N 3.12Å
4S68.2Low81.4Confident94 Ų94105.1 Ų105.166%0.65756%0.556SS**Hα-helixtrans-58.7-32.7178.350.70000113.4D6 Q7 A8S4-D6 VanDerWaalsContact C-N 3.33Å; S4-Q7 PolarHBondContact O-N 2.62Å; S4-A8 PolarHBondContact O-N 3Å
5E67.6Low82.4Confident159 Ų159109.3 Ų109.374%0.74356%0.564SS**Hα-helixtrans-64.9-37.1173.5-67.5-179.6173.300112.1S3 Q7 A8 Y9S3-E5 PolarHBondContact O-N 3.16Å; E5-Q7 VanDerWaalsContact C-N 3.3Å; E5-Q7 PolarHBondContact O-N 3.3Å; E5-A8 PolarHBondContact O-N 2.92Å; E5-Y9 PolarHBondContact O-N 3.3Å
6D85.3Confident83.3Confident54 Ų54105.8 Ų105.829%0.28956%0.556SS.*Hα-helixtrans-72.1-22.8175.3175.842.5000111.9G2 S3 S4 R10G2-D6 WeakPolarHBondContact CA-OD2 3.21Å; S3-D6 WeakPolarHBondContact O-CA 3.31Å; S3-D6 WeakPolarHBondContact O-CB 3.21Å; S3-D6 PolarHBondContact O-N 3.41Å; S4-D6 VanDerWaalsContact C-N 3.33Å; D6-R10 VanDerWaalsContact O-CG 3.26Å; D6-R10 WeakPolarHBondContact O-CG 3.34Å; D6-R10 PolarHBondContact O-N 3.33Å; D6-R10 PolarHBondContact O-NH1 2.99Å; D6-R10 IonicContact OD1-CZ 2.7Å; D6-R10 IonicContact OD1-NE 3.86Å; D6-R10 IonicContact OD1-NH1 2.77Å; D6-R10 PolarHBondContact OD1-NH1 3.22Å; D6-R10 IonicContact OD1-NH2 2.84Å; D6-R10 PolarHBondContact OD1-NH2 2.99Å; D6-R10 IonicContact OD2-CZ 3.3Å; D6-R10 IonicContact OD2-NH1 2.98Å; D6-R10 PolarHBondContact OD2-NH1 3.1Å; D6-R10 IonicContact OD2-NH2 3.22Å; D6-R10 PolarHBondContact OD2-NH2 3.1Å
7Q91.8Very high84Confident129 Ų129103.5 Ų103.560%0.60354%0.544SS*.Hα-helixtrans-76.7-44.5168.9-69.4-174.8-14.700112.5S3 S4 E5 Y9 R10 L11S3-Q7 PolarHBondContact O-N 3.33Å; S3-Q7 VanDerWaalsContact O-N 3.12Å; S4-Q7 PolarHBondContact O-N 2.62Å; E5-Q7 VanDerWaalsContact C-N 3.3Å; E5-Q7 PolarHBondContact O-N 3.3Å; Q7-Y9 VanDerWaalsContact C-N 3.34Å; Q7-Y9 PolarHBondContact O-N 3.17Å; Q7-R10 PolarHBondContact O-N 3.04Å; Q7-L11 PolarHBondContact O-N 3.03Å
8A94.4Very high84.7Confident64 Ų6499.3 Ų99.353%0.52953%0.529SS..Hα-helixtrans-62-41.4179.300000112S4 E5 L11 L12S4-A8 PolarHBondContact O-N 3Å; E5-A8 PolarHBondContact O-N 2.92Å; A8-L11 PolarHBondContact O-N 3.06Å; A8-L12 PolarHBondContact O-N 2.85Å
9Y93.8Very high85.4Confident151 Ų15199.6 Ų99.659%0.59253%0.526SS*.Hα-helixtrans-68.1-38.1177.5-173.6-114.8000112.7E5 Q7 L12 N13E5-Y9 PolarHBondContact O-N 3.3Å; Q7-Y9 VanDerWaalsContact C-N 3.34Å; Q7-Y9 PolarHBondContact O-N 3.17Å; Y9-L12 PolarHBondContact O-N 2.78Å; Y9-N13 WeakPolarHBondContact CD1-ND2 3.44Å; Y9-N13 WeakPolarHBondContact CE1-ND2 3.38Å; Y9-N13 VanDerWaalsContact CZ-ND2 3.28Å; Y9-N13 PolarHBondContact O-N 3.16Å; Y9-N13 VanDerWaalsContact O-N 3.11Å; Y9-N13 PolarHBondContact O-ND2 2.92Å
10R94Very high86Confident124 Ų12499 Ų9947%0.46852%0.521SS..Hα-helixtrans-60.1-46.9172.4-77.5-177-168.5106.23.8111.5D6 Q7 L12 N13 D14D6-R10 VanDerWaalsContact O-CG 3.26Å; D6-R10 WeakPolarHBondContact O-CG 3.34Å; D6-R10 PolarHBondContact O-N 3.33Å; D6-R10 PolarHBondContact O-NH1 2.99Å; D6-R10 IonicContact OD1-CZ 2.7Å; D6-R10 IonicContact OD1-NE 3.86Å; D6-R10 IonicContact OD1-NH1 2.77Å; D6-R10 PolarHBondContact OD1-NH1 3.22Å; D6-R10 IonicContact OD1-NH2 2.84Å; D6-R10 PolarHBondContact OD1-NH2 2.99Å; D6-R10 IonicContact OD2-CZ 3.3Å; D6-R10 IonicContact OD2-NH1 2.98Å; D6-R10 PolarHBondContact OD2-NH1 3.1Å; D6-R10 IonicContact OD2-NH2 3.22Å; D6-R10 PolarHBondContact OD2-NH2 3.1Å; Q7-R10 PolarHBondContact O-N 3.04Å; R10-L12 VanDerWaalsContact C-N 3.33Å; R10-L12 PolarHBondContact O-N 3.32Å; R10-N13 WeakPolarHBondContact O-CB 3.31Å; R10-N13 PolarHBondContact O-N 2.67Å; R10-N13 VanDerWaalsContact O-N 3.09Å; R10-D14 PolarHBondContact O-N 3.45Å
11L95.6Very high86.6Confident81 Ų8197.4 Ų97.442%0.42452%0.515SS..Hα-helixtrans-60.3-42.2179.4-174.462.7000112.3Q7 A8 N13 D14 Y15Q7-L11 PolarHBondContact O-N 3.03Å; A8-L11 PolarHBondContact O-N 3.06Å; L11-N13 VanDerWaalsContact C-N 3.31Å; L11-N13 PolarHBondContact O-N 3.27Å; L11-D14 PolarHBondContact O-N 3.5Å; L11-Y15 HydrophobicContact CD1-CE1 3.89Å; L11-Y15 HydrophobicContact CD1-CE2 4.01Å; L11-Y15 HydrophobicContact CD2-CE2 4.14Å; L11-Y15 HydrophobicContact CG-CD2 4.36Å; L11-Y15 HydrophobicContact CG-CE1 4.49Å; L11-Y15 HydrophobicContact CG-CE2 3.72Å; L11-Y15 PolarHBondContact O-N 3.35Å; L11-Y15 VanDerWaalsContact O-N 3.11Å
12L96.8Very high89.1Confident104 Ų10488.1 Ų88.155%0.54547%0.474SS..Hα-helixtrans-59.7-42.9174.8177.562.4000111.8A8 Y9 R10 Y15 A16A8-L12 PolarHBondContact O-N 2.85Å; Y9-L12 PolarHBondContact O-N 2.78Å; R10-L12 VanDerWaalsContact C-N 3.33Å; R10-L12 PolarHBondContact O-N 3.32Å; L12-Y15 PolarHBondContact O-N 3.26Å; L12-A16 WeakPolarHBondContact O-CB 3.38Å; L12-A16 PolarHBondContact O-N 3.1Å
13N94.9Very high91.3Very high51 Ų5189.5 Ų89.527%0.27347%0.47SS..Hα-helixtrans-66.7-37.6177.1-77.5-72.5000112.2Y9 R10 L11 Y15 A16 N17Y9-N13 WeakPolarHBondContact CD1-ND2 3.44Å; Y9-N13 WeakPolarHBondContact CE1-ND2 3.38Å; Y9-N13 VanDerWaalsContact CZ-ND2 3.28Å; Y9-N13 PolarHBondContact O-N 3.16Å; Y9-N13 VanDerWaalsContact O-N 3.11Å; Y9-N13 PolarHBondContact O-ND2 2.92Å; R10-N13 WeakPolarHBondContact O-CB 3.31Å; R10-N13 PolarHBondContact O-N 2.67Å; R10-N13 VanDerWaalsContact O-N 3.09Å; L11-N13 VanDerWaalsContact C-N 3.31Å; L11-N13 PolarHBondContact O-N 3.27Å; N13-Y15 VanDerWaalsContact C-N 3.33Å; N13-Y15 PolarHBondContact O-N 3.11Å; N13-A16 PolarHBondContact O-N 3.49Å; N13-N17 WeakPolarHBondContact O-CB 3.47Å; N13-N17 PolarHBondContact O-N 3.44Å; N13-N17 PolarHBondContact O-ND2 2.87Å
14D95.1Very high92.9Very high107 Ų10787.1 Ų87.157%0.57245%0.452SS*.Hα-helixtrans-60.2-44.2176-68.4-18.2000110.8R10 L11 G18R10-D14 PolarHBondContact O-N 3.45Å; L11-D14 PolarHBondContact O-N 3.5Å; D14-G18 PolarHBondContact O-N 2.83Å
15Y96.9Very high94.4Very high169 Ų16984.4 Ų84.466%0.66343%0.431SS*.Hα-helixtrans-67.3-45175.5-62.2-25.3000112.7L11 L12 N13 N17 G18L11-Y15 HydrophobicContact CD1-CE1 3.89Å; L11-Y15 HydrophobicContact CD1-CE2 4.01Å; L11-Y15 HydrophobicContact CD2-CE2 4.14Å; L11-Y15 HydrophobicContact CG-CD2 4.36Å; L11-Y15 HydrophobicContact CG-CE1 4.49Å; L11-Y15 HydrophobicContact CG-CE2 3.72Å; L11-Y15 PolarHBondContact O-N 3.35Å; L11-Y15 VanDerWaalsContact O-N 3.11Å; L12-Y15 PolarHBondContact O-N 3.26Å; N13-Y15 VanDerWaalsContact C-N 3.33Å; N13-Y15 PolarHBondContact O-N 3.11Å; Y15-N17 VanDerWaalsContact C-N 3.25Å; Y15-N17 PolarHBondContact O-N 3.47Å; Y15-G18 PolarHBondContact O-N 3.33Å
16A96.9Very high95.9Very high53 Ų5378 Ų7844%0.43840%0.4SS..Hα-helixtrans-63.3-33.3179.900000112.2L12 N13 F19L12-A16 WeakPolarHBondContact O-CB 3.38Å; L12-A16 PolarHBondContact O-N 3.1Å; N13-A16 PolarHBondContact O-N 3.49Å; A16-F19 WeakPolarHBondContact O-CD1 3.45Å; A16-F19 WeakPolarHBondContact O-CE1 3.29Å
17N95.1Very high96.5Very high67 Ų6777 Ų7736%0.35840%0.4SS..Hα-helixtrans-94.4-7-178.4-63.8-36.8000113.6N13 Y15 F19 M20 V21N13-N17 WeakPolarHBondContact O-CB 3.47Å; N13-N17 PolarHBondContact O-N 3.44Å; N13-N17 PolarHBondContact O-ND2 2.87Å; Y15-N17 VanDerWaalsContact C-N 3.25Å; Y15-N17 PolarHBondContact O-N 3.47Å; N17-F19 PolarHBondContact O-N 3.24Å; N17-F19 VanDerWaalsContact O-N 3.17Å; N17-M20 HydrophobicContact CB-CE 3.62Å; N17-M20 VanDerWaalsContact CG-CE 3.49Å; N17-M20 WeakPolarHBondContact O-CB 3.34Å; N17-M20 PolarHBondContact O-N 3.27Å; N17-M20 WeakPolarHBondContact OD1-CE 3.5Å; N17-V21 PolarHBondContact O-N 3.01Å
18G97.2Very high96.8Very high27 Ų2770.9 Ų70.928%0.27837%0.371SS..Hα-helixtrans-55.4-36.3-176.300000113.6D14 Y15 M20 V21 S22D14-G18 PolarHBondContact O-N 2.83Å; Y15-G18 PolarHBondContact O-N 3.33Å; G18-M20 VanDerWaalsContact C-N 3.26Å; G18-M20 PolarHBondContact O-N 3.29Å; G18-V21 WeakPolarHBondContact O-CB 3.27Å; G18-V21 PolarHBondContact O-N 3.11Å; G18-V21 VanDerWaalsContact O-N 3.16Å; G18-S22 PolarHBondContact O-N 3.11Å; G18-S22 PolarHBondContact O-OG 2.92Å
19F96.9Very high97Very high106 Ų10668 Ų6847%0.46535%0.347SS..Hα-helixtrans-61.5-34177.278.7-96.9000113A16 N17 Q23 Y114A16-F19 WeakPolarHBondContact O-CD1 3.45Å; A16-F19 WeakPolarHBondContact O-CE1 3.29Å; N17-F19 PolarHBondContact O-N 3.24Å; N17-F19 VanDerWaalsContact O-N 3.17Å; F19-Q23 WeakPolarHBondContact O-CG 3.5Å; F19-Q23 PolarHBondContact O-N 3.46Å; F19-Y114 HydrophobicContact CB-CE2 4.05Å; F19-Y114 WeakPolarHBondContact CD2-OH 3.3Å
20M98.1Very high97.2Very high87 Ų8765 Ų6543%0.42934%0.339SS..Hα-helixtrans-70.5-40.6177.5-64.9-171.2-78.600110.6N17 G18 S22 Q23 V24N17-M20 HydrophobicContact CB-CE 3.62Å; N17-M20 VanDerWaalsContact CG-CE 3.49Å; N17-M20 WeakPolarHBondContact O-CB 3.34Å; N17-M20 PolarHBondContact O-N 3.27Å; N17-M20 WeakPolarHBondContact OD1-CE 3.5Å; G18-M20 VanDerWaalsContact C-N 3.26Å; G18-M20 PolarHBondContact O-N 3.29Å; M20-S22 VanDerWaalsContact C-N 3.34Å; M20-Q23 PolarHBondContact O-N 3.37Å; M20-V24 WeakPolarHBondContact O-CG2 3.45Å; M20-V24 PolarHBondContact O-N 2.97Å
21V98.1Very high97.4Very high66 Ų6662.5 Ų62.540%0.433%0.334SS..Hα-helixtrans-60.8-44.9175.2175.80000110.6N17 G18 V24 L25 L70N17-V21 PolarHBondContact O-N 3.01Å; G18-V21 WeakPolarHBondContact O-CB 3.27Å; G18-V21 PolarHBondContact O-N 3.11Å; G18-V21 VanDerWaalsContact O-N 3.16Å; V21-V24 PolarHBondContact O-N 3.02Å; V21-L25 PolarHBondContact O-N 3.19Å; V21-L25 VanDerWaalsContact O-N 3.17Å; V21-L70 HydrophobicContact CG1-CD1 3.86Å; V21-L70 HydrophobicContact CG1-CD2 3.73Å; V21-L70 HydrophobicContact CG1-CG 4.46Å; V21-L70 HydrophobicContact CG2-CD2 4.2Å
22S97.4Very high97.6Very high48 Ų4859.5 Ų59.534%0.33632%0.323SS..Hα-helixtrans-59.6-46.6174.6-57.30000111.9G18 M20 V24 L25 F26G18-S22 PolarHBondContact O-N 3.11Å; G18-S22 PolarHBondContact O-OG 2.92Å; M20-S22 VanDerWaalsContact C-N 3.34Å; S22-V24 VanDerWaalsContact C-N 3.35Å; S22-V24 PolarHBondContact O-N 3.32Å; S22-L25 WeakPolarHBondContact O-CB 3.44Å; S22-L25 PolarHBondContact O-N 3.07Å; S22-F26 WeakPolarHBondContact O-CD1 3.07Å; S22-F26 VanDerWaalsContact O-CD2 3.24Å; S22-F26 WeakPolarHBondContact O-CD2 3.37Å; S22-F26 WeakPolarHBondContact O-CG 3.27Å; S22-F26 PolarHBondContact O-N 3.09Å
23Q98.4Very high97.7Very high67 Ų6754.6 Ų54.631%0.31330%0.297SS..Hα-helixtrans-64.4-35.4179.2-80.2-68.3-16.500113.4F19 M20 F26 A27 Y114F19-Q23 WeakPolarHBondContact O-CG 3.5Å; F19-Q23 PolarHBondContact O-N 3.46Å; M20-Q23 PolarHBondContact O-N 3.37Å; Q23-F26 PolarHBondContact O-N 3.05Å; Q23-A27 WeakPolarHBondContact O-CB 3.32Å; Q23-A27 PolarHBondContact O-N 2.9Å; Q23-Y114 HydrophobicContact CG-CD2 4.35Å; Q23-Y114 HydrophobicContact CG-CE1 4.09Å; Q23-Y114 HydrophobicContact CG-CE2 3.7Å; Q23-Y114 VanDerWaalsContact NE2-CG 3.27Å
24V98.8Very high97.9Very high21 Ų2152.2 Ų52.213%0.12728%0.284CS..Hα-helixtrans-61-47.2172.7163.30000110.8M20 V21 S22 A27 A28 L63 I66 L70M20-V24 WeakPolarHBondContact O-CG2 3.45Å; M20-V24 PolarHBondContact O-N 2.97Å; V21-V24 PolarHBondContact O-N 3.02Å; S22-V24 VanDerWaalsContact C-N 3.35Å; S22-V24 PolarHBondContact O-N 3.32Å; V24-A27 PolarHBondContact O-N 3.12Å; V24-A28 WeakPolarHBondContact O-CB 3.39Å; V24-A28 PolarHBondContact O-N 3.26Å; V24-L63 HydrophobicContact CB-CD1 4.35Å; V24-L63 HydrophobicContact CG1-CD1 3.86Å; V24-L63 HydrophobicContact CG2-CD1 4.41Å; V24-I66 HydrophobicContact CB-CG2 4.4Å; V24-I66 HydrophobicContact CG1-CB 4.29Å; V24-I66 HydrophobicContact CG1-CG2 3.86Å; V24-I66 HydrophobicContact CG2-CD1 4.21Å; V24-I66 HydrophobicContact CG2-CG2 4.06Å; V24-L70 HydrophobicContact CG1-CD1 4.02Å
25L98.7Very high98Very high38 Ų3848.5 Ų48.520%0.19926%0.264CS..Hα-helixtrans-61.4-47177176.561.4000111.6V21 S22 A28 C29 L72 L94 L106V21-L25 PolarHBondContact O-N 3.19Å; V21-L25 VanDerWaalsContact O-N 3.17Å; S22-L25 WeakPolarHBondContact O-CB 3.44Å; S22-L25 PolarHBondContact O-N 3.07Å; L25-A28 PolarHBondContact O-N 3.36Å; L25-C29 PolarHBondContact O-N 3.24Å; L25-C29 VanDerWaalsContact O-N 3.08Å; L25-C29 PolarHBondContact O-SG 3.27Å; L25-L72 HydrophobicContact CD1-CD1 3.92Å; L25-L94 HydrophobicContact CD1-CD1 3.78Å; L25-L94 HydrophobicContact CD1-CD2 4.06Å; L25-L106 HydrophobicContact CD1-CD1 4.13Å; L25-L106 HydrophobicContact CD2-CD1 4.07Å; L25-L106 HydrophobicContact CD2-CD2 3.72Å; L25-L106 HydrophobicContact CG-CD1 4.07Å; L25-L106 HydrophobicContact CG-CD2 4.26Å
26F98.6Very high98.1Very high23 Ų2342.3 Ų42.310%0.10124%0.242CC..Hα-helixtrans-63.4-45.1179.5-57-25.7000111.8S22 Q23 A28 C29 E30 L106 M109 G110 Y114S22-F26 WeakPolarHBondContact O-CD1 3.07Å; S22-F26 VanDerWaalsContact O-CD2 3.24Å; S22-F26 WeakPolarHBondContact O-CD2 3.37Å; S22-F26 WeakPolarHBondContact O-CG 3.27Å; S22-F26 PolarHBondContact O-N 3.09Å; Q23-F26 PolarHBondContact O-N 3.05Å; F26-A28 PolarHBondContact O-N 2.73Å; F26-C29 PolarHBondContact O-N 3.4Å; F26-E30 WeakPolarHBondContact O-CB 3.43Å; F26-E30 PolarHBondContact O-N 3.28Å; F26-L106 HydrophobicContact CD1-CB 4.11Å; F26-L106 HydrophobicContact CD1-CD2 4.15Å; F26-L106 VanDerWaalsContact CD1-O 3.26Å; F26-L106 WeakPolarHBondContact CD1-O 3.37Å; F26-L106 HydrophobicContact CE1-CB 4.41Å; F26-L106 HydrophobicContact CE1-CD2 3.77Å; F26-M109 HydrophobicContact CE1-CB 4.02Å; F26-M109 HydrophobicContact CE2-CB 4.49Å; F26-M109 HydrophobicContact CZ-CB 3.84Å; F26-G110 VanDerWaalsContact CD2-CA 3.41Å; F26-Y114 HydrophobicContact CE2-CD2 4.01Å
27A98.8Very high98.2Very high35 Ų3540.4 Ų40.429%0.28923%0.225SC..Hα-helixtrans-63.8-40.5178.300000112.1Q23 V24 C29 E30 L31 L63Q23-A27 WeakPolarHBondContact O-CB 3.32Å; Q23-A27 PolarHBondContact O-N 2.9Å; V24-A27 PolarHBondContact O-N 3.12Å; A27-C29 VanDerWaalsContact C-N 3.34Å; A27-C29 PolarHBondContact O-N 3.27Å; A27-E30 PolarHBondContact O-N 3.46Å; A27-L31 VanDerWaalsContact O-CB 3.29Å; A27-L31 WeakPolarHBondContact O-CB 3.43Å; A27-L31 VanDerWaalsContact O-CG 3.26Å; A27-L31 WeakPolarHBondContact O-CG 3.39Å; A27-L31 PolarHBondContact O-N 2.9Å; A27-L63 HydrophobicContact CB-CD1 4.39Å
28A98.8Very high98.4Very high0 Ų039.7 Ų39.70%023%0.228CC..Hα-helixtrans-63.8-38.817600000112.3V24 L25 F26 G32 V33 F34 L63V24-A28 WeakPolarHBondContact O-CB 3.39Å; V24-A28 PolarHBondContact O-N 3.26Å; L25-A28 PolarHBondContact O-N 3.36Å; F26-A28 PolarHBondContact O-N 2.73Å; A28-G32 PolarHBondContact O-N 2.99Å; A28-V33 HydrophobicContact CB-CB 4.47Å; A28-V33 HydrophobicContact CB-CG2 4.47Å; A28-V33 PolarHBondContact O-N 2.87Å; A28-V33 VanDerWaalsContact O-N 3.07Å; A28-F34 HydrophobicContact CB-CE2 3.6Å; A28-F34 HydrophobicContact CB-CZ 3.63Å; A28-L63 HydrophobicContact CB-CD2 4.32Å
29C98.4Very high98.4Very high3 Ų345.9 Ų45.92%0.0225%0.25CC..Hα-helixtrans-66.9-46173.3-64.30000111.7L25 F26 A27 L31 G32 K107L25-C29 PolarHBondContact O-N 3.24Å; L25-C29 VanDerWaalsContact O-N 3.08Å; L25-C29 PolarHBondContact O-SG 3.27Å; F26-C29 PolarHBondContact O-N 3.4Å; A27-C29 VanDerWaalsContact C-N 3.34Å; A27-C29 PolarHBondContact O-N 3.27Å; C29-L31 VanDerWaalsContact C-N 3.35Å; C29-L31 PolarHBondContact O-N 2.86Å; C29-G32 PolarHBondContact O-N 3.18Å; C29-G32 VanDerWaalsContact O-N 3.16Å; C29-K107 VanDerWaalsContact C-CE 3.47Å; C29-K107 HydrophobicContact CB-CG 4.24Å; C29-K107 WeakPolarHBondContact O-CE 3.31Å; C29-K107 PolarHBondContact O-NZ 3.41Å
30E98.2Very high98.4Very high89 Ų8941.9 Ų41.942%0.41624%0.237SC..Hα-helixtrans-60-43.5179.6-174.873.5173.300111.9F26 A27 G32 R111F26-E30 WeakPolarHBondContact O-CB 3.43Å; F26-E30 PolarHBondContact O-N 3.28Å; A27-E30 PolarHBondContact O-N 3.46Å; E30-G32 PolarHBondContact O-N 3.01Å; E30-R111 IonicContact OE1-CZ 3.21Å; E30-R111 VanDerWaalsContact OE1-CZ 3.3Å; E30-R111 IonicContact OE1-NE 3.15Å; E30-R111 PolarHBondContact OE1-NE 3.19Å; E30-R111 VanDerWaalsContact OE1-NE 3.08Å; E30-R111 IonicContact OE1-NH2 2.82Å; E30-R111 PolarHBondContact OE1-NH2 3.04Å; E30-R111 IonicContact OE2-CZ 3.8Å; E30-R111 IonicContact OE2-NE 2.71Å; E30-R111 PolarHBondContact OE2-NE 3.43Å; E30-R111 VanDerWaalsContact OE2-NE 3.15Å; E30-R111 IonicContact OE2-NH2 3.3Å; E30-R111 PolarHBondContact OE2-NH2 2.98Å
31L98.6Very high98.3Very high70 Ų7044.8 Ų44.837%0.36626%0.262SS..THydrogen-bonded Turntrans-74.5-12.4178.6-71.4170.6000113.4A27 C29 V33 V53 L63A27-L31 VanDerWaalsContact O-CB 3.29Å; A27-L31 WeakPolarHBondContact O-CB 3.43Å; A27-L31 VanDerWaalsContact O-CG 3.26Å; A27-L31 WeakPolarHBondContact O-CG 3.39Å; A27-L31 PolarHBondContact O-N 2.9Å; C29-L31 VanDerWaalsContact C-N 3.35Å; C29-L31 PolarHBondContact O-N 2.86Å; L31-V33 HydrophobicContact CB-CG2 4.12Å; L31-V53 HydrophobicContact CB-CB 4.2Å; L31-V53 WeakPolarHBondContact O-CB 3.29Å; L31-V53 VanDerWaalsContact O-CG1 3.26Å; L31-V53 WeakPolarHBondContact O-CG1 3.48Å; L31-L63 HydrophobicContact CD1-CD2 3.79Å
32G98.6Very high98.3Very high18 Ų1843.1 Ų43.119%0.18626%0.259CS..THydrogen-bonded Turntrans71.730.3-178.900000113.6A28 C29 E30 F34 L36A28-G32 PolarHBondContact O-N 2.99Å; C29-G32 PolarHBondContact O-N 3.18Å; C29-G32 VanDerWaalsContact O-N 3.16Å; E30-G32 PolarHBondContact O-N 3.01Å; G32-F34 VanDerWaalsContact C-N 3.34Å; G32-F34 PolarHBondContact O-N 3.38Å; G32-L36 WeakPolarHBondContact O-CB 3.42Å; G32-L36 PolarHBondContact O-N 3.3Å
33V98.8Very high98.3Very high1 Ų142.3 Ų42.31%0.00625%0.252CS..Hα-helixtrans-59.9-45.2-178.3172.80000111.3A28 L31 L36 L37 V49 V53 L63 L64 L73A28-V33 HydrophobicContact CB-CB 4.47Å; A28-V33 HydrophobicContact CB-CG2 4.47Å; A28-V33 PolarHBondContact O-N 2.87Å; A28-V33 VanDerWaalsContact O-N 3.07Å; L31-V33 HydrophobicContact CB-CG2 4.12Å; V33-L36 PolarHBondContact O-N 3.37Å; V33-L37 HydrophobicContact CG1-CD1 4.01Å; V33-L37 VanDerWaalsContact O-CG 3.3Å; V33-L37 WeakPolarHBondContact O-CG 3.29Å; V33-L37 PolarHBondContact O-N 3.24Å; V33-L37 VanDerWaalsContact O-N 3.08Å; V33-V49 HydrophobicContact CG1-CG1 4.46Å; V33-V53 HydrophobicContact CG2-CG1 4.12Å; V33-L63 HydrophobicContact CG2-CD2 4.23Å; V33-L64 HydrophobicContact CG1-CD2 3.73Å; V33-L73 HydrophobicContact CG1-CD1 4.41Å
34F98.8Very high98.3Very high2 Ų240.7 Ų40.71%0.00925%0.245CC..Hα-helixtrans-70.3-38.7-175.4-53.7-64000112.4A28 G32 L37 A38 L72 L73 N86 L94 T95A28-F34 HydrophobicContact CB-CE2 3.6Å; A28-F34 HydrophobicContact CB-CZ 3.63Å; G32-F34 VanDerWaalsContact C-N 3.34Å; G32-F34 PolarHBondContact O-N 3.38Å; F34-L37 PolarHBondContact O-N 2.91Å; F34-A38 WeakPolarHBondContact O-CB 3.46Å; F34-A38 PolarHBondContact O-N 2.8Å; F34-L72 HydrophobicContact CE1-CB 4.37Å; F34-L73 HydrophobicContact CD1-CD2 3.91Å; F34-L73 HydrophobicContact CE1-CD2 3.91Å; F34-L73 HydrophobicContact CE1-CG 4.27Å; F34-N86 WeakPolarHBondContact CD1-OD1 3.29Å; F34-N86 PolarHBondContact O-ND2 3.09Å; F34-L94 HydrophobicContact CB-CB 4.21Å; F34-L94 WeakPolarHBondContact CB-O 3.22Å; F34-L94 HydrophobicContact CD1-CB 4.32Å; F34-L94 HydrophobicContact CD1-CD1 4.41Å; F34-L94 HydrophobicContact CD2-CB 3.57Å; F34-L94 HydrophobicContact CD2-CD1 4.21Å; F34-L94 HydrophobicContact CD2-CG 4.47Å; F34-L94 HydrophobicContact CE1-CD1 3.97Å; F34-L94 HydrophobicContact CE2-CB 3.96Å; F34-L94 HydrophobicContact CE2-CD1 3.75Å; F34-L94 HydrophobicContact CE2-CG 4.39Å; F34-L94 HydrophobicContact CG-CB 3.77Å; F34-L94 HydrophobicContact CZ-CB 4.48Å; F34-L94 HydrophobicContact CZ-CD1 3.61Å; F34-T95 HydrophobicContact CB-CG2 4.35Å
35D98.8Very high98.3Very high29 Ų2941.3 Ų41.316%0.15525%0.248CC..Hα-helixtrans-63.9-47.5174.1-71.7-38.1000110.8L37 A38 E39 T95 T96D35-L37 VanDerWaalsContact C-N 3.25Å; D35-L37 PolarHBondContact O-N 3.42Å; D35-A38 WeakPolarHBondContact O-CB 3.36Å; D35-A38 PolarHBondContact O-N 2.93Å; D35-E39 WeakPolarHBondContact O-CG 3.4Å; D35-E39 PolarHBondContact O-N 2.9Å; D35-T95 WeakPolarHBondContact OD1-CA 3.32Å; D35-T96 PolarHBondContact OD1-N 3.46Å; D35-T96 PolarHBondContact OD1-OG1 3.39Å; D35-T96 PolarHBondContact OD2-OG1 3.25Å
36L98.8Very high98.3Very high38 Ų3840.6 Ų40.620%0.19925%0.245CC..Hα-helixtrans-56.4-41176.717966.5000112.1G32 V33 A40 L44 V49 V53G32-L36 WeakPolarHBondContact O-CB 3.42Å; G32-L36 PolarHBondContact O-N 3.3Å; V33-L36 PolarHBondContact O-N 3.37Å; L36-A40 WeakPolarHBondContact O-CB 3.49Å; L36-A40 PolarHBondContact O-N 3.08Å; L36-L44 HydrophobicContact CD1-CD1 4.44Å; L36-L44 HydrophobicContact CD2-CD1 4.22Å; L36-L44 HydrophobicContact CG-CD1 3.88Å; L36-V49 HydrophobicContact CD2-CB 4.48Å; L36-V49 HydrophobicContact CD2-CG1 4.27Å; L36-V53 HydrophobicContact CD2-CG1 3.79Å
37L98.7Very high98.3Very high14 Ų1442.6 Ų42.67%0.07327%0.266CS..Hα-helixtrans-71.9-27.2177.1-71.3172.8000113.3V33 F34 D35 L44 V49 L73 Y84V33-L37 HydrophobicContact CG1-CD1 4.01Å; V33-L37 VanDerWaalsContact O-CG 3.3Å; V33-L37 WeakPolarHBondContact O-CG 3.29Å; V33-L37 PolarHBondContact O-N 3.24Å; V33-L37 VanDerWaalsContact O-N 3.08Å; F34-L37 PolarHBondContact O-N 2.91Å; D35-L37 VanDerWaalsContact C-N 3.25Å; D35-L37 PolarHBondContact O-N 3.42Å; L37-L44 HydrophobicContact CD2-CB 3.92Å; L37-L44 HydrophobicContact CD2-CD1 4.1Å; L37-L44 HydrophobicContact CD2-CG 4.05Å; L37-V49 HydrophobicContact CD2-CG2 4.26Å; L37-L73 HydrophobicContact CD1-CD1 4.07Å; L37-L73 HydrophobicContact CD1-CD2 3.54Å; L37-L73 HydrophobicContact CD1-CG 4.47Å; L37-Y84 WeakPolarHBondContact CD2-O 3.49Å
