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Acetylserotonin O-methyltransferase

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

AlphaFold DB , UniProt , Accession X5D784, Species HUMAN (Homo sapiens, Human), Gene ASMT, Length 298 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.3Very low75.6Confident254 Ų254112.6 Ų112.6100%1.25162%0.615SS**  0126.50-71.916714500106.6
2G46.2Very low77.4Confident34 Ų34111.8 Ų111.835%0.35161%0.608SS.*  cis-148.7123.10.900000111.4S4 R10G2-S4 PolarHBondContact O-N 2.8Å; G2-R10 PolarHBondContact O-NH2 2.73Å; G2-R10 VanDerWaalsContact O-NH2 3.15Å
3S58.1Low78.9Confident125 Ų125107.2 Ų107.287%0.87458%0.583SS**THydrogen-bonded Turntrans-81.548.1174.458.80000111.6
4S64.3Low80.2Confident112 Ų112107.4 Ų107.478%0.78358%0.583SS**THydrogen-bonded Turntrans-140.8-0175.160.40000113.4G2G2-S4 PolarHBondContact O-N 2.8Å
5E64Low81.4Confident92 Ų92111.2 Ų111.243%0.4359%0.587SS.*SBendtrans-71.8141173.5-71.6176-162.700111.4Y9 R10E5-Y9 HydrophobicContact CG-CD1 4.44Å; E5-R10 HydrophobicContact CB-CG 4.32Å; E5-R10 VanDerWaalsContact N-NH2 3.2Å; E5-R10 PolarHBondContact O-NH1 3.18Å; E5-R10 PolarHBondContact O-NH2 3.45Å; E5-R10 VanDerWaalsContact O-NH2 3.11Å
6D87.4Confident82.4Confident112 Ų112107.6 Ų107.660%0.59958%0.578SS**  trans-51.1134.6169.7177.810.3000110.1A8 Y9 R10D6-A8 PolarHBondContact O-N 3.22Å; D6-A8 PolarHBondContact OD1-N 3.18Å; D6-A8 VanDerWaalsContact OD1-N 3.16Å; D6-Y9 PolarHBondContact O-N 3.37Å; D6-Y9 VanDerWaalsContact O-N 3.07Å; D6-R10 PolarHBondContact O-N 3.33Å
7Q91.3Very high83.3Confident159 Ų159105.1 Ų105.174%0.74356%0.564SS**Hα-helixtrans-57.4-34178.9-73.6-169.9-21.600111.8Y9 R10 L11Q7-Y9 VanDerWaalsContact C-N 3.34Å; Q7-Y9 PolarHBondContact O-N 3.17Å; Q7-R10 PolarHBondContact O-N 2.76Å; Q7-L11 PolarHBondContact O-N 3.12Å
8A93.9Very high84.1Confident60 Ų60100.7 Ų100.750%0.49655%0.548SS..Hα-helixtrans-64.3-39177.100000112.1D6 L11 L12D6-A8 PolarHBondContact O-N 3.22Å; D6-A8 PolarHBondContact OD1-N 3.18Å; D6-A8 VanDerWaalsContact OD1-N 3.16Å; A8-L11 PolarHBondContact O-N 3.08Å; A8-L12 PolarHBondContact O-N 2.93Å
9Y93.4Very high84.9Confident122 Ų122101 Ų10148%0.47854%0.544SS..Hα-helixtrans-69.4-36.9178.3-171.7-112.9000112.1E5 D6 Q7 L12 N13E5-Y9 HydrophobicContact CG-CD1 4.44Å; D6-Y9 PolarHBondContact O-N 3.37Å; D6-Y9 VanDerWaalsContact O-N 3.07Å; Q7-Y9 VanDerWaalsContact C-N 3.34Å; Q7-Y9 PolarHBondContact O-N 3.17Å; Y9-L12 HydrophobicContact CD2-CD2 4.43Å; Y9-L12 PolarHBondContact O-N 3.37Å; Y9-N13 VanDerWaalsContact CE1-ND2 3.29Å; Y9-N13 WeakPolarHBondContact CE1-ND2 3.4Å; Y9-N13 PolarHBondContact O-N 2.86Å; Y9-N13 VanDerWaalsContact O-N 3.1Å; Y9-N13 PolarHBondContact O-ND2 3.4Å
10R93.8Very high85.6Confident89 Ų89100.3 Ų100.334%0.33654%0.538SS..Hα-helixtrans-61.5-47172.4-67.4-164.7-173.190.59111.5G2 E5 D6 Q7 L12 N13 D14G2-R10 PolarHBondContact O-NH2 2.73Å; G2-R10 VanDerWaalsContact O-NH2 3.15Å; E5-R10 HydrophobicContact CB-CG 4.32Å; E5-R10 VanDerWaalsContact N-NH2 3.2Å; E5-R10 PolarHBondContact O-NH1 3.18Å; E5-R10 PolarHBondContact O-NH2 3.45Å; E5-R10 VanDerWaalsContact O-NH2 3.11Å; D6-R10 PolarHBondContact O-N 3.33Å; Q7-R10 PolarHBondContact O-N 2.76Å; R10-L12 VanDerWaalsContact C-N 3.32Å; R10-L12 PolarHBondContact O-N 2.89Å; R10-N13 PolarHBondContact O-N 3.38Å; R10-N13 VanDerWaalsContact O-N 3.11Å; R10-D14 PolarHBondContact O-N 3.33Å
11L95.5Very high86.2Confident80 Ų8098.7 Ų98.742%0.41953%0.532SS..Hα-helixtrans-61.5-40.5179.1-173.662.6000112.1Q7 A8 N13 D14 Y15Q7-L11 PolarHBondContact O-N 3.12Å; A8-L11 PolarHBondContact O-N 3.08Å; L11-N13 VanDerWaalsContact C-N 3.32Å; L11-N13 PolarHBondContact O-N 3.04Å; L11-D14 PolarHBondContact O-N 3.43Å; L11-Y15 HydrophobicContact CD1-CD1 4.46Å; L11-Y15 HydrophobicContact CD1-CE1 3.71Å; L11-Y15 HydrophobicContact CD1-CE2 4.15Å; L11-Y15 HydrophobicContact CD2-CE2 4.14Å; L11-Y15 HydrophobicContact CG-CD2 4.4Å; L11-Y15 HydrophobicContact CG-CE1 4.23Å; L11-Y15 HydrophobicContact CG-CE2 3.75Å; L11-Y15 PolarHBondContact O-N 2.75Å; L11-Y15 VanDerWaalsContact O-N 3.07Å
12L97Very high88.8Confident103 Ų10388.9 Ų88.954%0.53949%0.488SS..Hα-helixtrans-59.4-43.2174.2176.762.8000111.8A8 Y9 R10 Y15 A16A8-L12 PolarHBondContact O-N 2.93Å; Y9-L12 HydrophobicContact CD2-CD2 4.43Å; Y9-L12 PolarHBondContact O-N 3.37Å; R10-L12 VanDerWaalsContact C-N 3.32Å; R10-L12 PolarHBondContact O-N 2.89Å; L12-Y15 PolarHBondContact O-N 2.74Å; L12-A16 WeakPolarHBondContact O-CB 3.16Å; L12-A16 PolarHBondContact O-N 2.94Å
13N96.7Very high91.3Very high52 Ų5290.3 Ų90.328%0.27849%0.486SS..Hα-helixtrans-67.1-38.5177-79.7-78.4000112.1Y9 R10 L11 Y15 A16 N17Y9-N13 VanDerWaalsContact CE1-ND2 3.29Å; Y9-N13 WeakPolarHBondContact CE1-ND2 3.4Å; Y9-N13 PolarHBondContact O-N 2.86Å; Y9-N13 VanDerWaalsContact O-N 3.1Å; Y9-N13 PolarHBondContact O-ND2 3.4Å; R10-N13 PolarHBondContact O-N 3.38Å; R10-N13 VanDerWaalsContact O-N 3.11Å; L11-N13 VanDerWaalsContact C-N 3.32Å; L11-N13 PolarHBondContact O-N 3.04Å; N13-Y15 VanDerWaalsContact C-N 3.3Å; N13-Y15 PolarHBondContact O-N 3.09Å; N13-A16 PolarHBondContact O-N 3.44Å; N13-N17 VanDerWaalsContact O-CB 3.24Å; N13-N17 WeakPolarHBondContact O-CB 3.34Å; N13-N17 PolarHBondContact O-N 3.35Å; N13-N17 PolarHBondContact O-ND2 2.9Å
14D97Very high93.2Very high110 Ų11085.4 Ų85.459%0.58845%0.45SS*.Hα-helixtrans-58.9-43.4174.9-71.1-15.5000110.9R10 L11 G18R10-D14 PolarHBondContact O-N 3.33Å; L11-D14 PolarHBondContact O-N 3.43Å; D14-G18 PolarHBondContact O-N 3Å; D14-G18 VanDerWaalsContact O-N 3.13Å
15Y97.9Very high94.9Very high164 Ų16482 Ų8264%0.64342%0.423SS*.Hα-helixtrans-67.9-47176.1-62.5-20.2000112.7L11 L12 N13 N17 G18L11-Y15 HydrophobicContact CD1-CD1 4.46Å; L11-Y15 HydrophobicContact CD1-CE1 3.71Å; L11-Y15 HydrophobicContact CD1-CE2 4.15Å; L11-Y15 HydrophobicContact CD2-CE2 4.14Å; L11-Y15 HydrophobicContact CG-CD2 4.4Å; L11-Y15 HydrophobicContact CG-CE1 4.23Å; L11-Y15 HydrophobicContact CG-CE2 3.75Å; L11-Y15 PolarHBondContact O-N 2.75Å; L11-Y15 VanDerWaalsContact O-N 3.07Å; L12-Y15 PolarHBondContact O-N 2.74Å; N13-Y15 VanDerWaalsContact C-N 3.3Å; N13-Y15 PolarHBondContact O-N 3.09Å; Y15-N17 PolarHBondContact O-N 3.33Å; Y15-G18 PolarHBondContact O-N 3.22Å
16A97.6Very high96.5Very high53 Ų5378.5 Ų78.544%0.43841%0.406SS..Hα-helixtrans-61.8-32.1-179.600000112.2L12 N13 F19L12-A16 WeakPolarHBondContact O-CB 3.16Å; L12-A16 PolarHBondContact O-N 2.94Å; N13-A16 PolarHBondContact O-N 3.44Å; A16-F19 WeakPolarHBondContact O-CD1 3.13Å; A16-F19 WeakPolarHBondContact O-CE1 3.15Å
17N97.3Very high97.1Very high65 Ų6574.8 Ų74.835%0.34839%0.392SS..Hα-helixtrans-93.2-3.7-179.3-63.7-35.6000113.6N13 Y15 F19 M20 V21N13-N17 VanDerWaalsContact O-CB 3.24Å; N13-N17 WeakPolarHBondContact O-CB 3.34Å; N13-N17 PolarHBondContact O-N 3.35Å; N13-N17 PolarHBondContact O-ND2 2.9Å; Y15-N17 PolarHBondContact O-N 3.33Å; N17-F19 PolarHBondContact O-N 3.44Å; N17-M20 HydrophobicContact CB-CE 3.64Å; N17-M20 VanDerWaalsContact CG-CE 3.49Å; N17-M20 WeakPolarHBondContact O-CB 2.99Å; N17-M20 PolarHBondContact O-N 3.2Å; N17-M20 WeakPolarHBondContact OD1-CE 3.44Å; N17-V21 PolarHBondContact O-N 3.27Å
18G98.4Very high97.4Very high26 Ų2667.2 Ų67.227%0.26836%0.356SS..Hα-helixtrans-56.4-36.4-17700000113.4D14 Y15 M20 V21 S22D14-G18 PolarHBondContact O-N 3Å; D14-G18 VanDerWaalsContact O-N 3.13Å; Y15-G18 PolarHBondContact O-N 3.22Å; G18-M20 VanDerWaalsContact C-N 3.27Å; G18-M20 PolarHBondContact O-N 2.93Å; G18-V21 WeakPolarHBondContact O-CB 3.35Å; G18-V21 PolarHBondContact O-N 2.86Å; G18-S22 PolarHBondContact O-N 3.44Å; G18-S22 PolarHBondContact O-OG 3.43Å
19F98.4Very high97.6Very high107 Ų10764.5 Ų64.547%0.46933%0.334SS..Hα-helixtrans-61.5-34.4177.678.2-95.3000112.8A16 N17 Q23 Y114A16-F19 WeakPolarHBondContact O-CD1 3.13Å; A16-F19 WeakPolarHBondContact O-CE1 3.15Å; N17-F19 PolarHBondContact O-N 3.44Å; F19-Q23 WeakPolarHBondContact O-CG 3.46Å; F19-Q23 PolarHBondContact O-N 3.12Å; F19-Y114 HydrophobicContact CB-CE2 4.02Å; F19-Y114 WeakPolarHBondContact CD2-OH 3.44Å
20M98.7Very high97.9Very high87 Ų8763.6 Ų63.643%0.42933%0.333SS..Hα-helixtrans-70.3-41.4177.6-65.2-171-80.200110.7N17 G18 S22 Q23 V24N17-M20 HydrophobicContact CB-CE 3.64Å; N17-M20 VanDerWaalsContact CG-CE 3.49Å; N17-M20 WeakPolarHBondContact O-CB 2.99Å; N17-M20 PolarHBondContact O-N 3.2Å; N17-M20 WeakPolarHBondContact OD1-CE 3.44Å; G18-M20 VanDerWaalsContact C-N 3.27Å; G18-M20 PolarHBondContact O-N 2.93Å; M20-S22 VanDerWaalsContact C-N 3.34Å; M20-S22 PolarHBondContact O-N 3.4Å; M20-Q23 PolarHBondContact O-N 3.46Å; M20-V24 WeakPolarHBondContact O-CG2 3.32Å; M20-V24 PolarHBondContact O-N 3.43Å
21V98.7Very high98.1Very high67 Ų6762.8 Ų62.841%0.40634%0.335SS..Hα-helixtrans-60.6-44.6175.5175.20000110.7N17 G18 V24 L25 L70N17-V21 PolarHBondContact O-N 3.27Å; G18-V21 WeakPolarHBondContact O-CB 3.35Å; G18-V21 PolarHBondContact O-N 2.86Å; V21-V24 PolarHBondContact O-N 2.78Å; V21-L25 PolarHBondContact O-N 3.1Å; V21-L70 HydrophobicContact CG1-CD1 3.91Å; V21-L70 HydrophobicContact CG1-CD2 3.71Å; V21-L70 HydrophobicContact CG1-CG 4.48Å; V21-L70 HydrophobicContact CG2-CD2 4.28Å
22S98.6Very high98.3Very high48 Ų4859.9 Ų59.934%0.33633%0.325SS..Hα-helixtrans-60.3-46.7174.8-58.70000111.9G18 M20 V24 L25 F26G18-S22 PolarHBondContact O-N 3.44Å; G18-S22 PolarHBondContact O-OG 3.43Å; M20-S22 VanDerWaalsContact C-N 3.34Å; M20-S22 PolarHBondContact O-N 3.4Å; S22-V24 VanDerWaalsContact C-N 3.34Å; S22-V24 PolarHBondContact O-N 3.24Å; S22-L25 WeakPolarHBondContact O-CB 3.44Å; S22-L25 PolarHBondContact O-N 2.89Å; S22-F26 WeakPolarHBondContact O-CD1 3.45Å; S22-F26 VanDerWaalsContact O-CD2 3.25Å; S22-F26 WeakPolarHBondContact O-CD2 3.47Å; S22-F26 WeakPolarHBondContact O-CG 3.37Å; S22-F26 PolarHBondContact O-N 3.25Å
23Q98.8Very high98.4Very high64 Ų6455 Ų5530%0.29930%0.299SS..Hα-helixtrans-64.6-34.9179.2-78.6-67.9-16.900113.3F19 M20 F26 A27 Y114F19-Q23 WeakPolarHBondContact O-CG 3.46Å; F19-Q23 PolarHBondContact O-N 3.12Å; M20-Q23 PolarHBondContact O-N 3.46Å; Q23-F26 PolarHBondContact O-N 2.66Å; Q23-A27 WeakPolarHBondContact O-CB 3.37Å; Q23-A27 PolarHBondContact O-N 3.44Å; Q23-Y114 HydrophobicContact CG-CD2 4.25Å; Q23-Y114 HydrophobicContact CG-CE1 4.27Å; Q23-Y114 HydrophobicContact CG-CE2 3.64Å; Q23-Y114 VanDerWaalsContact NE2-CE1 3.27Å
24V98.9Very high98.5Very high22 Ų2252.6 Ų52.613%0.13329%0.287CS..Hα-helixtrans-60.3-46.9171.8162.40000111M20 V21 S22 A28 L63 I66 L70M20-V24 WeakPolarHBondContact O-CG2 3.32Å; M20-V24 PolarHBondContact O-N 3.43Å; V21-V24 PolarHBondContact O-N 2.78Å; S22-V24 VanDerWaalsContact C-N 3.34Å; S22-V24 PolarHBondContact O-N 3.24Å; V24-A28 VanDerWaalsContact O-CB 3.31Å; V24-A28 WeakPolarHBondContact O-CB 3.25Å; V24-A28 PolarHBondContact O-N 3.38Å; V24-L63 HydrophobicContact CB-CD1 4.29Å; V24-L63 HydrophobicContact CG1-CD1 3.83Å; V24-L63 HydrophobicContact CG2-CD1 4.31Å; V24-I66 HydrophobicContact CB-CG2 4.45Å; V24-I66 HydrophobicContact CG1-CB 4.35Å; V24-I66 HydrophobicContact CG1-CG2 3.89Å; V24-I66 HydrophobicContact CG2-CD1 4.28Å; V24-I66 HydrophobicContact CG2-CG2 4.11Å; V24-L70 HydrophobicContact CG1-CD1 4.02Å
25L98.8Very high98.5Very high39 Ų3948.8 Ų48.820%0.20427%0.266CS..Hα-helixtrans-61.9-45.5177176.261.6000111.7V21 S22 A28 C29 L72 L94 L106V21-L25 PolarHBondContact O-N 3.1Å; S22-L25 WeakPolarHBondContact O-CB 3.44Å; S22-L25 PolarHBondContact O-N 2.89Å; L25-A28 PolarHBondContact O-N 3.06Å; L25-C29 PolarHBondContact O-N 3.17Å; L25-C29 VanDerWaalsContact O-N 3.11Å; L25-C29 PolarHBondContact O-SG 3.37Å; L25-L72 HydrophobicContact CD1-CD1 3.94Å; L25-L94 HydrophobicContact CD1-CD1 3.8Å; L25-L94 HydrophobicContact CD1-CD2 4.08Å; L25-L106 HydrophobicContact CD1-CD1 4.15Å; L25-L106 HydrophobicContact CD2-CD1 4.1Å; L25-L106 HydrophobicContact CD2-CD2 3.74Å; L25-L106 HydrophobicContact CG-CD1 4.09Å; L25-L106 HydrophobicContact CG-CD2 4.28Å
26F98.8Very high98.6Very high19 Ų1943 Ų438%0.08325%0.246CC..Hα-helixtrans-64-46.8179.5-56.5-25.9000111.8S22 Q23 A28 C29 E30 L106 M109 Y114S22-F26 WeakPolarHBondContact O-CD1 3.45Å; S22-F26 VanDerWaalsContact O-CD2 3.25Å; S22-F26 WeakPolarHBondContact O-CD2 3.47Å; S22-F26 WeakPolarHBondContact O-CG 3.37Å; S22-F26 PolarHBondContact O-N 3.25Å; Q23-F26 PolarHBondContact O-N 2.66Å; F26-A28 PolarHBondContact O-N 3.03Å; F26-C29 WeakPolarHBondContact O-CB 3.39Å; F26-C29 PolarHBondContact O-N 2.77Å; F26-E30 WeakPolarHBondContact O-CB 3.35Å; F26-E30 PolarHBondContact O-N 2.93Å; F26-L106 HydrophobicContact CD1-CB 4.13Å; F26-L106 HydrophobicContact CD1-CD2 4.22Å; F26-L106 VanDerWaalsContact CD1-O 3.27Å; F26-L106 WeakPolarHBondContact CD1-O 3.33Å; F26-L106 HydrophobicContact CE1-CB 4.44Å; F26-L106 HydrophobicContact CE1-CD2 3.85Å; F26-M109 HydrophobicContact CE1-CB 4.04Å; F26-M109 HydrophobicContact CZ-CB 3.87Å; F26-Y114 HydrophobicContact CE2-CD2 4.14Å