38A98.4Very high98.3Very high52 Ų5242.9 Ų42.943%0.4327%0.268SS..Hα-helixtrans-78.6-35.9177.100000112.3F34 D35 T95F34-A38 WeakPolarHBondContact O-CB 3.46Å; F34-A38 PolarHBondContact O-N 2.8Å; D35-A38 WeakPolarHBondContact O-CB 3.36Å; D35-A38 PolarHBondContact O-N 2.93Å; A38-T95 HydrophobicContact CB-CG2 3.84Å
39E98.2Very high98.3Very high156 Ų15642.9 Ų42.973%0.72927%0.268SS*.Hα-helixtrans-76.3-23.9178.4-69.1177.7178.900113D35D35-E39 WeakPolarHBondContact O-CG 3.4Å; D35-E39 PolarHBondContact O-N 2.9Å
40A97.6Very high98.3Very high23 Ų2343 Ų4319%0.1927%0.27CS..SBendtrans-67.7142.9179.800000112L36 G42 L44L36-A40 WeakPolarHBondContact O-CB 3.49Å; L36-A40 PolarHBondContact O-N 3.08Å; A40-G42 WeakPolarHBondContact CB-O 3.35Å; A40-G42 PolarHBondContact O-N 2.99Å; A40-L44 HydrophobicContact CB-CD1 3.95Å; A40-L44 HydrophobicContact CB-CD2 3.83Å; A40-L44 HydrophobicContact CB-CG 3.84Å
41P96Very high98.3Very high147 Ų14742.4 Ų42.496%0.95528%0.28SS*.SBendtrans-68.1-6.7177.429-36.1000113.6
42G96.5Very high98.3Very high32 Ų3240.8 Ų40.833%0.3328%0.28SS..SBendtrans-172.7-176.9-177.800000111.4A40A40-G42 WeakPolarHBondContact CB-O 3.35Å; A40-G42 PolarHBondContact O-N 2.99Å
43P98Very high98.3Very high30 Ų3040.5 Ų40.520%0.19528%0.275CS..  trans-68.7145.3-176.833.4-37.9000110.9E76 F83 Y84 R85P43-E76 WeakPolarHBondContact CG-OE1 3.26Å; P43-F83 HydrophobicContact CB-CB 3.95Å; P43-F83 HydrophobicContact CG-CB 4.16Å; P43-F83 WeakPolarHBondContact O-CD1 3.46Å; P43-Y84 CarbonylContact C-O 3.45Å; P43-Y84 WeakPolarHBondContact CA-O 3.11Å; P43-Y84 VanDerWaalsContact CB-O 3.26Å; P43-Y84 WeakPolarHBondContact CB-O 3.27Å; P43-R85 HydrophobicContact CB-CB 4.23Å
44L98.6Very high98.3Very high34 Ų3451 Ų5118%0.17831%0.314CS..EExtended strand (participates in β ladder)trans-107.4145.6-174.6-63.2-176.2000111.4L36 L37 A40 A48 V49 F83 Y84L36-L44 HydrophobicContact CD1-CD1 4.44Å; L36-L44 HydrophobicContact CD2-CD1 4.22Å; L36-L44 HydrophobicContact CG-CD1 3.88Å; L37-L44 HydrophobicContact CD2-CB 3.92Å; L37-L44 HydrophobicContact CD2-CD1 4.1Å; L37-L44 HydrophobicContact CD2-CG 4.05Å; A40-L44 HydrophobicContact CB-CD1 3.95Å; A40-L44 HydrophobicContact CB-CD2 3.83Å; A40-L44 HydrophobicContact CB-CG 3.84Å; L44-A48 HydrophobicContact CB-CB 4.15Å; L44-A48 HydrophobicContact CD2-CB 4.18Å; L44-V49 HydrophobicContact CB-CG2 3.74Å; L44-V49 HydrophobicContact CD1-CG2 4.24Å; L44-F83 CarbonylContact O-C 3.58Å; L44-F83 WeakPolarHBondContact O-CA 3.14Å; L44-Y84 PolarHBondContact N-O 3.23Å; L44-Y84 WeakPolarHBondContact O-CD2 3.43Å; L44-Y84 PolarHBondContact O-N 3.38Å
45D98.5Very high98.3Very high33 Ų3352.8 Ų52.818%0.17633%0.329CS..EExtended strand (participates in β ladder)trans-83.1170.5169.771.910.6000111.8A47 A48 V49 A82 F83D45-A47 PolarHBondContact O-N 3.3Å; D45-A47 PolarHBondContact OD1-N 3.22Å; D45-A48 PolarHBondContact O-N 3.49Å; D45-A48 WeakPolarHBondContact OD1-CB 3.21Å; D45-A48 PolarHBondContact OD1-N 3.13Å; D45-V49 WeakPolarHBondContact O-CG2 3.09Å; D45-V49 PolarHBondContact O-N 3.08Å; D45-A82 WeakPolarHBondContact CA-O 3.28Å; D45-A82 WeakPolarHBondContact CB-O 3.4Å; D45-F83 HydrophobicContact CB-CD1 4.09Å; D45-F83 HydrophobicContact CB-CE1 3.95Å; D45-F83 HydrophobicContact CB-CZ 4.37Å
46V98.5Very high98.3Very high23 Ų2355.1 Ų55.114%0.13935%0.348CS..Hα-helixtrans-54.3-41.5-179.21780000111.8V49 A50 A57 T60 E61 L64 Y84V46-V49 PolarHBondContact O-N 3.41Å; V46-A50 WeakPolarHBondContact O-CB 3.3Å; V46-A50 PolarHBondContact O-N 3.04Å; V46-A57 WeakPolarHBondContact CG1-O 3.46Å; V46-T60 HydrophobicContact CG1-CG2 4.42Å; V46-E61 HydrophobicContact CG1-CB 3.9Å; V46-E61 HydrophobicContact CG2-CB 4.27Å; V46-E61 HydrophobicContact CG2-CG 4.23Å; V46-L64 HydrophobicContact CG2-CD1 4.47Å; V46-Y84 HydrophobicContact CG2-CE2 3.65Å
47A98.3Very high98.2Very high66 Ų6656.3 Ų56.355%0.54536%0.363SS..Hα-helixtrans-67.1-42.2-176.700000111.5D45 A51D45-A47 PolarHBondContact O-N 3.3Å; D45-A47 PolarHBondContact OD1-N 3.22Å; A47-A51 WeakPolarHBondContact O-CB 3.45Å; A47-A51 PolarHBondContact O-N 3.28Å
48A98.6Very high98.2Very high40 Ų4061.6 Ų61.633%0.33139%0.387SS..Hα-helixtrans-64.3-44.1175.400000111.9L44 D45 G52L44-A48 HydrophobicContact CB-CB 4.15Å; L44-A48 HydrophobicContact CD2-CB 4.18Å; D45-A48 PolarHBondContact O-N 3.49Å; D45-A48 WeakPolarHBondContact OD1-CB 3.21Å; D45-A48 PolarHBondContact OD1-N 3.13Å; A48-G52 PolarHBondContact O-N 3.05Å
49V98.8Very high98.2Very high0 Ų060.8 Ų60.80%038%0.384CS..Hα-helixtrans-63.5-50176.7178.30000110.7V33 L36 L37 L44 D45 V46 A51 G52 V53 T60 L64V33-V49 HydrophobicContact CG1-CG1 4.46Å; L36-V49 HydrophobicContact CD2-CB 4.48Å; L36-V49 HydrophobicContact CD2-CG1 4.27Å; L37-V49 HydrophobicContact CD2-CG2 4.26Å; L44-V49 HydrophobicContact CB-CG2 3.74Å; L44-V49 HydrophobicContact CD1-CG2 4.24Å; D45-V49 WeakPolarHBondContact O-CG2 3.09Å; D45-V49 PolarHBondContact O-N 3.08Å; V46-V49 PolarHBondContact O-N 3.41Å; V49-A51 VanDerWaalsContact C-N 3.27Å; V49-A51 PolarHBondContact O-N 3.33Å; V49-G52 PolarHBondContact O-N 3.11Å; V49-G52 VanDerWaalsContact O-N 3.07Å; V49-V53 HydrophobicContact CG1-CG1 4.34Å; V49-V53 WeakPolarHBondContact O-CG2 3.21Å; V49-V53 PolarHBondContact O-N 3.24Å; V49-T60 HydrophobicContact CB-CG2 4Å; V49-T60 HydrophobicContact CG1-CG2 3.66Å; V49-L64 HydrophobicContact CB-CD1 4.03Å; V49-L64 HydrophobicContact CG1-CD1 4.07Å; V49-L64 HydrophobicContact CG1-CD2 4.27Å; V49-L64 HydrophobicContact CG2-CD1 4.07Å
50A98.8Very high98.2Very high7 Ų753.5 Ų53.56%0.05835%0.35CS..Hα-helixtrans-58.3-40.5-178.400000111.9V46 R54 A55 T60V46-A50 WeakPolarHBondContact O-CB 3.3Å; V46-A50 PolarHBondContact O-N 3.04Å; A50-R54 WeakPolarHBondContact O-CA 3.37Å; A50-R54 PolarHBondContact O-N 3.43Å; A50-A55 PolarHBondContact O-N 2.84Å; A50-T60 HydrophobicContact CB-CG2 4.05Å; A50-T60 WeakPolarHBondContact CB-OG1 3.15Å
51A98.7Very high98.3Very high75 Ų7556.6 Ų56.662%0.6236%0.361SS*.Hα-helixtrans-65.6-45.7174.500000112.1A47 V49 R54A47-A51 WeakPolarHBondContact O-CB 3.45Å; A47-A51 PolarHBondContact O-N 3.28Å; V49-A51 VanDerWaalsContact C-N 3.27Å; V49-A51 PolarHBondContact O-N 3.33Å; A51-R54 PolarHBondContact O-N 3.15Å
52G98.6Very high98.4Very high37 Ų3753.8 Ų53.838%0.38134%0.337SS..Hα-helixtrans-63.6-43-179.300000113.3A48 V49A48-G52 PolarHBondContact O-N 3.05Å; V49-G52 PolarHBondContact O-N 3.11Å; V49-G52 VanDerWaalsContact O-N 3.07Å
53V98.4Very high98.5Very high12 Ų1253.2 Ų53.27%0.07333%0.326CS..Hα-helixtrans-89.80.5179-49.80000113.8L31 V33 L36 V49 A55L31-V53 HydrophobicContact CB-CB 4.2Å; L31-V53 WeakPolarHBondContact O-CB 3.29Å; L31-V53 VanDerWaalsContact O-CG1 3.26Å; L31-V53 WeakPolarHBondContact O-CG1 3.48Å; V33-V53 HydrophobicContact CG2-CG1 4.12Å; L36-V53 HydrophobicContact CD2-CG1 3.79Å; V49-V53 HydrophobicContact CG1-CG1 4.34Å; V49-V53 WeakPolarHBondContact O-CG2 3.21Å; V49-V53 PolarHBondContact O-N 3.24Å; V53-A55 HydrophobicContact CG2-CB 3.76Å; V53-A55 PolarHBondContact O-N 3.09Å
54R98.4Very high98.5Very high222 Ų22251.8 Ų51.884%0.83832%0.317SS*.THydrogen-bonded Turntrans55.148.1-179.2-57.2-179.2-66.4-82.1-0.6113.4A50 A51A50-R54 WeakPolarHBondContact O-CA 3.37Å; A50-R54 PolarHBondContact O-N 3.43Å; A51-R54 PolarHBondContact O-N 3.15Å
55A98.4Very high98.5Very high39 Ų3953.4 Ų53.432%0.32233%0.326SS..  trans-118.4170.4179.300000112.3A50 V53 T60A50-A55 PolarHBondContact O-N 2.84Å; V53-A55 HydrophobicContact CG2-CB 3.76Å; V53-A55 PolarHBondContact O-N 3.09Å; A55-T60 WeakPolarHBondContact CB-OG1 3.43Å
56S98.6Very high98.6Very high78 Ų7855.2 Ų55.255%0.54534%0.335SS..  trans-70.1145.6174.672.60000110.8H58 G59 T60S56-H58 VanDerWaalsContact C-N 3.34Å; S56-H58 PolarHBondContact O-N 3.12Å; S56-G59 PolarHBondContact O-N 3.31Å; S56-G59 PolarHBondContact OG-N 3.47Å; S56-G59 VanDerWaalsContact OG-N 3.14Å; S56-T60 VanDerWaalsContact O-CB 3.31Å; S56-T60 WeakPolarHBondContact O-CB 3.26Å; S56-T60 PolarHBondContact O-N 2.98Å; S56-T60 PolarHBondContact O-OG1 3.38Å
57A97.9Very high98.6Very high63 Ų6354.1 Ų54.152%0.52133%0.328SS..Hα-helixtrans-58.4-46.1178.500000111.8V46 T60 E61V46-A57 WeakPolarHBondContact CG1-O 3.46Å; A57-T60 PolarHBondContact O-N 3.26Å; A57-E61 WeakPolarHBondContact O-CB 3.47Å; A57-E61 PolarHBondContact O-N 3.23Å
58H98.3Very high98.6Very high125 Ų12552.7 Ų52.758%0.57931%0.313SS*.Hα-helixtrans-64.7-45-179.3-177.953.7000113.1S56 T60 E61 L62S56-H58 VanDerWaalsContact C-N 3.34Å; S56-H58 PolarHBondContact O-N 3.12Å; H58-T60 VanDerWaalsContact C-N 3.32Å; H58-T60 PolarHBondContact O-N 3.28Å; H58-E61 PolarHBondContact O-N 2.87Å; H58-L62 WeakPolarHBondContact O-CG 3.5Å; H58-L62 PolarHBondContact O-N 2.88Å; H58-L62 VanDerWaalsContact O-N 3.16Å
59G98.6Very high98.6Very high34 Ų3455.5 Ų55.535%0.35133%0.33SS..Hα-helixtrans-66-37.2177.600000112.2S56 L63S56-G59 PolarHBondContact O-N 3.31Å; S56-G59 PolarHBondContact OG-N 3.47Å; S56-G59 VanDerWaalsContact OG-N 3.14Å; G59-L63 WeakPolarHBondContact O-CB 3.45Å; G59-L63 PolarHBondContact O-N 3.3Å
60T98.8Very high98.5Very high4 Ų458.3 Ų58.33%0.02535%0.345CS..Hα-helixtrans-65.6-44.7176.6-55.30000111.4V46 V49 A50 A55 S56 A57 H58 L63 L64V46-T60 HydrophobicContact CG1-CG2 4.42Å; V49-T60 HydrophobicContact CB-CG2 4Å; V49-T60 HydrophobicContact CG1-CG2 3.66Å; A50-T60 HydrophobicContact CB-CG2 4.05Å; A50-T60 WeakPolarHBondContact CB-OG1 3.15Å; A55-T60 WeakPolarHBondContact CB-OG1 3.43Å; S56-T60 VanDerWaalsContact O-CB 3.31Å; S56-T60 WeakPolarHBondContact O-CB 3.26Å; S56-T60 PolarHBondContact O-N 2.98Å; S56-T60 PolarHBondContact O-OG1 3.38Å; A57-T60 PolarHBondContact O-N 3.26Å; H58-T60 VanDerWaalsContact C-N 3.32Å; H58-T60 PolarHBondContact O-N 3.28Å; T60-L63 PolarHBondContact O-N 3.15Å; T60-L64 HydrophobicContact CG2-CD1 3.75Å; T60-L64 HydrophobicContact CG2-CG 4.13Å; T60-L64 WeakPolarHBondContact O-CB 3.29Å; T60-L64 WeakPolarHBondContact O-CG 3.4Å; T60-L64 PolarHBondContact O-N 2.88Å
61E98.6Very high98.5Very high88 Ų8865.8 Ų65.841%0.41138%0.376SS..Hα-helixtrans-56.7-51.6176.3-173.1172.8-136.800111.3V46 A57 H58 L63 L64 D65V46-E61 HydrophobicContact CG1-CB 3.9Å; V46-E61 HydrophobicContact CG2-CB 4.27Å; V46-E61 HydrophobicContact CG2-CG 4.23Å; A57-E61 WeakPolarHBondContact O-CB 3.47Å; A57-E61 PolarHBondContact O-N 3.23Å; H58-E61 PolarHBondContact O-N 2.87Å; E61-L63 VanDerWaalsContact C-N 3.34Å; E61-L63 PolarHBondContact O-N 3.2Å; E61-L64 PolarHBondContact O-N 3.37Å; E61-D65 WeakPolarHBondContact O-CB 3.3Å; E61-D65 VanDerWaalsContact O-CG 3.3Å; E61-D65 PolarHBondContact O-N 2.8Å
62L98.6Very high98.5Very high87 Ų8763 Ų6346%0.45535%0.351SS..Hα-helixtrans-58.6-44.8177.4-69.7175.5000112.2H58 I66H58-L62 WeakPolarHBondContact O-CG 3.5Å; H58-L62 PolarHBondContact O-N 2.88Å; H58-L62 VanDerWaalsContact O-N 3.16Å; L62-I66 WeakPolarHBondContact O-CB 3.44Å; L62-I66 WeakPolarHBondContact O-CD1 3.06Å; L62-I66 WeakPolarHBondContact O-CG1 3.42Å; L62-I66 PolarHBondContact O-N 2.92Å
63L98.8Very high98.5Very high21 Ų2161.5 Ų61.511%0.1133%0.334CS..Hα-helixtrans-61.6-47.1179-174.471.2000111.4V24 A27 A28 L31 V33 G59 T60 E61 I66 C67V24-L63 HydrophobicContact CB-CD1 4.35Å; V24-L63 HydrophobicContact CG1-CD1 3.86Å; V24-L63 HydrophobicContact CG2-CD1 4.41Å; A27-L63 HydrophobicContact CB-CD1 4.39Å; A28-L63 HydrophobicContact CB-CD2 4.32Å; L31-L63 HydrophobicContact CD1-CD2 3.79Å; V33-L63 HydrophobicContact CG2-CD2 4.23Å; G59-L63 WeakPolarHBondContact O-CB 3.45Å; G59-L63 PolarHBondContact O-N 3.3Å; T60-L63 PolarHBondContact O-N 3.15Å; E61-L63 VanDerWaalsContact C-N 3.34Å; E61-L63 PolarHBondContact O-N 3.2Å; L63-I66 PolarHBondContact O-N 3.32Å; L63-C67 WeakPolarHBondContact O-CB 3.27Å; L63-C67 PolarHBondContact O-N 2.75Å; L63-C67 PolarHBondContact O-SG 2.89Å; L63-C67 VanDerWaalsContact O-SG 3.32Å
64L98.8Very high98.5Very high0 Ų065.3 Ų65.30%035%0.349CS..Hα-helixtrans-65.5-42.8-179.5-69175.3000111.8V33 V46 V49 T60 E61 C67 V68 L73 Y84V33-L64 HydrophobicContact CG1-CD2 3.73Å; V46-L64 HydrophobicContact CG2-CD1 4.47Å; V49-L64 HydrophobicContact CB-CD1 4.03Å; V49-L64 HydrophobicContact CG1-CD1 4.07Å; V49-L64 HydrophobicContact CG1-CD2 4.27Å; V49-L64 HydrophobicContact CG2-CD1 4.07Å; T60-L64 HydrophobicContact CG2-CD1 3.75Å; T60-L64 HydrophobicContact CG2-CG 4.13Å; T60-L64 WeakPolarHBondContact O-CB 3.29Å; T60-L64 WeakPolarHBondContact O-CG 3.4Å; T60-L64 PolarHBondContact O-N 2.88Å; E61-L64 PolarHBondContact O-N 3.37Å; L64-C67 WeakPolarHBondContact O-CB 3.44Å; L64-C67 PolarHBondContact O-N 2.87Å; L64-V68 WeakPolarHBondContact O-CG2 3.33Å; L64-V68 PolarHBondContact O-N 3.15Å; L64-L73 HydrophobicContact CD2-CD1 3.5Å; L64-L73 VanDerWaalsContact CD2-CD1 3.5Å; L64-Y84 HydrophobicContact CB-CD1 3.84Å; L64-Y84 HydrophobicContact CB-CE1 3.55Å; L64-Y84 HydrophobicContact CB-CE2 4.32Å; L64-Y84 HydrophobicContact CB-CG 4.33Å; L64-Y84 HydrophobicContact CD1-CD1 4.44Å; L64-Y84 HydrophobicContact CD1-CD2 3.75Å; L64-Y84 HydrophobicContact CD1-CE1 4.45Å; L64-Y84 HydrophobicContact CD1-CE2 3.79Å; L64-Y84 HydrophobicContact CD1-CG 4.1Å; L64-Y84 HydrophobicContact CD2-CG 4.48Å
65D98.6Very high98.5Very high67 Ų6757.7 Ų57.736%0.35833%0.327SS..Hα-helixtrans-66.9-37.3179.6-73.1-7.9000112.2E61 V68 S69 Y84E61-D65 WeakPolarHBondContact O-CB 3.3Å; E61-D65 VanDerWaalsContact O-CG 3.3Å; E61-D65 PolarHBondContact O-N 2.8Å; D65-V68 PolarHBondContact O-N 2.72Å; D65-S69 PolarHBondContact O-N 3.35Å; D65-S69 PolarHBondContact O-OG 2.89Å; D65-Y84 PolarHBondContact OD1-OH 3.34Å
66I98.6Very high98.5Very high71 Ų7158.4 Ų58.436%0.36432%0.324SS..Hα-helixtrans-66.9-44.2171.6-62.3163.3000109.9V24 L62 L63 V68 S69 L70V24-I66 HydrophobicContact CB-CG2 4.4Å; V24-I66 HydrophobicContact CG1-CB 4.29Å; V24-I66 HydrophobicContact CG1-CG2 3.86Å; V24-I66 HydrophobicContact CG2-CD1 4.21Å; V24-I66 HydrophobicContact CG2-CG2 4.06Å; L62-I66 WeakPolarHBondContact O-CB 3.44Å; L62-I66 WeakPolarHBondContact O-CD1 3.06Å; L62-I66 WeakPolarHBondContact O-CG1 3.42Å; L62-I66 PolarHBondContact O-N 2.92Å; L63-I66 PolarHBondContact O-N 3.32Å; I66-V68 VanDerWaalsContact C-N 3.26Å; I66-V68 PolarHBondContact O-N 3.47Å; I66-S69 CarbonylContact O-C 3.51Å; I66-S69 WeakPolarHBondContact O-CA 3.35Å; I66-S69 WeakPolarHBondContact O-CB 3.45Å; I66-S69 PolarHBondContact O-N 3.23Å; I66-L70 HydrophobicContact CG2-CD1 3.8Å; I66-L70 HydrophobicContact CG2-CG 4.07Å; I66-L70 WeakPolarHBondContact O-CB 3.47Å; I66-L70 VanDerWaalsContact O-CG 3.3Å; I66-L70 WeakPolarHBondContact O-CG 3.3Å; I66-L70 PolarHBondContact O-N 2.63Å
67C98.8Very high98.3Very high1 Ų160 Ų601%0.00733%0.33CS..Hα-helixtrans-58.4-35.8175.3-78.80000112.9L63 L64 K71 L72 L73L63-C67 WeakPolarHBondContact O-CB 3.27Å; L63-C67 PolarHBondContact O-N 2.75Å; L63-C67 PolarHBondContact O-SG 2.89Å; L63-C67 VanDerWaalsContact O-SG 3.32Å; L64-C67 WeakPolarHBondContact O-CB 3.44Å; L64-C67 PolarHBondContact O-N 2.87Å; C67-K71 PolarHBondContact O-N 3.26Å; C67-L72 HydrophobicContact CB-CB 4.24Å; C67-L72 WeakPolarHBondContact O-CA 3.49Å; C67-L72 WeakPolarHBondContact O-CB 3.29Å; C67-L72 PolarHBondContact O-N 3.15Å; C67-L73 HydrophobicContact CB-CB 4.37Å; C67-L73 HydrophobicContact CB-CD1 3.76Å; C67-L73 HydrophobicContact CB-CG 3.91Å; C67-L73 PolarHBondContact O-N 3.28Å
68V98.8Very high98.2Very high36 Ų3663.5 Ų63.522%0.21833%0.33CS..Hα-helixtrans-65.8-46172170.60000110.9L64 D65 I66 L70 K71 L73 V75 Y84L64-V68 WeakPolarHBondContact O-CG2 3.33Å; L64-V68 PolarHBondContact O-N 3.15Å; D65-V68 PolarHBondContact O-N 2.72Å; I66-V68 VanDerWaalsContact C-N 3.26Å; I66-V68 PolarHBondContact O-N 3.47Å; V68-L70 VanDerWaalsContact C-N 3.26Å; V68-L70 PolarHBondContact O-N 2.98Å; V68-K71 WeakPolarHBondContact O-CA 3.48Å; V68-K71 PolarHBondContact O-N 3.46Å; V68-L73 HydrophobicContact CG2-CB 3.95Å; V68-V75 HydrophobicContact CG1-CB 4.34Å; V68-V75 HydrophobicContact CG1-CG1 3.79Å; V68-V75 HydrophobicContact CG2-CB 3.94Å; V68-V75 HydrophobicContact CG2-CG1 4.28Å; V68-Y84 HydrophobicContact CG2-CD1 3.75Å; V68-Y84 HydrophobicContact CG2-CE1 3.89Å
69S98Very high97.9Very high99 Ų9961.9 Ų61.969%0.69235%0.347SS*.Hα-helixtrans-61.8-35178.4-58.50000112.4D65 I66 K71D65-S69 PolarHBondContact O-N 3.35Å; D65-S69 PolarHBondContact O-OG 2.89Å; I66-S69 CarbonylContact O-C 3.51Å; I66-S69 WeakPolarHBondContact O-CA 3.35Å; I66-S69 WeakPolarHBondContact O-CB 3.45Å; I66-S69 PolarHBondContact O-N 3.23Å; S69-K71 PolarHBondContact O-N 2.85Å
70L98Very high97.6Very high59 Ų5963.7 Ų63.731%0.30937%0.366SS..THydrogen-bonded Turntrans-79-0.4173.9-65.2175.8000113.6V21 V24 I66 V68 L72V21-L70 HydrophobicContact CG1-CD1 3.86Å; V21-L70 HydrophobicContact CG1-CD2 3.73Å; V21-L70 HydrophobicContact CG1-CG 4.46Å; V21-L70 HydrophobicContact CG2-CD2 4.2Å; V24-L70 HydrophobicContact CG1-CD1 4.02Å; I66-L70 HydrophobicContact CG2-CD1 3.8Å; I66-L70 HydrophobicContact CG2-CG 4.07Å; I66-L70 WeakPolarHBondContact O-CB 3.47Å; I66-L70 VanDerWaalsContact O-CG 3.3Å; I66-L70 WeakPolarHBondContact O-CG 3.3Å; I66-L70 PolarHBondContact O-N 2.63Å; V68-L70 VanDerWaalsContact C-N 3.26Å; V68-L70 PolarHBondContact O-N 2.98Å; L70-L72 HydrophobicContact CB-CD1 4.16Å; L70-L72 HydrophobicContact CB-CG 3.98Å; L70-L72 HydrophobicContact CD1-CD1 4.22Å; L70-L72 PolarHBondContact O-N 3.12Å
71K98.6Very high97.4Very high164 Ų16469.3 Ų69.371%0.71339%0.39SS*.THydrogen-bonded Turntrans60.827-178-50168.6-176.71710113.5C67 V68 S69 T87C67-K71 PolarHBondContact O-N 3.26Å; V68-K71 WeakPolarHBondContact O-CA 3.48Å; V68-K71 PolarHBondContact O-N 3.46Å; S69-K71 PolarHBondContact O-N 2.85Å; K71-T87 WeakPolarHBondContact O-CG2 3.3Å
72L98.7Very high97.3Very high17 Ų1766.7 Ų66.79%0.08938%0.383CS..SBendtrans-82.5-34.1170.4-57.3176.1000110.6L25 F34 C67 L70 T87 L89 S90 L94L25-L72 HydrophobicContact CD1-CD1 3.92Å; F34-L72 HydrophobicContact CE1-CB 4.37Å; C67-L72 HydrophobicContact CB-CB 4.24Å; C67-L72 WeakPolarHBondContact O-CA 3.49Å; C67-L72 WeakPolarHBondContact O-CB 3.29Å; C67-L72 PolarHBondContact O-N 3.15Å; L70-L72 HydrophobicContact CB-CD1 4.16Å; L70-L72 HydrophobicContact CB-CG 3.98Å; L70-L72 HydrophobicContact CD1-CD1 4.22Å; L70-L72 PolarHBondContact O-N 3.12Å; L72-T87 WeakPolarHBondContact O-CB 3.38Å; L72-T87 VanDerWaalsContact O-CG2 3.32Å; L72-T87 WeakPolarHBondContact O-CG2 3.48Å; L72-T87 PolarHBondContact O-OG1 3.43Å; L72-L89 HydrophobicContact CD2-CD2 3.68Å; L72-S90 VanDerWaalsContact O-CB 3.24Å; L72-S90 WeakPolarHBondContact O-CB 3.45Å; L72-S90 PolarHBondContact O-OG 3.45Å; L72-L94 HydrophobicContact CD2-CD1 4.17Å
73L98.9Very high97.3Very high5 Ų564.5 Ų64.53%0.02637%0.37CS..EExtended strand (participates in β ladder)trans-121.7158.5176.9-63.5179.3000111.6V33 F34 L37 L64 C67 V68 R85V33-L73 HydrophobicContact CG1-CD1 4.41Å; F34-L73 HydrophobicContact CD1-CD2 3.91Å; F34-L73 HydrophobicContact CE1-CD2 3.91Å; F34-L73 HydrophobicContact CE1-CG 4.27Å; L37-L73 HydrophobicContact CD1-CD1 4.07Å; L37-L73 HydrophobicContact CD1-CD2 3.54Å; L37-L73 HydrophobicContact CD1-CG 4.47Å; L64-L73 HydrophobicContact CD2-CD1 3.5Å; L64-L73 VanDerWaalsContact CD2-CD1 3.5Å; C67-L73 HydrophobicContact CB-CB 4.37Å; C67-L73 HydrophobicContact CB-CD1 3.76Å; C67-L73 HydrophobicContact CB-CG 3.91Å; C67-L73 PolarHBondContact O-N 3.28Å; V68-L73 HydrophobicContact CG2-CB 3.95Å; L73-R85 WeakPolarHBondContact CA-O 3.19Å
74K98.5Very high97.3Very high92 Ų9263.7 Ų63.740%0.437%0.366SS..EExtended strand (participates in β ladder)trans-107145.9165.7-59.7-179.5-179.9169.90108.9Y84 R85 T87K74-Y84 CarbonylContact O-C 3.57Å; K74-Y84 WeakPolarHBondContact O-CA 3.46Å; K74-R85 HydrophobicContact CB-CG 3.82Å; K74-R85 PolarHBondContact N-O 3.26Å; K74-R85 PolarHBondContact O-N 3.27Å; K74-T87 HydrophobicContact CD-CG2 4.41Å; K74-T87 HydrophobicContact CG-CG2 3.64Å
75V98.3Very high97.3Very high62 Ų6268.1 Ų68.138%0.37638%0.382SS..EExtended strand (participates in β ladder)trans-120.114617469.10000110.5V68 A82 F83 Y84V68-V75 HydrophobicContact CG1-CB 4.34Å; V68-V75 HydrophobicContact CG1-CG1 3.79Å; V68-V75 HydrophobicContact CG2-CB 3.94Å; V68-V75 HydrophobicContact CG2-CG1 4.28Å; V75-A82 HydrophobicContact CG2-CB 3.8Å; V75-F83 CarbonylContact C-O 3.58Å; V75-F83 WeakPolarHBondContact CA-O 3.31Å; V75-Y84 HydrophobicContact CB-CD1 4.2Å; V75-Y84 HydrophobicContact CB-CE1 4.29Å; V75-Y84 HydrophobicContact CG2-CD1 4.09Å; V75-Y84 HydrophobicContact CG2-CE1 3.93Å