27A98.8Very high98.6Very high35 Ų3541.1 Ų41.129%0.28923%0.229SC..Hα-helixtrans-64.2-40.4178.900000112.1Q23 C29 E30 L31Q23-A27 WeakPolarHBondContact O-CB 3.37Å; Q23-A27 PolarHBondContact O-N 3.44Å; A27-C29 VanDerWaalsContact C-N 3.32Å; A27-C29 PolarHBondContact O-N 3.35Å; A27-E30 PolarHBondContact O-N 3Å; A27-L31 VanDerWaalsContact O-CB 3.31Å; A27-L31 WeakPolarHBondContact O-CB 3.47Å; A27-L31 VanDerWaalsContact O-CG 3.3Å; A27-L31 WeakPolarHBondContact O-CG 3.33Å; A27-L31 PolarHBondContact O-N 3.38Å
28A98.8Very high98.7Very high0 Ų040.5 Ų40.50%023%0.233CC..Hα-helixtrans-62.9-38.3175.700000112.3V24 L25 F26 G32 V33 F34 L63V24-A28 VanDerWaalsContact O-CB 3.31Å; V24-A28 WeakPolarHBondContact O-CB 3.25Å; V24-A28 PolarHBondContact O-N 3.38Å; L25-A28 PolarHBondContact O-N 3.06Å; F26-A28 PolarHBondContact O-N 3.03Å; A28-G32 PolarHBondContact O-N 2.82Å; A28-V33 HydrophobicContact CB-CG2 4.48Å; A28-V33 PolarHBondContact O-N 2.72Å; A28-V33 VanDerWaalsContact O-N 3.11Å; A28-F34 HydrophobicContact CB-CE2 3.64Å; A28-F34 HydrophobicContact CB-CZ 3.65Å; A28-L63 HydrophobicContact CB-CD2 4.3Å
29C98.6Very high98.7Very high3 Ų346.8 Ų46.82%0.0226%0.255CS..Hα-helixtrans-67.3-44172.6-66.60000111.8L25 F26 A27 G32 K107L25-C29 PolarHBondContact O-N 3.17Å; L25-C29 VanDerWaalsContact O-N 3.11Å; L25-C29 PolarHBondContact O-SG 3.37Å; F26-C29 WeakPolarHBondContact O-CB 3.39Å; F26-C29 PolarHBondContact O-N 2.77Å; A27-C29 VanDerWaalsContact C-N 3.32Å; A27-C29 PolarHBondContact O-N 3.35Å; C29-G32 PolarHBondContact O-N 2.9Å; C29-K107 VanDerWaalsContact C-CE 3.45Å; C29-K107 HydrophobicContact CB-CG 4.26Å; C29-K107 WeakPolarHBondContact O-CE 3.41Å; C29-K107 PolarHBondContact O-NZ 3.04Å
30E98.4Very high98.7Very high102 Ų10242.8 Ų42.848%0.47724%0.242SC..Hα-helixtrans-65.1-41.1-179.4178.4145.2-171.400112.6F26 A27 G32 R111F26-E30 WeakPolarHBondContact O-CB 3.35Å; F26-E30 PolarHBondContact O-N 2.93Å; A27-E30 PolarHBondContact O-N 3Å; E30-G32 PolarHBondContact O-N 3.05Å; E30-R111 IonicContact OE1-CZ 2.66Å; E30-R111 IonicContact OE1-NE 3.26Å; E30-R111 IonicContact OE1-NH2 2.75Å; E30-R111 PolarHBondContact OE1-NH2 3.46Å; E30-R111 IonicContact OE2-CZ 3.93Å; E30-R111 IonicContact OE2-NE 3.48Å; E30-R111 PolarHBondContact OE2-NE 3.05Å; E30-R111 IonicContact OE2-NH2 2.75Å; E30-R111 PolarHBondContact OE2-NH2 2.85Å
31L98.8Very high98.6Very high72 Ų7245.7 Ų45.738%0.37727%0.267SS..Hα-helixtrans-72.7-13.7176.3-71.5168.6000113.3A27 V33 V53 L63A27-L31 VanDerWaalsContact O-CB 3.31Å; A27-L31 WeakPolarHBondContact O-CB 3.47Å; A27-L31 VanDerWaalsContact O-CG 3.3Å; A27-L31 WeakPolarHBondContact O-CG 3.33Å; A27-L31 PolarHBondContact O-N 3.38Å; L31-V33 HydrophobicContact CB-CG2 4.12Å; L31-V53 HydrophobicContact CB-CB 4.24Å; L31-V53 WeakPolarHBondContact O-CB 3.33Å; L31-V53 VanDerWaalsContact O-CG1 3.29Å; L31-V53 WeakPolarHBondContact O-CG1 3.28Å; L31-L63 HydrophobicContact CD1-CD2 3.75Å
32G98.7Very high98.5Very high19 Ų1944 Ų4420%0.19626%0.264CS..THydrogen-bonded Turntrans72.930.4-179.200000113.5A28 C29 E30 F34 D35 L36A28-G32 PolarHBondContact O-N 2.82Å; C29-G32 PolarHBondContact O-N 2.9Å; E30-G32 PolarHBondContact O-N 3.05Å; G32-F34 VanDerWaalsContact C-N 3.35Å; G32-F34 PolarHBondContact O-N 2.83Å; G32-D35 PolarHBondContact O-N 2.87Å; G32-L36 WeakPolarHBondContact O-CB 3.4Å; G32-L36 PolarHBondContact O-N 2.81Å; G32-L36 VanDerWaalsContact O-N 3.07Å
33V98.9Very high98.5Very high1 Ų143.1 Ų43.11%0.00626%0.257CS..Hα-helixtrans-59.3-46.4-178.2172.90000111.3A28 L31 L36 L37 V49 V53 L63 L64 L73A28-V33 HydrophobicContact CB-CG2 4.48Å; A28-V33 PolarHBondContact O-N 2.72Å; A28-V33 VanDerWaalsContact O-N 3.11Å; L31-V33 HydrophobicContact CB-CG2 4.12Å; V33-L36 PolarHBondContact O-N 3.23Å; V33-L37 HydrophobicContact CG1-CD1 3.98Å; V33-L37 WeakPolarHBondContact O-CG 3.41Å; V33-L37 PolarHBondContact O-N 3.3Å; V33-V49 HydrophobicContact CG1-CG1 4.47Å; V33-V53 HydrophobicContact CG2-CG1 4.16Å; V33-L63 HydrophobicContact CG2-CD2 4.23Å; V33-L64 HydrophobicContact CG1-CD2 3.73Å; V33-L73 HydrophobicContact CG1-CD1 4.42Å
34F98.9Very high98.5Very high2 Ų241.6 Ų41.61%0.00925%0.25CS..Hα-helixtrans-70.2-37.4-175-52.4-64.9000112.5A28 G32 L37 A38 L72 L73 N86 L94 T95A28-F34 HydrophobicContact CB-CE2 3.64Å; A28-F34 HydrophobicContact CB-CZ 3.65Å; G32-F34 VanDerWaalsContact C-N 3.35Å; G32-F34 PolarHBondContact O-N 2.83Å; F34-L37 PolarHBondContact O-N 3.41Å; F34-A38 WeakPolarHBondContact O-CB 3.32Å; F34-A38 PolarHBondContact O-N 2.98Å; F34-L72 HydrophobicContact CE1-CB 4.42Å; F34-L73 HydrophobicContact CD1-CD2 3.92Å; F34-L73 HydrophobicContact CE1-CD2 3.93Å; F34-L73 HydrophobicContact CE1-CG 4.26Å; F34-N86 PolarHBondContact O-ND2 2.88Å; F34-L94 HydrophobicContact CB-CB 4.27Å; F34-L94 WeakPolarHBondContact CB-O 3.39Å; F34-L94 HydrophobicContact CD1-CB 4.36Å; F34-L94 HydrophobicContact CD2-CB 3.6Å; F34-L94 HydrophobicContact CD2-CD1 4.28Å; F34-L94 HydrophobicContact CE1-CD1 4.07Å; F34-L94 HydrophobicContact CE2-CB 3.97Å; F34-L94 HydrophobicContact CE2-CD1 3.81Å; F34-L94 HydrophobicContact CE2-CG 4.43Å; F34-L94 HydrophobicContact CG-CB 3.81Å; F34-L94 HydrophobicContact CZ-CD1 3.7Å; F34-T95 HydrophobicContact CB-CG2 4.33Å
35D98.8Very high98.4Very high30 Ų3041.9 Ų41.916%0.1625%0.251CS..Hα-helixtrans-64.1-48.2174.5-72.6-39.5000110.7G32 L37 A38 E39 T95 T96G32-D35 PolarHBondContact O-N 2.87Å; D35-L37 VanDerWaalsContact C-N 3.27Å; D35-L37 PolarHBondContact O-N 3.33Å; D35-A38 PolarHBondContact O-N 3.38Å; D35-E39 WeakPolarHBondContact O-CG 3.39Å; D35-E39 PolarHBondContact O-N 3.43Å; D35-T95 WeakPolarHBondContact OD1-CA 3.43Å; D35-T96 WeakPolarHBondContact OD1-CB 3.42Å; D35-T96 PolarHBondContact OD1-N 2.87Å; D35-T96 PolarHBondContact OD1-OG1 3.04Å; D35-T96 PolarHBondContact OD2-OG1 2.74Å
36L98.8Very high98.4Very high43 Ų4341.1 Ų41.123%0.22525%0.248CC..Hα-helixtrans-57-41.5176.7179.766.7000112.1G32 V33 A38 A40 L44 V49 V53G32-L36 WeakPolarHBondContact O-CB 3.4Å; G32-L36 PolarHBondContact O-N 2.81Å; G32-L36 VanDerWaalsContact O-N 3.07Å; V33-L36 PolarHBondContact O-N 3.23Å; L36-A38 VanDerWaalsContact C-N 3.34Å; L36-A40 WeakPolarHBondContact O-CB 3.45Å; L36-A40 PolarHBondContact O-N 2.63Å; L36-L44 HydrophobicContact CD2-CD1 4.21Å; L36-L44 HydrophobicContact CG-CD1 3.9Å; L36-V49 HydrophobicContact CD2-CG1 4.3Å; L36-V53 HydrophobicContact CD2-CG1 3.79Å
37L98.8Very high98.4Very high13 Ų1343.3 Ų43.37%0.06827%0.27CS..Hα-helixtrans-70.3-28.3177.1-72172.6000113.2V33 F34 D35 L44 V49 L73 Y84V33-L37 HydrophobicContact CG1-CD1 3.98Å; V33-L37 WeakPolarHBondContact O-CG 3.41Å; V33-L37 PolarHBondContact O-N 3.3Å; F34-L37 PolarHBondContact O-N 3.41Å; D35-L37 VanDerWaalsContact C-N 3.27Å; D35-L37 PolarHBondContact O-N 3.33Å; L37-L44 HydrophobicContact CD2-CB 3.93Å; L37-L44 HydrophobicContact CD2-CD1 4.1Å; L37-L44 HydrophobicContact CD2-CG 4.07Å; L37-V49 HydrophobicContact CD2-CG2 4.23Å; L37-L73 HydrophobicContact CD1-CD1 4.05Å; L37-L73 HydrophobicContact CD1-CD2 3.55Å; L37-L73 HydrophobicContact CD1-CG 4.47Å; L37-Y84 WeakPolarHBondContact CD2-O 3.33Å
38A98.6Very high98.4Very high52 Ų5243.5 Ų43.543%0.4327%0.271SS..Hα-helixtrans-78.8-35.1177.800000112.4F34 D35 L36 T95F34-A38 WeakPolarHBondContact O-CB 3.32Å; F34-A38 PolarHBondContact O-N 2.98Å; D35-A38 PolarHBondContact O-N 3.38Å; L36-A38 VanDerWaalsContact C-N 3.34Å; A38-T95 HydrophobicContact CB-CG2 3.84Å
39E98.4Very high98.4Very high158 Ų15843.5 Ų43.574%0.73827%0.271SS*.Hα-helixtrans-78.6-22.4178.7-68.5178172.700112.9D35D35-E39 WeakPolarHBondContact O-CG 3.39Å; D35-E39 PolarHBondContact O-N 3.43Å
40A98.1Very high98.4Very high23 Ų2343.8 Ų43.819%0.1927%0.273CS..SBendtrans-66.6143.6179.100000112.2L36 G42 L44L36-A40 WeakPolarHBondContact O-CB 3.45Å; L36-A40 PolarHBondContact O-N 2.63Å; A40-G42 WeakPolarHBondContact CB-O 3.45Å; A40-G42 PolarHBondContact O-N 2.95Å; A40-L44 HydrophobicContact CB-CD1 3.93Å; A40-L44 HydrophobicContact CB-CD2 3.81Å; A40-L44 HydrophobicContact CB-CG 3.83Å
41P96.5Very high98.4Very high147 Ų14742.5 Ų42.596%0.95528%0.28SS*.SBendtrans-68.6-5.717829.4-36.2000113.7
42G96.4Very high98.4Very high33 Ų3340.6 Ų40.634%0.3428%0.278SS..SBendtrans-173.9-177.3-17800000111.3A40A40-G42 WeakPolarHBondContact CB-O 3.45Å; A40-G42 PolarHBondContact O-N 2.95Å
43P98.2Very high98.4Very high29 Ų2940.2 Ų40.219%0.18827%0.272CS..  trans-67.5145.6-178.234.6-39.7000110.7E76 F83 Y84 R85P43-E76 WeakPolarHBondContact CG-OE1 3.29Å; P43-F83 HydrophobicContact CB-CB 3.96Å; P43-F83 HydrophobicContact CG-CB 4.13Å; P43-F83 WeakPolarHBondContact O-CD1 3.31Å; P43-Y84 CarbonylContact C-O 3.59Å; P43-Y84 WeakPolarHBondContact CA-O 3.48Å; P43-Y84 VanDerWaalsContact CB-O 3.27Å; P43-Y84 WeakPolarHBondContact CB-O 3.35Å; P43-R85 HydrophobicContact CB-CB 4.21Å
44L98.7Very high98.4Very high31 Ų3150.5 Ų50.516%0.16231%0.311CS..BIsolated β-bridgetrans-107145.8-174.8-63.3-176.2000111.5L36 L37 A40 A48 V49 F83 Y84L36-L44 HydrophobicContact CD2-CD1 4.21Å; L36-L44 HydrophobicContact CG-CD1 3.9Å; L37-L44 HydrophobicContact CD2-CB 3.93Å; L37-L44 HydrophobicContact CD2-CD1 4.1Å; L37-L44 HydrophobicContact CD2-CG 4.07Å; A40-L44 HydrophobicContact CB-CD1 3.93Å; A40-L44 HydrophobicContact CB-CD2 3.81Å; A40-L44 HydrophobicContact CB-CG 3.83Å; L44-A48 HydrophobicContact CB-CB 4.14Å; L44-A48 HydrophobicContact CD2-CB 4.15Å; L44-V49 HydrophobicContact CB-CG2 3.72Å; L44-V49 HydrophobicContact CD1-CG2 4.19Å; L44-F83 CarbonylContact O-C 3.41Å; L44-F83 WeakPolarHBondContact O-CA 3.3Å; L44-Y84 PolarHBondContact N-O 3.44Å; L44-Y84 VanDerWaalsContact N-O 3.08Å; L44-Y84 WeakPolarHBondContact O-CD2 3.34Å; L44-Y84 PolarHBondContact O-N 3.01Å
45D98.6Very high98.4Very high28 Ų2852.3 Ų52.315%0.1533%0.326CS..  trans-83.7170.1169.172.511.3000111.6A47 A48 V49 K81 A82 F83D45-A47 PolarHBondContact O-N 2.79Å; D45-A47 PolarHBondContact OD1-N 3.37Å; D45-A48 PolarHBondContact O-N 2.9Å; D45-A48 WeakPolarHBondContact OD1-CB 3.47Å; D45-A48 PolarHBondContact OD1-N 2.65Å; D45-V49 PolarHBondContact O-N 2.85Å; D45-K81 IonicContact OD2-NZ 3.4Å; D45-K81 PolarHBondContact OD2-NZ 3.36Å; D45-A82 WeakPolarHBondContact CA-O 3.31Å; D45-A82 WeakPolarHBondContact CB-O 3.5Å; D45-F83 HydrophobicContact CB-CD1 4.12Å; D45-F83 HydrophobicContact CB-CE1 3.95Å; D45-F83 HydrophobicContact CB-CZ 4.36Å
46V98.6Very high98.4Very high24 Ų2454.5 Ų54.515%0.14534%0.343CS..Hα-helixtrans-53.2-43-178.5176.50000111.9V49 A50 T60 E61 Y84V46-V49 PolarHBondContact O-N 3.07Å; V46-A50 VanDerWaalsContact O-CB 3.24Å; V46-A50 WeakPolarHBondContact O-CB 3.36Å; V46-A50 PolarHBondContact O-N 3.12Å; V46-T60 HydrophobicContact CG1-CG2 4.48Å; V46-E61 HydrophobicContact CG1-CB 3.86Å; V46-E61 HydrophobicContact CG2-CB 4.25Å; V46-E61 HydrophobicContact CG2-CG 4.17Å; V46-Y84 HydrophobicContact CG2-CE2 3.68Å
47A98.3Very high98.3Very high65 Ų6555.4 Ų55.454%0.53736%0.358SS..Hα-helixtrans-66.7-41.7-176.600000111.5D45 A51D45-A47 PolarHBondContact O-N 2.79Å; D45-A47 PolarHBondContact OD1-N 3.37Å; A47-A51 WeakPolarHBondContact O-CB 3.4Å; A47-A51 PolarHBondContact O-N 2.93Å
48A98.6Very high98.3Very high39 Ų3961 Ų6132%0.32238%0.383SS..Hα-helixtrans-64.1-43.7175.700000112L44 D45 G52L44-A48 HydrophobicContact CB-CB 4.14Å; L44-A48 HydrophobicContact CD2-CB 4.15Å; D45-A48 PolarHBondContact O-N 2.9Å; D45-A48 WeakPolarHBondContact OD1-CB 3.47Å; D45-A48 PolarHBondContact OD1-N 2.65Å; A48-G52 PolarHBondContact O-N 3.37Å
49V98.8Very high98.3Very high0 Ų060 Ų600%038%0.378CS..Hα-helixtrans-64.2-49.6176.5178.80000110.7V33 L36 L37 L44 D45 V46 A51 G52 V53 T60 L64V33-V49 HydrophobicContact CG1-CG1 4.47Å; L36-V49 HydrophobicContact CD2-CG1 4.3Å; L37-V49 HydrophobicContact CD2-CG2 4.23Å; L44-V49 HydrophobicContact CB-CG2 3.72Å; L44-V49 HydrophobicContact CD1-CG2 4.19Å; D45-V49 PolarHBondContact O-N 2.85Å; V46-V49 PolarHBondContact O-N 3.07Å; V49-A51 VanDerWaalsContact C-N 3.27Å; V49-A51 PolarHBondContact O-N 3.27Å; V49-G52 PolarHBondContact O-N 3.02Å; V49-V53 HydrophobicContact CG1-CG1 4.31Å; V49-V53 HydrophobicContact CG1-CG2 4.5Å; V49-V53 WeakPolarHBondContact O-CG2 3.32Å; V49-V53 PolarHBondContact O-N 3.2Å; V49-T60 HydrophobicContact CB-CG2 3.99Å; V49-T60 HydrophobicContact CG1-CG2 3.7Å; V49-L64 HydrophobicContact CB-CD1 4.01Å; V49-L64 HydrophobicContact CG1-CD1 4.07Å; V49-L64 HydrophobicContact CG1-CD2 4.26Å; V49-L64 HydrophobicContact CG2-CD1 4.04Å