76E96.8Very high97.3Very high53 Ų5366.1 Ų66.125%0.24837%0.372CS..EExtended strand (participates in β ladder)trans-137.1148.5169.660.1-174.1-147.900110.8P43 R78 F83 R85P43-E76 WeakPolarHBondContact CG-OE1 3.26Å; E76-R78 IonicContact OE1-CZ 2.6Å; E76-R78 IonicContact OE1-NE 2.73Å; E76-R78 PolarHBondContact OE1-NE 2.73Å; E76-R78 IonicContact OE1-NH2 2.62Å; E76-R78 PolarHBondContact OE1-NH2 3.48Å; E76-F83 HydrophobicContact CG-CB 4.03Å; E76-F83 PolarHBondContact N-O 2.78Å; E76-F83 PolarHBondContact O-N 3.07Å; E76-R85 IonicContact OE2-CZ 3.78Å; E76-R85 IonicContact OE2-NH1 2.8Å; E76-R85 PolarHBondContact OE2-NH1 2.89Å
77T96.3Very high97.3Very high111 Ų11163.5 Ų63.568%0.68136%0.359SS*.EExtended strand (participates in β ladder)trans-101.4121.6-179.6-50.20000110.2K81T77-K81 CarbonylContact C-O 3.53Å; T77-K81 VanDerWaalsContact CA-O 3.3Å; T77-K81 WeakPolarHBondContact CA-O 3.46Å
78R94.6Very high97.3Very high138 Ų13870.4 Ų70.452%0.52139%0.391SS..EExtended strand (participates in β ladder)trans-124.6121.1173.3-54.4176.5178.5-168.1-3.3109E76 G80 K81 F83E76-R78 IonicContact OE1-CZ 2.6Å; E76-R78 IonicContact OE1-NE 2.73Å; E76-R78 PolarHBondContact OE1-NE 2.73Å; E76-R78 IonicContact OE1-NH2 2.62Å; E76-R78 PolarHBondContact OE1-NH2 3.48Å; R78-G80 PolarHBondContact O-N 2.62Å; R78-K81 PolarHBondContact N-O 3.27Å; R78-K81 PolarHBondContact O-N 3.46Å; R78-F83 HydrophobicContact CB-CD2 3.8Å; R78-F83 HydrophobicContact CB-CE2 3.65Å; R78-F83 HydrophobicContact CG-CD2 3.97Å; R78-F83 HydrophobicContact CG-CE2 4.28Å
79G91.6Very high97.3Very high90 Ų9072.5 Ų72.593%0.92840%0.401SS*.THydrogen-bonded Turntrans56.734.3178.500000114.3K81G79-K81 VanDerWaalsContact C-N 3.32Å; G79-K81 PolarHBondContact O-N 3.22Å
80G92.8Very high97.3Very high73 Ų7367.8 Ų67.875%0.75337%0.368SS*.THydrogen-bonded Turntrans79.75.3-178.700000115.5R78R78-G80 PolarHBondContact O-N 2.62Å
81K94.4Very high97.4Very high122 Ų12267.5 Ų67.553%0.5337%0.371SS..EExtended strand (participates in β ladder)trans-110.2143.5174.6-66.4-176.8175.3-170.10111.6T77 R78 G79 F83T77-K81 CarbonylContact C-O 3.53Å; T77-K81 VanDerWaalsContact CA-O 3.3Å; T77-K81 WeakPolarHBondContact CA-O 3.46Å; R78-K81 PolarHBondContact N-O 3.27Å; R78-K81 PolarHBondContact O-N 3.46Å; G79-K81 VanDerWaalsContact C-N 3.32Å; G79-K81 PolarHBondContact O-N 3.22Å; K81-F83 HydrophobicContact CB-CD2 4.39Å; K81-F83 HydrophobicContact CB-CE2 3.72Å; K81-F83 HydrophobicContact CB-CZ 4.33Å; K81-F83 WeakPolarHBondContact O-CD2 3.25Å
82A97.7Very high97.3Very high33 Ų3363 Ų6327%0.27336%0.355SS..EExtended strand (participates in β ladder)trans-80.6133.6172.700000110.8D45 V75 Y84D45-A82 WeakPolarHBondContact CA-O 3.28Å; D45-A82 WeakPolarHBondContact CB-O 3.4Å; V75-A82 HydrophobicContact CG2-CB 3.8Å; A82-Y84 HydrophobicContact CB-CE2 3.96Å
83F98.6Very high97.3Very high41 Ų4166.7 Ų66.718%0.1837%0.368CS..EExtended strand (participates in β ladder)trans-125.3127.9175.8-70.2-93.1000109.4P43 L44 D45 V75 E76 R78 K81P43-F83 HydrophobicContact CB-CB 3.95Å; P43-F83 HydrophobicContact CG-CB 4.16Å; P43-F83 WeakPolarHBondContact O-CD1 3.46Å; L44-F83 CarbonylContact O-C 3.58Å; L44-F83 WeakPolarHBondContact O-CA 3.14Å; D45-F83 HydrophobicContact CB-CD1 4.09Å; D45-F83 HydrophobicContact CB-CE1 3.95Å; D45-F83 HydrophobicContact CB-CZ 4.37Å; V75-F83 CarbonylContact C-O 3.58Å; V75-F83 WeakPolarHBondContact CA-O 3.31Å; E76-F83 HydrophobicContact CG-CB 4.03Å; E76-F83 PolarHBondContact N-O 2.78Å; E76-F83 PolarHBondContact O-N 3.07Å; R78-F83 HydrophobicContact CB-CD2 3.8Å; R78-F83 HydrophobicContact CB-CE2 3.65Å; R78-F83 HydrophobicContact CG-CD2 3.97Å; R78-F83 HydrophobicContact CG-CE2 4.28Å; K81-F83 HydrophobicContact CB-CD2 4.39Å; K81-F83 HydrophobicContact CB-CE2 3.72Å; K81-F83 HydrophobicContact CB-CZ 4.33Å; K81-F83 WeakPolarHBondContact O-CD2 3.25Å
84Y98.8Very high97.3Very high3 Ų366.8 Ų66.81%0.01237%0.368CS..EExtended strand (participates in β ladder)trans-105.3147.3-172.4-55.6-96000110.7L37 P43 L44 V46 L64 D65 V68 K74 V75 A82L37-Y84 WeakPolarHBondContact CD2-O 3.49Å; P43-Y84 CarbonylContact C-O 3.45Å; P43-Y84 WeakPolarHBondContact CA-O 3.11Å; P43-Y84 VanDerWaalsContact CB-O 3.26Å; P43-Y84 WeakPolarHBondContact CB-O 3.27Å; L44-Y84 PolarHBondContact N-O 3.23Å; L44-Y84 WeakPolarHBondContact O-CD2 3.43Å; L44-Y84 PolarHBondContact O-N 3.38Å; V46-Y84 HydrophobicContact CG2-CE2 3.65Å; L64-Y84 HydrophobicContact CB-CD1 3.84Å; L64-Y84 HydrophobicContact CB-CE1 3.55Å; L64-Y84 HydrophobicContact CB-CE2 4.32Å; L64-Y84 HydrophobicContact CB-CG 4.33Å; L64-Y84 HydrophobicContact CD1-CD1 4.44Å; L64-Y84 HydrophobicContact CD1-CD2 3.75Å; L64-Y84 HydrophobicContact CD1-CE1 4.45Å; L64-Y84 HydrophobicContact CD1-CE2 3.79Å; L64-Y84 HydrophobicContact CD1-CG 4.1Å; L64-Y84 HydrophobicContact CD2-CG 4.48Å; D65-Y84 PolarHBondContact OD1-OH 3.34Å; V68-Y84 HydrophobicContact CG2-CD1 3.75Å; V68-Y84 HydrophobicContact CG2-CE1 3.89Å; K74-Y84 CarbonylContact O-C 3.57Å; K74-Y84 WeakPolarHBondContact O-CA 3.46Å; V75-Y84 HydrophobicContact CB-CD1 4.2Å; V75-Y84 HydrophobicContact CB-CE1 4.29Å; V75-Y84 HydrophobicContact CG2-CD1 4.09Å; V75-Y84 HydrophobicContact CG2-CE1 3.93Å; A82-Y84 HydrophobicContact CB-CE2 3.96Å
85R98.6Very high97.3Very high93 Ų9362.6 Ų62.635%0.35135%0.35SS..EExtended strand (participates in β ladder)trans-145.5160172.966.2176.4-179.6-85.47.8111.4P43 L73 K74 E76P43-R85 HydrophobicContact CB-CB 4.23Å; L73-R85 WeakPolarHBondContact CA-O 3.19Å; K74-R85 HydrophobicContact CB-CG 3.82Å; K74-R85 PolarHBondContact N-O 3.26Å; K74-R85 PolarHBondContact O-N 3.27Å; E76-R85 IonicContact OE2-CZ 3.78Å; E76-R85 IonicContact OE2-NH1 2.8Å; E76-R85 PolarHBondContact OE2-NH1 2.89Å
86N98.8Very high97.2Very high26 Ų2663.4 Ų63.414%0.13936%0.356CS..EExtended strand (participates in β ladder)trans-60148.6171.7-79.3-38.4000112.5F34 S90F34-N86 WeakPolarHBondContact CD1-OD1 3.29Å; F34-N86 PolarHBondContact O-ND2 3.09Å; N86-S90 VanDerWaalsContact CA-OG 3.22Å; N86-S90 WeakPolarHBondContact CA-OG 3.44Å; N86-S90 WeakPolarHBondContact CB-OG 3.49Å; N86-S90 VanDerWaalsContact CG-OG 3.27Å; N86-S90 PolarHBondContact OD1-OG 3.02Å
87T98.8Very high97.1Very high15 Ų1566.7 Ų66.79%0.09238%0.379CS..  trans-87.8176.9163.956.90000109.8K71 L72 K74 L89 S90 S91K71-T87 WeakPolarHBondContact O-CG2 3.3Å; L72-T87 WeakPolarHBondContact O-CB 3.38Å; L72-T87 VanDerWaalsContact O-CG2 3.32Å; L72-T87 WeakPolarHBondContact O-CG2 3.48Å; L72-T87 PolarHBondContact O-OG1 3.43Å; K74-T87 HydrophobicContact CD-CG2 4.41Å; K74-T87 HydrophobicContact CG-CG2 3.64Å; T87-L89 VanDerWaalsContact C-N 3.34Å; T87-S90 PolarHBondContact N-OG 3.38Å; T87-S90 PolarHBondContact O-N 3.11Å; T87-S90 PolarHBondContact O-OG 3.05Å; T87-S90 PolarHBondContact OG1-N 3.04Å; T87-S90 PolarHBondContact OG1-OG 3.31Å; T87-S91 WeakPolarHBondContact O-CB 3.48Å; T87-S91 PolarHBondContact O-N 3.26Å
88E98.4Very high97.2Very high147 Ų14762.2 Ų62.269%0.68735%0.353SS*.Hα-helixtrans-60.3-46.7168.4-72.5169.5-166.100110.1S90 S91 D92E88-S90 PolarHBondContact O-N 3.13Å; E88-S91 PolarHBondContact O-N 2.95Å; E88-D92 WeakPolarHBondContact O-CB 3.34Å; E88-D92 PolarHBondContact O-N 2.94Å
89L98.6Very high97.2Very high79 Ų7961.3 Ų61.341%0.41437%0.365SS..Hα-helixtrans-53.6-51.3175.6-176.3162.7000112.1L72 T87 Y93 L94L72-L89 HydrophobicContact CD2-CD2 3.68Å; T87-L89 VanDerWaalsContact C-N 3.34Å; L89-Y93 HydrophobicContact CG-CD2 4.26Å; L89-Y93 WeakPolarHBondContact O-CB 3.4Å; L89-Y93 WeakPolarHBondContact O-CD2 3.49Å; L89-Y93 PolarHBondContact O-N 3.34Å; L89-L94 HydrophobicContact CD2-CD1 3.91Å; L89-L94 HydrophobicContact CD2-CG 4.31Å
90S98.6Very high97.4Very high0 Ų059 Ų590%033%0.332CS..Hα-helixtrans-73.3-32.4-177.770.30000112.9L72 N86 T87 E88 L94 T95L72-S90 VanDerWaalsContact O-CB 3.24Å; L72-S90 WeakPolarHBondContact O-CB 3.45Å; L72-S90 PolarHBondContact O-OG 3.45Å; N86-S90 VanDerWaalsContact CA-OG 3.22Å; N86-S90 WeakPolarHBondContact CA-OG 3.44Å; N86-S90 WeakPolarHBondContact CB-OG 3.49Å; N86-S90 VanDerWaalsContact CG-OG 3.27Å; N86-S90 PolarHBondContact OD1-OG 3.02Å; T87-S90 PolarHBondContact N-OG 3.38Å; T87-S90 PolarHBondContact O-N 3.11Å; T87-S90 PolarHBondContact O-OG 3.05Å; T87-S90 PolarHBondContact OG1-N 3.04Å; T87-S90 PolarHBondContact OG1-OG 3.31Å; E88-S90 PolarHBondContact O-N 3.13Å; S90-L94 CarbonylContact O-C 3.58Å; S90-L94 VanDerWaalsContact O-CA 3.28Å; S90-L94 WeakPolarHBondContact O-CA 3.42Å; S90-L94 WeakPolarHBondContact O-CB 3.2Å; S90-L94 PolarHBondContact O-N 2.99Å; S90-T95 PolarHBondContact O-N 3.06Å
91S98.5Very high97.6Very high54 Ų5455.9 Ų55.938%0.37830%0.299SS..Hα-helixtrans-61.5-49.3172.4-173.60000111.2T87 E88 T95T87-S91 WeakPolarHBondContact O-CB 3.48Å; T87-S91 PolarHBondContact O-N 3.26Å; E88-S91 PolarHBondContact O-N 2.95Å; S91-T95 PolarHBondContact O-OG1 3.42Å
92D98Very high97.8Very high70 Ų7051.9 Ų51.937%0.37428%0.282SS..Hα-helixtrans-77.1-35.5-172-63.5-14.1000112.5E88 S98 T100E88-D92 WeakPolarHBondContact O-CB 3.34Å; E88-D92 PolarHBondContact O-N 2.94Å; D92-S98 VanDerWaalsContact O-CB 3.28Å; D92-S98 WeakPolarHBondContact O-CB 3.18Å; D92-S98 PolarHBondContact O-OG 3.13Å; D92-T100 CarbonylContact O-C 3.58Å; D92-T100 PolarHBondContact O-OG1 3.38Å
93Y98.4Very high97.7Very high94 Ų9450.4 Ų50.437%0.36927%0.27SS..Hα-helixtrans-117-17.3-171.6-55.5-66.1000114.8L89 T100 Q102 V166L89-Y93 HydrophobicContact CG-CD2 4.26Å; L89-Y93 WeakPolarHBondContact O-CB 3.4Å; L89-Y93 WeakPolarHBondContact O-CD2 3.49Å; L89-Y93 PolarHBondContact O-N 3.34Å; Y93-T100 WeakPolarHBondContact CD1-O 3.2Å; Y93-Q102 HydrophobicContact CD1-CG 4.38Å; Y93-Q102 PolarHBondContact O-N 3.07Å; Y93-V166 HydrophobicContact CD1-CG2 4.47Å; Y93-V166 HydrophobicContact CE1-CG2 4.05Å
94L98.6Very high97.5Very high6 Ų649.5 Ų49.53%0.03127%0.269CS..Hα-helixtrans-119.39.4-171.9-48.9178000113.6L25 F34 L72 L89 S90 C103 L106L25-L94 HydrophobicContact CD1-CD1 3.78Å; L25-L94 HydrophobicContact CD1-CD2 4.06Å; F34-L94 HydrophobicContact CB-CB 4.21Å; F34-L94 WeakPolarHBondContact CB-O 3.22Å; F34-L94 HydrophobicContact CD1-CB 4.32Å; F34-L94 HydrophobicContact CD1-CD1 4.41Å; F34-L94 HydrophobicContact CD2-CB 3.57Å; F34-L94 HydrophobicContact CD2-CD1 4.21Å; F34-L94 HydrophobicContact CD2-CG 4.47Å; F34-L94 HydrophobicContact CE1-CD1 3.97Å; F34-L94 HydrophobicContact CE2-CB 3.96Å; F34-L94 HydrophobicContact CE2-CD1 3.75Å; F34-L94 HydrophobicContact CE2-CG 4.39Å; F34-L94 HydrophobicContact CG-CB 3.77Å; F34-L94 HydrophobicContact CZ-CB 4.48Å; F34-L94 HydrophobicContact CZ-CD1 3.61Å; L72-L94 HydrophobicContact CD2-CD1 4.17Å; L89-L94 HydrophobicContact CD2-CD1 3.91Å; L89-L94 HydrophobicContact CD2-CG 4.31Å; S90-L94 CarbonylContact O-C 3.58Å; S90-L94 VanDerWaalsContact O-CA 3.28Å; S90-L94 WeakPolarHBondContact O-CA 3.42Å; S90-L94 WeakPolarHBondContact O-CB 3.2Å; S90-L94 PolarHBondContact O-N 2.99Å; L94-C103 PolarHBondContact O-SG 2.79Å; L94-L106 HydrophobicContact CD2-CD1 3.31Å
95T98.3Very high97.3Very high4 Ų451 Ų513%0.02528%0.276CS..SBendtrans-106.9136.4169.1680000110.3F34 D35 A38 S90 S91 V97 S98 S101F34-T95 HydrophobicContact CB-CG2 4.35Å; D35-T95 WeakPolarHBondContact OD1-CA 3.32Å; A38-T95 HydrophobicContact CB-CG2 3.84Å; S90-T95 PolarHBondContact O-N 3.06Å; S91-T95 PolarHBondContact O-OG1 3.42Å; T95-V97 PolarHBondContact O-N 3.16Å; T95-S98 WeakPolarHBondContact O-CB 3.5Å; T95-S98 PolarHBondContact O-N 3.18Å; T95-S98 VanDerWaalsContact O-N 3.11Å; T95-S101 VanDerWaalsContact O-CB 3.31Å; T95-S101 WeakPolarHBondContact O-CB 3.48Å; T95-S101 PolarHBondContact O-OG 3.01Å
96T96.3Very high97.2Very high80 Ų8047.6 Ų47.649%0.49127%0.265SS..THydrogen-bonded Turntrans-66.4-24.7-175.3-56.60000112.3D35 S98D35-T96 PolarHBondContact OD1-N 3.46Å; D35-T96 PolarHBondContact OD1-OG1 3.39Å; D35-T96 PolarHBondContact OD2-OG1 3.25Å; T96-S98 VanDerWaalsContact C-N 3.33Å
97V95.3Very high97.1Very high121 Ų12148.3 Ų48.373%0.73327%0.267SS*.THydrogen-bonded Turntrans-78.9-15.5177-63.50000113.5T95T95-V97 PolarHBondContact O-N 3.16Å
98S97.4Very high96.8Very high18 Ų1848.7 Ų48.713%0.12627%0.267CS..SBendtrans-71.1133.8-179-178.60000111.1D92 T95 T96 T100 S101D92-S98 VanDerWaalsContact O-CB 3.28Å; D92-S98 WeakPolarHBondContact O-CB 3.18Å; D92-S98 PolarHBondContact O-OG 3.13Å; T95-S98 WeakPolarHBondContact O-CB 3.5Å; T95-S98 PolarHBondContact O-N 3.18Å; T95-S98 VanDerWaalsContact O-N 3.11Å; T96-S98 VanDerWaalsContact C-N 3.33Å; S98-T100 PolarHBondContact O-N 3.37Å; S98-T100 VanDerWaalsContact O-N 3.15Å; S98-T100 PolarHBondContact OG-N 2.86Å; S98-T100 PolarHBondContact OG-OG1 3.48Å; S98-S101 VanDerWaalsContact O-CB 3.26Å; S98-S101 WeakPolarHBondContact O-CB 3.4Å; S98-S101 PolarHBondContact O-N 2.91Å
99P94.6Very high96.5Very high119 Ų11945.3 Ų45.377%0.77325%0.252SS*.THydrogen-bonded Turntrans-58.1-25.1172.4-2434.2000113.8S165P99-S165 WeakPolarHBondContact O-CB 3.24Å
100T96.1Very high96.3Very high40 Ų4042.3 Ų42.325%0.24524%0.24CC..THydrogen-bonded Turntrans-102.315.7178.950.30000113.7D92 Y93 S98 Q102 S165 V166D92-T100 CarbonylContact O-C 3.58Å; D92-T100 PolarHBondContact O-OG1 3.38Å; Y93-T100 WeakPolarHBondContact CD1-O 3.2Å; S98-T100 PolarHBondContact O-N 3.37Å; S98-T100 VanDerWaalsContact O-N 3.15Å; S98-T100 PolarHBondContact OG-N 2.86Å; S98-T100 PolarHBondContact OG-OG1 3.48Å; T100-Q102 PolarHBondContact O-N 2.8Å; T100-Q102 PolarHBondContact O-NE2 2.91Å; T100-Q102 VanDerWaalsContact O-NE2 3.15Å; T100-S165 WeakPolarHBondContact CA-OG 3.38Å; T100-V166 HydrophobicContact CG2-CG2 4.15Å
101S97.8Very high96.1Very high9 Ų947.3 Ų47.36%0.06326%0.259CS..  trans-48.9138.1177.51720000112.3T95 S98 C103 E162T95-S101 VanDerWaalsContact O-CB 3.31Å; T95-S101 WeakPolarHBondContact O-CB 3.48Å; T95-S101 PolarHBondContact O-OG 3.01Å; S98-S101 VanDerWaalsContact O-CB 3.26Å; S98-S101 WeakPolarHBondContact O-CB 3.4Å; S98-S101 PolarHBondContact O-N 2.91Å; S101-C103 PolarHBondContact OG-N 2.78Å; S101-E162 VanDerWaalsContact O-CB 3.25Å; S101-E162 WeakPolarHBondContact O-CB 3.38Å; S101-E162 VanDerWaalsContact O-CD 3.28Å; S101-E162 WeakPolarHBondContact O-CG 3.2Å; S101-E162 PolarHBondContact OG-OE1 2.74Å
102Q97Very high95.7Very high38 Ų3845.5 Ų45.518%0.17825%0.245CC..  trans-11914.2172.2-56.8-58.6-56.900111.5Y93 T100 S104 M105 L106 E162 S165Y93-Q102 HydrophobicContact CD1-CG 4.38Å; Y93-Q102 PolarHBondContact O-N 3.07Å; T100-Q102 PolarHBondContact O-N 2.8Å; T100-Q102 PolarHBondContact O-NE2 2.91Å; T100-Q102 VanDerWaalsContact O-NE2 3.15Å; Q102-S104 PolarHBondContact O-N 2.62Å; Q102-M105 PolarHBondContact O-N 3.07Å; Q102-L106 VanDerWaalsContact O-CG 3.29Å; Q102-L106 WeakPolarHBondContact O-CG 3.4Å; Q102-L106 PolarHBondContact O-N 3.4Å; Q102-E162 WeakPolarHBondContact CA-OE2 3.34Å; Q102-E162 PolarHBondContact NE2-O 2.9Å; Q102-S165 PolarHBondContact NE2-OG 3.5Å
103C96.3Very high95.2Very high2 Ų244.1 Ų44.11%0.01424%0.241CC..Hα-helixtrans-60.5-43.6-175.1-83.20000113.5L94 S101 M105 L106 K107 E162L94-C103 PolarHBondContact O-SG 2.79Å; S101-C103 PolarHBondContact OG-N 2.78Å; C103-M105 VanDerWaalsContact C-N 3.35Å; C103-L106 PolarHBondContact O-N 3.27Å; C103-K107 WeakPolarHBondContact O-CB 3.21Å; C103-K107 VanDerWaalsContact O-CG 3.27Å; C103-K107 WeakPolarHBondContact O-CG 3.45Å; C103-K107 PolarHBondContact O-N 3.32Å; C103-E162 PolarHBondContact N-OE2 3.42Å
104S95.3Very high94.9Very high21 Ų2143 Ų4315%0.14724%0.237CC..Hα-helixtrans-67.8-39.5-177.9-49.80000110.7Q102 K107 Y108 Q155 E162Q102-S104 PolarHBondContact O-N 2.62Å; S104-K107 PolarHBondContact O-N 2.96Å; S104-Y108 WeakPolarHBondContact O-CB 3.08Å; S104-Y108 PolarHBondContact O-N 2.88Å; S104-Q155 PolarHBondContact O-NE2 3.26Å; S104-E162 WeakPolarHBondContact CA-OE2 3.42Å; S104-E162 VanDerWaalsContact CB-CD 3.43Å; S104-E162 WeakPolarHBondContact CB-OE1 3.46Å; S104-E162 WeakPolarHBondContact CB-OE2 3.48Å; S104-E162 VanDerWaalsContact N-CD 3.33Å; S104-E162 PolarHBondContact N-OE1 3.11Å; S104-E162 PolarHBondContact N-OE2 3Å; S104-E162 PolarHBondContact OG-OE1 3.46Å
105M94.5Very high94.7Very high34 Ų3449.3 Ų49.317%0.16726%0.26CS..Hα-helixtrans-61.9-47.2174.4-177.760.284.700111.6Q102 C103 K107 Y108 M109 A159 L160 E162Q102-M105 PolarHBondContact O-N 3.07Å; C103-M105 VanDerWaalsContact C-N 3.35Å; M105-K107 PolarHBondContact O-N 2.93Å; M105-Y108 PolarHBondContact O-N 2.78Å; M105-M109 HydrophobicContact CG-CE 3.86Å; M105-M109 HydrophobicContact CG-SD 4.43Å; M105-M109 WeakPolarHBondContact O-CG 3.35Å; M105-M109 PolarHBondContact O-N 3.49Å; M105-M109 HydrophobicContact SD-CE 3.91Å; M105-M109 HydrophobicContact SD-CG 4.39Å; M105-A159 HydrophobicContact CB-CB 4.35Å; M105-A159 HydrophobicContact CE-CB 4.49Å; M105-A159 WeakPolarHBondContact CE-O 3.28Å; M105-A159 HydrophobicContact SD-CB 4.17Å; M105-L160 HydrophobicContact CE-CD1 4.07Å; M105-E162 PolarHBondContact N-OE2 3.3Å
106L96.8Very high94.3Very high23 Ų2350.3 Ų50.312%0.1227%0.267CS..Hα-helixtrans-64.5-40.7178.7-68.5171.1000112.3L25 F26 L94 Q102 C103 M109 G110L25-L106 HydrophobicContact CD1-CD1 4.13Å; L25-L106 HydrophobicContact CD2-CD1 4.07Å; L25-L106 HydrophobicContact CD2-CD2 3.72Å; L25-L106 HydrophobicContact CG-CD1 4.07Å; L25-L106 HydrophobicContact CG-CD2 4.26Å; F26-L106 HydrophobicContact CD1-CB 4.11Å; F26-L106 HydrophobicContact CD1-CD2 4.15Å; F26-L106 VanDerWaalsContact CD1-O 3.26Å; F26-L106 WeakPolarHBondContact CD1-O 3.37Å; F26-L106 HydrophobicContact CE1-CB 4.41Å; F26-L106 HydrophobicContact CE1-CD2 3.77Å; L94-L106 HydrophobicContact CD2-CD1 3.31Å; Q102-L106 VanDerWaalsContact O-CG 3.29Å; Q102-L106 WeakPolarHBondContact O-CG 3.4Å; Q102-L106 PolarHBondContact O-N 3.4Å; C103-L106 PolarHBondContact O-N 3.27Å; L106-M109 PolarHBondContact O-N 2.8Å; L106-G110 PolarHBondContact O-N 2.88Å
107K96.3Very high94.1Very high41 Ų4155 Ų5518%0.17828%0.275CS..Hα-helixtrans-62.4-43.5173.1-72.6171.1-1771730111.5C29 C103 S104 M105 G110 R111C29-K107 VanDerWaalsContact C-CE 3.47Å; C29-K107 HydrophobicContact CB-CG 4.24Å; C29-K107 WeakPolarHBondContact O-CE 3.31Å; C29-K107 PolarHBondContact O-NZ 3.41Å; C103-K107 WeakPolarHBondContact O-CB 3.21Å; C103-K107 VanDerWaalsContact O-CG 3.27Å; C103-K107 WeakPolarHBondContact O-CG 3.45Å; C103-K107 PolarHBondContact O-N 3.32Å; S104-K107 PolarHBondContact O-N 2.96Å; M105-K107 PolarHBondContact O-N 2.93Å; K107-G110 PolarHBondContact O-N 3.46Å; K107-R111 WeakPolarHBondContact O-CB 3.14Å; K107-R111 VanDerWaalsContact O-CG 3.28Å; K107-R111 WeakPolarHBondContact O-CG 3.34Å; K107-R111 PolarHBondContact O-N 2.75Å
108Y92.9Very high94.2Very high23 Ų2352.4 Ų52.49%0.0927%0.273CS..Hα-helixtrans-60.4-53.1175.9178.4-97.8000110.8S104 M105 G110 R111 T112 F156 A159S104-Y108 WeakPolarHBondContact O-CB 3.08Å; S104-Y108 PolarHBondContact O-N 2.88Å; M105-Y108 PolarHBondContact O-N 2.78Å; Y108-G110 VanDerWaalsContact C-N 3.29Å; Y108-G110 PolarHBondContact O-N 2.96Å; Y108-R111 PolarHBondContact O-N 2.95Å; Y108-R111 VanDerWaalsContact O-N 3.09Å; Y108-T112 HydrophobicContact CD2-CG2 4.05Å; Y108-T112 VanDerWaalsContact CE1-OG1 3.28Å; Y108-T112 WeakPolarHBondContact CE1-OG1 3.44Å; Y108-T112 HydrophobicContact CE2-CG2 3.7Å; Y108-T112 WeakPolarHBondContact CE2-OG1 3.45Å; Y108-T112 PolarHBondContact O-N 3.01Å; Y108-T112 PolarHBondContact O-OG1 3.25Å; Y108-F156 HydrophobicContact CD2-CD2 4.42Å; Y108-F156 HydrophobicContact CE1-CD2 4.18Å; Y108-F156 HydrophobicContact CE1-CE2 4.46Å; Y108-F156 HydrophobicContact CE2-CB 4.22Å; Y108-F156 AromaticContact CE2-CD2 3.62Å; Y108-F156 HydrophobicContact CE2-CD2 3.62Å; Y108-F156 HydrophobicContact CE2-CG 4.42Å; Y108-F156 AromaticContact CZ-CD2 3.47Å; Y108-F156 VanDerWaalsContact CZ-CD2 3.47Å; Y108-F156 AromaticContact CZ-CE2 3.96Å; Y108-F156 WeakPolarHBondContact OH-CD2 3.48Å; Y108-A159 HydrophobicContact CG-CB 4.14Å
109M91.9Very high94.1Very high76 Ų7654.5 Ų54.537%0.37428%0.281SS..Hα-helixtrans-53.1-44.3177.5-73.1-177.5175.500112.5F26 M105 L106 S113 Y114F26-M109 HydrophobicContact CE1-CB 4.02Å; F26-M109 HydrophobicContact CE2-CB 4.49Å; F26-M109 HydrophobicContact CZ-CB 3.84Å; M105-M109 HydrophobicContact CG-CE 3.86Å; M105-M109 HydrophobicContact CG-SD 4.43Å; M105-M109 WeakPolarHBondContact O-CG 3.35Å; M105-M109 PolarHBondContact O-N 3.49Å; M105-M109 HydrophobicContact SD-CE 3.91Å; M105-M109 HydrophobicContact SD-CG 4.39Å; L106-M109 PolarHBondContact O-N 2.8Å; M109-S113 PolarHBondContact O-N 2.92Å; M109-Y114 VanDerWaalsContact O-CB 3.31Å; M109-Y114 WeakPolarHBondContact O-CB 3.43Å; M109-Y114 PolarHBondContact O-N 3.41Å