50A98.8Very high98.3Very high8 Ų852.8 Ų52.87%0.06634%0.344CS..Hα-helixtrans-57.9-41.1-178.200000111.7V46 R54 A55 T60V46-A50 VanDerWaalsContact O-CB 3.24Å; V46-A50 WeakPolarHBondContact O-CB 3.36Å; V46-A50 PolarHBondContact O-N 3.12Å; A50-R54 WeakPolarHBondContact O-CA 3.38Å; A50-R54 PolarHBondContact O-N 3.41Å; A50-A55 PolarHBondContact O-N 3.4Å; A50-T60 HydrophobicContact CB-CG2 4.02Å; A50-T60 WeakPolarHBondContact CB-OG1 3.22Å
51A98.7Very high98.4Very high75 Ų7555.9 Ų55.962%0.6236%0.355SS*.Hα-helixtrans-65-46174.600000112.2A47 V49 R54A47-A51 WeakPolarHBondContact O-CB 3.4Å; A47-A51 PolarHBondContact O-N 2.93Å; V49-A51 VanDerWaalsContact C-N 3.27Å; V49-A51 PolarHBondContact O-N 3.27Å; A51-R54 PolarHBondContact O-N 3.48Å
52G98.6Very high98.5Very high32 Ų3253.1 Ų53.133%0.3333%0.332SS..Hα-helixtrans-65.2-41.7-178.400000113.6A48 V49 R54A48-G52 PolarHBondContact O-N 3.37Å; V49-G52 PolarHBondContact O-N 3.02Å; G52-R54 VanDerWaalsContact C-N 3.34Å
53V98.5Very high98.6Very high12 Ų1252.7 Ų52.77%0.07332%0.322CS..Hα-helixtrans-88.90.1178.2-50.60000113.7L31 V33 L36 V49 A55L31-V53 HydrophobicContact CB-CB 4.24Å; L31-V53 WeakPolarHBondContact O-CB 3.33Å; L31-V53 VanDerWaalsContact O-CG1 3.29Å; L31-V53 WeakPolarHBondContact O-CG1 3.28Å; V33-V53 HydrophobicContact CG2-CG1 4.16Å; L36-V53 HydrophobicContact CD2-CG1 3.79Å; V49-V53 HydrophobicContact CG1-CG1 4.31Å; V49-V53 HydrophobicContact CG1-CG2 4.5Å; V49-V53 WeakPolarHBondContact O-CG2 3.32Å; V49-V53 PolarHBondContact O-N 3.2Å; V53-A55 HydrophobicContact CG2-CB 3.76Å
54R98.6Very high98.6Very high217 Ų21751.3 Ų51.382%0.81931%0.313SS*.THydrogen-bonded Turntrans55.750.2-179.4-58.4176.8-66.6-77.7-0.6113.1A50 A51 G52A50-R54 WeakPolarHBondContact O-CA 3.38Å; A50-R54 PolarHBondContact O-N 3.41Å; A51-R54 PolarHBondContact O-N 3.48Å; G52-R54 VanDerWaalsContact C-N 3.34Å
55A98.5Very high98.6Very high39 Ų3953.1 Ų53.132%0.32232%0.322SS..  trans-121.6169.418000000112.4A50 V53A50-A55 PolarHBondContact O-N 3.4Å; V53-A55 HydrophobicContact CG2-CB 3.76Å
56S98.6Very high98.6Very high76 Ų7655.2 Ų55.253%0.53133%0.333SS..  trans-67.9146.9174.574.80000111.3H58 G59 T60S56-H58 PolarHBondContact O-N 3.17Å; S56-G59 PolarHBondContact OG-N 3.29Å; S56-G59 VanDerWaalsContact OG-N 3.12Å; S56-T60 WeakPolarHBondContact O-CB 3.04Å; S56-T60 PolarHBondContact O-N 2.95Å; S56-T60 PolarHBondContact O-OG1 2.84Å
57A97.9Very high98.6Very high63 Ų6354.1 Ų54.152%0.52133%0.326SS..Hα-helixtrans-59-48.8177.800000111.9T60 E61A57-T60 PolarHBondContact O-N 3.04Å; A57-E61 PolarHBondContact O-N 3.41Å
58H98.5Very high98.7Very high130 Ų13052.8 Ų52.860%0.60231%0.311SS*.Hα-helixtrans-63-46.1-178.5-177.352.3000112.8S56 T60 E61 L62S56-H58 PolarHBondContact O-N 3.17Å; H58-T60 VanDerWaalsContact C-N 3.32Å; H58-T60 PolarHBondContact O-N 3.17Å; H58-E61 PolarHBondContact O-N 3.08Å; H58-L62 WeakPolarHBondContact O-CG 3.47Å; H58-L62 PolarHBondContact O-N 3.5Å; H58-L62 VanDerWaalsContact O-N 3.13Å
59G98.8Very high98.7Very high32 Ų3255.3 Ų55.333%0.3333%0.327SS..Hα-helixtrans-65.3-36.3177.700000112.7S56 L63S56-G59 PolarHBondContact OG-N 3.29Å; S56-G59 VanDerWaalsContact OG-N 3.12Å; G59-L63 WeakPolarHBondContact O-CB 3.45Å; G59-L63 PolarHBondContact O-N 3.49Å
60T98.9Very high98.7Very high5 Ų558 Ų583%0.03134%0.341CS..Hα-helixtrans-66.4-44.5177.2-560000111.4V46 V49 A50 S56 A57 H58 L63 L64V46-T60 HydrophobicContact CG1-CG2 4.48Å; V49-T60 HydrophobicContact CB-CG2 3.99Å; V49-T60 HydrophobicContact CG1-CG2 3.7Å; A50-T60 HydrophobicContact CB-CG2 4.02Å; A50-T60 WeakPolarHBondContact CB-OG1 3.22Å; S56-T60 WeakPolarHBondContact O-CB 3.04Å; S56-T60 PolarHBondContact O-N 2.95Å; S56-T60 PolarHBondContact O-OG1 2.84Å; A57-T60 PolarHBondContact O-N 3.04Å; H58-T60 VanDerWaalsContact C-N 3.32Å; H58-T60 PolarHBondContact O-N 3.17Å; T60-L63 PolarHBondContact O-N 3.49Å; T60-L64 HydrophobicContact CG2-CD1 3.74Å; T60-L64 HydrophobicContact CG2-CG 4.14Å; T60-L64 WeakPolarHBondContact O-CB 3.22Å; T60-L64 VanDerWaalsContact O-CG 3.22Å; T60-L64 WeakPolarHBondContact O-CG 3.07Å; T60-L64 PolarHBondContact O-N 3.33Å
61E98.7Very high98.7Very high89 Ų8965.4 Ų65.442%0.41637%0.372SS..Hα-helixtrans-57.1-51.6175.9-172.6172.2-13200111.3V46 A57 H58 L63 L64 D65V46-E61 HydrophobicContact CG1-CB 3.86Å; V46-E61 HydrophobicContact CG2-CB 4.25Å; V46-E61 HydrophobicContact CG2-CG 4.17Å; A57-E61 PolarHBondContact O-N 3.41Å; H58-E61 PolarHBondContact O-N 3.08Å; E61-L63 VanDerWaalsContact C-N 3.33Å; E61-L63 PolarHBondContact O-N 3.28Å; E61-L64 PolarHBondContact O-N 3.35Å; E61-D65 WeakPolarHBondContact O-CB 3.43Å; E61-D65 PolarHBondContact O-N 3.42Å
62L98.8Very high98.7Very high89 Ų8962.6 Ų62.647%0.46635%0.346SS..Hα-helixtrans-56.6-46177-69.7175000112H58 I66H58-L62 WeakPolarHBondContact O-CG 3.47Å; H58-L62 PolarHBondContact O-N 3.5Å; H58-L62 VanDerWaalsContact O-N 3.13Å; L62-I66 WeakPolarHBondContact O-CD1 3.22Å; L62-I66 WeakPolarHBondContact O-CG1 3.49Å; L62-I66 PolarHBondContact O-N 3.46Å
63L98.9Very high98.7Very high23 Ų2361.3 Ų61.312%0.1233%0.331CS..Hα-helixtrans-62.8-47.6-179.7-173.170.8000111.6V24 A28 L31 V33 G59 T60 E61 I66 C67V24-L63 HydrophobicContact CB-CD1 4.29Å; V24-L63 HydrophobicContact CG1-CD1 3.83Å; V24-L63 HydrophobicContact CG2-CD1 4.31Å; A28-L63 HydrophobicContact CB-CD2 4.3Å; L31-L63 HydrophobicContact CD1-CD2 3.75Å; V33-L63 HydrophobicContact CG2-CD2 4.23Å; G59-L63 WeakPolarHBondContact O-CB 3.45Å; G59-L63 PolarHBondContact O-N 3.49Å; T60-L63 PolarHBondContact O-N 3.49Å; E61-L63 VanDerWaalsContact C-N 3.33Å; E61-L63 PolarHBondContact O-N 3.28Å; L63-I66 PolarHBondContact O-N 3.3Å; L63-C67 WeakPolarHBondContact O-CB 3.34Å; L63-C67 PolarHBondContact O-N 3.27Å; L63-C67 PolarHBondContact O-SG 3.22Å; L63-C67 VanDerWaalsContact O-SG 3.33Å
64L98.9Very high98.7Very high1 Ų164.8 Ų64.81%0.00535%0.346CS..Hα-helixtrans-64.2-43.7-179.3-70.1174.7000111.8V33 V49 T60 E61 I66 C67 V68 L73 Y84V33-L64 HydrophobicContact CG1-CD2 3.73Å; V49-L64 HydrophobicContact CB-CD1 4.01Å; V49-L64 HydrophobicContact CG1-CD1 4.07Å; V49-L64 HydrophobicContact CG1-CD2 4.26Å; V49-L64 HydrophobicContact CG2-CD1 4.04Å; T60-L64 HydrophobicContact CG2-CD1 3.74Å; T60-L64 HydrophobicContact CG2-CG 4.14Å; T60-L64 WeakPolarHBondContact O-CB 3.22Å; T60-L64 VanDerWaalsContact O-CG 3.22Å; T60-L64 WeakPolarHBondContact O-CG 3.07Å; T60-L64 PolarHBondContact O-N 3.33Å; E61-L64 PolarHBondContact O-N 3.35Å; L64-I66 PolarHBondContact O-N 3Å; L64-C67 WeakPolarHBondContact O-CB 3.13Å; L64-C67 PolarHBondContact O-N 2.99Å; L64-V68 WeakPolarHBondContact O-CG2 3.43Å; L64-V68 PolarHBondContact O-N 2.87Å; L64-L73 HydrophobicContact CD2-CD1 3.53Å; L64-Y84 HydrophobicContact CB-CD1 3.88Å; L64-Y84 HydrophobicContact CB-CE1 3.61Å; L64-Y84 HydrophobicContact CB-CE2 4.36Å; L64-Y84 HydrophobicContact CB-CG 4.35Å; L64-Y84 HydrophobicContact CD1-CD2 3.8Å; L64-Y84 HydrophobicContact CD1-CE2 3.84Å; L64-Y84 HydrophobicContact CD1-CG 4.15Å; L64-Y84 HydrophobicContact CD2-CG 4.49Å
65D98.8Very high98.7Very high68 Ų6857.5 Ų57.536%0.36433%0.325SS..Hα-helixtrans-66.9-37-180-73.1-9.9000112.2E61 V68 S69 Y84E61-D65 WeakPolarHBondContact O-CB 3.43Å; E61-D65 PolarHBondContact O-N 3.42Å; D65-V68 PolarHBondContact O-N 3.05Å; D65-S69 PolarHBondContact O-N 2.92Å; D65-S69 PolarHBondContact O-OG 2.82Å; D65-Y84 WeakPolarHBondContact OD1-CE1 3.44Å; D65-Y84 PolarHBondContact OD1-OH 3.17Å
66I98.8Very high98.6Very high73 Ų7358.1 Ų58.137%0.37432%0.321SS..Hα-helixtrans-66.5-43.9171.2-62.6162.8000110V24 L62 L63 L64 V68 S69 L70V24-I66 HydrophobicContact CB-CG2 4.45Å; V24-I66 HydrophobicContact CG1-CB 4.35Å; V24-I66 HydrophobicContact CG1-CG2 3.89Å; V24-I66 HydrophobicContact CG2-CD1 4.28Å; V24-I66 HydrophobicContact CG2-CG2 4.11Å; L62-I66 WeakPolarHBondContact O-CD1 3.22Å; L62-I66 WeakPolarHBondContact O-CG1 3.49Å; L62-I66 PolarHBondContact O-N 3.46Å; L63-I66 PolarHBondContact O-N 3.3Å; L64-I66 PolarHBondContact O-N 3Å; I66-V68 VanDerWaalsContact C-N 3.25Å; I66-V68 PolarHBondContact O-N 2.73Å; I66-S69 WeakPolarHBondContact O-CA 3.36Å; I66-S69 WeakPolarHBondContact O-CB 3.42Å; I66-S69 PolarHBondContact O-N 3.47Å; I66-L70 HydrophobicContact CG2-CD1 3.82Å; I66-L70 HydrophobicContact CG2-CG 4.1Å; I66-L70 WeakPolarHBondContact O-CB 3.26Å; I66-L70 VanDerWaalsContact O-CG 3.31Å; I66-L70 WeakPolarHBondContact O-CG 3.2Å; I66-L70 PolarHBondContact O-N 2.65Å
67C98.9Very high98.5Very high1 Ų159.7 Ų59.71%0.00733%0.328CS..Hα-helixtrans-58.9-34.9175.2-76.30000112.9L63 L64 K71 L72 L73L63-C67 WeakPolarHBondContact O-CB 3.34Å; L63-C67 PolarHBondContact O-N 3.27Å; L63-C67 PolarHBondContact O-SG 3.22Å; L63-C67 VanDerWaalsContact O-SG 3.33Å; L64-C67 WeakPolarHBondContact O-CB 3.13Å; L64-C67 PolarHBondContact O-N 2.99Å; C67-K71 PolarHBondContact O-N 2.78Å; C67-L72 HydrophobicContact CB-CB 4.24Å; C67-L72 WeakPolarHBondContact O-CA 3.46Å; C67-L72 WeakPolarHBondContact O-CB 3.3Å; C67-L72 PolarHBondContact O-N 2.92Å; C67-L73 HydrophobicContact CB-CB 4.34Å; C67-L73 HydrophobicContact CB-CD1 3.72Å; C67-L73 HydrophobicContact CB-CG 3.87Å; C67-L73 PolarHBondContact O-N 3.28Å; C67-L73 VanDerWaalsContact O-N 3.16Å
68V98.8Very high98.4Very high36 Ų3662.5 Ų62.522%0.21833%0.325CS..Hα-helixtrans-65.6-46.4171.7170.70000110.7L64 D65 I66 L70 K71 L73 V75 Y84L64-V68 WeakPolarHBondContact O-CG2 3.43Å; L64-V68 PolarHBondContact O-N 2.87Å; D65-V68 PolarHBondContact O-N 3.05Å; I66-V68 VanDerWaalsContact C-N 3.25Å; I66-V68 PolarHBondContact O-N 2.73Å; V68-L70 VanDerWaalsContact C-N 3.27Å; V68-L70 PolarHBondContact O-N 2.77Å; V68-K71 WeakPolarHBondContact O-CA 3.31Å; V68-K71 PolarHBondContact O-N 3.28Å; V68-L73 HydrophobicContact CG2-CB 3.97Å; V68-V75 HydrophobicContact CG1-CB 4.3Å; V68-V75 HydrophobicContact CG1-CG1 3.77Å; V68-V75 HydrophobicContact CG2-CB 3.94Å; V68-V75 HydrophobicContact CG2-CG1 4.31Å; V68-Y84 HydrophobicContact CG2-CD1 3.74Å; V68-Y84 HydrophobicContact CG2-CE1 3.89Å
69S98.6Very high98Very high93 Ų9360.6 Ų60.665%0.6534%0.34SS*.Hα-helixtrans-62-35.1178.8-59.40000112.7D65 I66 K71D65-S69 PolarHBondContact O-N 2.92Å; D65-S69 PolarHBondContact O-OG 2.82Å; I66-S69 WeakPolarHBondContact O-CA 3.36Å; I66-S69 WeakPolarHBondContact O-CB 3.42Å; I66-S69 PolarHBondContact O-N 3.47Å; S69-K71 PolarHBondContact O-N 3.02Å
70L98.6Very high97.7Very high56 Ų5662.6 Ų62.629%0.29336%0.361SS..THydrogen-bonded Turntrans-77.9-1174.3-66.2175.5000113.7V21 V24 I66 V68 L72V21-L70 HydrophobicContact CG1-CD1 3.91Å; V21-L70 HydrophobicContact CG1-CD2 3.71Å; V21-L70 HydrophobicContact CG1-CG 4.48Å; V21-L70 HydrophobicContact CG2-CD2 4.28Å; V24-L70 HydrophobicContact CG1-CD1 4.02Å; I66-L70 HydrophobicContact CG2-CD1 3.82Å; I66-L70 HydrophobicContact CG2-CG 4.1Å; I66-L70 WeakPolarHBondContact O-CB 3.26Å; I66-L70 VanDerWaalsContact O-CG 3.31Å; I66-L70 WeakPolarHBondContact O-CG 3.2Å; I66-L70 PolarHBondContact O-N 2.65Å; V68-L70 VanDerWaalsContact C-N 3.27Å; V68-L70 PolarHBondContact O-N 2.77Å; L70-L72 HydrophobicContact CB-CD1 4.13Å; L70-L72 HydrophobicContact CB-CG 3.96Å; L70-L72 HydrophobicContact CD1-CD1 4.17Å; L70-L72 PolarHBondContact O-N 3.42Å
71K98.8Very high97.5Very high164 Ų16467.8 Ų67.871%0.71338%0.383SS*.THydrogen-bonded Turntrans60.626.6-176.4-53.5134-179.1173.70113.6C67 V68 S69C67-K71 PolarHBondContact O-N 2.78Å; V68-K71 WeakPolarHBondContact O-CA 3.31Å; V68-K71 PolarHBondContact O-N 3.28Å; S69-K71 PolarHBondContact O-N 3.02Å
72L98.8Very high97.5Very high16 Ų1665.1 Ų65.18%0.08438%0.377CS..SBendtrans-82.8-32.4170.7-57.9175.7000110.7L25 F34 C67 L70 T87 L89 S90 L94L25-L72 HydrophobicContact CD1-CD1 3.94Å; F34-L72 HydrophobicContact CE1-CB 4.42Å; C67-L72 HydrophobicContact CB-CB 4.24Å; C67-L72 WeakPolarHBondContact O-CA 3.46Å; C67-L72 WeakPolarHBondContact O-CB 3.3Å; C67-L72 PolarHBondContact O-N 2.92Å; L70-L72 HydrophobicContact CB-CD1 4.13Å; L70-L72 HydrophobicContact CB-CG 3.96Å; L70-L72 HydrophobicContact CD1-CD1 4.17Å; L70-L72 PolarHBondContact O-N 3.42Å; L72-T87 WeakPolarHBondContact O-CG2 3.44Å; L72-T87 PolarHBondContact O-OG1 3.42Å; L72-L89 HydrophobicContact CD2-CD1 4.45Å; L72-L89 HydrophobicContact CD2-CD2 3.63Å; L72-S90 VanDerWaalsContact O-CB 3.28Å; L72-S90 WeakPolarHBondContact O-CB 3.34Å; L72-S90 PolarHBondContact O-OG 2.94Å; L72-L94 HydrophobicContact CD2-CD1 4.16Å
73L98.9Very high97.5Very high4 Ų462.9 Ų62.92%0.02136%0.363CS..EExtended strand (participates in β ladder)trans-123.7158.5176.8-64.1179.6000111.4V33 F34 L37 L64 C67 V68 N86V33-L73 HydrophobicContact CG1-CD1 4.42Å; F34-L73 HydrophobicContact CD1-CD2 3.92Å; F34-L73 HydrophobicContact CE1-CD2 3.93Å; F34-L73 HydrophobicContact CE1-CG 4.26Å; L37-L73 HydrophobicContact CD1-CD1 4.05Å; L37-L73 HydrophobicContact CD1-CD2 3.55Å; L37-L73 HydrophobicContact CD1-CG 4.47Å; L64-L73 HydrophobicContact CD2-CD1 3.53Å; C67-L73 HydrophobicContact CB-CB 4.34Å; C67-L73 HydrophobicContact CB-CD1 3.72Å; C67-L73 HydrophobicContact CB-CG 3.87Å; C67-L73 PolarHBondContact O-N 3.28Å; C67-L73 VanDerWaalsContact O-N 3.16Å; V68-L73 HydrophobicContact CG2-CB 3.97Å; L73-N86 WeakPolarHBondContact CD2-OD1 3.4Å
74K98.7Very high97.5Very high86 Ų8661.9 Ų61.937%0.37436%0.358SS..EExtended strand (participates in β ladder)trans-106.7148.8165.9-52.5-177.1-166.8172.50108.7Y84 R85 T87K74-Y84 WeakPolarHBondContact O-CA 3.43Å; K74-R85 HydrophobicContact CB-CG 3.92Å; K74-R85 PolarHBondContact N-O 2.85Å; K74-R85 PolarHBondContact O-N 3.49Å; K74-T87 HydrophobicContact CD-CG2 4.41Å; K74-T87 HydrophobicContact CG-CG2 3.57Å
75V98.5Very high97.4Very high64 Ų6466.3 Ų66.339%0.38837%0.374SS..EExtended strand (participates in β ladder)trans-121.9145.2173.568.80000110.5V68 A82 F83 Y84V68-V75 HydrophobicContact CG1-CB 4.3Å; V68-V75 HydrophobicContact CG1-CG1 3.77Å; V68-V75 HydrophobicContact CG2-CB 3.94Å; V68-V75 HydrophobicContact CG2-CG1 4.31Å; V75-A82 HydrophobicContact CG2-CB 3.83Å; V75-F83 CarbonylContact C-O 3.38Å; V75-F83 WeakPolarHBondContact CA-O 3.35Å; V75-Y84 HydrophobicContact CB-CD1 4.24Å; V75-Y84 HydrophobicContact CB-CE1 4.35Å; V75-Y84 HydrophobicContact CG2-CD1 4.11Å; V75-Y84 HydrophobicContact CG2-CE1 3.97Å
76E96.9Very high97.5Very high52 Ų5264.2 Ų64.224%0.24336%0.363CS..EExtended strand (participates in β ladder)trans-134.1148.2168.665.4-173.5120.900110.5P43 R78 F83 R85P43-E76 WeakPolarHBondContact CG-OE1 3.29Å; E76-R78 VanDerWaalsContact CD-NE 3.31Å; E76-R78 HydrophobicContact CG-CG 4.49Å; E76-R78 IonicContact OE1-CZ 2.9Å; E76-R78 IonicContact OE1-NE 2.76Å; E76-R78 IonicContact OE1-NH2 3.22Å; E76-R78 PolarHBondContact OE1-NH2 3.27Å; E76-R78 IonicContact OE2-CZ 3.51Å; E76-R78 IonicContact OE2-NE 3.78Å; E76-R78 PolarHBondContact OE2-NE 2.94Å; E76-R78 IonicContact OE2-NH2 3.06Å; E76-R78 PolarHBondContact OE2-NH2 3.29Å; E76-F83 HydrophobicContact CG-CB 3.97Å; E76-F83 PolarHBondContact N-O 2.92Å; E76-F83 PolarHBondContact O-N 2.94Å; E76-R85 VanDerWaalsContact CD-NH1 3.34Å; E76-R85 IonicContact OE1-NH1 2.88Å; E76-R85 PolarHBondContact OE1-NH1 3.43Å
77T96.4Very high97.5Very high109 Ų10961.6 Ų61.667%0.66935%0.35SS*.EExtended strand (participates in β ladder)trans-100.9122.3179.2-51.90000110K81T77-K81 CarbonylContact C-O 3.53Å; T77-K81 WeakPolarHBondContact CA-O 3.42Å
78R94.8Very high97.4Very high121 Ų12168.6 Ų68.646%0.45738%0.383SS..EExtended strand (participates in β ladder)trans-127.8121.2174.6-57.8176.2-179.2178.1-0.5109.3E76 G80 K81 F83E76-R78 VanDerWaalsContact CD-NE 3.31Å; E76-R78 HydrophobicContact CG-CG 4.49Å; E76-R78 IonicContact OE1-CZ 2.9Å; E76-R78 IonicContact OE1-NE 2.76Å; E76-R78 IonicContact OE1-NH2 3.22Å; E76-R78 PolarHBondContact OE1-NH2 3.27Å; E76-R78 IonicContact OE2-CZ 3.51Å; E76-R78 IonicContact OE2-NE 3.78Å; E76-R78 PolarHBondContact OE2-NE 2.94Å; E76-R78 IonicContact OE2-NH2 3.06Å; E76-R78 PolarHBondContact OE2-NH2 3.29Å; R78-G80 PolarHBondContact O-N 3.49Å; R78-K81 PolarHBondContact N-O 3.48Å; R78-K81 PolarHBondContact O-N 3.4Å; R78-F83 HydrophobicContact CB-CD2 3.78Å; R78-F83 HydrophobicContact CB-CE2 3.69Å; R78-F83 HydrophobicContact CG-CD2 4.08Å; R78-F83 HydrophobicContact CG-CE2 4.43Å
79G91.6Very high97.4Very high90 Ų9070.7 Ų70.793%0.92839%0.393SS*.THydrogen-bonded Turntrans5733.5177.700000114.5K81G79-K81 VanDerWaalsContact C-N 3.33Å; G79-K81 PolarHBondContact O-N 2.85Å
80G92.1Very high97.4Very high74 Ų7466.2 Ų66.276%0.76336%0.362SS*.THydrogen-bonded Turntrans80.94.9-178.800000115.5R78R78-G80 PolarHBondContact O-N 3.49Å
81K94.4Very high97.4Very high115 Ų11566.2 Ų66.250%0.537%0.366SS..EExtended strand (participates in β ladder)trans-110.7144.6173.4-68.9-176.8170.8-166.20111.6D45 T77 R78 G79 F83D45-K81 IonicContact OD2-NZ 3.4Å; D45-K81 PolarHBondContact OD2-NZ 3.36Å; T77-K81 CarbonylContact C-O 3.53Å; T77-K81 WeakPolarHBondContact CA-O 3.42Å; R78-K81 PolarHBondContact N-O 3.48Å; R78-K81 PolarHBondContact O-N 3.4Å; G79-K81 VanDerWaalsContact C-N 3.33Å; G79-K81 PolarHBondContact O-N 2.85Å; K81-F83 HydrophobicContact CB-CD2 4.33Å; K81-F83 HydrophobicContact CB-CE2 3.7Å; K81-F83 HydrophobicContact CB-CZ 4.32Å; K81-F83 WeakPolarHBondContact O-CD2 3.46Å
82A98Very high97.4Very high33 Ų3361.8 Ų61.827%0.27335%0.35SS..EExtended strand (participates in β ladder)trans-80.4134.5170.700000110.6D45 V75 Y84D45-A82 WeakPolarHBondContact CA-O 3.31Å; D45-A82 WeakPolarHBondContact CB-O 3.5Å; V75-A82 HydrophobicContact CG2-CB 3.83Å; A82-Y84 HydrophobicContact CB-CE2 3.99Å
83F98.7Very high97.4Very high41 Ų4165.7 Ų65.718%0.1837%0.365CS..EExtended strand (participates in β ladder)trans-125.7126.7176.3-72.6-90.7000109.5P43 L44 D45 V75 E76 R78 K81P43-F83 HydrophobicContact CB-CB 3.96Å; P43-F83 HydrophobicContact CG-CB 4.13Å; P43-F83 WeakPolarHBondContact O-CD1 3.31Å; L44-F83 CarbonylContact O-C 3.41Å; L44-F83 WeakPolarHBondContact O-CA 3.3Å; D45-F83 HydrophobicContact CB-CD1 4.12Å; D45-F83 HydrophobicContact CB-CE1 3.95Å; D45-F83 HydrophobicContact CB-CZ 4.36Å; V75-F83 CarbonylContact C-O 3.38Å; V75-F83 WeakPolarHBondContact CA-O 3.35Å; E76-F83 HydrophobicContact CG-CB 3.97Å; E76-F83 PolarHBondContact N-O 2.92Å; E76-F83 PolarHBondContact O-N 2.94Å; R78-F83 HydrophobicContact CB-CD2 3.78Å; R78-F83 HydrophobicContact CB-CE2 3.69Å; R78-F83 HydrophobicContact CG-CD2 4.08Å; R78-F83 HydrophobicContact CG-CE2 4.43Å; K81-F83 HydrophobicContact CB-CD2 4.33Å; K81-F83 HydrophobicContact CB-CE2 3.7Å; K81-F83 HydrophobicContact CB-CZ 4.32Å; K81-F83 WeakPolarHBondContact O-CD2 3.46Å
84Y98.8Very high97.4Very high2 Ų265.9 Ų65.91%0.00837%0.365CS..EExtended strand (participates in β ladder)trans-104.3146.1-172.5-55.2-95.5000110.8L37 P43 L44 V46 L64 D65 V68 K74 V75 A82L37-Y84 WeakPolarHBondContact CD2-O 3.33Å; P43-Y84 CarbonylContact C-O 3.59Å; P43-Y84 WeakPolarHBondContact CA-O 3.48Å; P43-Y84 VanDerWaalsContact CB-O 3.27Å; P43-Y84 WeakPolarHBondContact CB-O 3.35Å; L44-Y84 PolarHBondContact N-O 3.44Å; L44-Y84 VanDerWaalsContact N-O 3.08Å; L44-Y84 WeakPolarHBondContact O-CD2 3.34Å; L44-Y84 PolarHBondContact O-N 3.01Å; V46-Y84 HydrophobicContact CG2-CE2 3.68Å; L64-Y84 HydrophobicContact CB-CD1 3.88Å; L64-Y84 HydrophobicContact CB-CE1 3.61Å; L64-Y84 HydrophobicContact CB-CE2 4.36Å; L64-Y84 HydrophobicContact CB-CG 4.35Å; L64-Y84 HydrophobicContact CD1-CD2 3.8Å; L64-Y84 HydrophobicContact CD1-CE2 3.84Å; L64-Y84 HydrophobicContact CD1-CG 4.15Å; L64-Y84 HydrophobicContact CD2-CG 4.49Å; D65-Y84 WeakPolarHBondContact OD1-CE1 3.44Å; D65-Y84 PolarHBondContact OD1-OH 3.17Å; V68-Y84 HydrophobicContact CG2-CD1 3.74Å; V68-Y84 HydrophobicContact CG2-CE1 3.89Å; K74-Y84 WeakPolarHBondContact O-CA 3.43Å; V75-Y84 HydrophobicContact CB-CD1 4.24Å; V75-Y84 HydrophobicContact CB-CE1 4.35Å; V75-Y84 HydrophobicContact CG2-CD1 4.11Å; V75-Y84 HydrophobicContact CG2-CE1 3.97Å; A82-Y84 HydrophobicContact CB-CE2 3.99Å
85R98.7Very high97.4Very high94 Ų9462 Ų6236%0.35535%0.349SS..EExtended strand (participates in β ladder)trans-145.8158.317364.7-179.7-176.7-86.9-6.2111.5P43 K74 E76P43-R85 HydrophobicContact CB-CB 4.21Å; K74-R85 HydrophobicContact CB-CG 3.92Å; K74-R85 PolarHBondContact N-O 2.85Å; K74-R85 PolarHBondContact O-N 3.49Å; E76-R85 VanDerWaalsContact CD-NH1 3.34Å; E76-R85 IonicContact OE1-NH1 2.88Å; E76-R85 PolarHBondContact OE1-NH1 3.43Å
86N98.9Very high97.4Very high25 Ų2563 Ų6313%0.13436%0.355CS..EExtended strand (participates in β ladder)trans-60.3152.4173.6-74.2-33.3000112.3F34 L73 S90F34-N86 PolarHBondContact O-ND2 2.88Å; L73-N86 WeakPolarHBondContact CD2-OD1 3.4Å; N86-S90 WeakPolarHBondContact CA-OG 3.37Å; N86-S90 WeakPolarHBondContact CB-OG 3.46Å; N86-S90 PolarHBondContact OD1-OG 2.91Å
87T98.8Very high97.3Very high17 Ų1766.2 Ų66.210%0.10438%0.379CS..  trans-91.9176.8166.157.70000109.6L72 K74 L89 S90 S91L72-T87 WeakPolarHBondContact O-CG2 3.44Å; L72-T87 PolarHBondContact O-OG1 3.42Å; K74-T87 HydrophobicContact CD-CG2 4.41Å; K74-T87 HydrophobicContact CG-CG2 3.57Å; T87-L89 VanDerWaalsContact C-N 3.31Å; T87-S90 PolarHBondContact N-OG 2.85Å; T87-S90 PolarHBondContact OG1-N 2.83Å; T87-S90 VanDerWaalsContact OG1-N 3.12Å; T87-S90 PolarHBondContact OG1-OG 2.66Å; T87-S90 VanDerWaalsContact OG1-OG 3.07Å; T87-S91 WeakPolarHBondContact O-CB 3.43Å; T87-S91 PolarHBondContact O-N 2.92Å
88E98.6Very high97.4Very high149 Ų14962 Ų6270%0.69635%0.353SS*.Hα-helixtrans-60.4-44.7168.6-70.9174.7-17300110.2S90 S91 D92E88-S90 PolarHBondContact O-N 3.12Å; E88-S91 PolarHBondContact O-N 2.99Å; E88-D92 WeakPolarHBondContact O-CB 3.39Å; E88-D92 PolarHBondContact O-N 3.5Å
89L98.7Very high97.6Very high79 Ų7961.7 Ų61.741%0.41437%0.367SS..Hα-helixtrans-55.4-52.3176.5-175.2162.9000112.1L72 T87 Y93 L94L72-L89 HydrophobicContact CD2-CD1 4.45Å; L72-L89 HydrophobicContact CD2-CD2 3.63Å; T87-L89 VanDerWaalsContact C-N 3.31Å; L89-Y93 HydrophobicContact CG-CD2 4.31Å; L89-Y93 WeakPolarHBondContact O-CB 3.47Å; L89-Y93 VanDerWaalsContact O-CD2 3.31Å; L89-Y93 WeakPolarHBondContact O-CD2 3.39Å; L89-Y93 PolarHBondContact O-N 3.25Å; L89-L94 HydrophobicContact CD2-CD1 3.91Å; L89-L94 HydrophobicContact CD2-CG 4.34Å
90S98.7Very high97.9Very high0 Ų059.3 Ų59.30%033%0.334CS..Hα-helixtrans-72.2-33.9-178.847.90000113L72 N86 T87 E88 L94 T95L72-S90 VanDerWaalsContact O-CB 3.28Å; L72-S90 WeakPolarHBondContact O-CB 3.34Å; L72-S90 PolarHBondContact O-OG 2.94Å; N86-S90 WeakPolarHBondContact CA-OG 3.37Å; N86-S90 WeakPolarHBondContact CB-OG 3.46Å; N86-S90 PolarHBondContact OD1-OG 2.91Å; T87-S90 PolarHBondContact N-OG 2.85Å; T87-S90 PolarHBondContact OG1-N 2.83Å; T87-S90 VanDerWaalsContact OG1-N 3.12Å; T87-S90 PolarHBondContact OG1-OG 2.66Å; T87-S90 VanDerWaalsContact OG1-OG 3.07Å; E88-S90 PolarHBondContact O-N 3.12Å; S90-L94 CarbonylContact O-C 3.55Å; S90-L94 VanDerWaalsContact O-CA 3.28Å; S90-L94 WeakPolarHBondContact O-CA 3.04Å; S90-L94 WeakPolarHBondContact O-CB 3.39Å; S90-L94 PolarHBondContact O-N 3.32Å; S90-T95 PolarHBondContact O-N 3.18Å
91S98.7Very high98.2Very high56 Ų5656.3 Ų56.339%0.39230%0.302SS..Hα-helixtrans-59.6-49.9173-175.30000111.1T87 E88 T95T87-S91 WeakPolarHBondContact O-CB 3.43Å; T87-S91 PolarHBondContact O-N 2.92Å; E88-S91 PolarHBondContact O-N 2.99Å; S91-T95 PolarHBondContact O-OG1 3.02Å
92D98.5Very high98.4Very high70 Ų7052.5 Ų52.537%0.37429%0.286SS..Hα-helixtrans-77.7-34.7-172.1-64.8-10.8000112.7E88 S98 T100E88-D92 WeakPolarHBondContact O-CB 3.39Å; E88-D92 PolarHBondContact O-N 3.5Å; D92-S98 WeakPolarHBondContact O-CB 3.41Å; D92-S98 PolarHBondContact O-OG 3.09Å; D92-T100 CarbonylContact O-C 3.57Å; D92-T100 PolarHBondContact O-OG1 3.12Å
93Y98.8Very high98.4Very high99 Ų9951.1 Ų51.139%0.38827%0.274SS..Hα-helixtrans-117.2-15.9-171.4-55.2-67.2000114.8L89 T100 Q102 V166L89-Y93 HydrophobicContact CG-CD2 4.31Å; L89-Y93 WeakPolarHBondContact O-CB 3.47Å; L89-Y93 VanDerWaalsContact O-CD2 3.31Å; L89-Y93 WeakPolarHBondContact O-CD2 3.39Å; L89-Y93 PolarHBondContact O-N 3.25Å; Y93-T100 WeakPolarHBondContact CD1-O 3.21Å; Y93-Q102 HydrophobicContact CD1-CG 4.29Å; Y93-Q102 PolarHBondContact O-N 3.47Å; Y93-V166 HydrophobicContact CE1-CG1 4.01Å
94L98.8Very high98.3Very high7 Ų750.2 Ų50.24%0.03727%0.273CS..Hα-helixtrans-121.97.4-171-51.1178.5000114.1L25 F34 L72 L89 S90 C103 L106L25-L94 HydrophobicContact CD1-CD1 3.8Å; L25-L94 HydrophobicContact CD1-CD2 4.08Å; F34-L94 HydrophobicContact CB-CB 4.27Å; F34-L94 WeakPolarHBondContact CB-O 3.39Å; F34-L94 HydrophobicContact CD1-CB 4.36Å; F34-L94 HydrophobicContact CD2-CB 3.6Å; F34-L94 HydrophobicContact CD2-CD1 4.28Å; F34-L94 HydrophobicContact CE1-CD1 4.07Å; F34-L94 HydrophobicContact CE2-CB 3.97Å; F34-L94 HydrophobicContact CE2-CD1 3.81Å; F34-L94 HydrophobicContact CE2-CG 4.43Å; F34-L94 HydrophobicContact CG-CB 3.81Å; F34-L94 HydrophobicContact CZ-CD1 3.7Å; L72-L94 HydrophobicContact CD2-CD1 4.16Å; L89-L94 HydrophobicContact CD2-CD1 3.91Å; L89-L94 HydrophobicContact CD2-CG 4.34Å; S90-L94 CarbonylContact O-C 3.55Å; S90-L94 VanDerWaalsContact O-CA 3.28Å; S90-L94 WeakPolarHBondContact O-CA 3.04Å; S90-L94 WeakPolarHBondContact O-CB 3.39Å; S90-L94 PolarHBondContact O-N 3.32Å; L94-C103 VanDerWaalsContact CA-SG 3.58Å; L94-C103 PolarHBondContact O-SG 3.38Å; L94-L106 HydrophobicContact CD2-CD1 3.33Å