110G93.5Very high94Very high15 Ų1552.6 Ų52.616%0.15526%0.264CS..Hα-helixtrans-66.4-39.2178.300000114F26 L106 K107 Y108F26-G110 VanDerWaalsContact CD2-CA 3.41Å; L106-G110 PolarHBondContact O-N 2.88Å; K107-G110 PolarHBondContact O-N 3.46Å; Y108-G110 VanDerWaalsContact C-N 3.29Å; Y108-G110 PolarHBondContact O-N 2.96Å
111R94.7Very high94.1Very high106 Ų10653.3 Ų53.340%0.427%0.274SS..Hα-helixtrans-82.2-31.7-176.3-69.6170.2177.8171.9-2.9113.5E30 K107 Y108 R115E30-R111 IonicContact OE1-CZ 3.21Å; E30-R111 VanDerWaalsContact OE1-CZ 3.3Å; E30-R111 IonicContact OE1-NE 3.15Å; E30-R111 PolarHBondContact OE1-NE 3.19Å; E30-R111 VanDerWaalsContact OE1-NE 3.08Å; E30-R111 IonicContact OE1-NH2 2.82Å; E30-R111 PolarHBondContact OE1-NH2 3.04Å; E30-R111 IonicContact OE2-CZ 3.8Å; E30-R111 IonicContact OE2-NE 2.71Å; E30-R111 PolarHBondContact OE2-NE 3.43Å; E30-R111 VanDerWaalsContact OE2-NE 3.15Å; E30-R111 IonicContact OE2-NH2 3.3Å; E30-R111 PolarHBondContact OE2-NH2 2.98Å; K107-R111 WeakPolarHBondContact O-CB 3.14Å; K107-R111 VanDerWaalsContact O-CG 3.28Å; K107-R111 WeakPolarHBondContact O-CG 3.34Å; K107-R111 PolarHBondContact O-N 2.75Å; Y108-R111 PolarHBondContact O-N 2.95Å; Y108-R111 VanDerWaalsContact O-N 3.09Å; R111-R115 WeakPolarHBondContact O-CD 3.46Å
112T89.4Confident94.1Very high16 Ų1655.6 Ų55.610%0.09829%0.285CS..THydrogen-bonded Turntrans-114.4-72.1-173.660.30000111.7Y108 Y114 R115 C116Y108-T112 HydrophobicContact CD2-CG2 4.05Å; Y108-T112 VanDerWaalsContact CE1-OG1 3.28Å; Y108-T112 WeakPolarHBondContact CE1-OG1 3.44Å; Y108-T112 HydrophobicContact CE2-CG2 3.7Å; Y108-T112 WeakPolarHBondContact CE2-OG1 3.45Å; Y108-T112 PolarHBondContact O-N 3.01Å; Y108-T112 PolarHBondContact O-OG1 3.25Å; T112-Y114 PolarHBondContact O-N 3.26Å; T112-R115 PolarHBondContact O-N 3.37Å; T112-R115 VanDerWaalsContact O-N 3.11Å; T112-C116 PolarHBondContact O-N 2.74Å
113S87.9Confident93.9Very high40 Ų4054.9 Ų54.928%0.2829%0.286SS..Hα-helixtrans-55-52.2-171.9-51.10000111M109 R115 C116 W117M109-S113 PolarHBondContact O-N 2.92Å; S113-R115 PolarHBondContact O-N 3.4Å; S113-R115 VanDerWaalsContact O-N 3.12Å; S113-C116 WeakPolarHBondContact O-CA 3.44Å; S113-C116 WeakPolarHBondContact O-CB 3.31Å; S113-C116 PolarHBondContact O-N 2.73Å; S113-W117 PolarHBondContact O-N 2.86Å
114Y92.6Very high93.7Very high72 Ų7260.1 Ų60.128%0.28232%0.318SS..Hα-helixtrans-54.5-37.4-177.4-172.3-81.7000112.7F19 Q23 F26 M109 T112 W117F19-Y114 HydrophobicContact CB-CE2 4.05Å; F19-Y114 WeakPolarHBondContact CD2-OH 3.3Å; Q23-Y114 HydrophobicContact CG-CD2 4.35Å; Q23-Y114 HydrophobicContact CG-CE1 4.09Å; Q23-Y114 HydrophobicContact CG-CE2 3.7Å; Q23-Y114 VanDerWaalsContact NE2-CG 3.27Å; F26-Y114 HydrophobicContact CE2-CD2 4.01Å; M109-Y114 VanDerWaalsContact O-CB 3.31Å; M109-Y114 WeakPolarHBondContact O-CB 3.43Å; M109-Y114 PolarHBondContact O-N 3.41Å; T112-Y114 PolarHBondContact O-N 3.26Å; Y114-W117 PolarHBondContact O-N 2.93Å
115R94.6Very high93.8Very high138 Ų13867.9 Ų67.952%0.52134%0.344SS..Hα-helixtrans-68.8-43.1176.3-65.2-175.961.9179.2-3.7111.7R111 T112 S113 W117 G118 T134 F135R111-R115 WeakPolarHBondContact O-CD 3.46Å; T112-R115 PolarHBondContact O-N 3.37Å; T112-R115 VanDerWaalsContact O-N 3.11Å; S113-R115 PolarHBondContact O-N 3.4Å; S113-R115 VanDerWaalsContact O-N 3.12Å; R115-W117 VanDerWaalsContact C-N 3.31Å; R115-W117 PolarHBondContact O-N 3.3Å; R115-G118 PolarHBondContact O-N 2.73Å; R115-G118 VanDerWaalsContact O-N 3.16Å; R115-T134 HydrophobicContact CB-CG2 3.59Å; R115-F135 HydrophobicContact CB-CE1 4.33Å; R115-F135 HydrophobicContact CB-CZ 4.16Å
116C89.4Confident93.9Very high25 Ų2570.9 Ų70.917%0.16936%0.358CS..Hα-helixtrans-62.1-37.7175-690000112.5T112 S113 G118 H119 F135T112-C116 PolarHBondContact O-N 2.74Å; S113-C116 WeakPolarHBondContact O-CA 3.44Å; S113-C116 WeakPolarHBondContact O-CB 3.31Å; S113-C116 PolarHBondContact O-N 2.73Å; C116-G118 PolarHBondContact O-N 2.85Å; C116-H119 PolarHBondContact O-N 2.84Å; C116-F135 WeakPolarHBondContact SG-CE2 3.46Å
117W92.8Very high93.5Very high177 Ų17773.2 Ų73.267%0.6739%0.387SS*.Hα-helixtrans-61.2-23.2176.9-8488000112.9S113 Y114 R115 H119 L120S113-W117 PolarHBondContact O-N 2.86Å; Y114-W117 PolarHBondContact O-N 2.93Å; R115-W117 VanDerWaalsContact C-N 3.31Å; R115-W117 PolarHBondContact O-N 3.3Å; W117-H119 PolarHBondContact O-N 3.48Å; W117-L120 HydrophobicContact CE3-CD2 3.81Å; W117-L120 HydrophobicContact CZ3-CD1 4.42Å; W117-L120 HydrophobicContact CZ3-CD2 3.71Å; W117-L120 VanDerWaalsContact O-CB 3.31Å; W117-L120 WeakPolarHBondContact O-CB 3.49Å; W117-L120 PolarHBondContact O-N 3.35Å; W117-L120 VanDerWaalsContact O-N 3.17Å
118G95.9Very high93Very high67 Ų6776.5 Ų76.569%0.69140%0.398SS*.THydrogen-bonded Turntrans-60.8-21.6170.400000114.2R115 C116R115-G118 PolarHBondContact O-N 2.73Å; R115-G118 VanDerWaalsContact O-N 3.16Å; C116-G118 PolarHBondContact O-N 2.85Å
119H95.4Very high92.7Very high62 Ų6278.6 Ų78.629%0.28741%0.411SS..THydrogen-bonded Turntrans-104.614.8178.6-62.8-82.9000113.3C116 W117 A121 D122 A123 Q130 T134C116-H119 PolarHBondContact O-N 2.84Å; W117-H119 PolarHBondContact O-N 3.48Å; H119-A121 VanDerWaalsContact C-N 3.27Å; H119-A121 PolarHBondContact O-N 3.35Å; H119-D122 PolarHBondContact O-N 3.37Å; H119-D122 VanDerWaalsContact O-N 3.09Å; H119-A123 PolarHBondContact O-N 3.41Å; H119-A123 VanDerWaalsContact O-N 3.07Å; H119-Q130 HydrophobicContact CB-CB 3.84Å; H119-Q130 HydrophobicContact CB-CG 3.82Å; H119-T134 PolarHBondContact CD2-OG1 2.83Å; H119-T134 VanDerWaalsContact CD2-OG1 3.26Å
120L93.7Very high92.6Very high80 Ų8075.3 Ų75.342%0.41940%0.395SS..Hα-helixtrans-55-38.9-175177.765.1000113.4W117 D122 A123 V124W117-L120 HydrophobicContact CE3-CD2 3.81Å; W117-L120 HydrophobicContact CZ3-CD1 4.42Å; W117-L120 HydrophobicContact CZ3-CD2 3.71Å; W117-L120 VanDerWaalsContact O-CB 3.31Å; W117-L120 WeakPolarHBondContact O-CB 3.49Å; W117-L120 PolarHBondContact O-N 3.35Å; W117-L120 VanDerWaalsContact O-N 3.17Å; L120-D122 VanDerWaalsContact C-N 3.29Å; L120-D122 PolarHBondContact O-N 3.29Å; L120-A123 WeakPolarHBondContact O-CB 3.43Å; L120-A123 PolarHBondContact O-N 2.94Å; L120-V124 HydrophobicContact CD1-CG2 4.23Å; L120-V124 HydrophobicContact CG-CG2 4.44Å; L120-V124 WeakPolarHBondContact O-CG2 3.48Å; L120-V124 PolarHBondContact O-N 3.23Å
121A98Very high92.4Very high54 Ų5476.2 Ų76.245%0.44639%0.394SS..Hα-helixtrans-61.9-37.5-179.400000112.5H119 R125H119-A121 VanDerWaalsContact C-N 3.27Å; H119-A121 PolarHBondContact O-N 3.35Å; A121-R125 VanDerWaalsContact O-CG 3.31Å; A121-R125 WeakPolarHBondContact O-CG 3.46Å; A121-R125 PolarHBondContact O-N 2.92Å
122D97Very high92.2Very high57 Ų5775.1 Ų75.131%0.30540%0.396SS..Hα-helixtrans-76.1-39.1177-62.1-32.6000110.9H119 L120 V124 R125 E126H119-D122 PolarHBondContact O-N 3.37Å; H119-D122 VanDerWaalsContact O-N 3.09Å; L120-D122 VanDerWaalsContact C-N 3.29Å; L120-D122 PolarHBondContact O-N 3.29Å; D122-V124 PolarHBondContact O-N 2.89Å; D122-R125 PolarHBondContact O-N 2.89Å; D122-R125 IonicContact OD1-CZ 2.88Å; D122-R125 IonicContact OD1-NH1 2.83Å; D122-R125 PolarHBondContact OD1-NH1 3.02Å; D122-E126 WeakPolarHBondContact O-CB 3.34Å; D122-E126 WeakPolarHBondContact O-CG 3.35Å; D122-E126 PolarHBondContact O-N 3.48Å
123A92.6Very high92.4Very high23 Ų2377.7 Ų77.719%0.1941%0.407CS..Hα-helixtrans-54.4-41.8172.300000112H119 L120 G127 Q130H119-A123 PolarHBondContact O-N 3.41Å; H119-A123 VanDerWaalsContact O-N 3.07Å; L120-A123 WeakPolarHBondContact O-CB 3.43Å; L120-A123 PolarHBondContact O-N 2.94Å; A123-G127 WeakPolarHBondContact O-CA 3.5Å; A123-G127 PolarHBondContact O-N 3.19Å; A123-Q130 HydrophobicContact CB-CG 3.65Å
124V92.8Very high92.6Very high113 Ų11376.5 Ų76.569%0.68540%0.397SS*.Hα-helixtrans-68.6-39.9176.5170.90000112L120 D122L120-V124 HydrophobicContact CD1-CG2 4.23Å; L120-V124 HydrophobicContact CG-CG2 4.44Å; L120-V124 WeakPolarHBondContact O-CG2 3.48Å; L120-V124 PolarHBondContact O-N 3.23Å; D122-V124 PolarHBondContact O-N 2.89Å
125R97.3Very high92.6Very high183 Ų18374.9 Ų74.969%0.69139%0.392SS*.Hα-helixtrans-66.8-39.6178.9-74.3172.1-171.8122.64.8112.3A121 D122A121-R125 VanDerWaalsContact O-CG 3.31Å; A121-R125 WeakPolarHBondContact O-CG 3.46Å; A121-R125 PolarHBondContact O-N 2.92Å; D122-R125 PolarHBondContact O-N 2.89Å; D122-R125 IonicContact OD1-CZ 2.88Å; D122-R125 IonicContact OD1-NH1 2.83Å; D122-R125 PolarHBondContact OD1-NH1 3.02Å
126E95.4Very high92.5Very high98 Ų9871 Ų7146%0.45840%0.395SS..Hα-helixtrans-99.4-16.9-169.5-60.8-178.2-152.600112.9D122 R128D122-E126 WeakPolarHBondContact O-CB 3.34Å; D122-E126 WeakPolarHBondContact O-CG 3.35Å; D122-E126 PolarHBondContact O-N 3.48Å; E126-R128 VanDerWaalsContact C-N 3.32Å; E126-R128 HydrophobicContact CB-CG 3.94Å; E126-R128 PolarHBondContact O-N 3.48Å; E126-R128 IonicContact OE2-CZ 3Å; E126-R128 IonicContact OE2-NE 2.74Å; E126-R128 PolarHBondContact OE2-NE 3.43Å; E126-R128 IonicContact OE2-NH2 2.65Å; E126-R128 PolarHBondContact OE2-NH2 3.03Å
127G88.7Confident92.5Very high72 Ų7271.5 Ų71.574%0.74240%0.397SS*.THydrogen-bonded Turntrans67.329.417900000113.6A123A123-G127 WeakPolarHBondContact O-CA 3.5Å; A123-G127 PolarHBondContact O-N 3.19Å
128R85.7Confident92.1Very high109 Ų10966.9 Ų66.941%0.41139%0.39SS..SBendtrans-139.4170.5-17866.6177.2-178.189.7-7112.4E126 Q130 E133E126-R128 VanDerWaalsContact C-N 3.32Å; E126-R128 HydrophobicContact CB-CG 3.94Å; E126-R128 PolarHBondContact O-N 3.48Å; E126-R128 IonicContact OE2-CZ 3Å; E126-R128 IonicContact OE2-NE 2.74Å; E126-R128 PolarHBondContact OE2-NE 3.43Å; E126-R128 IonicContact OE2-NH2 2.65Å; E126-R128 PolarHBondContact OE2-NH2 3.03Å; R128-Q130 PolarHBondContact O-OE1 3.24Å; R128-Q130 VanDerWaalsContact O-OE1 3.11Å; R128-E133 IonicContact CZ-OE1 3.08Å; R128-E133 VanDerWaalsContact CZ-OE1 3.22Å; R128-E133 IonicContact NH1-OE1 3.51Å; R128-E133 PolarHBondContact NH1-OE1 2.85Å; R128-E133 IonicContact NH1-OE2 2.69Å; R128-E133 PolarHBondContact NH1-OE2 3.28Å; R128-E133 IonicContact NH2-OE1 2.97Å; R128-E133 PolarHBondContact NH2-OE1 2.73Å
129N87.1Confident91.5Very high67 Ų6764.6 Ų64.636%0.35837%0.365SS..  trans-74.6157.7175.878.976.9000111.8Y131 A139N129-Y131 HydrophobicContact CB-CD2 4.47Å; N129-Y131 PolarHBondContact OD1-N 2.81Å; N129-A139 WeakPolarHBondContact OD1-CB 3.29Å
130Q90.6Very high90.7Very high8 Ų870.9 Ų70.94%0.03739%0.394CS..  trans-112.825.4-174.4-53.8-56.711600113.8H119 A123 R128 L132 E133 T134H119-Q130 HydrophobicContact CB-CB 3.84Å; H119-Q130 HydrophobicContact CB-CG 3.82Å; A123-Q130 HydrophobicContact CB-CG 3.65Å; R128-Q130 PolarHBondContact O-OE1 3.24Å; R128-Q130 VanDerWaalsContact O-OE1 3.11Å; Q130-L132 VanDerWaalsContact C-N 3.32Å; Q130-L132 PolarHBondContact O-N 3.07Å; Q130-E133 VanDerWaalsContact CA-OE2 3.26Å; Q130-E133 WeakPolarHBondContact CA-OE2 3.41Å; Q130-E133 PolarHBondContact O-N 3.49Å; Q130-T134 VanDerWaalsContact O-CB 3.29Å; Q130-T134 WeakPolarHBondContact O-CB 3.28Å; Q130-T134 PolarHBondContact O-N 3.47Å; Q130-T134 PolarHBondContact O-OG1 3.49Å
131Y87.9Confident89.8Confident34 Ų3473.5 Ų73.513%0.13340%0.404CS..Hα-helixtrans-62.8-39.5-178.2-93.3-90.1000112.3N129 T134 F135 V137 A139 L142 A145 I146N129-Y131 HydrophobicContact CB-CD2 4.47Å; N129-Y131 PolarHBondContact OD1-N 2.81Å; Y131-T134 PolarHBondContact O-N 2.97Å; Y131-F135 AromaticContact CD1-CD2 3.71Å; Y131-F135 HydrophobicContact CD1-CD2 3.71Å; Y131-F135 AromaticContact CD1-CE2 3.99Å; Y131-F135 HydrophobicContact CD1-CE2 3.99Å; Y131-F135 HydrophobicContact CE1-CD2 4.18Å; Y131-F135 HydrophobicContact CE1-CE2 4.05Å; Y131-F135 PolarHBondContact O-N 2.89Å; Y131-V137 CarbonylContact C-O 3.59Å; Y131-A139 HydrophobicContact CG-CB 4.43Å; Y131-L142 HydrophobicContact CD2-CD1 4.33Å; Y131-L142 HydrophobicContact CE2-CD1 4.14Å; Y131-A145 HydrophobicContact CD1-CB 4.14Å; Y131-A145 HydrophobicContact CG-CB 4.28Å; Y131-I146 HydrophobicContact CE1-CG1 4.37Å
132L91Very high88.7Confident83 Ų8374.9 Ų74.944%0.43540%0.404SS..Hα-helixtrans-64-44.8178.1-179.863000111.1Q130 G136 V137 P138Q130-L132 VanDerWaalsContact C-N 3.32Å; Q130-L132 PolarHBondContact O-N 3.07Å; L132-G136 WeakPolarHBondContact O-CA 3.35Å; L132-G136 PolarHBondContact O-N 3.44Å; L132-V137 VanDerWaalsContact CA-O 3.23Å; L132-V137 WeakPolarHBondContact CA-O 3.26Å; L132-V137 PolarHBondContact N-O 2.79Å; L132-P138 HydrophobicContact CD1-CG 4.44Å
133E93.5Very high87.8Confident70 Ų7077.4 Ų77.433%0.32741%0.412SS..Hα-helixtrans-69.8-35.3-179.5-65.971.7-161.200111.9R128 Q130R128-E133 IonicContact CZ-OE1 3.08Å; R128-E133 VanDerWaalsContact CZ-OE1 3.22Å; R128-E133 IonicContact NH1-OE1 3.51Å; R128-E133 PolarHBondContact NH1-OE1 2.85Å; R128-E133 IonicContact NH1-OE2 2.69Å; R128-E133 PolarHBondContact NH1-OE2 3.28Å; R128-E133 IonicContact NH2-OE1 2.97Å; R128-E133 PolarHBondContact NH2-OE1 2.73Å; Q130-E133 VanDerWaalsContact CA-OE2 3.26Å; Q130-E133 WeakPolarHBondContact CA-OE2 3.41Å; Q130-E133 PolarHBondContact O-N 3.49Å
134T93.5Very high87.2Confident14 Ų1480 Ų809%0.08643%0.425CS..Hα-helixtrans-81.7-39.3-175.7-51.20000112.6R115 H119 Q130 Y131R115-T134 HydrophobicContact CB-CG2 3.59Å; H119-T134 PolarHBondContact CD2-OG1 2.83Å; H119-T134 VanDerWaalsContact CD2-OG1 3.26Å; Q130-T134 VanDerWaalsContact O-CB 3.29Å; Q130-T134 WeakPolarHBondContact O-CB 3.28Å; Q130-T134 PolarHBondContact O-N 3.47Å; Q130-T134 PolarHBondContact O-OG1 3.49Å; Y131-T134 PolarHBondContact O-N 2.97Å
135F92.6Very high86.7Confident38 Ų3874.6 Ų74.617%0.16739%0.393CS..Hα-helixtrans-124.4-5.9-169.8-56.2-67000114.3R115 C116 Y131 V137R115-F135 HydrophobicContact CB-CE1 4.33Å; R115-F135 HydrophobicContact CB-CZ 4.16Å; C116-F135 WeakPolarHBondContact SG-CE2 3.46Å; Y131-F135 AromaticContact CD1-CD2 3.71Å; Y131-F135 HydrophobicContact CD1-CD2 3.71Å; Y131-F135 AromaticContact CD1-CE2 3.99Å; Y131-F135 HydrophobicContact CD1-CE2 3.99Å; Y131-F135 HydrophobicContact CE1-CD2 4.18Å; Y131-F135 HydrophobicContact CE1-CE2 4.05Å; Y131-F135 PolarHBondContact O-N 2.89Å; F135-V137 HydrophobicContact CB-CG2 4.11Å; F135-V137 PolarHBondContact O-N 2.84Å
136G91.9Very high85.9Confident56 Ų5666.9 Ų66.958%0.57737%0.365SS*.SBendtrans71.516.2-174.800000113.8L132L132-G136 WeakPolarHBondContact O-CA 3.35Å; L132-G136 PolarHBondContact O-N 3.44Å
137V88.3Confident85.6Confident36 Ų3663.9 Ų63.922%0.21835%0.35CS..  trans-107.3121.6-176.1-176.60000109.8Y131 L132 F135 A139 A145 R148Y131-V137 CarbonylContact C-O 3.59Å; L132-V137 VanDerWaalsContact CA-O 3.23Å; L132-V137 WeakPolarHBondContact CA-O 3.26Å; L132-V137 PolarHBondContact N-O 2.79Å; F135-V137 HydrophobicContact CB-CG2 4.11Å; F135-V137 PolarHBondContact O-N 2.84Å; V137-A139 PolarHBondContact O-N 3.33Å; V137-A145 HydrophobicContact CG1-CB 4.1Å; V137-R148 HydrophobicContact CG1-CB 4.42Å; V137-R148 HydrophobicContact CG2-CB 4.47Å
138P85.4Confident85.5Confident81 Ų8165.6 Ų65.653%0.52633%0.334SS..  trans-58137.5173.7-22.833.4000111.4L132L132-P138 HydrophobicContact CD1-CG 4.44Å
139A83.4Confident85.8Confident19 Ų1962.7 Ų62.716%0.15733%0.33CS..  trans-123.537.4-177.400000112.2N129 Y131 V137 E141 A145N129-A139 WeakPolarHBondContact OD1-CB 3.29Å; Y131-A139 HydrophobicContact CG-CB 4.43Å; V137-A139 PolarHBondContact O-N 3.33Å; A139-E141 VanDerWaalsContact C-N 3.26Å; A139-A145 HydrophobicContact CB-CB 3.68Å
140E77.4Confident86Confident193 Ų19366.8 Ų66.890%0.90235%0.347SS*.SBendtrans-61.6-39.5170.7-64.2179.1-168.300110.5
141E76Confident86.1Confident136 Ų13668.8 Ų68.864%0.63637%0.37SS*.SBendtrans-107.8108.9165.1-66.5-176.6-178.700108.8A139 F143 T144 A145A139-E141 VanDerWaalsContact C-N 3.26Å; E141-F143 VanDerWaalsContact C-N 3.34Å; E141-F143 PolarHBondContact O-N 3.23Å; E141-T144 HydrophobicContact CB-CG2 3.97Å; E141-T144 PolarHBondContact O-N 3.44Å; E141-T144 PolarHBondContact O-OG1 3.4Å; E141-T144 WeakPolarHBondContact OE2-CG2 3.19Å; E141-A145 PolarHBondContact O-N 3.42Å
142L75.3Confident86.2Confident83 Ų8369.6 Ų69.644%0.43538%0.375SS..Hα-helixtrans-56.2-44.3-170.6-179.961.6000113.3Y131 T144 A145 I146Y131-L142 HydrophobicContact CD2-CD1 4.33Å; Y131-L142 HydrophobicContact CE2-CD1 4.14Å; L142-T144 VanDerWaalsContact C-N 3.33Å; L142-T144 PolarHBondContact O-N 2.82Å; L142-A145 WeakPolarHBondContact O-CB 3.34Å; L142-A145 PolarHBondContact O-N 3.18Å; L142-I146 HydrophobicContact CD1-CD1 4.13Å; L142-I146 HydrophobicContact CD1-CG1 4.41Å; L142-I146 HydrophobicContact CD2-CD1 4.37Å; L142-I146 HydrophobicContact CG-CD1 3.79Å; L142-I146 HydrophobicContact CG-CG1 4.45Å; L142-I146 WeakPolarHBondContact O-CG1 3.4Å; L142-I146 PolarHBondContact O-N 3.25Å
143F76.8Confident86.3Confident109 Ų10967 Ų6748%0.47836%0.36SS..Hα-helixtrans-70.3-26.3-176.9-75.1-71000113.6E141 A145 I146 Y147E141-F143 VanDerWaalsContact C-N 3.34Å; E141-F143 PolarHBondContact O-N 3.23Å; F143-A145 VanDerWaalsContact C-N 3.33Å; F143-I146 HydrophobicContact CD1-CD1 4.18Å; F143-I146 HydrophobicContact CE1-CD1 4.44Å; F143-I146 PolarHBondContact O-N 3.02Å; F143-Y147 HydrophobicContact CB-CD2 4.06Å; F143-Y147 HydrophobicContact CB-CE2 3.86Å; F143-Y147 HydrophobicContact CD1-CD2 4.49Å; F143-Y147 HydrophobicContact CD1-CE1 4.48Å; F143-Y147 AromaticContact CD1-CE2 3.61Å; F143-Y147 HydrophobicContact CD1-CE2 3.61Å; F143-Y147 AromaticContact CD1-CZ 3.61Å; F143-Y147 WeakPolarHBondContact CD1-OH 3.27Å; F143-Y147 HydrophobicContact CG-CE2 4.1Å; F143-Y147 VanDerWaalsContact O-CB 3.25Å; F143-Y147 WeakPolarHBondContact O-CB 3.4Å; F143-Y147 WeakPolarHBondContact O-CD2 3.26Å; F143-Y147 VanDerWaalsContact O-CG 3.22Å; F143-Y147 PolarHBondContact O-N 3.48Å
144T81.3Confident86.4Confident77 Ų7765.3 Ų65.347%0.47235%0.353SS..Hα-helixtrans-70.6-34.3173.964.30000111.1E141 L142 Y147 R148E141-T144 HydrophobicContact CB-CG2 3.97Å; E141-T144 PolarHBondContact O-N 3.44Å; E141-T144 PolarHBondContact O-OG1 3.4Å; E141-T144 WeakPolarHBondContact OE2-CG2 3.19Å; L142-T144 VanDerWaalsContact C-N 3.33Å; L142-T144 PolarHBondContact O-N 2.82Å; T144-Y147 CarbonylContact O-C 3.48Å; T144-R148 PolarHBondContact O-N 3.08Å
145A81.4Confident86.3Confident0 Ų066 Ų660%036%0.355CS..Hα-helixtrans-70-37.7172.400000112.9Y131 V137 A139 E141 L142 F143Y131-A145 HydrophobicContact CD1-CB 4.14Å; Y131-A145 HydrophobicContact CG-CB 4.28Å; V137-A145 HydrophobicContact CG1-CB 4.1Å; A139-A145 HydrophobicContact CB-CB 3.68Å; E141-A145 PolarHBondContact O-N 3.42Å; L142-A145 WeakPolarHBondContact O-CB 3.34Å; L142-A145 PolarHBondContact O-N 3.18Å; F143-A145 VanDerWaalsContact C-N 3.33Å
146I80.4Confident86.3Confident21 Ų2165.2 Ų65.211%0.10835%0.352CS..Hα-helixtrans-67.7-43.7175.3-66.3170.7000110.6Y131 L142 F143 R148 F156Y131-I146 HydrophobicContact CE1-CG1 4.37Å; L142-I146 HydrophobicContact CD1-CD1 4.13Å; L142-I146 HydrophobicContact CD1-CG1 4.41Å; L142-I146 HydrophobicContact CD2-CD1 4.37Å; L142-I146 HydrophobicContact CG-CD1 3.79Å; L142-I146 HydrophobicContact CG-CG1 4.45Å; L142-I146 WeakPolarHBondContact O-CG1 3.4Å; L142-I146 PolarHBondContact O-N 3.25Å; F143-I146 HydrophobicContact CD1-CD1 4.18Å; F143-I146 HydrophobicContact CE1-CD1 4.44Å; F143-I146 PolarHBondContact O-N 3.02Å; I146-R148 VanDerWaalsContact C-N 3.3Å; I146-R148 PolarHBondContact O-N 3.25Å; I146-F156 HydrophobicContact CG2-CD1 4.44Å; I146-F156 HydrophobicContact CG2-CD2 3.54Å; I146-F156 HydrophobicContact CG2-CE1 4.43Å; I146-F156 HydrophobicContact CG2-CE2 3.6Å; I146-F156 HydrophobicContact CG2-CG 3.96Å; I146-F156 HydrophobicContact CG2-CZ 4.04Å
147Y88.7Confident86.4Confident36 Ų3662.9 Ų62.914%0.14133%0.325CS..THydrogen-bonded Turntrans-93.537.8-178.1-53.4-32.5000112.9F143 T144 S149 R153 F156 I211 V214F143-Y147 HydrophobicContact CB-CD2 4.06Å; F143-Y147 HydrophobicContact CB-CE2 3.86Å; F143-Y147 HydrophobicContact CD1-CD2 4.49Å; F143-Y147 HydrophobicContact CD1-CE1 4.48Å; F143-Y147 AromaticContact CD1-CE2 3.61Å; F143-Y147 HydrophobicContact CD1-CE2 3.61Å; F143-Y147 AromaticContact CD1-CZ 3.61Å; F143-Y147 WeakPolarHBondContact CD1-OH 3.27Å; F143-Y147 HydrophobicContact CG-CE2 4.1Å; F143-Y147 VanDerWaalsContact O-CB 3.25Å; F143-Y147 WeakPolarHBondContact O-CB 3.4Å; F143-Y147 WeakPolarHBondContact O-CD2 3.26Å; F143-Y147 VanDerWaalsContact O-CG 3.22Å; F143-Y147 PolarHBondContact O-N 3.48Å; T144-Y147 CarbonylContact O-C 3.48Å; Y147-S149 PolarHBondContact O-N 3.04Å; Y147-R153 HydrophobicContact CD1-CB 3.91Å; Y147-R153 HydrophobicContact CD1-CG 3.75Å; Y147-R153 HydrophobicContact CD2-CG 4.47Å; Y147-R153 HydrophobicContact CE1-CG 4.21Å; Y147-R153 HydrophobicContact CG-CB 4.15Å; Y147-R153 HydrophobicContact CG-CG 3.91Å; Y147-F156 HydrophobicContact CE1-CB 4.27Å; Y147-F156 AromaticContact CE1-CD1 3.44Å; Y147-F156 HydrophobicContact CE1-CD1 3.44Å; Y147-F156 VanDerWaalsContact CE1-CD1 3.44Å; Y147-F156 AromaticContact CE1-CE1 3.76Å; Y147-F156 HydrophobicContact CE1-CE1 3.76Å; Y147-F156 AromaticContact CE1-CG 3.91Å; Y147-F156 HydrophobicContact CE1-CG 3.91Å; Y147-F156 AromaticContact CZ-CE1 3.99Å; Y147-F156 VanDerWaalsContact OH-CE1 3.31Å; Y147-F156 WeakPolarHBondContact OH-CE1 3.25Å; Y147-I211 HydrophobicContact CD2-CD1 3.93Å; Y147-I211 HydrophobicContact CE2-CD1 3.69Å; Y147-V214 HydrophobicContact CE2-CG2 3.81Å