95T98.6Very high98.3Very high5 Ų551.8 Ų51.83%0.03128%0.281CS..SBendtrans-103.4141.6168.2670000110.3F34 D35 A38 S90 S91 V97 S98 S101F34-T95 HydrophobicContact CB-CG2 4.33Å; D35-T95 WeakPolarHBondContact OD1-CA 3.43Å; A38-T95 HydrophobicContact CB-CG2 3.84Å; S90-T95 PolarHBondContact O-N 3.18Å; S91-T95 PolarHBondContact O-OG1 3.02Å; T95-V97 VanDerWaalsContact C-N 3.28Å; T95-V97 PolarHBondContact O-N 3.46Å; T95-S98 PolarHBondContact O-N 3.4Å; T95-S98 WeakPolarHBondContact OG1-CB 3.45Å; T95-S101 WeakPolarHBondContact O-CB 3.45Å; T95-S101 PolarHBondContact O-OG 3.12Å
96T97.3Very high98.3Very high84 Ų8448.4 Ų48.452%0.51527%0.27SS..THydrogen-bonded Turntrans-68.6-28.5-176.7-59.20000111.9D35 S98D35-T96 WeakPolarHBondContact OD1-CB 3.42Å; D35-T96 PolarHBondContact OD1-N 2.87Å; D35-T96 PolarHBondContact OD1-OG1 3.04Å; D35-T96 PolarHBondContact OD2-OG1 2.74Å; T96-S98 VanDerWaalsContact C-N 3.31Å
97V96Very high98.3Very high121 Ų12149.1 Ų49.173%0.73327%0.272SS*.THydrogen-bonded Turntrans-76.6-16.6177.9-63.50000113.6T95T95-V97 VanDerWaalsContact C-N 3.28Å; T95-V97 PolarHBondContact O-N 3.46Å
98S98.4Very high98.3Very high19 Ų1949.2 Ų49.213%0.13327%0.27CS..SBendtrans-69.2133.6-178.2179.60000111.4D92 T95 T96 T100 S101D92-S98 WeakPolarHBondContact O-CB 3.41Å; D92-S98 PolarHBondContact O-OG 3.09Å; T95-S98 PolarHBondContact O-N 3.4Å; T95-S98 WeakPolarHBondContact OG1-CB 3.45Å; T96-S98 VanDerWaalsContact C-N 3.31Å; S98-T100 PolarHBondContact O-N 3.46Å; S98-T100 VanDerWaalsContact O-N 3.14Å; S98-T100 PolarHBondContact OG-N 3.31Å; S98-T100 PolarHBondContact OG-OG1 3.49Å; S98-S101 WeakPolarHBondContact O-CB 3.27Å; S98-S101 PolarHBondContact O-N 3.35Å; S98-S101 VanDerWaalsContact O-N 3.11Å
99P97.9Very high98.3Very high116 Ų11644.6 Ų44.675%0.75325%0.249SC*.THydrogen-bonded Turntrans-59.2-23.8172.4-22.733.5000113.5S165P99-S165 WeakPolarHBondContact O-CB 3.11Å; P99-S165 PolarHBondContact O-OG 2.95Å
100T98.4Very high98.3Very high39 Ų3941.4 Ų41.424%0.23924%0.236CC..THydrogen-bonded Turntrans-104.115.7-179.949.20000113.6D92 Y93 S98 Q102 S165 V166D92-T100 CarbonylContact O-C 3.57Å; D92-T100 PolarHBondContact O-OG1 3.12Å; Y93-T100 WeakPolarHBondContact CD1-O 3.21Å; S98-T100 PolarHBondContact O-N 3.46Å; S98-T100 VanDerWaalsContact O-N 3.14Å; S98-T100 PolarHBondContact OG-N 3.31Å; S98-T100 PolarHBondContact OG-OG1 3.49Å; T100-Q102 PolarHBondContact O-NE2 2.97Å; T100-S165 WeakPolarHBondContact CA-OG 3.28Å; T100-V166 HydrophobicContact CG2-CG1 3.77Å
101S98.6Very high98.2Very high11 Ų1146.4 Ų46.48%0.07725%0.254CS..  trans-52.9140.5179.4-162.30000113T95 S98 C103 E162T95-S101 WeakPolarHBondContact O-CB 3.45Å; T95-S101 PolarHBondContact O-OG 3.12Å; S98-S101 WeakPolarHBondContact O-CB 3.27Å; S98-S101 PolarHBondContact O-N 3.35Å; S98-S101 VanDerWaalsContact O-N 3.11Å; S101-C103 PolarHBondContact OG-SG 3.22Å; S101-E162 WeakPolarHBondContact O-CB 3.45Å; S101-E162 VanDerWaalsContact O-CG 3.27Å; S101-E162 WeakPolarHBondContact O-CG 3.27Å
102Q98.6Very high98.2Very high36 Ų3644.4 Ų44.417%0.16824%0.24CC..  trans-121.116.2176-55.4-59.5-60.200111.4Y93 T100 S104 M105 L106 E162Y93-Q102 HydrophobicContact CD1-CG 4.29Å; Y93-Q102 PolarHBondContact O-N 3.47Å; T100-Q102 PolarHBondContact O-NE2 2.97Å; Q102-S104 PolarHBondContact O-N 2.84Å; Q102-M105 PolarHBondContact O-N 2.67Å; Q102-L106 VanDerWaalsContact O-CG 3.3Å; Q102-L106 WeakPolarHBondContact O-CG 3.28Å; Q102-L106 PolarHBondContact O-N 2.91Å; Q102-L106 VanDerWaalsContact O-N 3.13Å; Q102-E162 VanDerWaalsContact CA-OE2 3.24Å; Q102-E162 WeakPolarHBondContact CA-OE2 3.25Å; Q102-E162 PolarHBondContact NE2-O 2.83Å
103C97.4Very high98.2Very high3 Ų341.7 Ų41.72%0.0223%0.226CC..Hα-helixtrans-63.4-41.9-172.6-75.40000113.5L94 S101 L106 K107 E162L94-C103 VanDerWaalsContact CA-SG 3.58Å; L94-C103 PolarHBondContact O-SG 3.38Å; S101-C103 PolarHBondContact OG-SG 3.22Å; C103-L106 PolarHBondContact O-N 3.15Å; C103-K107 WeakPolarHBondContact O-CB 3.4Å; C103-K107 VanDerWaalsContact O-CG 3.27Å; C103-K107 WeakPolarHBondContact O-CG 3.43Å; C103-K107 PolarHBondContact O-N 2.73Å; C103-E162 PolarHBondContact N-OE1 3.31Å; C103-E162 PolarHBondContact N-OE2 3.27Å
104S98.2Very high98.2Very high23 Ų2340.9 Ų40.916%0.16122%0.223CC..Hα-helixtrans-68.5-39.2-177-49.80000110.6Q102 K107 Y108 Q155 E162Q102-S104 PolarHBondContact O-N 2.84Å; S104-K107 PolarHBondContact O-N 2.72Å; S104-Y108 VanDerWaalsContact O-CB 3.31Å; S104-Y108 WeakPolarHBondContact O-CB 3.38Å; S104-Y108 PolarHBondContact O-N 3.31Å; S104-Q155 PolarHBondContact O-NE2 2.94Å; S104-E162 WeakPolarHBondContact CA-OE1 3.39Å; S104-E162 WeakPolarHBondContact CA-OE2 3.16Å; S104-E162 VanDerWaalsContact CB-CD 3.44Å; S104-E162 WeakPolarHBondContact CB-OE1 3.47Å; S104-E162 VanDerWaalsContact N-CD 3.31Å; S104-E162 PolarHBondContact N-OE1 2.9Å; S104-E162 PolarHBondContact N-OE2 2.89Å; S104-E162 PolarHBondContact OG-OE1 3.19Å
105M98.6Very high98.2Very high34 Ų3447.4 Ų47.417%0.16725%0.247CC..Hα-helixtrans-64.1-43.7175.2-172.261.9-170.200111.4Q102 Y108 M109 A159 E162Q102-M105 PolarHBondContact O-N 2.67Å; M105-Y108 PolarHBondContact O-N 3.34Å; M105-M109 HydrophobicContact CE-CE 3.35Å; M105-M109 HydrophobicContact CE-CG 4.03Å; M105-M109 HydrophobicContact CE-SD 4.49Å; M105-M109 HydrophobicContact CG-CE 4.03Å; M105-M109 WeakPolarHBondContact O-CB 3.33Å; M105-M109 VanDerWaalsContact O-CG 3.31Å; M105-M109 WeakPolarHBondContact O-CG 3.39Å; M105-M109 PolarHBondContact O-N 2.75Å; M105-A159 HydrophobicContact CB-CB 4.31Å; M105-A159 HydrophobicContact SD-CB 3.93Å; M105-E162 WeakPolarHBondContact CB-OE2 3.32Å; M105-E162 PolarHBondContact N-OE2 3.32Å
106L98.7Very high98.2Very high24 Ų2447.2 Ų47.213%0.12625%0.246CC..Hα-helixtrans-64.9-42176.8-68.4171.2000112.3L25 F26 L94 Q102 C103 M109 G110L25-L106 HydrophobicContact CD1-CD1 4.15Å; L25-L106 HydrophobicContact CD2-CD1 4.1Å; L25-L106 HydrophobicContact CD2-CD2 3.74Å; L25-L106 HydrophobicContact CG-CD1 4.09Å; L25-L106 HydrophobicContact CG-CD2 4.28Å; F26-L106 HydrophobicContact CD1-CB 4.13Å; F26-L106 HydrophobicContact CD1-CD2 4.22Å; F26-L106 VanDerWaalsContact CD1-O 3.27Å; F26-L106 WeakPolarHBondContact CD1-O 3.33Å; F26-L106 HydrophobicContact CE1-CB 4.44Å; F26-L106 HydrophobicContact CE1-CD2 3.85Å; L94-L106 HydrophobicContact CD2-CD1 3.33Å; Q102-L106 VanDerWaalsContact O-CG 3.3Å; Q102-L106 WeakPolarHBondContact O-CG 3.28Å; Q102-L106 PolarHBondContact O-N 2.91Å; Q102-L106 VanDerWaalsContact O-N 3.13Å; C103-L106 PolarHBondContact O-N 3.15Å; L106-M109 PolarHBondContact O-N 2.75Å; L106-G110 PolarHBondContact O-N 3.26Å
107K98.4Very high98.2Very high40 Ų4046.9 Ų46.917%0.17424%0.235CC..Hα-helixtrans-62-43.8173.4-72.3168-175.6175.50111.2C29 C103 S104 G110 R111C29-K107 VanDerWaalsContact C-CE 3.45Å; C29-K107 HydrophobicContact CB-CG 4.26Å; C29-K107 WeakPolarHBondContact O-CE 3.41Å; C29-K107 PolarHBondContact O-NZ 3.04Å; C103-K107 WeakPolarHBondContact O-CB 3.4Å; C103-K107 VanDerWaalsContact O-CG 3.27Å; C103-K107 WeakPolarHBondContact O-CG 3.43Å; C103-K107 PolarHBondContact O-N 2.73Å; S104-K107 PolarHBondContact O-N 2.72Å; K107-G110 PolarHBondContact O-N 3.48Å; K107-R111 WeakPolarHBondContact O-CB 3.37Å; K107-R111 WeakPolarHBondContact O-CD 3.24Å; K107-R111 VanDerWaalsContact O-CG 3.25Å; K107-R111 WeakPolarHBondContact O-CG 3.43Å; K107-R111 PolarHBondContact O-N 3.48Å
108Y98.6Very high98.4Very high19 Ų1944.4 Ų44.48%0.07523%0.234CC..Hα-helixtrans-59.9-52.3175.7179.7-96.2000110.7S104 M105 G110 R111 T112 Q155 F156 A159S104-Y108 VanDerWaalsContact O-CB 3.31Å; S104-Y108 WeakPolarHBondContact O-CB 3.38Å; S104-Y108 PolarHBondContact O-N 3.31Å; M105-Y108 PolarHBondContact O-N 3.34Å; Y108-G110 VanDerWaalsContact C-N 3.3Å; Y108-G110 PolarHBondContact O-N 3.32Å; Y108-R111 PolarHBondContact O-N 3Å; Y108-R111 VanDerWaalsContact O-N 3.09Å; Y108-T112 HydrophobicContact CD2-CG2 4.19Å; Y108-T112 VanDerWaalsContact CE1-OG1 3.28Å; Y108-T112 WeakPolarHBondContact CE1-OG1 3.01Å; Y108-T112 HydrophobicContact CE2-CG2 3.84Å; Y108-T112 WeakPolarHBondContact CE2-OG1 3.44Å; Y108-T112 VanDerWaalsContact CZ-OG1 3.24Å; Y108-T112 PolarHBondContact O-N 2.84Å; Y108-T112 PolarHBondContact O-OG1 3.11Å; Y108-Q155 HydrophobicContact CD2-CG 4.38Å; Y108-F156 HydrophobicContact CE1-CD2 4.41Å; Y108-F156 HydrophobicContact CE2-CB 4.15Å; Y108-F156 AromaticContact CE2-CD2 3.78Å; Y108-F156 HydrophobicContact CE2-CD2 3.78Å; Y108-F156 HydrophobicContact CE2-CG 4.46Å; Y108-F156 AromaticContact CZ-CD2 3.64Å; Y108-A159 HydrophobicContact CG-CB 4.1Å
109M98.6Very high98.4Very high51 Ų5146.3 Ų46.325%0.25124%0.241SC..Hα-helixtrans-53.4-44.8176.7-73.3-175.5178.300112.5F26 M105 L106 S113 Y114F26-M109 HydrophobicContact CE1-CB 4.04Å; F26-M109 HydrophobicContact CZ-CB 3.87Å; M105-M109 HydrophobicContact CE-CE 3.35Å; M105-M109 HydrophobicContact CE-CG 4.03Å; M105-M109 HydrophobicContact CE-SD 4.49Å; M105-M109 HydrophobicContact CG-CE 4.03Å; M105-M109 WeakPolarHBondContact O-CB 3.33Å; M105-M109 VanDerWaalsContact O-CG 3.31Å; M105-M109 WeakPolarHBondContact O-CG 3.39Å; M105-M109 PolarHBondContact O-N 2.75Å; L106-M109 PolarHBondContact O-N 2.75Å; M109-S113 PolarHBondContact O-N 3.1Å; M109-Y114 WeakPolarHBondContact O-CB 3.16Å; M109-Y114 PolarHBondContact O-N 3.46Å
110G98.1Very high98.4Very high13 Ų1343 Ų4313%0.13422%0.216CC..Hα-helixtrans-66.4-35.2179.100000114L106 K107 Y108L106-G110 PolarHBondContact O-N 3.26Å; K107-G110 PolarHBondContact O-N 3.48Å; Y108-G110 VanDerWaalsContact C-N 3.3Å; Y108-G110 PolarHBondContact O-N 3.32Å
111R98.1Very high98.4Very high104 Ų10443.7 Ų43.739%0.39223%0.226SC..Hα-helixtrans-87.7-30.5-175.2-69166.8178.6179.4-11113.5E30 K107 Y108 R115 Q155E30-R111 IonicContact OE1-CZ 2.66Å; E30-R111 IonicContact OE1-NE 3.26Å; E30-R111 IonicContact OE1-NH2 2.75Å; E30-R111 PolarHBondContact OE1-NH2 3.46Å; E30-R111 IonicContact OE2-CZ 3.93Å; E30-R111 IonicContact OE2-NE 3.48Å; E30-R111 PolarHBondContact OE2-NE 3.05Å; E30-R111 IonicContact OE2-NH2 2.75Å; E30-R111 PolarHBondContact OE2-NH2 2.85Å; K107-R111 WeakPolarHBondContact O-CB 3.37Å; K107-R111 WeakPolarHBondContact O-CD 3.24Å; K107-R111 VanDerWaalsContact O-CG 3.25Å; K107-R111 WeakPolarHBondContact O-CG 3.43Å; K107-R111 PolarHBondContact O-N 3.48Å; Y108-R111 PolarHBondContact O-N 3Å; Y108-R111 VanDerWaalsContact O-N 3.09Å; R111-R115 WeakPolarHBondContact O-CD 3.28Å; R111-Q155 VanDerWaalsContact NH1-OE1 3.13Å
112T98.3Very high98.4Very high14 Ų1445.9 Ų45.99%0.08624%0.237CC..THydrogen-bonded Turntrans-115.2-72.1-175.859.50000111.6Y108 Y114 R115 C116Y108-T112 HydrophobicContact CD2-CG2 4.19Å; Y108-T112 VanDerWaalsContact CE1-OG1 3.28Å; Y108-T112 WeakPolarHBondContact CE1-OG1 3.01Å; Y108-T112 HydrophobicContact CE2-CG2 3.84Å; Y108-T112 WeakPolarHBondContact CE2-OG1 3.44Å; Y108-T112 VanDerWaalsContact CZ-OG1 3.24Å; Y108-T112 PolarHBondContact O-N 2.84Å; Y108-T112 PolarHBondContact O-OG1 3.11Å; T112-Y114 VanDerWaalsContact C-N 3.32Å; T112-Y114 PolarHBondContact O-N 3.04Å; T112-R115 WeakPolarHBondContact O-CB 3.26Å; T112-R115 PolarHBondContact O-N 3.45Å; T112-C116 PolarHBondContact O-N 3.01Å
113S98.2Very high98.5Very high13 Ų1344.1 Ų44.19%0.09123%0.229CC..Hα-helixtrans-53.2-48.1-173.2-56.60000111.8M109 R115 C116 W117 Q259M109-S113 PolarHBondContact O-N 3.1Å; S113-R115 PolarHBondContact O-N 3.49Å; S113-R115 VanDerWaalsContact O-N 3.17Å; S113-C116 PolarHBondContact O-N 2.61Å; S113-C116 VanDerWaalsContact O-N 3.09Å; S113-W117 PolarHBondContact O-N 3.34Å; S113-Q259 PolarHBondContact OG-NE2 2.71Å
114Y98.6Very high98.5Very high82 Ų8248.2 Ų48.232%0.32225%0.253SS..Hα-helixtrans-56.4-37-179.1-172.1-83000112.7F19 Q23 F26 M109 T112F19-Y114 HydrophobicContact CB-CE2 4.02Å; F19-Y114 WeakPolarHBondContact CD2-OH 3.44Å; Q23-Y114 HydrophobicContact CG-CD2 4.25Å; Q23-Y114 HydrophobicContact CG-CE1 4.27Å; Q23-Y114 HydrophobicContact CG-CE2 3.64Å; Q23-Y114 VanDerWaalsContact NE2-CE1 3.27Å; F26-Y114 HydrophobicContact CE2-CD2 4.14Å; M109-Y114 WeakPolarHBondContact O-CB 3.16Å; M109-Y114 PolarHBondContact O-N 3.46Å; T112-Y114 VanDerWaalsContact C-N 3.32Å; T112-Y114 PolarHBondContact O-N 3.04Å
115R98.4Very high98.5Very high145 Ų14555.7 Ų55.755%0.54728%0.278SS..Hα-helixtrans-70.3-46.3176.8-65.1-176.961.594.53.3111.4R111 T112 S113 W117 G118 T134 F135R111-R115 WeakPolarHBondContact O-CD 3.28Å; T112-R115 WeakPolarHBondContact O-CB 3.26Å; T112-R115 PolarHBondContact O-N 3.45Å; S113-R115 PolarHBondContact O-N 3.49Å; S113-R115 VanDerWaalsContact O-N 3.17Å; R115-W117 VanDerWaalsContact C-N 3.27Å; R115-W117 PolarHBondContact O-N 3.15Å; R115-G118 PolarHBondContact O-N 2.82Å; R115-T134 HydrophobicContact CB-CG2 3.64Å; R115-F135 HydrophobicContact CB-CE1 4.34Å; R115-F135 HydrophobicContact CB-CZ 4.32Å
116C98.4Very high98.5Very high0 Ų058.7 Ų58.70%029%0.292CS..Hα-helixtrans-60.3-38.9178-61.60000111.9T112 S113 G118 H119 F135 V258 Q259T112-C116 PolarHBondContact O-N 3.01Å; S113-C116 PolarHBondContact O-N 2.61Å; S113-C116 VanDerWaalsContact O-N 3.09Å; C116-G118 PolarHBondContact O-N 3.4Å; C116-H119 WeakPolarHBondContact O-CB 3.24Å; C116-H119 PolarHBondContact O-N 3.28Å; C116-F135 WeakPolarHBondContact SG-CE2 3.46Å; C116-V258 HydrophobicContact CB-CG1 3.58Å; C116-Q259 HydrophobicContact CB-CG 4.11Å
117W98.7Very high98.5Very high78 Ų7860.1 Ų60.130%0.29531%0.312SS..Hα-helixtrans-64.4-19.1177.3-8369.9000113.4S113 R115 H119 L120 L251 L254 N255S113-W117 PolarHBondContact O-N 3.34Å; R115-W117 VanDerWaalsContact C-N 3.27Å; R115-W117 PolarHBondContact O-N 3.15Å; W117-H119 PolarHBondContact O-N 3.06Å; W117-L120 HydrophobicContact CE3-CD2 3.88Å; W117-L120 HydrophobicContact CZ3-CD2 3.87Å; W117-L120 VanDerWaalsContact O-CB 3.22Å; W117-L120 WeakPolarHBondContact O-CB 3.31Å; W117-L120 PolarHBondContact O-N 3.39Å; W117-L120 VanDerWaalsContact O-N 3.11Å; W117-L251 HydrophobicContact CH2-CD2 4.07Å; W117-L254 HydrophobicContact CH2-CB 4.22Å; W117-L254 HydrophobicContact CH2-CD2 3.91Å; W117-L254 HydrophobicContact CH2-CG 4.11Å; W117-L254 HydrophobicContact CZ3-CD2 4.09Å; W117-N255 HydrophobicContact CZ2-CB 3.97Å; W117-N255 PolarHBondContact NE1-OD1 3.28Å
118G98.6Very high98.5Very high68 Ų6863.3 Ų63.370%0.70132%0.323SS*.THydrogen-bonded Turntrans-60.8-22.8167.900000113.5R115 C116R115-G118 PolarHBondContact O-N 2.82Å; C116-G118 PolarHBondContact O-N 3.4Å
119H98.7Very high98.5Very high60 Ų6063.5 Ų63.528%0.27833%0.325SS..THydrogen-bonded Turntrans-102.615.1176.7-61.8-82.9000113.2C116 W117 A121 D122 A123 Q130 T134C116-H119 WeakPolarHBondContact O-CB 3.24Å; C116-H119 PolarHBondContact O-N 3.28Å; W117-H119 PolarHBondContact O-N 3.06Å; H119-A121 VanDerWaalsContact C-N 3.26Å; H119-A121 PolarHBondContact O-N 3.3Å; H119-D122 PolarHBondContact O-N 2.94Å; H119-A123 PolarHBondContact O-N 2.87Å; H119-Q130 HydrophobicContact CB-CB 3.89Å; H119-Q130 HydrophobicContact CB-CG 3.8Å; H119-T134 PolarHBondContact CD2-OG1 2.74Å
120L98.8Very high98.5Very high46 Ų4661.1 Ų61.124%0.24131%0.314CS..Hα-helixtrans-53.9-40.5-176.4173.563.9000113.1W117 D122 A123 V124 L254 V258W117-L120 HydrophobicContact CE3-CD2 3.88Å; W117-L120 HydrophobicContact CZ3-CD2 3.87Å; W117-L120 VanDerWaalsContact O-CB 3.22Å; W117-L120 WeakPolarHBondContact O-CB 3.31Å; W117-L120 PolarHBondContact O-N 3.39Å; W117-L120 VanDerWaalsContact O-N 3.11Å; L120-D122 VanDerWaalsContact C-N 3.26Å; L120-D122 PolarHBondContact O-N 2.85Å; L120-A123 PolarHBondContact O-N 2.91Å; L120-V124 HydrophobicContact CD1-CG2 3.91Å; L120-V124 HydrophobicContact CG-CG2 4.35Å; L120-V124 VanDerWaalsContact O-CG2 3.31Å; L120-V124 WeakPolarHBondContact O-CG2 3.39Å; L120-V124 PolarHBondContact O-N 2.88Å; L120-L254 HydrophobicContact CD1-CD1 3.9Å; L120-L254 HydrophobicContact CD1-CD2 3.86Å; L120-L254 HydrophobicContact CD1-CG 3.78Å; L120-L254 HydrophobicContact CD2-CD2 4.27Å; L120-V258 HydrophobicContact CD1-CG2 3.55Å
121A98.8Very high98.5Very high53 Ų5360.8 Ų60.844%0.43831%0.308SS..Hα-helixtrans-61.8-36.3-178.700000112.3H119 R125H119-A121 VanDerWaalsContact C-N 3.26Å; H119-A121 PolarHBondContact O-N 3.3Å; A121-R125 VanDerWaalsContact O-CG 3.25Å; A121-R125 WeakPolarHBondContact O-CG 3.32Å; A121-R125 PolarHBondContact O-N 3.44Å; A121-R125 VanDerWaalsContact O-N 3.15Å
122D98.8Very high98.5Very high57 Ų5760.2 Ų60.231%0.30531%0.313SS..Hα-helixtrans-78.4-40.3177.9-61.3-32.2000110.9H119 L120 V124 R125 E126H119-D122 PolarHBondContact O-N 2.94Å; L120-D122 VanDerWaalsContact C-N 3.26Å; L120-D122 PolarHBondContact O-N 2.85Å; D122-V124 PolarHBondContact O-N 3.05Å; D122-R125 PolarHBondContact O-N 2.83Å; D122-R125 IonicContact OD1-CZ 3Å; D122-R125 IonicContact OD1-NH1 3.6Å; D122-R125 PolarHBondContact OD1-NH1 3.09Å; D122-E126 WeakPolarHBondContact O-CB 3.25Å; D122-E126 WeakPolarHBondContact O-CG 3.4Å; D122-E126 PolarHBondContact O-N 3.39Å
123A98.8Very high98.5Very high0 Ų062.9 Ų62.90%032%0.324CS..Hα-helixtrans-54.3-41.617200000112.1H119 L120 G127 R128 Q130 V258H119-A123 PolarHBondContact O-N 2.87Å; L120-A123 PolarHBondContact O-N 2.91Å; A123-G127 WeakPolarHBondContact O-CA 3.37Å; A123-G127 PolarHBondContact O-N 3.39Å; A123-R128 WeakPolarHBondContact CA-O 3.28Å; A123-R128 PolarHBondContact O-N 2.85Å; A123-Q130 HydrophobicContact CB-CG 3.73Å; A123-V258 HydrophobicContact CB-CG2 3.89Å
124V98.7Very high98.5Very high88 Ų8862.8 Ų62.853%0.53332%0.323SS..Hα-helixtrans-69.5-39.6176.4170.70000112.2L120 D122 L254 L257L120-V124 HydrophobicContact CD1-CG2 3.91Å; L120-V124 HydrophobicContact CG-CG2 4.35Å; L120-V124 VanDerWaalsContact O-CG2 3.31Å; L120-V124 WeakPolarHBondContact O-CG2 3.39Å; L120-V124 PolarHBondContact O-N 2.88Å; D122-V124 PolarHBondContact O-N 3.05Å; V124-L254 HydrophobicContact CG2-CD1 4.23Å; V124-L257 HydrophobicContact CG2-CD2 4.37Å
125R98.7Very high98.5Very high180 Ų18061 Ų6168%0.67932%0.317SS*.Hα-helixtrans-67.5-40.9178.6-76.6171.9-169.3119.35.6112.1A121 D122A121-R125 VanDerWaalsContact O-CG 3.25Å; A121-R125 WeakPolarHBondContact O-CG 3.32Å; A121-R125 PolarHBondContact O-N 3.44Å; A121-R125 VanDerWaalsContact O-N 3.15Å; D122-R125 PolarHBondContact O-N 2.83Å; D122-R125 IonicContact OD1-CZ 3Å; D122-R125 IonicContact OD1-NH1 3.6Å; D122-R125 PolarHBondContact OD1-NH1 3.09Å
126E98.6Very high98.4Very high98 Ų9856.8 Ų56.846%0.45832%0.319SS..Hα-helixtrans-96.8-17.1-169.8-60.8-179.1-152.800112.6D122 R128D122-E126 WeakPolarHBondContact O-CB 3.25Å; D122-E126 WeakPolarHBondContact O-CG 3.4Å; D122-E126 PolarHBondContact O-N 3.39Å; E126-R128 HydrophobicContact CB-CG 3.93Å; E126-R128 IonicContact OE2-CZ 3.68Å; E126-R128 IonicContact OE2-NE 2.9Å; E126-R128 PolarHBondContact OE2-NE 3.26Å; E126-R128 IonicContact OE2-NH2 3.69Å; E126-R128 PolarHBondContact OE2-NH2 3.17Å
127G98.3Very high98.4Very high54 Ų5458.6 Ų58.656%0.55733%0.33SS*.THydrogen-bonded Turntrans69.731.8178.400000113.3A123A123-G127 WeakPolarHBondContact O-CA 3.37Å; A123-G127 PolarHBondContact O-N 3.39Å
128R98.1Very high98.3Very high106 Ų10658.6 Ų58.640%0.434%0.34SS..SBendtrans-147.1167.3-175.966.9-178.8-176.390.3-5.1112.5A123 E126 Q130 E133 L257A123-R128 WeakPolarHBondContact CA-O 3.28Å; A123-R128 PolarHBondContact O-N 2.85Å; E126-R128 HydrophobicContact CB-CG 3.93Å; E126-R128 IonicContact OE2-CZ 3.68Å; E126-R128 IonicContact OE2-NE 2.9Å; E126-R128 PolarHBondContact OE2-NE 3.26Å; E126-R128 IonicContact OE2-NH2 3.69Å; E126-R128 PolarHBondContact OE2-NH2 3.17Å; R128-Q130 PolarHBondContact O-OE1 2.98Å; R128-Q130 VanDerWaalsContact O-OE1 3.05Å; R128-E133 IonicContact CZ-OE1 2.69Å; R128-E133 VanDerWaalsContact CZ-OE1 3.25Å; R128-E133 IonicContact NH1-OE1 2.96Å; R128-E133 PolarHBondContact NH1-OE1 2.93Å; R128-E133 IonicContact NH1-OE2 3.86Å; R128-E133 IonicContact NH2-OE1 2.65Å; R128-E133 PolarHBondContact NH2-OE1 3.09Å; R128-L257 CarbonylContact C-O 3.58Å
129N98.4Very high98.2Very high23 Ų2356.2 Ų56.212%0.12331%0.314CS..  trans-74.3162.61767176.7000112.9L257 V258 T260N129-L257 WeakPolarHBondContact CA-O 3.32Å; N129-L257 PolarHBondContact N-O 2.95Å; N129-V258 WeakPolarHBondContact CA-O 3.31Å; N129-V258 WeakPolarHBondContact CB-O 3.37Å; N129-T260 WeakPolarHBondContact CB-O 2.97Å; N129-T260 PolarHBondContact ND2-O 2.97Å
130Q98.4Very high97.9Very high1 Ų161.6 Ų61.61%0.00534%0.339CS..  trans-11928-170.6-54-59122.600113.9H119 A123 R128 L132 E133 T134 V258H119-Q130 HydrophobicContact CB-CB 3.89Å; H119-Q130 HydrophobicContact CB-CG 3.8Å; A123-Q130 HydrophobicContact CB-CG 3.73Å; R128-Q130 PolarHBondContact O-OE1 2.98Å; R128-Q130 VanDerWaalsContact O-OE1 3.05Å; Q130-L132 PolarHBondContact O-N 3.23Å; Q130-E133 VanDerWaalsContact CA-OE2 3.28Å; Q130-E133 WeakPolarHBondContact CA-OE2 3.49Å; Q130-E133 PolarHBondContact O-N 3Å; Q130-T134 WeakPolarHBondContact O-CB 3.38Å; Q130-T134 PolarHBondContact O-N 3.3Å; Q130-T134 PolarHBondContact O-OG1 3.28Å; Q130-V258 PolarHBondContact N-O 3.32Å; Q130-V258 VanDerWaalsContact N-O 3.15Å
131Y98.3Very high97.7Very high6 Ų664.7 Ų64.72%0.02435%0.352CS..Hα-helixtrans-62-41.7-177.8-95-88.1000112.9T134 F135 V137 A139 A145 I146 Q259Y131-T134 PolarHBondContact O-N 3.17Å; Y131-F135 AromaticContact CD1-CD2 3.67Å; Y131-F135 HydrophobicContact CD1-CD2 3.67Å; Y131-F135 AromaticContact CD1-CE2 3.97Å; Y131-F135 HydrophobicContact CD1-CE2 3.97Å; Y131-F135 HydrophobicContact CE1-CD2 4.1Å; Y131-F135 AromaticContact CE1-CE2 3.98Å; Y131-F135 HydrophobicContact CE1-CE2 3.98Å; Y131-F135 HydrophobicContact CG-CD2 4.46Å; Y131-F135 PolarHBondContact O-N 3.18Å; Y131-V137 CarbonylContact C-O 3.53Å; Y131-A139 HydrophobicContact CG-CB 4.36Å; Y131-A145 HydrophobicContact CD1-CB 3.92Å; Y131-A145 HydrophobicContact CE1-CB 4.45Å; Y131-A145 HydrophobicContact CG-CB 4.12Å; Y131-I146 HydrophobicContact CE1-CG1 4.5Å; Y131-I146 HydrophobicContact CE2-CG1 4.48Å; Y131-Q259 WeakPolarHBondContact CD2-O 3.34Å; Y131-Q259 HydrophobicContact CE2-CB 3.97Å; Y131-Q259 WeakPolarHBondContact CE2-O 3.41Å
132L98Very high97.4Very high92 Ų9262.1 Ų62.148%0.48233%0.331SS..Hα-helixtrans-65.3-43.2179.4-179.163.4000110.9Q130 G136 V137 P138Q130-L132 PolarHBondContact O-N 3.23Å; L132-G136 WeakPolarHBondContact O-CA 3.34Å; L132-G136 PolarHBondContact O-N 3.42Å; L132-V137 VanDerWaalsContact CA-O 3.31Å; L132-V137 WeakPolarHBondContact CA-O 3.31Å; L132-V137 PolarHBondContact N-O 2.85Å; L132-P138 HydrophobicContact CD1-CG 4.5Å
133E98.1Very high97.2Very high70 Ų7062 Ų6233%0.32733%0.328SS..Hα-helixtrans-71.2-34.3-179.1-63.477.6-175.100111.9R128 Q130R128-E133 IonicContact CZ-OE1 2.69Å; R128-E133 VanDerWaalsContact CZ-OE1 3.25Å; R128-E133 IonicContact NH1-OE1 2.96Å; R128-E133 PolarHBondContact NH1-OE1 2.93Å; R128-E133 IonicContact NH1-OE2 3.86Å; R128-E133 IonicContact NH2-OE1 2.65Å; R128-E133 PolarHBondContact NH2-OE1 3.09Å; Q130-E133 VanDerWaalsContact CA-OE2 3.28Å; Q130-E133 WeakPolarHBondContact CA-OE2 3.49Å; Q130-E133 PolarHBondContact O-N 3Å
134T98.3Very high96.9Very high12 Ų1266.3 Ų66.37%0.07435%0.354CS..Hα-helixtrans-85.1-39.1-175.8-52.70000112.8R115 H119 Q130 Y131R115-T134 HydrophobicContact CB-CG2 3.64Å; H119-T134 PolarHBondContact CD2-OG1 2.74Å; Q130-T134 WeakPolarHBondContact O-CB 3.38Å; Q130-T134 PolarHBondContact O-N 3.3Å; Q130-T134 PolarHBondContact O-OG1 3.28Å; Y131-T134 PolarHBondContact O-N 3.17Å
135F97.9Very high96.8Very high44 Ų4462.1 Ų62.119%0.19333%0.329CS..Hα-helixtrans-123.8-6.2-170.9-54.5-69000114.3R115 C116 Y131 V137R115-F135 HydrophobicContact CB-CE1 4.34Å; R115-F135 HydrophobicContact CB-CZ 4.32Å; C116-F135 WeakPolarHBondContact SG-CE2 3.46Å; Y131-F135 AromaticContact CD1-CD2 3.67Å; Y131-F135 HydrophobicContact CD1-CD2 3.67Å; Y131-F135 AromaticContact CD1-CE2 3.97Å; Y131-F135 HydrophobicContact CD1-CE2 3.97Å; Y131-F135 HydrophobicContact CE1-CD2 4.1Å; Y131-F135 AromaticContact CE1-CE2 3.98Å; Y131-F135 HydrophobicContact CE1-CE2 3.98Å; Y131-F135 HydrophobicContact CG-CD2 4.46Å; Y131-F135 PolarHBondContact O-N 3.18Å; F135-V137 HydrophobicContact CB-CB 4.49Å; F135-V137 HydrophobicContact CB-CG2 4.1Å; F135-V137 PolarHBondContact O-N 2.9Å
136G97.9Very high96.6Very high57 Ų5754.2 Ų54.259%0.58830%0.3SS*.SBendtrans70.317.6-173.900000113.6L132L132-G136 WeakPolarHBondContact O-CA 3.34Å; L132-G136 PolarHBondContact O-N 3.42Å