148R87.1Confident86.6Confident107 Ų10764.2 Ų64.240%0.40433%0.329SS..SBendtrans-61.2-11-174.569-175.2171.374.3-0.4114.8V137 T144 I146 E152V137-R148 HydrophobicContact CG1-CB 4.42Å; V137-R148 HydrophobicContact CG2-CB 4.47Å; T144-R148 PolarHBondContact O-N 3.08Å; I146-R148 VanDerWaalsContact C-N 3.3Å; I146-R148 PolarHBondContact O-N 3.25Å; R148-E152 WeakPolarHBondContact CG-OE2 3.29Å; R148-E152 IonicContact CZ-OE1 3.18Å; R148-E152 IonicContact CZ-OE2 2.73Å; R148-E152 IonicContact NE-OE1 3.24Å; R148-E152 IonicContact NE-OE2 3.33Å; R148-E152 PolarHBondContact NE-OE2 3.47Å; R148-E152 IonicContact NH1-OE1 3.81Å; R148-E152 PolarHBondContact NH1-OE1 2.86Å; R148-E152 IonicContact NH1-OE2 2.69Å; R148-E152 PolarHBondContact NH1-OE2 2.97Å; R148-E152 IonicContact NH2-OE1 3.05Å; R148-E152 PolarHBondContact NH2-OE1 3.49Å; R148-E152 IonicContact NH2-OE2 3.08Å
149S91.6Very high86.9Confident48 Ų4860.3 Ų60.334%0.33630%0.304SS..SBendtrans-150.9160.9167.966.30000111.3Y147 G151 E152 R153Y147-S149 PolarHBondContact O-N 3.04Å; S149-G151 VanDerWaalsContact C-N 3.3Å; S149-G151 PolarHBondContact O-N 3.16Å; S149-E152 PolarHBondContact O-N 3.47Å; S149-E152 WeakPolarHBondContact OG-CB 3.46Å; S149-E152 WeakPolarHBondContact OG-CG 3.35Å; S149-E152 PolarHBondContact OG-N 3.42Å; S149-E152 PolarHBondContact OG-OE2 3.39Å; S149-R153 PolarHBondContact O-N 2.95Å
150E91.3Very high87.1Confident153 Ų15362.6 Ų62.672%0.71531%0.313SS*.Hα-helixtrans-58.4-42.1176.1-65.3-171.8154.300112.2E152 R153 L154E150-E152 VanDerWaalsContact C-N 3.34Å; E150-E152 PolarHBondContact O-N 2.92Å; E150-R153 PolarHBondContact O-N 3.26Å; E150-L154 PolarHBondContact O-N 3.38Å
151G92.3Very high87.8Confident51 Ų5156 Ų5653%0.52628%0.283SS..Hα-helixtrans-64.7-36.4178.700000113S149 L154 Q155S149-G151 VanDerWaalsContact C-N 3.3Å; S149-G151 PolarHBondContact O-N 3.16Å; G151-L154 PolarHBondContact O-N 2.94Å; G151-Q155 WeakPolarHBondContact O-CB 3.36Å; G151-Q155 PolarHBondContact O-N 3.12Å
152E90.9Very high88.5Confident51 Ų5150.3 Ų50.324%0.23826%0.256CS..Hα-helixtrans-78.1-31.6177.7-76155.3176.300113R148 S149 E150 Q155 F156R148-E152 WeakPolarHBondContact CG-OE2 3.29Å; R148-E152 IonicContact CZ-OE1 3.18Å; R148-E152 IonicContact CZ-OE2 2.73Å; R148-E152 IonicContact NE-OE1 3.24Å; R148-E152 IonicContact NE-OE2 3.33Å; R148-E152 PolarHBondContact NE-OE2 3.47Å; R148-E152 IonicContact NH1-OE1 3.81Å; R148-E152 PolarHBondContact NH1-OE1 2.86Å; R148-E152 IonicContact NH1-OE2 2.69Å; R148-E152 PolarHBondContact NH1-OE2 2.97Å; R148-E152 IonicContact NH2-OE1 3.05Å; R148-E152 PolarHBondContact NH2-OE1 3.49Å; R148-E152 IonicContact NH2-OE2 3.08Å; S149-E152 PolarHBondContact O-N 3.47Å; S149-E152 WeakPolarHBondContact OG-CB 3.46Å; S149-E152 WeakPolarHBondContact OG-CG 3.35Å; S149-E152 PolarHBondContact OG-N 3.42Å; S149-E152 PolarHBondContact OG-OE2 3.39Å; E150-E152 VanDerWaalsContact C-N 3.34Å; E150-E152 PolarHBondContact O-N 2.92Å; E152-Q155 PolarHBondContact O-N 3.04Å; E152-F156 VanDerWaalsContact O-CB 3.29Å; E152-F156 WeakPolarHBondContact O-CB 3.17Å; E152-F156 PolarHBondContact O-N 3.22Å
153R93.3Very high88.9Confident29 Ų2948.7 Ų48.711%0.10925%0.25CC..Hα-helixtrans-59.9-48.7167.3-175.7178.267.3-156.9-0.2110.6Y147 S149 E150 Q155 F156 M157 E213 T217Y147-R153 HydrophobicContact CD1-CB 3.91Å; Y147-R153 HydrophobicContact CD1-CG 3.75Å; Y147-R153 HydrophobicContact CD2-CG 4.47Å; Y147-R153 HydrophobicContact CE1-CG 4.21Å; Y147-R153 HydrophobicContact CG-CB 4.15Å; Y147-R153 HydrophobicContact CG-CG 3.91Å; S149-R153 PolarHBondContact O-N 2.95Å; E150-R153 PolarHBondContact O-N 3.26Å; R153-Q155 PolarHBondContact O-N 3.46Å; R153-F156 PolarHBondContact O-N 3.23Å; R153-M157 HydrophobicContact CG-SD 4.16Å; R153-M157 VanDerWaalsContact O-CG 3.3Å; R153-M157 WeakPolarHBondContact O-CG 3.39Å; R153-M157 PolarHBondContact O-N 3.33Å; R153-E213 VanDerWaalsContact CZ-O 3.31Å; R153-E213 PolarHBondContact NE-O 3.15Å; R153-T217 PolarHBondContact NE-OG1 3.04Å; R153-T217 PolarHBondContact NH2-OG1 3.39Å
154L94.8Very high89.4Confident33 Ų3346.8 Ų46.817%0.17324%0.239CC..Hα-helixtrans-60.9-45.3176.5-179.961.2000111.6E150 G151 F156 M157 Q158 T217 H221 F222E150-L154 PolarHBondContact O-N 3.38Å; G151-L154 PolarHBondContact O-N 2.94Å; L154-F156 VanDerWaalsContact C-N 3.32Å; L154-F156 PolarHBondContact O-N 3.27Å; L154-M157 PolarHBondContact O-N 3.02Å; L154-Q158 HydrophobicContact CD1-CG 4.24Å; L154-Q158 HydrophobicContact CG-CG 4.44Å; L154-Q158 WeakPolarHBondContact O-CB 3.48Å; L154-Q158 VanDerWaalsContact O-CG 3.31Å; L154-Q158 WeakPolarHBondContact O-CG 3.35Å; L154-Q158 PolarHBondContact O-N 3.29Å; L154-T217 HydrophobicContact CB-CG2 4.42Å; L154-T217 HydrophobicContact CD1-CG2 3.98Å; L154-H221 HydrophobicContact CD1-CB 3.81Å; L154-F222 HydrophobicContact CD1-CE2 4.07Å; L154-F222 HydrophobicContact CD1-CZ 4.13Å
155Q92.8Very high89.8Confident29 Ų2945.5 Ų45.514%0.13623%0.233CC..Hα-helixtrans-61.1-40.1177.7-178.564.784.700112.3S104 G151 E152 R153 A159S104-Q155 PolarHBondContact O-NE2 3.26Å; G151-Q155 WeakPolarHBondContact O-CB 3.36Å; G151-Q155 PolarHBondContact O-N 3.12Å; E152-Q155 PolarHBondContact O-N 3.04Å; R153-Q155 PolarHBondContact O-N 3.46Å; Q155-A159 WeakPolarHBondContact O-CB 3.3Å; Q155-A159 PolarHBondContact O-N 3.4Å
156F91Very high90Very high22 Ų2248.4 Ų48.410%0.09625%0.251CS..Hα-helixtrans-64.2-47.3175.2179.9-93.2000111.3Y108 I146 Y147 E152 R153 L154 Q158 A159 L160Y108-F156 HydrophobicContact CD2-CD2 4.42Å; Y108-F156 HydrophobicContact CE1-CD2 4.18Å; Y108-F156 HydrophobicContact CE1-CE2 4.46Å; Y108-F156 HydrophobicContact CE2-CB 4.22Å; Y108-F156 AromaticContact CE2-CD2 3.62Å; Y108-F156 HydrophobicContact CE2-CD2 3.62Å; Y108-F156 HydrophobicContact CE2-CG 4.42Å; Y108-F156 AromaticContact CZ-CD2 3.47Å; Y108-F156 VanDerWaalsContact CZ-CD2 3.47Å; Y108-F156 AromaticContact CZ-CE2 3.96Å; Y108-F156 WeakPolarHBondContact OH-CD2 3.48Å; I146-F156 HydrophobicContact CG2-CD1 4.44Å; I146-F156 HydrophobicContact CG2-CD2 3.54Å; I146-F156 HydrophobicContact CG2-CE1 4.43Å; I146-F156 HydrophobicContact CG2-CE2 3.6Å; I146-F156 HydrophobicContact CG2-CG 3.96Å; I146-F156 HydrophobicContact CG2-CZ 4.04Å; Y147-F156 HydrophobicContact CE1-CB 4.27Å; Y147-F156 AromaticContact CE1-CD1 3.44Å; Y147-F156 HydrophobicContact CE1-CD1 3.44Å; Y147-F156 VanDerWaalsContact CE1-CD1 3.44Å; Y147-F156 AromaticContact CE1-CE1 3.76Å; Y147-F156 HydrophobicContact CE1-CE1 3.76Å; Y147-F156 AromaticContact CE1-CG 3.91Å; Y147-F156 HydrophobicContact CE1-CG 3.91Å; Y147-F156 AromaticContact CZ-CE1 3.99Å; Y147-F156 VanDerWaalsContact OH-CE1 3.31Å; Y147-F156 WeakPolarHBondContact OH-CE1 3.25Å; E152-F156 VanDerWaalsContact O-CB 3.29Å; E152-F156 WeakPolarHBondContact O-CB 3.17Å; E152-F156 PolarHBondContact O-N 3.22Å; R153-F156 PolarHBondContact O-N 3.23Å; L154-F156 VanDerWaalsContact C-N 3.32Å; L154-F156 PolarHBondContact O-N 3.27Å; F156-Q158 VanDerWaalsContact C-N 3.33Å; F156-Q158 PolarHBondContact O-N 2.77Å; F156-A159 WeakPolarHBondContact O-CB 3.47Å; F156-A159 PolarHBondContact O-N 3.44Å; F156-L160 HydrophobicContact CD1-CD1 4.47Å; F156-L160 HydrophobicContact CD1-CD2 3.92Å; F156-L160 HydrophobicContact CD2-CD1 4.07Å; F156-L160 HydrophobicContact CE1-CD1 4.37Å; F156-L160 HydrophobicContact CE1-CD2 3.24Å; F156-L160 HydrophobicContact CE1-CG 4.38Å; F156-L160 HydrophobicContact CE2-CD1 3.89Å; F156-L160 HydrophobicContact CE2-CD2 3.95Å; F156-L160 HydrophobicContact CG-CD1 4.39Å; F156-L160 HydrophobicContact CZ-CD1 4.08Å; F156-L160 HydrophobicContact CZ-CD2 3.25Å; F156-L160 HydrophobicContact CZ-CG 4.32Å; F156-L160 PolarHBondContact O-N 3.3Å
157M94.1Very high90.2Very high6 Ų651 Ų513%0.0327%0.265CS..Hα-helixtrans-60.9-42.5177.3-70.6173.868.400111.8R153 L154 Q161 A190 V214 T217 A218 F222R153-M157 HydrophobicContact CG-SD 4.16Å; R153-M157 VanDerWaalsContact O-CG 3.3Å; R153-M157 WeakPolarHBondContact O-CG 3.39Å; R153-M157 PolarHBondContact O-N 3.33Å; L154-M157 PolarHBondContact O-N 3.02Å; M157-Q161 WeakPolarHBondContact O-CG 3.4Å; M157-Q161 PolarHBondContact O-N 3.02Å; M157-A190 HydrophobicContact CE-CB 4.2Å; M157-V214 HydrophobicContact CE-CG1 3.84Å; M157-V214 WeakPolarHBondContact CE-O 3.5Å; M157-V214 HydrophobicContact SD-CG1 4.03Å; M157-T217 HydrophobicContact CE-CG2 4.12Å; M157-T217 HydrophobicContact SD-CG2 3.55Å; M157-T217 VanDerWaalsContact SD-CG2 3.55Å; M157-A218 HydrophobicContact CE-CB 3.88Å; M157-F222 HydrophobicContact CB-CE2 4.49Å; M157-F222 HydrophobicContact CB-CZ 4.28Å; M157-F222 HydrophobicContact CE-CE2 3.9Å
158Q94.2Very high90.1Very high64 Ų6449.3 Ų49.330%0.29926%0.259SS..Hα-helixtrans-63.6-38.9175.2-74.7174.1-32.500112.4L154 F156 Q161 E162 F222L154-Q158 HydrophobicContact CD1-CG 4.24Å; L154-Q158 HydrophobicContact CG-CG 4.44Å; L154-Q158 WeakPolarHBondContact O-CB 3.48Å; L154-Q158 VanDerWaalsContact O-CG 3.31Å; L154-Q158 WeakPolarHBondContact O-CG 3.35Å; L154-Q158 PolarHBondContact O-N 3.29Å; F156-Q158 VanDerWaalsContact C-N 3.33Å; F156-Q158 PolarHBondContact O-N 2.77Å; Q158-Q161 WeakPolarHBondContact O-CG 2.93Å; Q158-E162 WeakPolarHBondContact O-CG 3.49Å; Q158-F222 HydrophobicContact CG-CE1 4.38Å; Q158-F222 HydrophobicContact CG-CZ 4.08Å
159A90.3Very high90.2Very high0 Ų051.5 Ų51.50%027%0.267CS..Hα-helixtrans-64.8-51.2176.500000111.7M105 Y108 Q155 F156 Q161 E162M105-A159 HydrophobicContact CB-CB 4.35Å; M105-A159 HydrophobicContact CE-CB 4.49Å; M105-A159 WeakPolarHBondContact CE-O 3.28Å; M105-A159 HydrophobicContact SD-CB 4.17Å; Y108-A159 HydrophobicContact CG-CB 4.14Å; Q155-A159 WeakPolarHBondContact O-CB 3.3Å; Q155-A159 PolarHBondContact O-N 3.4Å; F156-A159 WeakPolarHBondContact O-CB 3.47Å; F156-A159 PolarHBondContact O-N 3.44Å; A159-Q161 VanDerWaalsContact C-N 3.34Å; A159-Q161 PolarHBondContact O-N 3.48Å; A159-E162 WeakPolarHBondContact O-CB 3.35Å; A159-E162 PolarHBondContact O-N 3.09Å
160L89.1Confident89.8Confident66 Ų6653.2 Ų53.235%0.34628%0.279SS..Hα-helixtrans-71.5-26.4-172.1-91.757.8000113.8M105 F156 E162 V163M105-L160 HydrophobicContact CE-CD1 4.07Å; F156-L160 HydrophobicContact CD1-CD1 4.47Å; F156-L160 HydrophobicContact CD1-CD2 3.92Å; F156-L160 HydrophobicContact CD2-CD1 4.07Å; F156-L160 HydrophobicContact CE1-CD1 4.37Å; F156-L160 HydrophobicContact CE1-CD2 3.24Å; F156-L160 HydrophobicContact CE1-CG 4.38Å; F156-L160 HydrophobicContact CE2-CD1 3.89Å; F156-L160 HydrophobicContact CE2-CD2 3.95Å; F156-L160 HydrophobicContact CG-CD1 4.39Å; F156-L160 HydrophobicContact CZ-CD1 4.08Å; F156-L160 HydrophobicContact CZ-CD2 3.25Å; F156-L160 HydrophobicContact CZ-CG 4.32Å; F156-L160 PolarHBondContact O-N 3.3Å; L160-E162 VanDerWaalsContact C-N 3.29Å; L160-E162 PolarHBondContact O-N 3.38Å; L160-V163 VanDerWaalsContact O-CG1 3.3Å; L160-V163 WeakPolarHBondContact O-CG1 3.3Å
161Q91.9Very high89.4Confident55 Ų5547.5 Ų47.526%0.25725%0.254SS..Hα-helixtrans-67.8-29.317460.2167.3-3.700113.3M157 Q158 A159 V163 W164 A190 A192M157-Q161 WeakPolarHBondContact O-CG 3.4Å; M157-Q161 PolarHBondContact O-N 3.02Å; Q158-Q161 WeakPolarHBondContact O-CG 2.93Å; A159-Q161 VanDerWaalsContact C-N 3.34Å; A159-Q161 PolarHBondContact O-N 3.48Å; Q161-V163 PolarHBondContact O-N 2.98Å; Q161-W164 PolarHBondContact O-N 3.16Å; Q161-W164 VanDerWaalsContact O-N 3.12Å; Q161-A190 HydrophobicContact CB-CB 4.47Å; Q161-A192 HydrophobicContact CB-CB 3.5Å
162E89.9Confident89.2Confident17 Ų1745.1 Ų45.18%0.07923%0.229CC..Hα-helixtrans-64.2-30.5-171.4-78.7178.1166.600111.8S101 Q102 C103 S104 M105 Q158 A159 L160 W164 S165S101-E162 VanDerWaalsContact O-CB 3.25Å; S101-E162 WeakPolarHBondContact O-CB 3.38Å; S101-E162 VanDerWaalsContact O-CD 3.28Å; S101-E162 WeakPolarHBondContact O-CG 3.2Å; S101-E162 PolarHBondContact OG-OE1 2.74Å; Q102-E162 WeakPolarHBondContact CA-OE2 3.34Å; Q102-E162 PolarHBondContact NE2-O 2.9Å; C103-E162 PolarHBondContact N-OE2 3.42Å; S104-E162 WeakPolarHBondContact CA-OE2 3.42Å; S104-E162 VanDerWaalsContact CB-CD 3.43Å; S104-E162 WeakPolarHBondContact CB-OE1 3.46Å; S104-E162 WeakPolarHBondContact CB-OE2 3.48Å; S104-E162 VanDerWaalsContact N-CD 3.33Å; S104-E162 PolarHBondContact N-OE1 3.11Å; S104-E162 PolarHBondContact N-OE2 3Å; S104-E162 PolarHBondContact OG-OE1 3.46Å; M105-E162 PolarHBondContact N-OE2 3.3Å; Q158-E162 WeakPolarHBondContact O-CG 3.49Å; A159-E162 WeakPolarHBondContact O-CB 3.35Å; A159-E162 PolarHBondContact O-N 3.09Å; L160-E162 VanDerWaalsContact C-N 3.29Å; L160-E162 PolarHBondContact O-N 3.38Å; E162-W164 PolarHBondContact O-N 3.44Å; E162-S165 WeakPolarHBondContact O-CB 3.48Å; E162-S165 PolarHBondContact O-N 3.11Å; E162-S165 PolarHBondContact O-OG 3.26Å
163V84.3Confident89.2Confident49 Ų4946 Ų4630%0.29724%0.239SC..THydrogen-bonded Turntrans-60.5-34.1177.576.60000112.1L160 Q161 S165 V166 N167L160-V163 VanDerWaalsContact O-CG1 3.3Å; L160-V163 WeakPolarHBondContact O-CG1 3.3Å; Q161-V163 PolarHBondContact O-N 2.98Å; V163-S165 VanDerWaalsContact C-N 3.29Å; V163-S165 PolarHBondContact O-N 3.47Å; V163-V166 PolarHBondContact O-N 2.83Å; V163-N167 WeakPolarHBondContact O-CB 3.41Å; V163-N167 PolarHBondContact O-N 3.03Å; V163-N167 PolarHBondContact O-OD1 3.29Å
164W87.7Confident88.8Confident68 Ų6847.8 Ų47.826%0.25826%0.259SS..Hα-helixtrans-74-21.6-176-55.3123.6000112.8Q161 E162 V166 G168 A192 L193Q161-W164 PolarHBondContact O-N 3.16Å; Q161-W164 VanDerWaalsContact O-N 3.12Å; E162-W164 PolarHBondContact O-N 3.44Å; W164-V166 PolarHBondContact O-N 2.93Å; W164-G168 VanDerWaalsContact O-CA 3.26Å; W164-G168 WeakPolarHBondContact O-CA 3.46Å; W164-G168 PolarHBondContact O-N 3.22Å; W164-A192 HydrophobicContact CB-CB 4.47Å; W164-L193 HydrophobicContact CD2-CB 4.14Å; W164-L193 HydrophobicContact CD2-CD1 3.94Å; W164-L193 HydrophobicContact CD2-CG 4.45Å; W164-L193 HydrophobicContact CE3-CD1 3.73Å; W164-L193 HydrophobicContact CG-CB 4.08Å; W164-L193 HydrophobicContact CG-CD1 4.32Å; W164-L193 HydrophobicContact CH2-CD2 4.4Å; W164-L193 HydrophobicContact CZ2-CD2 4.39Å; W164-L193 HydrophobicContact CZ3-CD1 4.23Å; W164-L193 HydrophobicContact CZ3-CD2 4.49Å
165S88.2Confident88.3Confident51 Ų5152.7 Ų52.736%0.35728%0.279SS..Hα-helixtrans-63.4-25.417469.40000113.4P99 T100 Q102 E162 V163P99-S165 WeakPolarHBondContact O-CB 3.24Å; T100-S165 WeakPolarHBondContact CA-OG 3.38Å; Q102-S165 PolarHBondContact NE2-OG 3.5Å; E162-S165 WeakPolarHBondContact O-CB 3.48Å; E162-S165 PolarHBondContact O-N 3.11Å; E162-S165 PolarHBondContact O-OG 3.26Å; V163-S165 VanDerWaalsContact C-N 3.29Å; V163-S165 PolarHBondContact O-N 3.47Å
166V86.9Confident88Confident61 Ų6156.1 Ų56.137%0.3730%0.299SS..Hα-helixtrans-106.2-39.8-179.6-178.60000111.2Y93 T100 V163 W164Y93-V166 HydrophobicContact CD1-CG2 4.47Å; Y93-V166 HydrophobicContact CE1-CG2 4.05Å; T100-V166 HydrophobicContact CG2-CG2 4.15Å; V163-V166 PolarHBondContact O-N 2.83Å; W164-V166 PolarHBondContact O-N 2.93Å
167N83.2Confident87.8Confident76 Ų7655.2 Ų55.241%0.40630%0.295SS..Hα-helixtrans-102.1-20-171.4-68.776.2000114.1V163 R169 S170 V171V163-N167 WeakPolarHBondContact O-CB 3.41Å; V163-N167 PolarHBondContact O-N 3.03Å; V163-N167 PolarHBondContact O-OD1 3.29Å; N167-R169 PolarHBondContact O-N 3Å; N167-S170 PolarHBondContact O-N 3.4Å; N167-V171 VanDerWaalsContact O-CG2 3.3Å; N167-V171 WeakPolarHBondContact O-CG2 3.3Å; N167-V171 PolarHBondContact O-N 3.02Å; N167-V171 VanDerWaalsContact O-N 3.12Å
168G86.4Confident87.6Confident0 Ų058.1 Ų58.10%032%0.316CS..Hα-helixtrans-55.7-47.9-169.300000113.1W164 S170 V171 L172W164-G168 VanDerWaalsContact O-CA 3.26Å; W164-G168 WeakPolarHBondContact O-CA 3.46Å; W164-G168 PolarHBondContact O-N 3.22Å; G168-S170 PolarHBondContact O-N 3.27Å; G168-V171 PolarHBondContact O-N 3.17Å; G168-L172 WeakPolarHBondContact O-CB 3.34Å; G168-L172 WeakPolarHBondContact O-CG 3.4Å; G168-L172 PolarHBondContact O-N 3.12Å
169R89.8Confident87.4Confident153 Ų15359.5 Ų59.558%0.57733%0.328SS*.Hα-helixtrans-59.2-48.6178.4-172.3179.8-172102.12.5113.1N167 V171 L172 T173 L200N167-R169 PolarHBondContact O-N 3Å; R169-V171 PolarHBondContact O-N 3.37Å; R169-L172 PolarHBondContact O-N 2.92Å; R169-T173 HydrophobicContact CG-CG2 4.29Å; R169-T173 WeakPolarHBondContact O-CB 3.37Å; R169-T173 WeakPolarHBondContact O-CG2 3.17Å; R169-T173 PolarHBondContact O-N 2.95Å; R169-T173 PolarHBondContact O-OG1 3.22Å; R169-L200 HydrophobicContact CG-CD1 4.28Å; R169-L200 HydrophobicContact CG-CD2 4.18Å
170S84Confident87.2Confident84 Ų8461 Ų6159%0.58734%0.335SS*.Hα-helixtrans-59.5-38.8-179.3-59.80000111.3N167 G168 A174N167-S170 PolarHBondContact O-N 3.4Å; G168-S170 PolarHBondContact O-N 3.27Å; S170-A174 PolarHBondContact O-N 2.93Å
171V83.3Confident87.1Confident33 Ų3361.7 Ų61.720%0.234%0.344CS..Hα-helixtrans-71.4-46.9-179.4170.60000111.6N167 G168 R169 T173 A174 Y281N167-V171 VanDerWaalsContact O-CG2 3.3Å; N167-V171 WeakPolarHBondContact O-CG2 3.3Å; N167-V171 PolarHBondContact O-N 3.02Å; N167-V171 VanDerWaalsContact O-N 3.12Å; G168-V171 PolarHBondContact O-N 3.17Å; R169-V171 PolarHBondContact O-N 3.37Å; V171-T173 VanDerWaalsContact C-N 3.33Å; V171-T173 PolarHBondContact O-N 2.88Å; V171-A174 WeakPolarHBondContact O-CB 3.24Å; V171-Y281 HydrophobicContact CB-CE1 4.3Å; V171-Y281 HydrophobicContact CG1-CD1 3.19Å; V171-Y281 HydrophobicContact CG1-CD2 4.15Å; V171-Y281 HydrophobicContact CG1-CE1 2.91Å; V171-Y281 HydrophobicContact CG1-CE2 3.9Å; V171-Y281 HydrophobicContact CG1-CG 3.8Å
172L87.9Confident87Confident0 Ų062.1 Ų62.10%035%0.347CS..Hα-helixtrans-75.8-18.4-177.6-70.3166.2000114.2G168 R169 L177 L193 E196 C197 L200 Y201 L257G168-L172 WeakPolarHBondContact O-CB 3.34Å; G168-L172 WeakPolarHBondContact O-CG 3.4Å; G168-L172 PolarHBondContact O-N 3.12Å; R169-L172 PolarHBondContact O-N 2.92Å; L172-L177 HydrophobicContact CD2-CD1 3.99Å; L172-L177 WeakPolarHBondContact O-CD1 3.42Å; L172-L193 HydrophobicContact CD1-CD1 3.66Å; L172-L193 HydrophobicContact CD1-CG 4.34Å; L172-L193 HydrophobicContact CD2-CD1 4.15Å; L172-L193 HydrophobicContact CD2-CG 4.31Å; L172-L193 HydrophobicContact CG-CD1 3.81Å; L172-L193 HydrophobicContact CG-CG 4.49Å; L172-E196 HydrophobicContact CD1-CB 3.89Å; L172-E196 HydrophobicContact CD1-CG 3.73Å; L172-C197 HydrophobicContact CD1-CB 3.91Å; L172-C197 HydrophobicContact CD2-CB 4Å; L172-L200 HydrophobicContact CB-CD1 3.73Å; L172-L200 HydrophobicContact CD1-CD1 3.97Å; L172-Y201 PolarHBondContact O-OH 3.36Å; L172-L257 HydrophobicContact CD2-CD1 3.99Å
173T89.7Confident86.9Confident71 Ų7161.3 Ų61.344%0.43634%0.343SS..THydrogen-bonded Turntrans-104.63.1178.560.80000113.4R169 V171 F175 L200R169-T173 HydrophobicContact CG-CG2 4.29Å; R169-T173 WeakPolarHBondContact O-CB 3.37Å; R169-T173 WeakPolarHBondContact O-CG2 3.17Å; R169-T173 PolarHBondContact O-N 2.95Å; R169-T173 PolarHBondContact O-OG1 3.22Å; V171-T173 VanDerWaalsContact C-N 3.33Å; V171-T173 PolarHBondContact O-N 2.88Å; T173-F175 PolarHBondContact O-N 3.48Å; T173-L200 HydrophobicContact CG2-CD1 4.01Å; T173-L200 HydrophobicContact CG2-CD2 4.22Å
174A85.9Confident87.2Confident66 Ų6659 Ų5955%0.54533%0.329SS..SBendtrans-61.2-29.4172.900000112.1S170 V171S170-A174 PolarHBondContact O-N 2.93Å; V171-A174 WeakPolarHBondContact O-CB 3.24Å
175F83.1Confident87.3Confident135 Ų13556.1 Ų56.159%0.59232%0.319SS*.SBendtrans-130.8155.4172.7-56.4-77.1000109.6T173 L177 Y201 V279T173-F175 PolarHBondContact O-N 3.48Å; F175-L177 HydrophobicContact CB-CD2 4.2Å; F175-L177 PolarHBondContact O-N 2.9Å; F175-L177 VanDerWaalsContact O-N 3.16Å; F175-Y201 PolarHBondContact O-OH 3.01Å; F175-V279 HydrophobicContact CD2-CG1 4.4Å; F175-V279 HydrophobicContact CD2-CG2 4.26Å; F175-V279 HydrophobicContact CE2-CG1 4.39Å
176D86.5Confident87.2Confident101 Ų10154.2 Ų54.254%0.5431%0.305SS..  trans-75.7101.8171.3-179.89.8000109.7S178D176-S178 VanDerWaalsContact C-N 3.33Å; D176-S178 WeakPolarHBondContact OD1-CB 3.43Å; D176-S178 PolarHBondContact OD1-N 3.02Å; D176-S178 PolarHBondContact OD1-OG 2.9Å; D176-S178 PolarHBondContact OD2-OG 3.27Å