137V97.4Very high96.5Very high37 Ų3753.3 Ų53.322%0.22429%0.293CS..  trans-109.1122.5-176.2-1780000109.9Y131 L132 F135 A145 R148Y131-V137 CarbonylContact C-O 3.53Å; L132-V137 VanDerWaalsContact CA-O 3.31Å; L132-V137 WeakPolarHBondContact CA-O 3.31Å; L132-V137 PolarHBondContact N-O 2.85Å; F135-V137 HydrophobicContact CB-CB 4.49Å; F135-V137 HydrophobicContact CB-CG2 4.1Å; F135-V137 PolarHBondContact O-N 2.9Å; V137-A145 HydrophobicContact CG1-CB 4.14Å; V137-R148 HydrophobicContact CG1-CB 4.27Å; V137-R148 HydrophobicContact CG2-CB 4.37Å
138P96.5Very high96.4Very high79 Ų7955.4 Ų55.451%0.51328%0.284SS..  trans-60.4140.2175-21.932.9000112L132L132-P138 HydrophobicContact CD1-CG 4.5Å
139A96.1Very high96.3Very high18 Ų1852.7 Ų52.715%0.14928%0.281CS..  trans-120.830.4-177.500000113.5Y131 E141 A145Y131-A139 HydrophobicContact CG-CB 4.36Å; A139-E141 PolarHBondContact O-N 3.07Å; A139-A145 HydrophobicContact CB-CB 3.74Å
140E93.5Very high96.2Very high172 Ų17259 Ų5980%0.80431%0.31SS*.SBendtrans-61.5-34.8172.1-64.6175.4-158.100111.5
141E93.4Very high96.1Very high111 Ų11161.3 Ų61.352%0.51933%0.334SS..SBendtrans-112.393.8169.4-69.9-70171.500108.5A139 F143 T144 A145A139-E141 PolarHBondContact O-N 3.07Å; E141-F143 VanDerWaalsContact C-N 3.34Å; E141-F143 PolarHBondContact O-N 2.82Å; E141-F143 VanDerWaalsContact O-N 3.12Å; E141-T144 HydrophobicContact CB-CG2 3.8Å; E141-T144 WeakPolarHBondContact O-CB 3.4Å; E141-T144 PolarHBondContact O-N 2.89Å; E141-T144 PolarHBondContact O-OG1 3.35Å; E141-A145 PolarHBondContact O-N 3.07Å
142L93.7Very high95.9Very high0 Ų063.6 Ų63.60%035%0.345CS..Hα-helixtrans-43.5-51.7-168.4178.260.4000114.3T144 A145 I146 D209 W210 Q259 T260L142-T144 VanDerWaalsContact C-N 3.29Å; L142-T144 PolarHBondContact O-N 3.34Å; L142-A145 WeakPolarHBondContact O-CB 3.42Å; L142-A145 PolarHBondContact O-N 3.32Å; L142-A145 VanDerWaalsContact O-N 3.12Å; L142-I146 HydrophobicContact CD1-CD1 4.02Å; L142-I146 HydrophobicContact CD1-CG1 4.37Å; L142-I146 HydrophobicContact CD2-CD1 4.46Å; L142-I146 HydrophobicContact CG-CD1 3.83Å; L142-I146 WeakPolarHBondContact O-CG1 3.46Å; L142-I146 PolarHBondContact O-N 3.46Å; L142-D209 HydrophobicContact CD2-CB 4.27Å; L142-W210 HydrophobicContact CB-CH2 4.06Å; L142-W210 HydrophobicContact CB-CZ3 3.9Å; L142-W210 HydrophobicContact CD2-CE3 4.27Å; L142-W210 HydrophobicContact CD2-CH2 4.11Å; L142-W210 HydrophobicContact CD2-CZ3 3.82Å; L142-Q259 WeakPolarHBondContact CD1-O 3.25Å; L142-T260 HydrophobicContact CD2-CG2 4.45Å
143F93.5Very high95.9Very high55 Ų5564.5 Ų64.524%0.24134%0.342CS..Hα-helixtrans-71.7-20.4-176.1-80-75.5000114E141 A145 I146 Y147 F156 W210E141-F143 VanDerWaalsContact C-N 3.34Å; E141-F143 PolarHBondContact O-N 2.82Å; E141-F143 VanDerWaalsContact O-N 3.12Å; F143-A145 VanDerWaalsContact C-N 3.33Å; F143-I146 HydrophobicContact CD1-CB 4.44Å; F143-I146 HydrophobicContact CD1-CD1 3.86Å; F143-I146 HydrophobicContact CE1-CD1 3.95Å; F143-I146 HydrophobicContact CG-CD1 4.43Å; F143-Y147 HydrophobicContact CB-CD2 4.16Å; F143-Y147 HydrophobicContact CB-CE2 4Å; F143-Y147 HydrophobicContact CD1-CD2 4.36Å; F143-Y147 HydrophobicContact CD1-CE1 4.16Å; F143-Y147 AromaticContact CD1-CE2 3.57Å; F143-Y147 HydrophobicContact CD1-CE2 3.57Å; F143-Y147 AromaticContact CD1-CZ 3.44Å; F143-Y147 VanDerWaalsContact CD1-CZ 3.44Å; F143-Y147 WeakPolarHBondContact CD1-OH 3.49Å; F143-Y147 HydrophobicContact CE1-CE2 4.45Å; F143-Y147 AromaticContact CE1-CZ 3.98Å; F143-Y147 WeakPolarHBondContact CE1-OH 3.5Å; F143-Y147 HydrophobicContact CG-CE2 4.16Å; F143-Y147 WeakPolarHBondContact O-CB 3.34Å; F143-Y147 VanDerWaalsContact O-CD2 3.28Å; F143-Y147 WeakPolarHBondContact O-CD2 3.44Å; F143-Y147 VanDerWaalsContact O-CG 3.25Å; F143-Y147 PolarHBondContact O-N 2.99Å; F143-F156 HydrophobicContact CE1-CZ 4.3Å; F143-W210 AromaticContact CD2-CH2 3.86Å; F143-W210 HydrophobicContact CD2-CH2 3.86Å; F143-W210 AromaticContact CD2-CZ2 3.78Å; F143-W210 HydrophobicContact CD2-CZ2 3.78Å; F143-W210 AromaticContact CE2-CH2 3.93Å; F143-W210 HydrophobicContact CE2-CH2 3.93Å; F143-W210 AromaticContact CE2-CZ2 3.46Å; F143-W210 HydrophobicContact CE2-CZ2 3.46Å; F143-W210 VanDerWaalsContact CE2-CZ2 3.46Å
144T93.9Very high95.8Very high90 Ų9065.7 Ų65.755%0.55235%0.35SS*.Hα-helixtrans-70.6-33.1171.169.20000111.6E141 L142 Y147 R148E141-T144 HydrophobicContact CB-CG2 3.8Å; E141-T144 WeakPolarHBondContact O-CB 3.4Å; E141-T144 PolarHBondContact O-N 2.89Å; E141-T144 PolarHBondContact O-OG1 3.35Å; L142-T144 VanDerWaalsContact C-N 3.29Å; L142-T144 PolarHBondContact O-N 3.34Å; T144-Y147 CarbonylContact O-C 3.59Å; T144-R148 PolarHBondContact O-N 3.41Å
145A96.2Very high95.7Very high0 Ų066.6 Ų66.60%035%0.354CS..Hα-helixtrans-73.1-39.6173.200000112.2Y131 V137 A139 E141 L142 F143 R148Y131-A145 HydrophobicContact CD1-CB 3.92Å; Y131-A145 HydrophobicContact CE1-CB 4.45Å; Y131-A145 HydrophobicContact CG-CB 4.12Å; V137-A145 HydrophobicContact CG1-CB 4.14Å; A139-A145 HydrophobicContact CB-CB 3.74Å; E141-A145 PolarHBondContact O-N 3.07Å; L142-A145 WeakPolarHBondContact O-CB 3.42Å; L142-A145 PolarHBondContact O-N 3.32Å; L142-A145 VanDerWaalsContact O-N 3.12Å; F143-A145 VanDerWaalsContact C-N 3.33Å; A145-R148 WeakPolarHBondContact O-CB 3.46Å
146I95.1Very high95.6Very high14 Ų1465.6 Ų65.67%0.07235%0.349CS..Hα-helixtrans-64.9-43.9174.8-62.4170.8000110.4Y131 L142 F143 R148 F156Y131-I146 HydrophobicContact CE1-CG1 4.5Å; Y131-I146 HydrophobicContact CE2-CG1 4.48Å; L142-I146 HydrophobicContact CD1-CD1 4.02Å; L142-I146 HydrophobicContact CD1-CG1 4.37Å; L142-I146 HydrophobicContact CD2-CD1 4.46Å; L142-I146 HydrophobicContact CG-CD1 3.83Å; L142-I146 WeakPolarHBondContact O-CG1 3.46Å; L142-I146 PolarHBondContact O-N 3.46Å; F143-I146 HydrophobicContact CD1-CB 4.44Å; F143-I146 HydrophobicContact CD1-CD1 3.86Å; F143-I146 HydrophobicContact CE1-CD1 3.95Å; F143-I146 HydrophobicContact CG-CD1 4.43Å; I146-R148 VanDerWaalsContact C-N 3.33Å; I146-R148 PolarHBondContact O-N 3.1Å; I146-F156 HydrophobicContact CG2-CD2 3.5Å; I146-F156 HydrophobicContact CG2-CE2 3.55Å; I146-F156 HydrophobicContact CG2-CG 4.14Å; I146-F156 HydrophobicContact CG2-CZ 4.2Å
147Y95.9Very high95.5Very high79 Ų7968 Ų6831%0.3135%0.347SS..THydrogen-bonded Turntrans-95.839.4-178.3-54-28000113.2F143 T144 S149 R153 F156F143-Y147 HydrophobicContact CB-CD2 4.16Å; F143-Y147 HydrophobicContact CB-CE2 4Å; F143-Y147 HydrophobicContact CD1-CD2 4.36Å; F143-Y147 HydrophobicContact CD1-CE1 4.16Å; F143-Y147 AromaticContact CD1-CE2 3.57Å; F143-Y147 HydrophobicContact CD1-CE2 3.57Å; F143-Y147 AromaticContact CD1-CZ 3.44Å; F143-Y147 VanDerWaalsContact CD1-CZ 3.44Å; F143-Y147 WeakPolarHBondContact CD1-OH 3.49Å; F143-Y147 HydrophobicContact CE1-CE2 4.45Å; F143-Y147 AromaticContact CE1-CZ 3.98Å; F143-Y147 WeakPolarHBondContact CE1-OH 3.5Å; F143-Y147 HydrophobicContact CG-CE2 4.16Å; F143-Y147 WeakPolarHBondContact O-CB 3.34Å; F143-Y147 VanDerWaalsContact O-CD2 3.28Å; F143-Y147 WeakPolarHBondContact O-CD2 3.44Å; F143-Y147 VanDerWaalsContact O-CG 3.25Å; F143-Y147 PolarHBondContact O-N 2.99Å; T144-Y147 CarbonylContact O-C 3.59Å; Y147-S149 PolarHBondContact O-N 3.41Å; Y147-R153 HydrophobicContact CD1-CB 4.03Å; Y147-R153 HydrophobicContact CD1-CG 3.85Å; Y147-R153 HydrophobicContact CD2-CG 4.31Å; Y147-R153 HydrophobicContact CE1-CG 4.34Å; Y147-R153 HydrophobicContact CG-CB 4.11Å; Y147-R153 HydrophobicContact CG-CG 3.86Å; Y147-F156 HydrophobicContact CD1-CD1 4.49Å; Y147-F156 HydrophobicContact CD1-CG 4.48Å; Y147-F156 HydrophobicContact CE1-CB 4.18Å; Y147-F156 AromaticContact CE1-CD1 3.41Å; Y147-F156 HydrophobicContact CE1-CD1 3.41Å; Y147-F156 VanDerWaalsContact CE1-CD1 3.41Å; Y147-F156 HydrophobicContact CE1-CD2 4.33Å; Y147-F156 AromaticContact CE1-CE1 3.73Å; Y147-F156 HydrophobicContact CE1-CE1 3.73Å; Y147-F156 AromaticContact CE1-CG 3.73Å; Y147-F156 HydrophobicContact CE1-CG 3.73Å; Y147-F156 HydrophobicContact CE1-CZ 4.33Å; Y147-F156 AromaticContact CZ-CD1 4Å; Y147-F156 AromaticContact CZ-CE1 3.94Å; Y147-F156 VanDerWaalsContact OH-CE1 3.22Å; Y147-F156 WeakPolarHBondContact OH-CE1 3.32Å
148R95.1Very high95.5Very high97 Ų9769.8 Ų69.837%0.36635%0.353SS..SBendtrans-61.4-9.6-174.167.1-172.3173.166.76.9115.4V137 T144 A145 I146 E152V137-R148 HydrophobicContact CG1-CB 4.27Å; V137-R148 HydrophobicContact CG2-CB 4.37Å; T144-R148 PolarHBondContact O-N 3.41Å; A145-R148 WeakPolarHBondContact O-CB 3.46Å; I146-R148 VanDerWaalsContact C-N 3.33Å; I146-R148 PolarHBondContact O-N 3.1Å; R148-E152 WeakPolarHBondContact CG-OE2 3.45Å; R148-E152 IonicContact CZ-OE1 3.24Å; R148-E152 IonicContact CZ-OE2 3.64Å; R148-E152 IonicContact NE-OE1 2.9Å; R148-E152 IonicContact NE-OE2 2.82Å; R148-E152 IonicContact NH1-OE1 3.21Å; R148-E152 PolarHBondContact NH1-OE1 3.04Å; R148-E152 IonicContact NH1-OE2 3.94Å; R148-E152 PolarHBondContact NH1-OE2 3.07Å; R148-E152 IonicContact NH2-OE1 3.16Å; R148-E152 PolarHBondContact NH2-OE1 3.24Å; R148-E152 IonicContact NH2-OE2 3.75Å
149S96.7Very high95.6Very high49 Ų4966.1 Ų66.134%0.34333%0.329SS..SBendtrans-151.1164165.170.60000111.7Y147 G151 E152 R153Y147-S149 PolarHBondContact O-N 3.41Å; S149-G151 VanDerWaalsContact C-N 3.32Å; S149-G151 PolarHBondContact O-N 3.06Å; S149-E152 WeakPolarHBondContact CB-OE2 3.44Å; S149-E152 PolarHBondContact N-OE2 3.28Å; S149-E152 PolarHBondContact O-N 3.31Å; S149-E152 WeakPolarHBondContact OG-CB 3.49Å; S149-E152 PolarHBondContact OG-N 3.11Å; S149-E152 PolarHBondContact OG-OE2 3.35Å; S149-R153 PolarHBondContact O-N 3.2Å
150E95.8Very high95.6Very high155 Ų15567 Ų6772%0.72433%0.33SS*.Hα-helixtrans-60-40.9176.1-70.8-161.7148.800112.9R153 L154E150-R153 PolarHBondContact O-N 2.92Å; E150-L154 PolarHBondContact O-N 3.31Å
151G96.1Very high95.6Very high50 Ų5064.6 Ų64.652%0.51532%0.32SS..Hα-helixtrans-65.5-38.1178.700000112.5S149 L154 Q155S149-G151 VanDerWaalsContact C-N 3.32Å; S149-G151 PolarHBondContact O-N 3.06Å; G151-L154 PolarHBondContact O-N 3.03Å; G151-Q155 WeakPolarHBondContact O-CB 3.31Å; G151-Q155 PolarHBondContact O-N 2.82Å
152E95.5Very high95.8Very high54 Ų5460.3 Ų60.325%0.25230%0.299SS..Hα-helixtrans-74.2-34.9177.2-77.5144.8176.400112.8R148 S149 Q155 F156R148-E152 WeakPolarHBondContact CG-OE2 3.45Å; R148-E152 IonicContact CZ-OE1 3.24Å; R148-E152 IonicContact CZ-OE2 3.64Å; R148-E152 IonicContact NE-OE1 2.9Å; R148-E152 IonicContact NE-OE2 2.82Å; R148-E152 IonicContact NH1-OE1 3.21Å; R148-E152 PolarHBondContact NH1-OE1 3.04Å; R148-E152 IonicContact NH1-OE2 3.94Å; R148-E152 PolarHBondContact NH1-OE2 3.07Å; R148-E152 IonicContact NH2-OE1 3.16Å; R148-E152 PolarHBondContact NH2-OE1 3.24Å; R148-E152 IonicContact NH2-OE2 3.75Å; S149-E152 WeakPolarHBondContact CB-OE2 3.44Å; S149-E152 PolarHBondContact N-OE2 3.28Å; S149-E152 PolarHBondContact O-N 3.31Å; S149-E152 WeakPolarHBondContact OG-CB 3.49Å; S149-E152 PolarHBondContact OG-N 3.11Å; S149-E152 PolarHBondContact OG-OE2 3.35Å; E152-Q155 PolarHBondContact O-N 3.11Å; E152-F156 WeakPolarHBondContact O-CB 3.25Å; E152-F156 PolarHBondContact O-N 3.24Å
153R96.4Very high96Very high112 Ų11261 Ų6142%0.42330%0.303SS..Hα-helixtrans-60.1-47169.4-176.1-179.260.3163.2-5111.1Y147 S149 E150 Q155 F156 M157Y147-R153 HydrophobicContact CD1-CB 4.03Å; Y147-R153 HydrophobicContact CD1-CG 3.85Å; Y147-R153 HydrophobicContact CD2-CG 4.31Å; Y147-R153 HydrophobicContact CE1-CG 4.34Å; Y147-R153 HydrophobicContact CG-CB 4.11Å; Y147-R153 HydrophobicContact CG-CG 3.86Å; S149-R153 PolarHBondContact O-N 3.2Å; E150-R153 PolarHBondContact O-N 2.92Å; R153-Q155 VanDerWaalsContact C-N 3.35Å; R153-Q155 PolarHBondContact O-N 3.06Å; R153-F156 PolarHBondContact O-N 3.34Å; R153-M157 HydrophobicContact CG-SD 4.13Å; R153-M157 VanDerWaalsContact O-CG 3.29Å; R153-M157 WeakPolarHBondContact O-CG 3.45Å; R153-M157 PolarHBondContact O-N 3.24Å
154L96.1Very high96.2Very high95 Ų9562 Ų6250%0.49731%0.306SS..Hα-helixtrans-60.1-45.8176.3178.561.2000111.3E150 G151 F156 M157 Q158E150-L154 PolarHBondContact O-N 3.31Å; G151-L154 PolarHBondContact O-N 3.03Å; L154-F156 VanDerWaalsContact C-N 3.33Å; L154-F156 PolarHBondContact O-N 3.33Å; L154-M157 PolarHBondContact O-N 3.18Å; L154-Q158 HydrophobicContact CD1-CG 4.18Å; L154-Q158 HydrophobicContact CG-CG 4.48Å; L154-Q158 WeakPolarHBondContact O-CB 3.4Å; L154-Q158 VanDerWaalsContact O-CG 3.3Å; L154-Q158 WeakPolarHBondContact O-CG 3.33Å; L154-Q158 PolarHBondContact O-N 3.39Å