177L88.3Confident87.1Confident3 Ų353.8 Ų53.82%0.01631%0.313CS..G310 helixtrans-86.5-4179.7-52.8-177.9000113.1L172 F175 V179 F180 M183 Y201 M255 V279L172-L177 HydrophobicContact CD2-CD1 3.99Å; L172-L177 WeakPolarHBondContact O-CD1 3.42Å; F175-L177 HydrophobicContact CB-CD2 4.2Å; F175-L177 PolarHBondContact O-N 2.9Å; F175-L177 VanDerWaalsContact O-N 3.16Å; L177-V179 PolarHBondContact O-N 3.43Å; L177-V179 VanDerWaalsContact O-N 3.1Å; L177-F180 HydrophobicContact CB-CD2 4.49Å; L177-F180 HydrophobicContact CD2-CD2 4.36Å; L177-F180 HydrophobicContact CD2-CE2 4.42Å; L177-F180 PolarHBondContact O-N 2.91Å; L177-M183 HydrophobicContact CB-CE 3.64Å; L177-M183 WeakPolarHBondContact O-CE 3.08Å; L177-Y201 HydrophobicContact CB-CD2 4.26Å; L177-Y201 HydrophobicContact CB-CE1 4.14Å; L177-Y201 HydrophobicContact CB-CE2 3.77Å; L177-Y201 HydrophobicContact CD1-CE2 4.01Å; L177-Y201 HydrophobicContact CG-CE2 4.12Å; L177-Y201 PolarHBondContact N-OH 3.32Å; L177-M255 HydrophobicContact CD2-CE 4.19Å; L177-V279 HydrophobicContact CD2-CG2 4.36Å
178S89.3Confident87.3Confident68 Ų6850.8 Ų50.848%0.47630%0.299SS..G310 helixtrans-63.4-19.9-17871.30000113.3D176 F180D176-S178 VanDerWaalsContact C-N 3.33Å; D176-S178 WeakPolarHBondContact OD1-CB 3.43Å; D176-S178 PolarHBondContact OD1-N 3.02Å; D176-S178 PolarHBondContact OD1-OG 2.9Å; D176-S178 PolarHBondContact OD2-OG 3.27Å; S178-F180 PolarHBondContact O-N 3.41Å
179V89.5Confident87.6Confident92 Ų9251.5 Ų51.556%0.55831%0.307SS*.G310 helixtrans-70-13.7175.1-56.20000113.4L177 P181L177-V179 PolarHBondContact O-N 3.43Å; L177-V179 VanDerWaalsContact O-N 3.1Å; V179-P181 WeakPolarHBondContact O-CD 3.46Å
180F86.9Confident87.8Confident33 Ų3344.5 Ų44.515%0.14528%0.282CS..  trans-107.797.5-179.5-52.9-66.1000110.6L177 S178 L182 M183 C204 M255 N277L177-F180 HydrophobicContact CB-CD2 4.49Å; L177-F180 HydrophobicContact CD2-CD2 4.36Å; L177-F180 HydrophobicContact CD2-CE2 4.42Å; L177-F180 PolarHBondContact O-N 2.91Å; S178-F180 PolarHBondContact O-N 3.41Å; F180-L182 PolarHBondContact O-N 3.21Å; F180-M183 HydrophobicContact CB-CE 4.15Å; F180-M183 HydrophobicContact CB-CG 4.39Å; F180-M183 VanDerWaalsContact O-CE 3.31Å; F180-M183 WeakPolarHBondContact O-CE 3.31Å; F180-C204 PolarHBondContact O-SG 3.08Å; F180-M255 HydrophobicContact CB-CB 3.9Å; F180-M255 HydrophobicContact CD1-CB 4.19Å; F180-M255 HydrophobicContact CD2-CB 3.99Å; F180-M255 HydrophobicContact CD2-CE 3.75Å; F180-M255 HydrophobicContact CD2-CG 4.23Å; F180-M255 HydrophobicContact CE1-CE 4.45Å; F180-M255 HydrophobicContact CE2-CE 3.26Å; F180-M255 HydrophobicContact CG-CB 3.74Å; F180-M255 HydrophobicContact CG-CG 4.47Å; F180-M255 HydrophobicContact CZ-CE 3.67Å; F180-N277 HydrophobicContact CE1-CB 3.75Å; F180-N277 VanDerWaalsContact CE1-ND2 3.31Å; F180-N277 WeakPolarHBondContact CE1-ND2 3.35Å; F180-N277 HydrophobicContact CZ-CB 3.86Å
181P86.9Confident88.2Confident80 Ų8040.5 Ų40.552%0.51925%0.254SS..SBendtrans-69.9-20.9-177.927.9-34.7000113.1V179 C204 K205V179-P181 WeakPolarHBondContact O-CD 3.46Å; P181-C204 WeakPolarHBondContact O-CA 3.42Å; P181-K205 PolarHBondContact O-N 3.21Å
182L88.6Confident88.6Confident63 Ų6339.9 Ų39.933%0.3325%0.252SS..EExtended strand (participates in β ladder)trans-127.2126.4179.4-61.8176.3000109.9F180 K205 W254 M255F180-L182 PolarHBondContact O-N 3.21Å; L182-K205 WeakPolarHBondContact CA-O 3.47Å; L182-K205 HydrophobicContact CD2-CB 4.07Å; L182-W254 HydrophobicContact CB-CD2 4.1Å; L182-W254 HydrophobicContact CB-CE3 3.84Å; L182-W254 HydrophobicContact CB-CH2 4.17Å; L182-W254 HydrophobicContact CB-CZ2 4.41Å; L182-W254 HydrophobicContact CB-CZ3 3.88Å; L182-W254 HydrophobicContact CD1-CH2 4.47Å; L182-W254 HydrophobicContact CD1-CZ2 4.18Å; L182-M255 PolarHBondContact O-N 2.93Å
183M89.4Confident88.8Confident0 Ų040 Ų400%025%0.253CS..EExtended strand (participates in β ladder)trans-128153.3-178-56.4-175-170.300111.1L177 F180 C197 C204 K205 I206 T207 W254 M255L177-M183 HydrophobicContact CB-CE 3.64Å; L177-M183 WeakPolarHBondContact O-CE 3.08Å; F180-M183 HydrophobicContact CB-CE 4.15Å; F180-M183 HydrophobicContact CB-CG 4.39Å; F180-M183 VanDerWaalsContact O-CE 3.31Å; F180-M183 WeakPolarHBondContact O-CE 3.31Å; M183-C197 PolarHBondContact SD-SG 3.48Å; M183-C204 HydrophobicContact CE-CB 4.03Å; M183-K205 PolarHBondContact N-O 3.23Å; M183-I206 HydrophobicContact CB-CB 4.22Å; M183-I206 HydrophobicContact CB-CD1 3.95Å; M183-I206 HydrophobicContact CB-CG1 3.9Å; M183-I206 CarbonylContact O-C 3.58Å; M183-I206 VanDerWaalsContact O-CA 3.27Å; M183-I206 WeakPolarHBondContact O-CA 3.4Å; M183-T207 PolarHBondContact O-N 2.97Å; M183-W254 VanDerWaalsContact O-CZ3 3.29Å; M183-W254 WeakPolarHBondContact O-CZ3 3.09Å; M183-M255 WeakPolarHBondContact CA-O 3.26Å; M183-M255 HydrophobicContact CG-CB 4.31Å
184C89.6Confident88.9Confident0 Ų036.7 Ų36.70%023%0.232CC..EExtended strand (participates in β ladder)trans-131.3125.3173.2-176.40000110.4T207 L249 W254 M255 F256 L257C184-T207 CarbonylContact C-O 3.57Å; C184-T207 VanDerWaalsContact CA-O 3.29Å; C184-T207 WeakPolarHBondContact CA-O 3.26Å; C184-T207 PolarHBondContact SG-O 3.28Å; C184-T207 VanDerWaalsContact SG-O 3.42Å; C184-L249 HydrophobicContact CB-CD2 4.38Å; C184-W254 HydrophobicContact CB-CE3 4.07Å; C184-W254 HydrophobicContact CB-CZ3 4.49Å; C184-M255 PolarHBondContact N-O 3.44Å; C184-F256 HydrophobicContact CB-CD1 3.79Å; C184-F256 HydrophobicContact CB-CE1 3.73Å; C184-F256 WeakPolarHBondContact O-CA 3.44Å; C184-L257 PolarHBondContact O-N 3.3Å
185D89.3Confident89.2Confident9 Ų936.3 Ų36.35%0.04822%0.218CC..EExtended strand (participates in β ladder)trans-95.196.9176.2-167.93.7000108.6G188 I206 T207 V208 F209D185-G188 VanDerWaalsContact CG-CA 3.42Å; D185-G188 PolarHBondContact O-N 2.83Å; D185-G188 WeakPolarHBondContact OD1-CA 3.42Å; D185-G188 WeakPolarHBondContact OD2-CA 3.38Å; D185-I206 HydrophobicContact CB-CD1 4.16Å; D185-I206 HydrophobicContact CB-CG1 4.37Å; D185-T207 PolarHBondContact N-O 3.25Å; D185-V208 HydrophobicContact CB-CG2 4.49Å; D185-F209 PolarHBondContact O-N 3.07Å
186L86.9Confident89.6Confident11 Ų1132.5 Ų32.56%0.05820%0.202CC..EExtended strand (participates in β ladder)trans-81.4119.5-177.1-65.1175.9000109.6G188 F209 F256 L257 F266L186-G188 VanDerWaalsContact C-N 3.28Å; L186-F209 HydrophobicContact CD2-CB 4.1Å; L186-F209 HydrophobicContact CD2-CD1 4.09Å; L186-F209 HydrophobicContact CD2-CG 4.27Å; L186-F256 HydrophobicContact CD1-CB 4.12Å; L186-F256 HydrophobicContact CD1-CD1 3.5Å; L186-F256 VanDerWaalsContact CD1-CD1 3.5Å; L186-F256 HydrophobicContact CD1-CE1 4.26Å; L186-F256 HydrophobicContact CD1-CG 4.05Å; L186-F256 HydrophobicContact CD2-CD1 4.14Å; L186-F256 HydrophobicContact CD2-CE1 4.37Å; L186-F256 HydrophobicContact CG-CD1 3.73Å; L186-F256 HydrophobicContact CG-CE1 4.44Å; L186-L257 PolarHBondContact N-O 2.7Å; L186-F266 HydrophobicContact CD1-CD2 4.02Å; L186-F266 HydrophobicContact CD1-CG 4.39Å
187G85.6Confident89.8Confident52 Ų5227.7 Ų27.754%0.53618%0.177SC..THydrogen-bonded Turntrans71.626.9-169.800000112.2G189 F209 D210G187-G189 PolarHBondContact O-N 3.32Å; G187-G189 VanDerWaalsContact O-N 3.09Å; G187-F209 WeakPolarHBondContact CA-O 3.43Å; G187-F209 PolarHBondContact N-O 3.43Å; G187-D210 VanDerWaalsContact C-OD2 3.23Å; G187-D210 WeakPolarHBondContact CA-OD2 3.26Å
188G86.9Confident89.9Confident12 Ų1227.8 Ų27.812%0.12418%0.177CC..  trans-68.9-4-174.100000114.9D185 L186 A190 G191D185-G188 VanDerWaalsContact CG-CA 3.42Å; D185-G188 PolarHBondContact O-N 2.83Å; D185-G188 WeakPolarHBondContact OD1-CA 3.42Å; D185-G188 WeakPolarHBondContact OD2-CA 3.38Å; L186-G188 VanDerWaalsContact C-N 3.28Å; G188-A190 PolarHBondContact O-N 3.44Å; G188-G191 PolarHBondContact O-N 3.24Å
189G92.2Very high89.9Confident15 Ų1527.7 Ų27.716%0.15518%0.177CC..THydrogen-bonded Turntrans59.3-118.5170.200000113.7G187 G191 D210G187-G189 PolarHBondContact O-N 3.32Å; G187-G189 VanDerWaalsContact O-N 3.09Å; G189-G191 PolarHBondContact O-N 2.81Å; G189-D210 VanDerWaalsContact CA-OD2 3.29Å; G189-D210 WeakPolarHBondContact CA-OD2 3.48Å; G189-D210 PolarHBondContact N-OD2 3.4Å
190A93.4Very high90Very high7 Ų725 Ų256%0.05816%0.158CC..THydrogen-bonded Turntrans-75.7-2.4177.500000113.9M157 Q161 G188 F222 F224M157-A190 HydrophobicContact CE-CB 4.2Å; Q161-A190 HydrophobicContact CB-CB 4.47Å; G188-A190 PolarHBondContact O-N 3.44Å; A190-F222 HydrophobicContact CB-CD1 4.06Å; A190-F222 HydrophobicContact CB-CD2 4.11Å; A190-F222 HydrophobicContact CB-CE1 3.94Å; A190-F222 HydrophobicContact CB-CE2 3.95Å; A190-F222 HydrophobicContact CB-CG 4.14Å; A190-F222 HydrophobicContact CB-CZ 3.86Å; A190-F224 VanDerWaalsContact O-CZ 3.3Å; A190-F224 WeakPolarHBondContact O-CZ 3.39Å
191G92.9Very high90.3Very high0 Ų024.7 Ų24.70%016%0.157CC..SBendtrans74.922.3178.400000114.7G188 G189 A194 K195G188-G191 PolarHBondContact O-N 3.24Å; G189-G191 PolarHBondContact O-N 2.81Å; G191-A194 WeakPolarHBondContact O-CB 3.47Å; G191-A194 PolarHBondContact O-N 3.28Å; G191-K195 WeakPolarHBondContact O-CG 3.4Å; G191-K195 PolarHBondContact O-N 2.83Å
192A92.4Very high90.4Very high19 Ų1925.2 Ų25.216%0.15716%0.16CC..Hα-helixtrans-68.1-40.5-178.700000113Q161 W164 A194 K195 E196Q161-A192 HydrophobicContact CB-CB 3.5Å; W164-A192 HydrophobicContact CB-CB 4.47Å; A192-A194 VanDerWaalsContact C-N 3.33Å; A192-K195 PolarHBondContact O-N 3.11Å; A192-E196 PolarHBondContact O-N 3.5Å
193L90.9Very high90.4Very high4 Ų425.7 Ų25.72%0.02118%0.181CC..Hα-helixtrans-65.6-39.3173.7-172.265.3000111.1W164 L172 K195 E196 C197 L257 Y281W164-L193 HydrophobicContact CD2-CB 4.14Å; W164-L193 HydrophobicContact CD2-CD1 3.94Å; W164-L193 HydrophobicContact CD2-CG 4.45Å; W164-L193 HydrophobicContact CE3-CD1 3.73Å; W164-L193 HydrophobicContact CG-CB 4.08Å; W164-L193 HydrophobicContact CG-CD1 4.32Å; W164-L193 HydrophobicContact CH2-CD2 4.4Å; W164-L193 HydrophobicContact CZ2-CD2 4.39Å; W164-L193 HydrophobicContact CZ3-CD1 4.23Å; W164-L193 HydrophobicContact CZ3-CD2 4.49Å; L172-L193 HydrophobicContact CD1-CD1 3.66Å; L172-L193 HydrophobicContact CD1-CG 4.34Å; L172-L193 HydrophobicContact CD2-CD1 4.15Å; L172-L193 HydrophobicContact CD2-CG 4.31Å; L172-L193 HydrophobicContact CG-CD1 3.81Å; L172-L193 HydrophobicContact CG-CG 4.49Å; L193-K195 PolarHBondContact O-N 3.22Å; L193-E196 PolarHBondContact O-N 3.47Å; L193-C197 WeakPolarHBondContact O-CB 3.26Å; L193-C197 PolarHBondContact O-N 3.05Å; L193-L257 HydrophobicContact CD2-CD1 4.21Å; L193-Y281 HydrophobicContact CD2-CD2 4.31Å; L193-Y281 HydrophobicContact CD2-CE2 3.81Å
194A92.6Very high90.4Very high0 Ų026 Ų260%018%0.182CC..Hα-helixtrans-59.9-41.6174.500000113.2G191 A192 C197 M198 I206 V208 I230G191-A194 WeakPolarHBondContact O-CB 3.47Å; G191-A194 PolarHBondContact O-N 3.28Å; A192-A194 VanDerWaalsContact C-N 3.33Å; A194-C197 WeakPolarHBondContact O-CB 3.29Å; A194-C197 PolarHBondContact O-N 3.2Å; A194-M198 WeakPolarHBondContact O-CG 3.21Å; A194-M198 PolarHBondContact O-N 3.07Å; A194-I206 HydrophobicContact CB-CD1 3.99Å; A194-I206 HydrophobicContact CB-CG1 4.24Å; A194-I206 HydrophobicContact CB-CG2 3.74Å; A194-V208 HydrophobicContact CB-CG2 3.58Å; A194-I230 HydrophobicContact CB-CG2 4.46Å
195K91.8Very high90.5Very high59 Ų5931.4 Ų31.426%0.25721%0.206SC..Hα-helixtrans-60.2-47.9173.3-75.1175175.9174.80112.4G191 A192 L193 C197 M198 S199 S223 F224 I230G191-K195 WeakPolarHBondContact O-CG 3.4Å; G191-K195 PolarHBondContact O-N 2.83Å; A192-K195 PolarHBondContact O-N 3.11Å; L193-K195 PolarHBondContact O-N 3.22Å; K195-C197 VanDerWaalsContact C-N 3.27Å; K195-C197 PolarHBondContact O-N 2.92Å; K195-M198 PolarHBondContact O-N 3.27Å; K195-S199 PolarHBondContact O-N 2.85Å; K195-S199 VanDerWaalsContact O-N 3.1Å; K195-S223 WeakPolarHBondContact CE-O 3.33Å; K195-S223 PolarHBondContact NZ-O 3.23Å; K195-F224 HydrophobicContact CD-CD1 4.38Å; K195-F224 HydrophobicContact CD-CE1 4.37Å; K195-F224 HydrophobicContact CG-CD1 4.31Å; K195-F224 HydrophobicContact CG-CE1 4.45Å; K195-I230 HydrophobicContact CB-CD1 4.4Å; K195-I230 HydrophobicContact CG-CD1 3.72Å
196E90.9Very high90.6Very high55 Ų5531 Ų3126%0.25720%0.204SC..Hα-helixtrans-63-36.8176.7-175.463-168.700111.4L172 A192 L193 M198 S199 L200L172-E196 HydrophobicContact CD1-CB 3.89Å; L172-E196 HydrophobicContact CD1-CG 3.73Å; A192-E196 PolarHBondContact O-N 3.5Å; L193-E196 PolarHBondContact O-N 3.47Å; E196-M198 PolarHBondContact O-N 3.35Å; E196-S199 PolarHBondContact O-N 3.49Å; E196-S199 PolarHBondContact O-OG 3.04Å; E196-L200 HydrophobicContact CG-CD1 4.07Å; E196-L200 WeakPolarHBondContact O-CG 3.28Å; E196-L200 PolarHBondContact O-N 2.88Å; E196-L200 VanDerWaalsContact O-N 3.11Å
197C91.1Very high90.9Very high0 Ų031.1 Ų31.10%021%0.205CC..Hα-helixtrans-62.2-43.8176-170.10000112.1L172 M183 L193 A194 K195 S199 L200 Y201 I206L172-C197 HydrophobicContact CD1-CB 3.91Å; L172-C197 HydrophobicContact CD2-CB 4Å; M183-C197 PolarHBondContact SD-SG 3.48Å; L193-C197 WeakPolarHBondContact O-CB 3.26Å; L193-C197 PolarHBondContact O-N 3.05Å; A194-C197 WeakPolarHBondContact O-CB 3.29Å; A194-C197 PolarHBondContact O-N 3.2Å; K195-C197 VanDerWaalsContact C-N 3.27Å; K195-C197 PolarHBondContact O-N 2.92Å; C197-S199 VanDerWaalsContact C-N 3.33Å; C197-S199 PolarHBondContact O-N 2.9Å; C197-L200 PolarHBondContact O-N 3.09Å; C197-Y201 PolarHBondContact O-N 3.24Å; C197-I206 HydrophobicContact CB-CD1 4.34Å
198M90.8Very high91.2Very high5 Ų528.6 Ų28.63%0.02518%0.179CC..Hα-helixtrans-68.9-31.5178.5-64.2-56.18900112.8A194 K195 E196 L200 Y201 C204 I206 Q229 I230A194-M198 WeakPolarHBondContact O-CG 3.21Å; A194-M198 PolarHBondContact O-N 3.07Å; K195-M198 PolarHBondContact O-N 3.27Å; E196-M198 PolarHBondContact O-N 3.35Å; M198-L200 VanDerWaalsContact C-N 3.32Å; M198-Y201 CarbonylContact O-C 3.32Å; M198-C204 HydrophobicContact CE-CB 3.96Å; M198-C204 VanDerWaalsContact SD-O 3.4Å; M198-I206 HydrophobicContact CE-CB 3.82Å; M198-I206 HydrophobicContact CE-CG2 3.72Å; M198-I206 HydrophobicContact CG-CG2 3.81Å; M198-I206 HydrophobicContact SD-CB 4.31Å; M198-I206 HydrophobicContact SD-CG2 3.77Å; M198-Q229 HydrophobicContact CG-CB 4.16Å; M198-Q229 HydrophobicContact SD-CB 3.87Å; M198-I230 HydrophobicContact CG-CD1 4.1Å; M198-I230 HydrophobicContact CG-CG1 3.67Å
199S89.6Confident91.3Very high66 Ų6628.4 Ų28.446%0.46218%0.175SC..Hα-helixtrans-67.1-34.6173.987.10000112.1K195 E196 C197K195-S199 PolarHBondContact O-N 2.85Å; K195-S199 VanDerWaalsContact O-N 3.1Å; E196-S199 PolarHBondContact O-N 3.49Å; E196-S199 PolarHBondContact O-OG 3.04Å; C197-S199 VanDerWaalsContact C-N 3.33Å; C197-S199 PolarHBondContact O-N 2.9Å
200L91.8Very high91.2Very high34 Ų3428.6 Ų28.618%0.17817%0.173CC..Hα-helixtrans-82.6-34178.8-69.1169.8000113.5R169 L172 T173 E196 C197 M198R169-L200 HydrophobicContact CG-CD1 4.28Å; R169-L200 HydrophobicContact CG-CD2 4.18Å; L172-L200 HydrophobicContact CB-CD1 3.73Å; L172-L200 HydrophobicContact CD1-CD1 3.97Å; T173-L200 HydrophobicContact CG2-CD1 4.01Å; T173-L200 HydrophobicContact CG2-CD2 4.22Å; E196-L200 HydrophobicContact CG-CD1 4.07Å; E196-L200 WeakPolarHBondContact O-CG 3.28Å; E196-L200 PolarHBondContact O-N 2.88Å; E196-L200 VanDerWaalsContact O-N 3.11Å; C197-L200 PolarHBondContact O-N 3.09Å; M198-L200 VanDerWaalsContact C-N 3.32Å
201Y92Very high91Very high27 Ų2730.1 Ų30.111%0.10618%0.179CC..  trans-127.974.3-175-56.9-76.5000111.7L172 F175 L177 C197 M198 G203 C204L172-Y201 PolarHBondContact O-OH 3.36Å; F175-Y201 PolarHBondContact O-OH 3.01Å; L177-Y201 HydrophobicContact CB-CD2 4.26Å; L177-Y201 HydrophobicContact CB-CE1 4.14Å; L177-Y201 HydrophobicContact CB-CE2 3.77Å; L177-Y201 HydrophobicContact CD1-CE2 4.01Å; L177-Y201 HydrophobicContact CG-CE2 4.12Å; L177-Y201 PolarHBondContact N-OH 3.32Å; C197-Y201 PolarHBondContact O-N 3.24Å; M198-Y201 CarbonylContact O-C 3.32Å; Y201-G203 PolarHBondContact O-N 3.41Å; Y201-C204 WeakPolarHBondContact O-CB 3.39Å; Y201-C204 PolarHBondContact O-N 2.89Å
202P89.4Confident90.9Very high91 Ų9132.1 Ų32.159%0.59119%0.192SC*.THydrogen-bonded Turntrans-64.8-14.3-173.2-23.234.2000115.3Q229P202-Q229 PolarHBondContact O-NE2 3.38Å
203G88.9Confident90.9Very high74 Ų7435.7 Ų35.776%0.76321%0.206SC*.THydrogen-bonded Turntrans-84.6-8.9176.500000114.3Y201Y201-G203 PolarHBondContact O-N 3.41Å
204C89.8Confident91Very high5 Ų535.6 Ų35.63%0.03421%0.205CC..  trans-94.9165.4-175.9-60.40000111.5F180 P181 M183 M198 Y201 Q229F180-C204 PolarHBondContact O-SG 3.08Å; P181-C204 WeakPolarHBondContact O-CA 3.42Å; M183-C204 HydrophobicContact CE-CB 4.03Å; M198-C204 HydrophobicContact CE-CB 3.96Å; M198-C204 VanDerWaalsContact SD-O 3.4Å; Y201-C204 WeakPolarHBondContact O-CB 3.39Å; Y201-C204 PolarHBondContact O-N 2.89Å; C204-Q229 PolarHBondContact O-NE2 3.21Å
205K91.3Very high91.1Very high114 Ų11435.6 Ų35.650%0.49621%0.205SC..EExtended strand (participates in β ladder)trans-126.5147.1165.7-61-170.9174.7-155.50109.6P181 L182 M183 Q229P181-K205 PolarHBondContact O-N 3.21Å; L182-K205 WeakPolarHBondContact CA-O 3.47Å; L182-K205 HydrophobicContact CD2-CB 4.07Å; M183-K205 PolarHBondContact N-O 3.23Å; K205-Q229 WeakPolarHBondContact CA-O 3.42Å
206I91.2Very high91.2Very high1 Ų140.2 Ų40.21%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-131.6136.8-179.2-167.7156.2000111.7M183 D185 A194 C197 M198 Q229 I230 D231 L257M183-I206 HydrophobicContact CB-CB 4.22Å; M183-I206 HydrophobicContact CB-CD1 3.95Å; M183-I206 HydrophobicContact CB-CG1 3.9Å; M183-I206 CarbonylContact O-C 3.58Å; M183-I206 VanDerWaalsContact O-CA 3.27Å; M183-I206 WeakPolarHBondContact O-CA 3.4Å; D185-I206 HydrophobicContact CB-CD1 4.16Å; D185-I206 HydrophobicContact CB-CG1 4.37Å; A194-I206 HydrophobicContact CB-CD1 3.99Å; A194-I206 HydrophobicContact CB-CG1 4.24Å; A194-I206 HydrophobicContact CB-CG2 3.74Å; C197-I206 HydrophobicContact CB-CD1 4.34Å; M198-I206 HydrophobicContact CE-CB 3.82Å; M198-I206 HydrophobicContact CE-CG2 3.72Å; M198-I206 HydrophobicContact CG-CG2 3.81Å; M198-I206 HydrophobicContact SD-CB 4.31Å; M198-I206 HydrophobicContact SD-CG2 3.77Å; I206-Q229 PolarHBondContact N-O 2.96Å; I206-I230 HydrophobicContact CG2-CB 4.42Å; I206-I230 HydrophobicContact CG2-CG1 3.92Å; I206-I230 HydrophobicContact CG2-CG2 4.36Å; I206-I230 WeakPolarHBondContact O-CA 3.42Å; I206-D231 PolarHBondContact O-N 3.19Å; I206-L257 HydrophobicContact CD1-CD1 4.38Å
207T92.6Very high91.4Very high13 Ų1337.7 Ų37.78%0.0821%0.209CC..EExtended strand (participates in β ladder)trans-107.3117.9171.2-59.20000109.3M183 C184 D185 D231 Q233 L249M183-T207 PolarHBondContact O-N 2.97Å; C184-T207 CarbonylContact C-O 3.57Å; C184-T207 VanDerWaalsContact CA-O 3.29Å; C184-T207 WeakPolarHBondContact CA-O 3.26Å; C184-T207 PolarHBondContact SG-O 3.28Å; C184-T207 VanDerWaalsContact SG-O 3.42Å; D185-T207 PolarHBondContact N-O 3.25Å; T207-D231 CarbonylContact C-O 3.56Å; T207-D231 WeakPolarHBondContact CA-O 3.18Å; T207-D231 HydrophobicContact CG2-CB 4.42Å; T207-Q233 HydrophobicContact CG2-CB 3.73Å; T207-L249 HydrophobicContact CG2-CD2 4.42Å
208V92.5Very high91.5Very high0 Ų037.7 Ų37.70%021%0.209CC..EExtended strand (participates in β ladder)trans-78.4120.7169.3-179.60000108.1D185 A194 I230 D231 F232 Q233D185-V208 HydrophobicContact CB-CG2 4.49Å; A194-V208 HydrophobicContact CB-CG2 3.58Å; V208-I230 HydrophobicContact CG2-CG2 4.1Å; V208-D231 PolarHBondContact N-O 3.37Å; V208-F232 HydrophobicContact CB-CD1 3.8Å; V208-F232 HydrophobicContact CB-CE1 3.63Å; V208-F232 HydrophobicContact CB-CG 4.37Å; V208-F232 HydrophobicContact CB-CZ 4.04Å; V208-F232 HydrophobicContact CG1-CD1 3.94Å; V208-F232 HydrophobicContact CG1-CE1 3.53Å; V208-F232 HydrophobicContact CG1-CZ 4.23Å; V208-F232 HydrophobicContact CG2-CE1 4.15Å; V208-F232 HydrophobicContact CG2-CZ 4.07Å; V208-F232 WeakPolarHBondContact O-CA 3.43Å; V208-Q233 PolarHBondContact O-N 3.29Å
209F89.9Confident91.6Very high8 Ų843.2 Ų43.24%0.03523%0.233CC..EExtended strand (participates in β ladder)trans-114.6123.4178.9-175.6-84.6000110.6D185 L186 G187 Q233 C245 L249D185-F209 PolarHBondContact O-N 3.07Å; L186-F209 HydrophobicContact CD2-CB 4.1Å; L186-F209 HydrophobicContact CD2-CD1 4.09Å; L186-F209 HydrophobicContact CD2-CG 4.27Å; G187-F209 WeakPolarHBondContact CA-O 3.43Å; G187-F209 PolarHBondContact N-O 3.43Å; F209-Q233 VanDerWaalsContact CA-O 3.29Å; F209-Q233 WeakPolarHBondContact CA-O 2.84Å; F209-Q233 HydrophobicContact CD2-CB 3.97Å; F209-Q233 HydrophobicContact CD2-CG 3.85Å; F209-Q233 WeakPolarHBondContact CD2-O 3.5Å; F209-Q233 HydrophobicContact CE2-CG 4.05Å; F209-C245 HydrophobicContact CZ-CB 4.48Å; F209-L249 HydrophobicContact CB-CD1 4.47Å; F209-L249 HydrophobicContact CD2-CD1 3.67Å; F209-L249 HydrophobicContact CE2-CD1 4.14Å; F209-L249 HydrophobicContact CG-CD1 4.13Å
210D89.4Confident91.7Very high19 Ų1945.5 Ų45.510%0.10224%0.237CC..EExtended strand (participates in β ladder)trans-153.1176.9179-143-60000111.1G187 G189 V214 V215 Q233 E234 G235G187-D210 VanDerWaalsContact C-OD2 3.23Å; G187-D210 WeakPolarHBondContact CA-OD2 3.26Å; G189-D210 VanDerWaalsContact CA-OD2 3.29Å; G189-D210 WeakPolarHBondContact CA-OD2 3.48Å; G189-D210 PolarHBondContact N-OD2 3.4Å; D210-V214 HydrophobicContact CB-CB 4.1Å; D210-V214 HydrophobicContact CB-CG1 3.87Å; D210-V214 VanDerWaalsContact CG-CG1 3.44Å; D210-V214 WeakPolarHBondContact OD1-CB 3.41Å; D210-V215 HydrophobicContact CB-CG2 3.93Å; D210-Q233 PolarHBondContact N-O 2.96Å; D210-E234 CarbonylContact O-C 3.56Å; D210-E234 VanDerWaalsContact O-CA 3.3Å; D210-E234 WeakPolarHBondContact O-CA 3.39Å; D210-G235 CarbonylContact C-O 3.53Å; D210-G235 PolarHBondContact O-N 2.91Å; D210-G235 VanDerWaalsContact O-O 3.13Å
211I89.7Confident91.7Very high38 Ų3848.7 Ų48.720%0.19525%0.251CS..  trans-64.3150.7175.464.1171.5000111.1Y147 E213 V214 V215 G235Y147-I211 HydrophobicContact CD2-CD1 3.93Å; Y147-I211 HydrophobicContact CE2-CD1 3.69Å; I211-E213 HydrophobicContact CD1-CB 4.25Å; I211-E213 HydrophobicContact CG1-CB 4.36Å; I211-E213 PolarHBondContact O-N 2.82Å; I211-E213 VanDerWaalsContact O-N 3.13Å; I211-V214 HydrophobicContact CD1-CG2 3.97Å; I211-V214 HydrophobicContact CG1-CB 3.93Å; I211-V214 HydrophobicContact CG1-CG2 3.53Å; I211-V214 PolarHBondContact O-N 2.71Å; I211-V215 PolarHBondContact O-N 2.88Å; I211-G235 WeakPolarHBondContact CA-O 3.43Å
212P91.3Very high91.5Very high42 Ų4248.5 Ų48.527%0.27325%0.25SS..Hα-helixtrans-51.5-41.6-174.7-27.434.7000114.3V214 V215 W216 E234P212-V214 VanDerWaalsContact C-N 3.3Å; P212-V214 PolarHBondContact O-N 3.08Å; P212-V215 PolarHBondContact O-N 2.88Å; P212-W216 WeakPolarHBondContact O-CB 3.23Å; P212-W216 PolarHBondContact O-N 2.6Å; P212-E234 HydrophobicContact CB-CB 4.23Å; P212-E234 HydrophobicContact CG-CB 4.17Å
213E91.8Very high91.2Very high95 Ų9548.6 Ų48.644%0.44425%0.253SS..Hα-helixtrans-56.6-40.7177.2-74.184.1-175.100113.5R153 I211 T217R153-E213 VanDerWaalsContact CZ-O 3.31Å; R153-E213 PolarHBondContact NE-O 3.15Å; I211-E213 HydrophobicContact CD1-CB 4.25Å; I211-E213 HydrophobicContact CG1-CB 4.36Å; I211-E213 PolarHBondContact O-N 2.82Å; I211-E213 VanDerWaalsContact O-N 3.13Å; E213-T217 WeakPolarHBondContact O-CB 3.22Å; E213-T217 PolarHBondContact O-N 2.69Å; E213-T217 PolarHBondContact O-OG1 2.8Å
214V92.9Very high90.6Very high1 Ų146.1 Ų46.11%0.00622%0.221CC..Hα-helixtrans-78.3-46.9-178.3171.90000109.7Y147 M157 D210 I211 P212 W216 T217 A218Y147-V214 HydrophobicContact CE2-CG2 3.81Å; M157-V214 HydrophobicContact CE-CG1 3.84Å; M157-V214 WeakPolarHBondContact CE-O 3.5Å; M157-V214 HydrophobicContact SD-CG1 4.03Å; D210-V214 HydrophobicContact CB-CB 4.1Å; D210-V214 HydrophobicContact CB-CG1 3.87Å; D210-V214 VanDerWaalsContact CG-CG1 3.44Å; D210-V214 WeakPolarHBondContact OD1-CB 3.41Å; I211-V214 HydrophobicContact CD1-CG2 3.97Å; I211-V214 HydrophobicContact CG1-CB 3.93Å; I211-V214 HydrophobicContact CG1-CG2 3.53Å; I211-V214 PolarHBondContact O-N 2.71Å; P212-V214 VanDerWaalsContact C-N 3.3Å; P212-V214 PolarHBondContact O-N 3.08Å; V214-W216 VanDerWaalsContact C-N 3.3Å; V214-W216 PolarHBondContact O-N 2.73Å; V214-T217 PolarHBondContact O-N 3.05Å; V214-T217 VanDerWaalsContact O-N 3.16Å; V214-A218 WeakPolarHBondContact O-CB 3.35Å; V214-A218 PolarHBondContact O-N 3.11Å
215V93.8Very high89.3Confident0 Ų054.6 Ų54.60%026%0.26CS..Hα-helixtrans-58.3-43.5176.11730000111.4D210 I211 P212 A218 K219 F232 E234D210-V215 HydrophobicContact CB-CG2 3.93Å; I211-V215 PolarHBondContact O-N 2.88Å; P212-V215 PolarHBondContact O-N 2.88Å; V215-A218 WeakPolarHBondContact O-CB 3.31Å; V215-A218 PolarHBondContact O-N 3.42Å; V215-K219 HydrophobicContact CG1-CD 4.29Å; V215-K219 WeakPolarHBondContact O-CG 2.97Å; V215-K219 PolarHBondContact O-N 2.92Å; V215-F232 HydrophobicContact CG1-CB 3.97Å; V215-F232 HydrophobicContact CG1-CD1 4.13Å; V215-F232 HydrophobicContact CG1-CG 4.44Å; V215-F232 HydrophobicContact CG2-CD1 4.43Å; V215-E234 HydrophobicContact CB-CB 4.1Å; V215-E234 HydrophobicContact CG1-CB 4.33Å; V215-E234 HydrophobicContact CG2-CB 3.99Å
216W93.9Very high88Confident157 Ų15752.4 Ų52.460%0.59525%0.252SS*.Hα-helixtrans-60-48.8175.5-179.2-91.1000111.7P212 V214 A218 K219 Q220P212-W216 WeakPolarHBondContact O-CB 3.23Å; P212-W216 PolarHBondContact O-N 2.6Å; V214-W216 VanDerWaalsContact C-N 3.3Å; V214-W216 PolarHBondContact O-N 2.73Å; W216-A218 VanDerWaalsContact C-N 3.3Å; W216-A218 PolarHBondContact O-N 2.99Å; W216-K219 PolarHBondContact O-N 2.88Å; W216-Q220 WeakPolarHBondContact O-CG 3.33Å; W216-Q220 PolarHBondContact O-N 3Å; W216-Q220 VanDerWaalsContact O-N 3.13Å
217T94.9Very high86.7Confident2 Ų259.7 Ų59.71%0.01229%0.286CS..Hα-helixtrans-62.9-39.2178.2-55.90000111.7R153 L154 M157 E213 V214 Q220 H221R153-T217 PolarHBondContact NE-OG1 3.04Å; R153-T217 PolarHBondContact NH2-OG1 3.39Å; L154-T217 HydrophobicContact CB-CG2 4.42Å; L154-T217 HydrophobicContact CD1-CG2 3.98Å; M157-T217 HydrophobicContact CE-CG2 4.12Å; M157-T217 HydrophobicContact SD-CG2 3.55Å; M157-T217 VanDerWaalsContact SD-CG2 3.55Å; E213-T217 WeakPolarHBondContact O-CB 3.22Å; E213-T217 PolarHBondContact O-N 2.69Å; E213-T217 PolarHBondContact O-OG1 2.8Å; V214-T217 PolarHBondContact O-N 3.05Å; V214-T217 VanDerWaalsContact O-N 3.16Å; T217-Q220 PolarHBondContact O-N 3.07Å; T217-H221 PolarHBondContact O-N 3.32Å; T217-H221 PolarHBondContact O-ND1 3.42Å
218A94.1Very high85.5Confident0 Ų067.4 Ų67.40%032%0.321CS..Hα-helixtrans-58.7-51.6178.600000110.4M157 V214 V215 W216 Q220 H221 F222 F232M157-A218 HydrophobicContact CE-CB 3.88Å; V214-A218 WeakPolarHBondContact O-CB 3.35Å; V214-A218 PolarHBondContact O-N 3.11Å; V215-A218 WeakPolarHBondContact O-CB 3.31Å; V215-A218 PolarHBondContact O-N 3.42Å; W216-A218 VanDerWaalsContact C-N 3.3Å; W216-A218 PolarHBondContact O-N 2.99Å; A218-Q220 VanDerWaalsContact C-N 3.27Å; A218-Q220 PolarHBondContact O-N 3.35Å; A218-H221 PolarHBondContact O-N 3.34Å; A218-F222 WeakPolarHBondContact O-CB 3.12Å; A218-F222 WeakPolarHBondContact O-CD2 3.4Å; A218-F222 PolarHBondContact O-N 3.18Å; A218-F232 HydrophobicContact CB-CD1 4.47Å; A218-F232 HydrophobicContact CB-CE1 3.8Å; A218-F232 HydrophobicContact CB-CZ 4.29Å
219K91.9Very high85Confident120 Ų12070 Ų7052%0.52233%0.333SS..Hα-helixtrans-63.6-29.3178.3-70.9178.5178.3175.30113.6V215 W216V215-K219 HydrophobicContact CG1-CD 4.29Å; V215-K219 WeakPolarHBondContact O-CG 2.97Å; V215-K219 PolarHBondContact O-N 2.92Å; W216-K219 PolarHBondContact O-N 2.88Å
220Q93.1Very high85Confident115 Ų11570 Ų7054%0.53733%0.334SS..Hα-helixtrans-80.9-36.5-179.8-75.7-169.5-33.100114W216 T217 A218W216-Q220 WeakPolarHBondContact O-CG 3.33Å; W216-Q220 PolarHBondContact O-N 3Å; W216-Q220 VanDerWaalsContact O-N 3.13Å; T217-Q220 PolarHBondContact O-N 3.07Å; A218-Q220 VanDerWaalsContact C-N 3.27Å; A218-Q220 PolarHBondContact O-N 3.35Å
221H91.9Very high85.1Confident101 Ų10173.6 Ų73.647%0.46835%0.353SS..Hα-helixtrans-112.1-14.3-167.2-62.784.6000114L154 T217 A218L154-H221 HydrophobicContact CD1-CB 3.81Å; T217-H221 PolarHBondContact O-N 3.32Å; T217-H221 PolarHBondContact O-ND1 3.42Å; A218-H221 PolarHBondContact O-N 3.34Å
222F88.4Confident85.2Confident23 Ų2372.6 Ų72.610%0.10135%0.347CS..  trans-123.3121.9-176.5-52.9-93.3000108.8L154 M157 Q158 A190 A218 F224L154-F222 HydrophobicContact CD1-CE2 4.07Å; L154-F222 HydrophobicContact CD1-CZ 4.13Å; M157-F222 HydrophobicContact CB-CE2 4.49Å; M157-F222 HydrophobicContact CB-CZ 4.28Å; M157-F222 HydrophobicContact CE-CE2 3.9Å; Q158-F222 HydrophobicContact CG-CE1 4.38Å; Q158-F222 HydrophobicContact CG-CZ 4.08Å; A190-F222 HydrophobicContact CB-CD1 4.06Å; A190-F222 HydrophobicContact CB-CD2 4.11Å; A190-F222 HydrophobicContact CB-CE1 3.94Å; A190-F222 HydrophobicContact CB-CE2 3.95Å; A190-F222 HydrophobicContact CB-CG 4.14Å; A190-F222 HydrophobicContact CB-CZ 3.86Å; A218-F222 WeakPolarHBondContact O-CB 3.12Å; A218-F222 WeakPolarHBondContact O-CD2 3.4Å; A218-F222 PolarHBondContact O-N 3.18Å; F222-F224 HydrophobicContact CB-CE2 4.05Å; F222-F224 HydrophobicContact CB-CZ 4.08Å; F222-F224 VanDerWaalsContact O-CD2 3.27Å; F222-F224 WeakPolarHBondContact O-CD2 3.31Å; F222-F224 WeakPolarHBondContact O-CE2 3.43Å
223S81.2Confident85.2Confident92 Ų9272.6 Ų72.664%0.64334%0.343SS*.  trans-82142.3176175.40000110.2K195K195-S223 WeakPolarHBondContact CE-O 3.33Å; K195-S223 PolarHBondContact NZ-O 3.23Å
224F76.3Confident85.2Confident22 Ų2273.1 Ų73.110%0.09635%0.346CS..  trans-119.5121.4174.3-59.6-92.3000106.8A190 K195 F222 E227 I230 F232A190-F224 VanDerWaalsContact O-CZ 3.3Å; A190-F224 WeakPolarHBondContact O-CZ 3.39Å; K195-F224 HydrophobicContact CD-CD1 4.38Å; K195-F224 HydrophobicContact CD-CE1 4.37Å; K195-F224 HydrophobicContact CG-CD1 4.31Å; K195-F224 HydrophobicContact CG-CE1 4.45Å; F222-F224 HydrophobicContact CB-CE2 4.05Å; F222-F224 HydrophobicContact CB-CZ 4.08Å; F222-F224 VanDerWaalsContact O-CD2 3.27Å; F222-F224 WeakPolarHBondContact O-CD2 3.31Å; F222-F224 WeakPolarHBondContact O-CE2 3.43Å; F224-E227 VanDerWaalsContact O-CG 3.27Å; F224-E227 WeakPolarHBondContact O-CG 3.12Å; F224-I230 HydrophobicContact CD1-CD1 4.28Å; F224-I230 HydrophobicContact CD1-CG2 4.33Å; F224-F232 AromaticContact CD1-CE2 3.95Å; F224-F232 HydrophobicContact CD1-CE2 3.95Å; F224-F232 HydrophobicContact CD1-CZ 4.39Å; F224-F232 HydrophobicContact CD2-CE2 4.03Å; F224-F232 AromaticContact CE1-CE2 3.51Å; F224-F232 HydrophobicContact CE1-CE2 3.51Å; F224-F232 AromaticContact CE1-CZ 3.51Å; F224-F232 HydrophobicContact CE1-CZ 3.51Å; F224-F232 AromaticContact CE2-CE2 3.61Å; F224-F232 HydrophobicContact CE2-CE2 3.61Å; F224-F232 AromaticContact CE2-CZ 3.78Å; F224-F232 HydrophobicContact CE2-CZ 3.78Å; F224-F232 HydrophobicContact CG-CE2 4.22Å; F224-F232 HydrophobicContact CZ-CE1 4.35Å; F224-F232 AromaticContact CZ-CE2 3.37Å; F224-F232 HydrophobicContact CZ-CE2 3.37Å; F224-F232 AromaticContact CZ-CZ 3.17Å; F224-F232 HydrophobicContact CZ-CZ 3.17Å
225Q64.1Low84.7Confident183 Ų18373.3 Ų73.386%0.85535%0.348SS*.SBendtrans-89.3-26.6175.9-69.1-168.5-20.400111.2E227Q225-E227 VanDerWaalsContact C-N 3.3Å; Q225-E227 PolarHBondContact O-N 3.05Å
226E64Low83.7Confident68 Ų6877 Ų7732%0.31837%0.37SS..  trans-88.450.8173.7-5299.2172.700113E228 Q229 I230E226-E228 PolarHBondContact O-N 2.89Å; E226-Q229 HydrophobicContact CB-CB 4.37Å; E226-Q229 PolarHBondContact O-N 3.17Å; E226-I230 PolarHBondContact O-N 3.17Å; E226-I230 VanDerWaalsContact O-N 3.11Å
227E62.3Low82.1Confident155 Ų15572.1 Ų72.172%0.72435%0.353SS*.THydrogen-bonded Turntrans-58.2-20.5-177.6-61.9178.3162.700113.4F224 Q225F224-E227 VanDerWaalsContact O-CG 3.27Å; F224-E227 WeakPolarHBondContact O-CG 3.12Å; Q225-E227 VanDerWaalsContact C-N 3.3Å; Q225-E227 PolarHBondContact O-N 3.05Å
228E68.1Low80Confident175 Ų17575.6 Ų75.682%0.81838%0.375SS*.THydrogen-bonded Turntrans-81.6-16177.3-64.1-169.5174.100114.3E226E226-E228 PolarHBondContact O-N 2.89Å
229Q81.9Confident77.5Confident53 Ų5379.8 Ų79.825%0.24840%0.404CS..THydrogen-bonded Turntrans-114.8-25-175-61.9-172-98.700113.9M198 P202 C204 K205 I206 E226M198-Q229 HydrophobicContact CG-CB 4.16Å; M198-Q229 HydrophobicContact SD-CB 3.87Å; P202-Q229 PolarHBondContact O-NE2 3.38Å; C204-Q229 PolarHBondContact O-NE2 3.21Å; K205-Q229 WeakPolarHBondContact CA-O 3.42Å; I206-Q229 PolarHBondContact N-O 2.96Å; E226-Q229 HydrophobicContact CB-CB 4.37Å; E226-Q229 PolarHBondContact O-N 3.17Å
230I90.9Very high74.6Confident10 Ų1079.5 Ų79.55%0.05141%0.412CS..EExtended strand (participates in β ladder)trans-109.8113.6178.2-53.1176.7000109.5A194 K195 M198 I206 V208 F224 E226 F232A194-I230 HydrophobicContact CB-CG2 4.46Å; K195-I230 HydrophobicContact CB-CD1 4.4Å; K195-I230 HydrophobicContact CG-CD1 3.72Å; M198-I230 HydrophobicContact CG-CD1 4.1Å; M198-I230 HydrophobicContact CG-CG1 3.67Å; I206-I230 HydrophobicContact CG2-CB 4.42Å; I206-I230 HydrophobicContact CG2-CG1 3.92Å; I206-I230 HydrophobicContact CG2-CG2 4.36Å; I206-I230 WeakPolarHBondContact O-CA 3.42Å; V208-I230 HydrophobicContact CG2-CG2 4.1Å; F224-I230 HydrophobicContact CD1-CD1 4.28Å; F224-I230 HydrophobicContact CD1-CG2 4.33Å; E226-I230 PolarHBondContact O-N 3.17Å; E226-I230 VanDerWaalsContact O-N 3.11Å; I230-F232 HydrophobicContact CG2-CE2 4.02Å
231D91.4Very high71.8Confident93 Ų9377.3 Ų77.350%0.49742%0.421SS..EExtended strand (participates in β ladder)trans-103.3157.7172.1-171.726.2000111I206 T207 V208I206-D231 PolarHBondContact O-N 3.19Å; T207-D231 CarbonylContact C-O 3.56Å; T207-D231 WeakPolarHBondContact CA-O 3.18Å; T207-D231 HydrophobicContact CG2-CB 4.42Å; V208-D231 PolarHBondContact N-O 3.37Å
232F91Very high69.2Low18 Ų1882.3 Ų82.38%0.07944%0.441CS..EExtended strand (participates in β ladder)trans-124.3119.9177.3-85.7-90.7000110.8V208 V215 A218 F224 I230V208-F232 HydrophobicContact CB-CD1 3.8Å; V208-F232 HydrophobicContact CB-CE1 3.63Å; V208-F232 HydrophobicContact CB-CG 4.37Å; V208-F232 HydrophobicContact CB-CZ 4.04Å; V208-F232 HydrophobicContact CG1-CD1 3.94Å; V208-F232 HydrophobicContact CG1-CE1 3.53Å; V208-F232 HydrophobicContact CG1-CZ 4.23Å; V208-F232 HydrophobicContact CG2-CE1 4.15Å; V208-F232 HydrophobicContact CG2-CZ 4.07Å; V208-F232 WeakPolarHBondContact O-CA 3.43Å; V215-F232 HydrophobicContact CG1-CB 3.97Å; V215-F232 HydrophobicContact CG1-CD1 4.13Å; V215-F232 HydrophobicContact CG1-CG 4.44Å; V215-F232 HydrophobicContact CG2-CD1 4.43Å; A218-F232 HydrophobicContact CB-CD1 4.47Å; A218-F232 HydrophobicContact CB-CE1 3.8Å; A218-F232 HydrophobicContact CB-CZ 4.29Å; F224-F232 AromaticContact CD1-CE2 3.95Å; F224-F232 HydrophobicContact CD1-CE2 3.95Å; F224-F232 HydrophobicContact CD1-CZ 4.39Å; F224-F232 HydrophobicContact CD2-CE2 4.03Å; F224-F232 AromaticContact CE1-CE2 3.51Å; F224-F232 HydrophobicContact CE1-CE2 3.51Å; F224-F232 AromaticContact CE1-CZ 3.51Å; F224-F232 HydrophobicContact CE1-CZ 3.51Å; F224-F232 AromaticContact CE2-CE2 3.61Å; F224-F232 HydrophobicContact CE2-CE2 3.61Å; F224-F232 AromaticContact CE2-CZ 3.78Å; F224-F232 HydrophobicContact CE2-CZ 3.78Å; F224-F232 HydrophobicContact CG-CE2 4.22Å; F224-F232 HydrophobicContact CZ-CE1 4.35Å; F224-F232 AromaticContact CZ-CE2 3.37Å; F224-F232 HydrophobicContact CZ-CE2 3.37Å; F224-F232 AromaticContact CZ-CZ 3.17Å; F224-F232 HydrophobicContact CZ-CZ 3.17Å; I230-F232 HydrophobicContact CG2-CE2 4.02Å
233Q91.6Very high66.7Low42 Ų4290.1 Ų90.120%0.19648%0.478CS..EExtended strand (participates in β ladder)trans-118127.1176.1-174.8178-30.800110.6T207 V208 F209 D210T207-Q233 HydrophobicContact CG2-CB 3.73Å; V208-Q233 PolarHBondContact O-N 3.29Å; F209-Q233 VanDerWaalsContact CA-O 3.29Å; F209-Q233 WeakPolarHBondContact CA-O 2.84Å; F209-Q233 HydrophobicContact CD2-CB 3.97Å; F209-Q233 HydrophobicContact CD2-CG 3.85Å; F209-Q233 WeakPolarHBondContact CD2-O 3.5Å; F209-Q233 HydrophobicContact CE2-CG 4.05Å; D210-Q233 PolarHBondContact N-O 2.96Å
234E90.8Very high64.6Low105 Ų10597.1 Ų97.149%0.49149%0.49SS..EExtended strand (participates in β ladder)trans-92.6147.4176.359.8-172.8-152.500112.8D210 P212 V215D210-E234 CarbonylContact O-C 3.56Å; D210-E234 VanDerWaalsContact O-CA 3.3Å; D210-E234 WeakPolarHBondContact O-CA 3.39Å; P212-E234 HydrophobicContact CB-CB 4.23Å; P212-E234 HydrophobicContact CG-CB 4.17Å; V215-E234 HydrophobicContact CB-CB 4.1Å; V215-E234 HydrophobicContact CG1-CB 4.33Å; V215-E234 HydrophobicContact CG2-CB 3.99Å
235G83.1Confident62.7Low6 Ų698.6 Ų98.66%0.06250%0.502CS..  trans170.1166.8170.100000112.4D210 I211D210-G235 CarbonylContact C-O 3.53Å; D210-G235 PolarHBondContact O-N 2.91Å; D210-G235 VanDerWaalsContact O-O 3.13Å; I211-G235 WeakPolarHBondContact CA-O 3.43Å
236V72.8Confident61.6Low77 Ų7791.4 Ų91.447%0.46747%0.471SS..  trans-97.7128.9178.5-164.90000109.9V238V236-V238 HydrophobicContact CB-CG2 4.1Å; V236-V238 HydrophobicContact CG1-CG2 3.3Å
237F61.1Low60.4Low54 Ų5492.4 Ų92.424%0.23749%0.485CS..  trans-90.9108.4166.9-171.6-100.1000108.2D262 W265 F266F237-D262 HydrophobicContact CD1-CB 4.46Å; F237-D262 WeakPolarHBondContact CD1-OD1 3.48Å; F237-D262 HydrophobicContact CE1-CB 3.88Å; F237-D262 WeakPolarHBondContact CE1-OD1 3.5Å; F237-D262 HydrophobicContact CZ-CB 4.22Å; F237-D262 VanDerWaalsContact CZ-O 3.29Å; F237-D262 WeakPolarHBondContact CZ-O 3.29Å; F237-W265 HydrophobicContact CD2-CE3 4.47Å; F237-W265 HydrophobicContact CD2-CZ3 4.43Å; F237-W265 HydrophobicContact CE1-CE3 4.33Å; F237-W265 HydrophobicContact CE2-CD2 4.34Å; F237-W265 AromaticContact CE2-CE3 3.39Å; F237-W265 HydrophobicContact CE2-CE3 3.39Å; F237-W265 AromaticContact CE2-CZ3 3.66Å; F237-W265 HydrophobicContact CE2-CZ3 3.66Å; F237-W265 HydrophobicContact CZ-CB 4.02Å; F237-W265 AromaticContact CZ-CD2 3.86Å; F237-W265 HydrophobicContact CZ-CD2 3.86Å; F237-W265 AromaticContact CZ-CE3 3.31Å; F237-W265 HydrophobicContact CZ-CE3 3.31Å; F237-W265 HydrophobicContact CZ-CG 4.17Å; F237-W265 HydrophobicContact CZ-CZ3 4.04Å; F237-F266 HydrophobicContact CE2-CD2 4.22Å
238V50.8Low59.1Low76 Ų7694.4 Ų94.446%0.46149%0.486SS..  trans-128.6129.7176.9-158.70000110.5V236 V240V236-V238 HydrophobicContact CB-CG2 4.1Å; V236-V238 HydrophobicContact CG1-CG2 3.3Å; V238-V240 HydrophobicContact CG1-CB 4.36Å; V238-V240 PolarHBondContact O-N 3.28Å
239S40.6Very low57.9Low87 Ų8786.2 Ų86.261%0.60845%0.448SS*.SBendtrans-74.75.2174.659.40000114.4
240V30.8Very low56Low114 Ų11485.7 Ų85.769%0.69145%0.447SS*.SBendtrans-123.7104.8-176-170.60000111.5V238V238-V240 HydrophobicContact CG1-CB 4.36Å; V238-V240 PolarHBondContact O-N 3.28Å
241G35.4Very low53.6Low70 Ų7092.9 Ų92.972%0.72248%0.48SS*.SBendtrans48.882.7148.500000117.4
242K37.4Very low51.4Low205 Ų20589.9 Ų89.989%0.89147%0.471SS*.  trans74.694167.4-55170.7176.9172.10115
243Q34.5Very low49.5Very low187 Ų18795 Ų9587%0.87450%0.499SS*.  trans-155.9147.3131.3-110.51671700112.7
244R37.9Very low47.8Very low239 Ų23994.4 Ų94.490%0.90250%0.495SS*.  trans-91.8105.6-168.2-74.1171.8168.8172.2-4.9109.8
245C35.5Very low46.5Very low53 Ų5389.9 Ų89.936%0.35847%0.474SS..  trans-142-22.6159.2-93.60000113.3F209 S247F209-C245 HydrophobicContact CZ-CB 4.48Å; C245-S247 VanDerWaalsContact C-N 3.27Å; C245-S247 PolarHBondContact O-N 3.07Å
246V41.2Very low45.7Very low33 Ų3389.6 Ų89.620%0.247%0.471CS..THydrogen-bonded Turntrans-70.3-17.5-176.6-176.40000113.9R248 L249 L250 F266V246-R248 PolarHBondContact O-N 3.09Å; V246-R248 VanDerWaalsContact O-N 3.08Å; V246-L249 PolarHBondContact O-N 3.26Å; V246-L250 HydrophobicContact CG1-CD1 3.79Å; V246-L250 HydrophobicContact CG1-CD2 4.38Å; V246-L250 HydrophobicContact CG1-CG 3.87Å; V246-L250 WeakPolarHBondContact O-CG 3.49Å; V246-L250 PolarHBondContact O-N 2.84Å; V246-F266 HydrophobicContact CB-CE2 4.47Å; V246-F266 HydrophobicContact CG1-CD2 4.1Å; V246-F266 HydrophobicContact CG1-CE2 3.24Å; V246-F266 HydrophobicContact CG1-CZ 3.55Å; V246-F266 HydrophobicContact CG2-CE2 4.47Å
247S38.8Very low45.1Very low88 Ų8885.9 Ų85.962%0.61545%0.449SS*.THydrogen-bonded Turntrans-66.4-18.1-170.564.70000115.4C245C245-S247 VanDerWaalsContact C-N 3.27Å; C245-S247 PolarHBondContact O-N 3.07Å
248R36.5Very low44.9Very low197 Ų19783.8 Ų83.874%0.74344%0.443SS*.THydrogen-bonded Turntrans-86.1-34.2179.5-147.4177.4-164-172.91.9112.6V246 L250V246-R248 PolarHBondContact O-N 3.09Å; V246-R248 VanDerWaalsContact O-N 3.08Å; R248-L250 PolarHBondContact O-N 2.94Å
249L41.3Very low44.9Very low4 Ų483.8 Ų83.82%0.02144%0.44CS..THydrogen-bonded Turntrans-73.9-11.9174.9-70.6165.7000112.9C184 T207 F209 V246 W254C184-L249 HydrophobicContact CB-CD2 4.38Å; T207-L249 HydrophobicContact CG2-CD2 4.42Å; F209-L249 HydrophobicContact CB-CD1 4.47Å; F209-L249 HydrophobicContact CD2-CD1 3.67Å; F209-L249 HydrophobicContact CE2-CD1 4.14Å; F209-L249 HydrophobicContact CG-CD1 4.13Å; V246-L249 PolarHBondContact O-N 3.26Å; L249-W254 PolarHBondContact O-NE1 3.16Å; L249-W254 VanDerWaalsContact O-NE1 3.11Å
250L43.3Very low44.9Very low41 Ų4186 Ų8622%0.21544%0.441CS..THydrogen-bonded Turntrans-91.28-179.7-68.7175.3000114.2V246 R248 F266V246-L250 HydrophobicContact CG1-CD1 3.79Å; V246-L250 HydrophobicContact CG1-CD2 4.38Å; V246-L250 HydrophobicContact CG1-CG 3.87Å; V246-L250 WeakPolarHBondContact O-CG 3.49Å; V246-L250 PolarHBondContact O-N 2.84Å; R248-L250 PolarHBondContact O-N 2.94Å; L250-F266 HydrophobicContact CD2-CE1 3.51Å; L250-F266 HydrophobicContact CD2-CZ 3.54Å; L250-F266 HydrophobicContact CG-CZ 4.21Å
251Q40.3Very low45.8Very low162 Ų16288.4 Ų88.476%0.75744%0.444SS*.SBendtrans-97.286.7171-69.9-174.4-7.800108.8W254Q251-W254 PolarHBondContact O-NE1 3.47Å
252G44.6Very low46.6Very low29 Ų2987.2 Ų87.230%0.29942%0.421SS..SBendtrans142171.5175.700000114.1W254G252-W254 VanDerWaalsContact O-CD1 3.31Å; G252-W254 PolarHBondContact O-N 3.18Å
253D52.1Low47.5Very low127 Ų12777.4 Ų77.468%0.67938%0.379SS*.  trans-8796.9169.6-68.9-26.9000108.4
254W54.5Low48.2Very low29 Ų2974.1 Ų74.111%0.1137%0.365CS..PPolyproline II helixtrans-103.7144.3-177.7-66.384.3000111.3L182 M183 C184 L249 Q251 G252 F256L182-W254 HydrophobicContact CB-CD2 4.1Å; L182-W254 HydrophobicContact CB-CE3 3.84Å; L182-W254 HydrophobicContact CB-CH2 4.17Å; L182-W254 HydrophobicContact CB-CZ2 4.41Å; L182-W254 HydrophobicContact CB-CZ3 3.88Å; L182-W254 HydrophobicContact CD1-CH2 4.47Å; L182-W254 HydrophobicContact CD1-CZ2 4.18Å; M183-W254 VanDerWaalsContact O-CZ3 3.29Å; M183-W254 WeakPolarHBondContact O-CZ3 3.09Å; C184-W254 HydrophobicContact CB-CE3 4.07Å; C184-W254 HydrophobicContact CB-CZ3 4.49Å; L249-W254 PolarHBondContact O-NE1 3.16Å; L249-W254 VanDerWaalsContact O-NE1 3.11Å; Q251-W254 PolarHBondContact O-NE1 3.47Å; G252-W254 VanDerWaalsContact O-CD1 3.31Å; G252-W254 PolarHBondContact O-N 3.18Å; W254-F256 HydrophobicContact CB-CE2 3.88Å; W254-F256 HydrophobicContact CB-CZ 3.83Å; W254-F256 HydrophobicContact CG-CZ 4.48Å
255M64.3Low48.9Very low9 Ų965.9 Ų65.94%0.04433%0.334CS..EExtended strand (participates in β ladder)trans-95.5129.7161.917159.490.500109.5L177 F180 L182 M183 C184 L257 N277 T278 V279L177-M255 HydrophobicContact CD2-CE 4.19Å; F180-M255 HydrophobicContact CB-CB 3.9Å; F180-M255 HydrophobicContact CD1-CB 4.19Å; F180-M255 HydrophobicContact CD2-CB 3.99Å; F180-M255 HydrophobicContact CD2-CE 3.75Å; F180-M255 HydrophobicContact CD2-CG 4.23Å; F180-M255 HydrophobicContact CE1-CE 4.45Å; F180-M255 HydrophobicContact CE2-CE 3.26Å; F180-M255 HydrophobicContact CG-CB 3.74Å; F180-M255 HydrophobicContact CG-CG 4.47Å; F180-M255 HydrophobicContact CZ-CE 3.67Å; L182-M255 PolarHBondContact O-N 2.93Å; M183-M255 WeakPolarHBondContact CA-O 3.26Å; M183-M255 HydrophobicContact CG-CB 4.31Å; C184-M255 PolarHBondContact N-O 3.44Å; M255-L257 HydrophobicContact CG-CD2 4.32Å; M255-N277 HydrophobicContact CE-CB 3.86Å; M255-N277 HydrophobicContact SD-CB 4.18Å; M255-T278 VanDerWaalsContact SD-CA 3.56Å; M255-V279 HydrophobicContact CE-CG2 3.66Å; M255-V279 HydrophobicContact SD-CG2 3.86Å
256F65.2Low49.8Very low0 Ų063.5 Ų63.50%032%0.317CS..EExtended strand (participates in β ladder)trans-103.7129.7176.6-65.1-78.2000111.7C184 L186 W254 F266 L276 N277 T278 V279C184-F256 HydrophobicContact CB-CD1 3.79Å; C184-F256 HydrophobicContact CB-CE1 3.73Å; C184-F256 WeakPolarHBondContact O-CA 3.44Å; L186-F256 HydrophobicContact CD1-CB 4.12Å; L186-F256 HydrophobicContact CD1-CD1 3.5Å; L186-F256 VanDerWaalsContact CD1-CD1 3.5Å; L186-F256 HydrophobicContact CD1-CE1 4.26Å; L186-F256 HydrophobicContact CD1-CG 4.05Å; L186-F256 HydrophobicContact CD2-CD1 4.14Å; L186-F256 HydrophobicContact CD2-CE1 4.37Å; L186-F256 HydrophobicContact CG-CD1 3.73Å; L186-F256 HydrophobicContact CG-CE1 4.44Å; W254-F256 HydrophobicContact CB-CE2 3.88Å; W254-F256 HydrophobicContact CB-CZ 3.83Å; W254-F256 HydrophobicContact CG-CZ 4.48Å; F256-F266 HydrophobicContact CD1-CE1 4.46Å; F256-F266 HydrophobicContact CD1-CZ 4.41Å; F256-F266 HydrophobicContact CD2-CD1 4.01Å; F256-F266 AromaticContact CD2-CE1 3.93Å; F256-F266 HydrophobicContact CD2-CE1 3.93Å; F256-F266 HydrophobicContact CE1-CD1 4.4Å; F256-F266 AromaticContact CE1-CE1 3.8Å; F256-F266 HydrophobicContact CE1-CE1 3.8Å; F256-F266 AromaticContact CE1-CE2 3.9Å; F256-F266 HydrophobicContact CE1-CE2 3.9Å; F256-F266 AromaticContact CE1-CZ 3.52Å; F256-F266 HydrophobicContact CE1-CZ 3.52Å; F256-F266 AromaticContact CE2-CD1 3.73Å; F256-F266 HydrophobicContact CE2-CD1 3.73Å; F256-F266 AromaticContact CE2-CE1 3.19Å; F256-F266 HydrophobicContact CE2-CE1 3.19Å; F256-F266 AromaticContact CE2-CZ 3.78Å; F256-F266 HydrophobicContact CE2-CZ 3.78Å; F256-F266 HydrophobicContact CG-CD1 4.48Å; F256-F266 AromaticContact CZ-CD1 3.96Å; F256-F266 HydrophobicContact CZ-CD1 3.96Å; F256-F266 AromaticContact CZ-CE1 3.11Å; F256-F266 HydrophobicContact CZ-CE1 3.11Å; F256-F266 HydrophobicContact CZ-CE2 4.01Å; F256-F266 AromaticContact CZ-CZ 3.15Å; F256-F266 HydrophobicContact CZ-CZ 3.15Å; F256-L276 HydrophobicContact CD2-CD1 4.5Å; F256-L276 HydrophobicContact CE2-CD1 4.08Å; F256-L276 HydrophobicContact CE2-CD2 3.87Å; F256-L276 HydrophobicContact CE2-CG 4.5Å; F256-N277 PolarHBondContact N-O 3.14Å; F256-T278 HydrophobicContact CB-CG2 4.42Å; F256-V279 PolarHBondContact O-N 3.44Å
257L60.7Low50.5Low0 Ų064.8 Ų64.80%033%0.328CS..EExtended strand (participates in β ladder)trans-106.3132.7170.3-56.3-174.2000108.4L172 C184 L186 L193 I206 M255 V279 Y281L172-L257 HydrophobicContact CD2-CD1 3.99Å; C184-L257 PolarHBondContact O-N 3.3Å; L186-L257 PolarHBondContact N-O 2.7Å; L193-L257 HydrophobicContact CD2-CD1 4.21Å; I206-L257 HydrophobicContact CD1-CD1 4.38Å; M255-L257 HydrophobicContact CG-CD2 4.32Å; L257-V279 HydrophobicContact CD2-CB 3.94Å; L257-V279 HydrophobicContact CD2-CG2 4.5Å; L257-Y281 HydrophobicContact CB-CE2 4Å; L257-Y281 HydrophobicContact CD1-CE2 4.42Å; L257-Y281 HydrophobicContact CD2-CE2 3.94Å; L257-Y281 VanDerWaalsContact CD2-OH 3.27Å; L257-Y281 WeakPolarHBondContact CD2-OH 3.12Å; L257-Y281 HydrophobicContact CG-CE2 4.33Å
258G57.6Low51.2Low10 Ų1064.2 Ų64.210%0.10332%0.324CS..EExtended strand (participates in β ladder)trans174.1180-179.500000112.8C280 Y281G258-C280 WeakPolarHBondContact O-CA 3.48Å; G258-Y281 PolarHBondContact O-N 3.41Å
259N50.3Low51.9Low75 Ų7559.2 Ų59.240%0.40131%0.309SS..  trans-69.7161.1171.570.343.8000110.9E261 D262 V263N259-E261 VanDerWaalsContact C-N 3.34Å; N259-E261 PolarHBondContact O-N 2.84Å; N259-E261 PolarHBondContact OD1-N 3.16Å; N259-D262 VanDerWaalsContact CG-OD2 3.26Å; N259-D262 PolarHBondContact ND2-OD2 3.38Å; N259-D262 PolarHBondContact O-N 2.66Å; N259-D262 VanDerWaalsContact OD1-CB 3.29Å; N259-D262 WeakPolarHBondContact OD1-CB 3.38Å; N259-D262 PolarHBondContact OD1-N 2.68Å; N259-D262 PolarHBondContact OD1-OD2 3.29Å; N259-V263 WeakPolarHBondContact O-CB 3.31Å; N259-V263 WeakPolarHBondContact O-CG2 3.38Å; N259-V263 PolarHBondContact O-N 3.45Å; N259-V263 VanDerWaalsContact O-N 3.13Å
260E40.9Very low52.4Low134 Ų13459.5 Ų59.563%0.62631%0.311SS*.Hα-helixtrans-60.3-39.3-173.6-168.3176.9177.900113.4M264 C280E260-M264 HydrophobicContact CG-CG 4.18Å; E260-M264 WeakPolarHBondContact O-CB 3.21Å; E260-M264 WeakPolarHBondContact O-CG 3.45Å; E260-M264 PolarHBondContact O-N 3Å; E260-C280 HydrophobicContact CB-CB 4.22Å; E260-C280 HydrophobicContact CG-CB 4.47Å
261E48.8Very low52.4Low164 Ų16468.6 Ų68.677%0.76634%0.342SS*.Hα-helixtrans-66.2-45.7-178.7-67.8-168.515900112.3N259 W265N259-E261 VanDerWaalsContact C-N 3.34Å; N259-E261 PolarHBondContact O-N 2.84Å; N259-E261 PolarHBondContact OD1-N 3.16Å; E261-W265 WeakPolarHBondContact O-CB 3.36Å; E261-W265 PolarHBondContact O-N 3.43Å; E261-W265 VanDerWaalsContact O-N 3.09Å
262D53.8Low52.7Low45 Ų4569.4 Ų69.424%0.24134%0.343CS..Hα-helixtrans-67.6-41.9-178-68.1-28.7000111.1F237 N259 F266F237-D262 HydrophobicContact CD1-CB 4.46Å; F237-D262 WeakPolarHBondContact CD1-OD1 3.48Å; F237-D262 HydrophobicContact CE1-CB 3.88Å; F237-D262 WeakPolarHBondContact CE1-OD1 3.5Å; F237-D262 HydrophobicContact CZ-CB 4.22Å; F237-D262 VanDerWaalsContact CZ-O 3.29Å; F237-D262 WeakPolarHBondContact CZ-O 3.29Å; N259-D262 VanDerWaalsContact CG-OD2 3.26Å; N259-D262 PolarHBondContact ND2-OD2 3.38Å; N259-D262 PolarHBondContact O-N 2.66Å; N259-D262 VanDerWaalsContact OD1-CB 3.29Å; N259-D262 WeakPolarHBondContact OD1-CB 3.38Å; N259-D262 PolarHBondContact OD1-N 2.68Å; N259-D262 PolarHBondContact OD1-OD2 3.29Å; D262-F266 WeakPolarHBondContact O-CB 3.23Å; D262-F266 PolarHBondContact O-N 2.92Å; D262-F266 VanDerWaalsContact O-N 3.08Å
263V55.8Low52.7Low0 Ų071.4 Ų71.40%035%0.345CS..Hα-helixtrans-67.6-44.7179.3171.40000111.8N259 W265 F266 S267 T278 C280N259-V263 WeakPolarHBondContact O-CB 3.31Å; N259-V263 WeakPolarHBondContact O-CG2 3.38Å; N259-V263 PolarHBondContact O-N 3.45Å; N259-V263 VanDerWaalsContact O-N 3.13Å; V263-W265 PolarHBondContact O-N 2.95Å; V263-F266 PolarHBondContact O-N 3.4Å; V263-S267 PolarHBondContact O-N 3.45Å; V263-T278 HydrophobicContact CG1-CG2 3.41Å; V263-T278 VanDerWaalsContact CG1-CG2 3.41Å; V263-C280 VanDerWaalsContact CG1-SG 3.55Å
264M49Very low52.1Low118 Ų11871.8 Ų71.858%0.58135%0.354SS*.Hα-helixtrans-66.1-37.1179.3-74.2-69.9-76.800112.4E260 S268E260-M264 HydrophobicContact CG-CG 4.18Å; E260-M264 WeakPolarHBondContact O-CB 3.21Å; E260-M264 WeakPolarHBondContact O-CG 3.45Å; E260-M264 PolarHBondContact O-N 3Å; M264-S268 PolarHBondContact O-N 3.03Å; M264-S268 PolarHBondContact O-OG 3.3Å; M264-S268 VanDerWaalsContact O-OG 3.12Å
265W51.8Low51.6Low65 Ų6578.1 Ų78.125%0.24639%0.385CS..Hα-helixtrans-65.9-43.2173.8-17598.2000111.6F237 E261 V263 S267 S268 H269F237-W265 HydrophobicContact CD2-CE3 4.47Å; F237-W265 HydrophobicContact CD2-CZ3 4.43Å; F237-W265 HydrophobicContact CE1-CE3 4.33Å; F237-W265 HydrophobicContact CE2-CD2 4.34Å; F237-W265 AromaticContact CE2-CE3 3.39Å; F237-W265 HydrophobicContact CE2-CE3 3.39Å; F237-W265 AromaticContact CE2-CZ3 3.66Å; F237-W265 HydrophobicContact CE2-CZ3 3.66Å; F237-W265 HydrophobicContact CZ-CB 4.02Å; F237-W265 AromaticContact CZ-CD2 3.86Å; F237-W265 HydrophobicContact CZ-CD2 3.86Å; F237-W265 AromaticContact CZ-CE3 3.31Å; F237-W265 HydrophobicContact CZ-CE3 3.31Å; F237-W265 HydrophobicContact CZ-CG 4.17Å; F237-W265 HydrophobicContact CZ-CZ3 4.04Å; E261-W265 WeakPolarHBondContact O-CB 3.36Å; E261-W265 PolarHBondContact O-N 3.43Å; E261-W265 VanDerWaalsContact O-N 3.09Å; V263-W265 PolarHBondContact O-N 2.95Å; W265-S267 VanDerWaalsContact C-N 3.34Å; W265-S267 PolarHBondContact O-N 3.49Å; W265-S268 WeakPolarHBondContact CA-OG 3.49Å; W265-S268 PolarHBondContact O-N 3.34Å; W265-S268 VanDerWaalsContact O-N 3.11Å; W265-S268 PolarHBondContact O-OG 2.93Å; W265-H269 AromaticContact CD1-CE1 3.69Å; W265-H269 AromaticContact CD1-ND1 3.72Å; W265-H269 HydrophobicContact CD2-CB 4.27Å; W265-H269 AromaticContact CD2-CG 3.97Å; W265-H269 AromaticContact CD2-ND1 3.69Å; W265-H269 AromaticContact CE2-CD2 3.88Å; W265-H269 AromaticContact CE2-CE1 3.74Å; W265-H269 AromaticContact CE2-CG 3.56Å; W265-H269 AromaticContact CE2-ND1 3.47Å; W265-H269 HydrophobicContact CE3-CB 4.12Å; W265-H269 AromaticContact CG-ND1 3.87Å; W265-H269 HydrophobicContact CH2-CB 3.86Å; W265-H269 HydrophobicContact CZ2-CB 3.98Å; W265-H269 AromaticContact CZ2-CD2 3.69Å; W265-H269 AromaticContact CZ2-CG 3.61Å; W265-H269 HydrophobicContact CZ3-CB 3.92Å; W265-H269 AromaticContact NE1-CE1 3.31Å; W265-H269 PolarHBondContact NE1-CE1 2.69Å; W265-H269 VanDerWaalsContact NE1-CE1 3.31Å; W265-H269 AromaticContact NE1-CG 3.96Å; W265-H269 AromaticContact NE1-ND1 3.47Å; W265-H269 PolarHBondContact NE1-ND1 2.99Å; W265-H269 AromaticContact NE1-NE2 3.74Å; W265-H269 PolarHBondContact O-N 3.48Å; W265-H269 PolarHBondContact O-ND1 3.36Å; W265-H269 VanDerWaalsContact O-ND1 3.15Å
266F54.4Low51Low4 Ų478.7 Ų78.72%0.01839%0.388CS..Hα-helixtrans-60.1-46.3179.4-163.6-78.2000111.1L186 F237 V246 L250 F256 D262 V263 S268 H269 S270 L276L186-F266 HydrophobicContact CD1-CD2 4.02Å; L186-F266 HydrophobicContact CD1-CG 4.39Å; F237-F266 HydrophobicContact CE2-CD2 4.22Å; V246-F266 HydrophobicContact CB-CE2 4.47Å; V246-F266 HydrophobicContact CG1-CD2 4.1Å; V246-F266 HydrophobicContact CG1-CE2 3.24Å; V246-F266 HydrophobicContact CG1-CZ 3.55Å; V246-F266 HydrophobicContact CG2-CE2 4.47Å; L250-F266 HydrophobicContact CD2-CE1 3.51Å; L250-F266 HydrophobicContact CD2-CZ 3.54Å; L250-F266 HydrophobicContact CG-CZ 4.21Å; F256-F266 HydrophobicContact CD1-CE1 4.46Å; F256-F266 HydrophobicContact CD1-CZ 4.41Å; F256-F266 HydrophobicContact CD2-CD1 4.01Å; F256-F266 AromaticContact CD2-CE1 3.93Å; F256-F266 HydrophobicContact CD2-CE1 3.93Å; F256-F266 HydrophobicContact CE1-CD1 4.4Å; F256-F266 AromaticContact CE1-CE1 3.8Å; F256-F266 HydrophobicContact CE1-CE1 3.8Å; F256-F266 AromaticContact CE1-CE2 3.9Å; F256-F266 HydrophobicContact CE1-CE2 3.9Å; F256-F266 AromaticContact CE1-CZ 3.52Å; F256-F266 HydrophobicContact CE1-CZ 3.52Å; F256-F266 AromaticContact CE2-CD1 3.73Å; F256-F266 HydrophobicContact CE2-CD1 3.73Å; F256-F266 AromaticContact CE2-CE1 3.19Å; F256-F266 HydrophobicContact CE2-CE1 3.19Å; F256-F266 AromaticContact CE2-CZ 3.78Å; F256-F266 HydrophobicContact CE2-CZ 3.78Å; F256-F266 HydrophobicContact CG-CD1 4.48Å; F256-F266 AromaticContact CZ-CD1 3.96Å; F256-F266 HydrophobicContact CZ-CD1 3.96Å; F256-F266 AromaticContact CZ-CE1 3.11Å; F256-F266 HydrophobicContact CZ-CE1 3.11Å; F256-F266 HydrophobicContact CZ-CE2 4.01Å; F256-F266 AromaticContact CZ-CZ 3.15Å; F256-F266 HydrophobicContact CZ-CZ 3.15Å; D262-F266 WeakPolarHBondContact O-CB 3.23Å; D262-F266 PolarHBondContact O-N 2.92Å; D262-F266 VanDerWaalsContact O-N 3.08Å; V263-F266 PolarHBondContact O-N 3.4Å; F266-S268 PolarHBondContact O-N 2.96Å; F266-H269 PolarHBondContact O-N 3.42Å; F266-S270 WeakPolarHBondContact O-CB 3.33Å; F266-S270 PolarHBondContact O-N 2.85Å; F266-S270 PolarHBondContact O-OG 2.71Å; F266-S270 VanDerWaalsContact O-OG 3.09Å; F266-L276 HydrophobicContact CD1-CD1 3.33Å; F266-L276 HydrophobicContact CE1-CD1 3.42Å; F266-L276 VanDerWaalsContact CE1-CD1 3.42Å
267S56.9Low50.3Low59 Ų5982 Ų8241%0.41341%0.406SS..Hα-helixtrans-59.8-29.8176.2-173.80000113.8V263 W265 S270V263-S267 PolarHBondContact O-N 3.45Å; W265-S267 VanDerWaalsContact C-N 3.34Å; W265-S267 PolarHBondContact O-N 3.49Å; S267-S270 PolarHBondContact O-OG 2.93Å
268S52.6Low50Low76 Ų7684.5 Ų84.553%0.53142%0.421SS..Hα-helixtrans-88.2-21.8-17957.40000114M264 W265 F266M264-S268 PolarHBondContact O-N 3.03Å; M264-S268 PolarHBondContact O-OG 3.3Å; M264-S268 VanDerWaalsContact O-OG 3.12Å; W265-S268 WeakPolarHBondContact CA-OG 3.49Å; W265-S268 PolarHBondContact O-N 3.34Å; W265-S268 VanDerWaalsContact O-N 3.11Å; W265-S268 PolarHBondContact O-OG 2.93Å; F266-S268 PolarHBondContact O-N 2.96Å
269H51.1Low49.7Very low93 Ų9384.7 Ų84.743%0.43142%0.421SS..Hα-helixtrans-106.9-9.1-175.7-71.274.2000114.3W265 F266 R271W265-H269 AromaticContact CD1-CE1 3.69Å; W265-H269 AromaticContact CD1-ND1 3.72Å; W265-H269 HydrophobicContact CD2-CB 4.27Å; W265-H269 AromaticContact CD2-CG 3.97Å; W265-H269 AromaticContact CD2-ND1 3.69Å; W265-H269 AromaticContact CE2-CD2 3.88Å; W265-H269 AromaticContact CE2-CE1 3.74Å; W265-H269 AromaticContact CE2-CG 3.56Å; W265-H269 AromaticContact CE2-ND1 3.47Å; W265-H269 HydrophobicContact CE3-CB 4.12Å; W265-H269 AromaticContact CG-ND1 3.87Å; W265-H269 HydrophobicContact CH2-CB 3.86Å; W265-H269 HydrophobicContact CZ2-CB 3.98Å; W265-H269 AromaticContact CZ2-CD2 3.69Å; W265-H269 AromaticContact CZ2-CG 3.61Å; W265-H269 HydrophobicContact CZ3-CB 3.92Å; W265-H269 AromaticContact NE1-CE1 3.31Å; W265-H269 PolarHBondContact NE1-CE1 2.69Å; W265-H269 VanDerWaalsContact NE1-CE1 3.31Å; W265-H269 AromaticContact NE1-CG 3.96Å; W265-H269 AromaticContact NE1-ND1 3.47Å; W265-H269 PolarHBondContact NE1-ND1 2.99Å; W265-H269 AromaticContact NE1-NE2 3.74Å; W265-H269 PolarHBondContact O-N 3.48Å; W265-H269 PolarHBondContact O-ND1 3.36Å; W265-H269 VanDerWaalsContact O-ND1 3.15Å; F266-H269 PolarHBondContact O-N 3.42Å; H269-R271 PolarHBondContact O-N 2.74Å
270S52.7Low49.6Very low10 Ų1083.6 Ų83.67%0.0742%0.418CS..  trans-73.464.7167.959.50000112F266 S267 K272 H273 L276F266-S270 WeakPolarHBondContact O-CB 3.33Å; F266-S270 PolarHBondContact O-N 2.85Å; F266-S270 PolarHBondContact O-OG 2.71Å; F266-S270 VanDerWaalsContact O-OG 3.09Å; S267-S270 PolarHBondContact O-OG 2.93Å; S270-K272 PolarHBondContact O-N 2.65Å; S270-H273 PolarHBondContact O-N 3.26Å; S270-L276 VanDerWaalsContact CB-CD1 3.44Å; S270-L276 WeakPolarHBondContact OG-CD1 3.35Å
271R43Very low50.2Low231 Ų23179 Ų7987%0.87240%0.395SS*.THydrogen-bonded Turntrans-58.55.8-175.6-67.2-172.8-170.4-170.12.3116.5H269H269-R271 PolarHBondContact O-N 2.74Å
272K47.2Very low49.5Very low179 Ų17980.4 Ų80.478%0.77842%0.423SS*.THydrogen-bonded Turntrans-116-10.9-179.2-74.5-169.7176.6-174.90115.7S270S270-K272 PolarHBondContact O-N 2.65Å
273H44.8Very low49.3Very low71 Ų7182.2 Ų82.233%0.32943%0.433SS..  trans-137.6102.5-175.7-69.2-80.2000110.3S270 Q275 L276S270-H273 PolarHBondContact O-N 3.26Å; H273-Q275 PolarHBondContact O-N 2.83Å; H273-Q275 VanDerWaalsContact O-N 3.1Å; H273-L276 HydrophobicContact CB-CD2 4.43Å
274P39Very low48.9Very low136 Ų13686.5 Ų86.588%0.88346%0.455SS*.SBendtrans-72.55.8-176-14.529.2000115.1
275Q43.3Very low48.9Very low161 Ų16184.8 Ų84.875%0.75245%0.448SS*.  trans-140.570.1-177.5-64.7-169.1-1.400109.8H273H273-Q275 PolarHBondContact O-N 2.83Å; H273-Q275 VanDerWaalsContact O-N 3.1Å
276L51.2Low48.8Very low22 Ų2285.9 Ų85.912%0.11546%0.46CS..  trans-82123.7165-71.9-174000108.5F256 F266 S270 H273F256-L276 HydrophobicContact CD2-CD1 4.5Å; F256-L276 HydrophobicContact CE2-CD1 4.08Å; F256-L276 HydrophobicContact CE2-CD2 3.87Å; F256-L276 HydrophobicContact CE2-CG 4.5Å; F266-L276 HydrophobicContact CD1-CD1 3.33Å; F266-L276 HydrophobicContact CE1-CD1 3.42Å; F266-L276 VanDerWaalsContact CE1-CD1 3.42Å; S270-L276 VanDerWaalsContact CB-CD1 3.44Å; S270-L276 WeakPolarHBondContact OG-CD1 3.35Å; H273-L276 HydrophobicContact CB-CD2 4.43Å
277N52.2Low48.4Very low68 Ų6891.1 Ų91.136%0.36449%0.488SS..EExtended strand (participates in β ladder)trans-84.3133.5173.6-63.5-58.8000108.1F180 M255 F256F180-N277 HydrophobicContact CE1-CB 3.75Å; F180-N277 VanDerWaalsContact CE1-ND2 3.31Å; F180-N277 WeakPolarHBondContact CE1-ND2 3.35Å; F180-N277 HydrophobicContact CZ-CB 3.86Å; M255-N277 HydrophobicContact CE-CB 3.86Å; M255-N277 HydrophobicContact SD-CB 4.18Å; F256-N277 PolarHBondContact N-O 3.14Å
278T53.4Low47.8Very low54 Ų5493.2 Ų93.233%0.33149%0.493SS..EExtended strand (participates in β ladder)trans-139.6143.5-173.259.20000111.2M255 F256 V263M255-T278 VanDerWaalsContact SD-CA 3.56Å; F256-T278 HydrophobicContact CB-CG2 4.42Å; V263-T278 HydrophobicContact CG1-CG2 3.41Å; V263-T278 VanDerWaalsContact CG1-CG2 3.41Å
279V52.3Low47.5Very low14 Ų1494.4 Ų94.49%0.08549%0.49CS..EExtended strand (participates in β ladder)trans-124.7115.9166.5-175.30000107.8F175 L177 M255 F256 L257 Y281F175-V279 HydrophobicContact CD2-CG1 4.4Å; F175-V279 HydrophobicContact CD2-CG2 4.26Å; F175-V279 HydrophobicContact CE2-CG1 4.39Å; L177-V279 HydrophobicContact CD2-CG2 4.36Å; M255-V279 HydrophobicContact CE-CG2 3.66Å; M255-V279 HydrophobicContact SD-CG2 3.86Å; F256-V279 PolarHBondContact O-N 3.44Å; L257-V279 HydrophobicContact CD2-CB 3.94Å; L257-V279 HydrophobicContact CD2-CG2 4.5Å; V279-Y281 HydrophobicContact CB-CE1 4.22Å; V279-Y281 HydrophobicContact CG1-CD1 3.97Å; V279-Y281 HydrophobicContact CG1-CE1 3.19Å
280C46.5Very low47.2Very low52 Ų5294.5 Ų94.535%0.35150%0.495SS..EExtended strand (participates in β ladder)trans-89.4138.4173.3-55.40000109.4G258 E260 V263G258-C280 WeakPolarHBondContact O-CA 3.48Å; E260-C280 HydrophobicContact CB-CB 4.22Å; E260-C280 HydrophobicContact CG-CB 4.47Å; V263-C280 VanDerWaalsContact CG1-SG 3.55Å
281Y54.5Low46.8Very low37 Ų37101.6 Ų101.615%0.14553%0.53CS..  trans-110.4139168.9-50.4-55.3000109.3V171 L193 L257 G258 V279V171-Y281 HydrophobicContact CB-CE1 4.3Å; V171-Y281 HydrophobicContact CG1-CD1 3.19Å; V171-Y281 HydrophobicContact CG1-CD2 4.15Å; V171-Y281 HydrophobicContact CG1-CE1 2.91Å; V171-Y281 HydrophobicContact CG1-CE2 3.9Å; V171-Y281 HydrophobicContact CG1-CG 3.8Å; L193-Y281 HydrophobicContact CD2-CD2 4.31Å; L193-Y281 HydrophobicContact CD2-CE2 3.81Å; L257-Y281 HydrophobicContact CB-CE2 4Å; L257-Y281 HydrophobicContact CD1-CE2 4.42Å; L257-Y281 HydrophobicContact CD2-CE2 3.94Å; L257-Y281 VanDerWaalsContact CD2-OH 3.27Å; L257-Y281 WeakPolarHBondContact CD2-OH 3.12Å; L257-Y281 HydrophobicContact CG-CE2 4.33Å; G258-Y281 PolarHBondContact O-N 3.41Å; V279-Y281 HydrophobicContact CB-CE1 4.22Å; V279-Y281 HydrophobicContact CG1-CD1 3.97Å; V279-Y281 HydrophobicContact CG1-CE1 3.19Å
282S33.9Very low47.1Very low194 Ų19489.8 Ų89.8100%1.35750%0.499SS*.  trans-79.90-178.761.90000112.8

Retrieved 282 of 282 residues in 70.2 ms (Link to these results)

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