155Q96.4Very high96.3Very high31 Ų3160.4 Ų60.415%0.14530%0.298CS..Hα-helixtrans-61.3-40.3177.7-179.763.89100112.2S104 Y108 R111 G151 E152 R153 A159S104-Q155 PolarHBondContact O-NE2 2.94Å; Y108-Q155 HydrophobicContact CD2-CG 4.38Å; R111-Q155 VanDerWaalsContact NH1-OE1 3.13Å; G151-Q155 WeakPolarHBondContact O-CB 3.31Å; G151-Q155 PolarHBondContact O-N 2.82Å; E152-Q155 PolarHBondContact O-N 3.11Å; R153-Q155 VanDerWaalsContact C-N 3.35Å; R153-Q155 PolarHBondContact O-N 3.06Å; Q155-A159 VanDerWaalsContact O-CB 3.24Å; Q155-A159 WeakPolarHBondContact O-CB 3.49Å; Q155-A159 PolarHBondContact O-N 3.4Å
156F96.8Very high96.3Very high23 Ų2362.9 Ų62.910%0.10131%0.313CS..Hα-helixtrans-63.2-48.8174.9177.8-85.8000111.3Y108 F143 I146 Y147 E152 R153 L154 Q158 A159 L160Y108-F156 HydrophobicContact CE1-CD2 4.41Å; Y108-F156 HydrophobicContact CE2-CB 4.15Å; Y108-F156 AromaticContact CE2-CD2 3.78Å; Y108-F156 HydrophobicContact CE2-CD2 3.78Å; Y108-F156 HydrophobicContact CE2-CG 4.46Å; Y108-F156 AromaticContact CZ-CD2 3.64Å; F143-F156 HydrophobicContact CE1-CZ 4.3Å; I146-F156 HydrophobicContact CG2-CD2 3.5Å; I146-F156 HydrophobicContact CG2-CE2 3.55Å; I146-F156 HydrophobicContact CG2-CG 4.14Å; I146-F156 HydrophobicContact CG2-CZ 4.2Å; Y147-F156 HydrophobicContact CD1-CD1 4.49Å; Y147-F156 HydrophobicContact CD1-CG 4.48Å; Y147-F156 HydrophobicContact CE1-CB 4.18Å; Y147-F156 AromaticContact CE1-CD1 3.41Å; Y147-F156 HydrophobicContact CE1-CD1 3.41Å; Y147-F156 VanDerWaalsContact CE1-CD1 3.41Å; Y147-F156 HydrophobicContact CE1-CD2 4.33Å; Y147-F156 AromaticContact CE1-CE1 3.73Å; Y147-F156 HydrophobicContact CE1-CE1 3.73Å; Y147-F156 AromaticContact CE1-CG 3.73Å; Y147-F156 HydrophobicContact CE1-CG 3.73Å; Y147-F156 HydrophobicContact CE1-CZ 4.33Å; Y147-F156 AromaticContact CZ-CD1 4Å; Y147-F156 AromaticContact CZ-CE1 3.94Å; Y147-F156 VanDerWaalsContact OH-CE1 3.22Å; Y147-F156 WeakPolarHBondContact OH-CE1 3.32Å; E152-F156 WeakPolarHBondContact O-CB 3.25Å; E152-F156 PolarHBondContact O-N 3.24Å; R153-F156 PolarHBondContact O-N 3.34Å; L154-F156 VanDerWaalsContact C-N 3.33Å; L154-F156 PolarHBondContact O-N 3.33Å; F156-Q158 VanDerWaalsContact C-N 3.33Å; F156-Q158 PolarHBondContact O-N 3Å; F156-A159 WeakPolarHBondContact O-CB 3.44Å; F156-A159 PolarHBondContact O-N 2.69Å; F156-A159 VanDerWaalsContact O-N 3.17Å; F156-L160 HydrophobicContact CD1-CD1 3.94Å; F156-L160 HydrophobicContact CD1-CD2 4.26Å; F156-L160 HydrophobicContact CD2-CD1 3.78Å; F156-L160 HydrophobicContact CE1-CD1 3.77Å; F156-L160 HydrophobicContact CE1-CD2 3.4Å; F156-L160 HydrophobicContact CE1-CG 4.1Å; F156-L160 HydrophobicContact CE2-CD1 3.57Å; F156-L160 HydrophobicContact CE2-CD2 4.23Å; F156-L160 HydrophobicContact CG-CD1 3.97Å; F156-L160 HydrophobicContact CZ-CD1 3.58Å; F156-L160 HydrophobicContact CZ-CD2 3.38Å; F156-L160 HydrophobicContact CZ-CG 4.1Å; F156-L160 VanDerWaalsContact O-CD1 3.31Å; F156-L160 WeakPolarHBondContact O-CD1 3.13Å; F156-L160 PolarHBondContact O-N 3.15Å
157M96.3Very high96.4Very high108 Ų10863 Ų6353%0.53231%0.314SS..Hα-helixtrans-59.8-44.7178.8-69.4172.669.500111.5R153 L154 A159 L160 Q161R153-M157 HydrophobicContact CG-SD 4.13Å; R153-M157 VanDerWaalsContact O-CG 3.29Å; R153-M157 WeakPolarHBondContact O-CG 3.45Å; R153-M157 PolarHBondContact O-N 3.24Å; L154-M157 PolarHBondContact O-N 3.18Å; M157-A159 VanDerWaalsContact C-N 3.34Å; M157-A159 PolarHBondContact O-N 3.33Å; M157-L160 PolarHBondContact O-N 2.73Å; M157-Q161 PolarHBondContact O-N 3.41Å
158Q97Very high96.5Very high74 Ų7459.7 Ų59.735%0.34630%0.304SS..Hα-helixtrans-63.7-37.9175.9-72.5172.6-36.700112.5L154 F156 Q161 E162L154-Q158 HydrophobicContact CD1-CG 4.18Å; L154-Q158 HydrophobicContact CG-CG 4.48Å; L154-Q158 WeakPolarHBondContact O-CB 3.4Å; L154-Q158 VanDerWaalsContact O-CG 3.3Å; L154-Q158 WeakPolarHBondContact O-CG 3.33Å; L154-Q158 PolarHBondContact O-N 3.39Å; F156-Q158 VanDerWaalsContact C-N 3.33Å; F156-Q158 PolarHBondContact O-N 3Å; Q158-Q161 WeakPolarHBondContact O-CG 3.45Å; Q158-E162 WeakPolarHBondContact O-CG 3.24Å
159A97.5Very high96.6Very high1 Ų165 Ų651%0.00832%0.324CS..Hα-helixtrans-67.1-44.4176.700000112.3M105 Y108 Q155 F156 M157 Q161 E162M105-A159 HydrophobicContact CB-CB 4.31Å; M105-A159 HydrophobicContact SD-CB 3.93Å; Y108-A159 HydrophobicContact CG-CB 4.1Å; Q155-A159 VanDerWaalsContact O-CB 3.24Å; Q155-A159 WeakPolarHBondContact O-CB 3.49Å; Q155-A159 PolarHBondContact O-N 3.4Å; F156-A159 WeakPolarHBondContact O-CB 3.44Å; F156-A159 PolarHBondContact O-N 2.69Å; F156-A159 VanDerWaalsContact O-N 3.17Å; M157-A159 VanDerWaalsContact C-N 3.34Å; M157-A159 PolarHBondContact O-N 3.33Å; A159-Q161 PolarHBondContact O-N 2.75Å; A159-E162 PolarHBondContact O-N 3.49Å
160L95.9Very high96.6Very high36 Ų3665 Ų6519%0.18832%0.323CS..Hα-helixtrans-71.7-31.2-174.1-94.371.3000113.5F156 M157 E162F156-L160 HydrophobicContact CD1-CD1 3.94Å; F156-L160 HydrophobicContact CD1-CD2 4.26Å; F156-L160 HydrophobicContact CD2-CD1 3.78Å; F156-L160 HydrophobicContact CE1-CD1 3.77Å; F156-L160 HydrophobicContact CE1-CD2 3.4Å; F156-L160 HydrophobicContact CE1-CG 4.1Å; F156-L160 HydrophobicContact CE2-CD1 3.57Å; F156-L160 HydrophobicContact CE2-CD2 4.23Å; F156-L160 HydrophobicContact CG-CD1 3.97Å; F156-L160 HydrophobicContact CZ-CD1 3.58Å; F156-L160 HydrophobicContact CZ-CD2 3.38Å; F156-L160 HydrophobicContact CZ-CG 4.1Å; F156-L160 VanDerWaalsContact O-CD1 3.31Å; F156-L160 WeakPolarHBondContact O-CD1 3.13Å; F156-L160 PolarHBondContact O-N 3.15Å; M157-L160 PolarHBondContact O-N 2.73Å; L160-E162 VanDerWaalsContact C-N 3.31Å; L160-E162 PolarHBondContact O-N 2.95Å
161Q95.1Very high96.7Very high123 Ų12357.7 Ų57.758%0.57529%0.289SS*.Hα-helixtrans-68.7-27.3178.763.3173.2300113.5M157 Q158 A159 V163 W164M157-Q161 PolarHBondContact O-N 3.41Å; Q158-Q161 WeakPolarHBondContact O-CG 3.45Å; A159-Q161 PolarHBondContact O-N 2.75Å; Q161-V163 VanDerWaalsContact C-N 3.31Å; Q161-V163 PolarHBondContact O-N 2.81Å; Q161-W164 PolarHBondContact O-N 3.45Å; Q161-W164 VanDerWaalsContact O-N 3.15Å
162E97.8Very high96.8Very high20 Ų2059.2 Ų59.29%0.09329%0.285CS..THydrogen-bonded Turntrans-63.6-33.3-169.5-80177167.500113.1S101 Q102 C103 S104 M105 Q158 A159 L160 W164 S165S101-E162 WeakPolarHBondContact O-CB 3.45Å; S101-E162 VanDerWaalsContact O-CG 3.27Å; S101-E162 WeakPolarHBondContact O-CG 3.27Å; Q102-E162 VanDerWaalsContact CA-OE2 3.24Å; Q102-E162 WeakPolarHBondContact CA-OE2 3.25Å; Q102-E162 PolarHBondContact NE2-O 2.83Å; C103-E162 PolarHBondContact N-OE1 3.31Å; C103-E162 PolarHBondContact N-OE2 3.27Å; S104-E162 WeakPolarHBondContact CA-OE1 3.39Å; S104-E162 WeakPolarHBondContact CA-OE2 3.16Å; S104-E162 VanDerWaalsContact CB-CD 3.44Å; S104-E162 WeakPolarHBondContact CB-OE1 3.47Å; S104-E162 VanDerWaalsContact N-CD 3.31Å; S104-E162 PolarHBondContact N-OE1 2.9Å; S104-E162 PolarHBondContact N-OE2 2.89Å; S104-E162 PolarHBondContact OG-OE1 3.19Å; M105-E162 WeakPolarHBondContact CB-OE2 3.32Å; M105-E162 PolarHBondContact N-OE2 3.32Å; Q158-E162 WeakPolarHBondContact O-CG 3.24Å; A159-E162 PolarHBondContact O-N 3.49Å; L160-E162 VanDerWaalsContact C-N 3.31Å; L160-E162 PolarHBondContact O-N 2.95Å; E162-W164 PolarHBondContact O-N 3.32Å; E162-S165 PolarHBondContact O-N 3.28Å; E162-S165 PolarHBondContact O-OG 3.42Å
163V97.1Very high97Very high14 Ų1461.3 Ų61.39%0.08530%0.302CS..THydrogen-bonded Turntrans-69-23.8-17973.20000112.7Q161 S165 V166 N167 Y291Q161-V163 VanDerWaalsContact C-N 3.31Å; Q161-V163 PolarHBondContact O-N 2.81Å; V163-S165 VanDerWaalsContact C-N 3.29Å; V163-S165 PolarHBondContact O-N 3.28Å; V163-V166 HydrophobicContact CG2-CG2 4.35Å; V163-V166 WeakPolarHBondContact O-CG2 3.35Å; V163-V166 PolarHBondContact O-N 3.42Å; V163-N167 HydrophobicContact CG2-CB 4.47Å; V163-N167 PolarHBondContact O-N 3.02Å; V163-Y291 HydrophobicContact CB-CE2 4.21Å; V163-Y291 HydrophobicContact CG1-CD2 4.37Å; V163-Y291 HydrophobicContact CG1-CE2 3.71Å; V163-Y291 HydrophobicContact CG2-CD2 4.03Å; V163-Y291 HydrophobicContact CG2-CE2 3.57Å
164W97.6Very high97.1Very high77 Ų7757 Ų5729%0.29229%0.291SS..Hα-helixtrans-74.1-20.2-179.3-52131.1000112.8Q161 E162 V166 G168 A204 R205 I235 Y291Q161-W164 PolarHBondContact O-N 3.45Å; Q161-W164 VanDerWaalsContact O-N 3.15Å; E162-W164 PolarHBondContact O-N 3.32Å; W164-V166 PolarHBondContact O-N 3.47Å; W164-G168 VanDerWaalsContact O-CA 3.25Å; W164-G168 WeakPolarHBondContact O-CA 3.36Å; W164-G168 PolarHBondContact O-N 3.13Å; W164-A204 HydrophobicContact CH2-CB 3.97Å; W164-A204 HydrophobicContact CZ2-CB 3.89Å; W164-R205 HydrophobicContact CH2-CG 4.08Å; W164-R205 HydrophobicContact CZ2-CG 4.2Å; W164-I235 HydrophobicContact CH2-CG2 4.06Å; W164-I235 HydrophobicContact CZ3-CG2 4.02Å; W164-Y291 HydrophobicContact CH2-CD2 4.24Å; W164-Y291 HydrophobicContact CH2-CE2 4.45Å; W164-Y291 HydrophobicContact CH2-CG 4.35Å; W164-Y291 AromaticContact CZ3-CD2 3.89Å; W164-Y291 HydrophobicContact CZ3-CD2 3.89Å; W164-Y291 HydrophobicContact CZ3-CE2 4.41Å; W164-Y291 HydrophobicContact CZ3-CG 4.16Å
165S96.6Very high97.2Very high57 Ų5753.5 Ų53.540%0.39927%0.272SS..Hα-helixtrans-65.3-25.7172.970.60000112.6P99 T100 E162 V163P99-S165 WeakPolarHBondContact O-CB 3.11Å; P99-S165 PolarHBondContact O-OG 2.95Å; T100-S165 WeakPolarHBondContact CA-OG 3.28Å; E162-S165 PolarHBondContact O-N 3.28Å; E162-S165 PolarHBondContact O-OG 3.42Å; V163-S165 VanDerWaalsContact C-N 3.29Å; V163-S165 PolarHBondContact O-N 3.28Å
166V96.4Very high97.3Very high52 Ų5257.2 Ų57.232%0.31529%0.292SS..Hα-helixtrans-109-30.1-179-64.10000113.6Y93 T100 V163 W164Y93-V166 HydrophobicContact CE1-CG1 4.01Å; T100-V166 HydrophobicContact CG2-CG1 3.77Å; V163-V166 HydrophobicContact CG2-CG2 4.35Å; V163-V166 WeakPolarHBondContact O-CG2 3.35Å; V163-V166 PolarHBondContact O-N 3.42Å; W164-V166 PolarHBondContact O-N 3.47Å
167N96.7Very high97.4Very high16 Ų1657 Ų579%0.08629%0.292CS..Hα-helixtrans-109.5-14.8-177.8-68.9163.7000114.5V163 R169 S170 V171 A289 Y291V163-N167 HydrophobicContact CG2-CB 4.47Å; V163-N167 PolarHBondContact O-N 3.02Å; N167-R169 PolarHBondContact O-N 3.42Å; N167-S170 PolarHBondContact O-N 3.44Å; N167-S170 VanDerWaalsContact O-N 3.13Å; N167-V171 PolarHBondContact O-N 3.04Å; N167-A289 WeakPolarHBondContact ND2-CB 3.36Å; N167-Y291 HydrophobicContact CB-CD2 4.48Å
168G96.9Very high97.4Very high9 Ų956.2 Ų56.29%0.09330%0.297CS..Hα-helixtrans-58-44.7-173.600000113.1W164 S170 V171 L172W164-G168 VanDerWaalsContact O-CA 3.25Å; W164-G168 WeakPolarHBondContact O-CA 3.36Å; W164-G168 PolarHBondContact O-N 3.13Å; G168-S170 PolarHBondContact O-N 3.5Å; G168-V171 WeakPolarHBondContact O-CG2 3.41Å; G168-V171 PolarHBondContact O-N 3.34Å; G168-L172 WeakPolarHBondContact O-CB 2.93Å; G168-L172 VanDerWaalsContact O-CG 3.26Å; G168-L172 WeakPolarHBondContact O-CG 3.47Å; G168-L172 PolarHBondContact O-N 3.38Å
169R97.5Very high97.5Very high210 Ų21056.4 Ų56.479%0.79230%0.304SS*.Hα-helixtrans-59.9-46.3177.6-171.9178.1-179.5-168.50.6111.7N167 V171 L172 T173N167-R169 PolarHBondContact O-N 3.42Å; R169-V171 VanDerWaalsContact C-N 3.33Å; R169-V171 PolarHBondContact O-N 3.26Å; R169-L172 PolarHBondContact O-N 2.96Å; R169-T173 HydrophobicContact CG-CG2 4.27Å; R169-T173 WeakPolarHBondContact O-CG2 3.3Å; R169-T173 PolarHBondContact O-N 3.42Å; R169-T173 PolarHBondContact O-OG1 2.9Å
170S97.3Very high97.5Very high47 Ų4756.7 Ų56.733%0.32930%0.304SS..Hα-helixtrans-60.3-42-175.8-55.20000112.6N167 G168 A174N167-S170 PolarHBondContact O-N 3.44Å; N167-S170 VanDerWaalsContact O-N 3.13Å; G168-S170 PolarHBondContact O-N 3.5Å; S170-A174 PolarHBondContact O-N 3.33Å
171V98.1Very high97.6Very high2 Ų260.5 Ų60.51%0.01233%0.332CS..Hα-helixtrans-80-40.3-178-62.20000112.2N167 G168 R169 T173 A174 I235 T287 Y291N167-V171 PolarHBondContact O-N 3.04Å; G168-V171 WeakPolarHBondContact O-CG2 3.41Å; G168-V171 PolarHBondContact O-N 3.34Å; R169-V171 VanDerWaalsContact C-N 3.33Å; R169-V171 PolarHBondContact O-N 3.26Å; V171-T173 VanDerWaalsContact C-N 3.33Å; V171-T173 PolarHBondContact O-N 3.13Å; V171-A174 WeakPolarHBondContact O-CB 3.27Å; V171-A174 PolarHBondContact O-N 2.86Å; V171-I235 HydrophobicContact CB-CD1 4.16Å; V171-I235 HydrophobicContact CB-CG1 4.38Å; V171-I235 HydrophobicContact CB-CG2 3.93Å; V171-I235 HydrophobicContact CG1-CG2 3.81Å; V171-I235 HydrophobicContact CG2-CD1 3.87Å; V171-I235 HydrophobicContact CG2-CG2 4.01Å; V171-T287 HydrophobicContact CG1-CG2 4.13Å; V171-Y291 WeakPolarHBondContact CG1-O 3.43Å
172L98.3Very high97.8Very high82 Ų8258.9 Ų58.943%0.42933%0.326SS..Hα-helixtrans-75.1-20.5-177.9-64.4174.9000113.2G168 R169 L177 L233 I235G168-L172 WeakPolarHBondContact O-CB 2.93Å; G168-L172 VanDerWaalsContact O-CG 3.26Å; G168-L172 WeakPolarHBondContact O-CG 3.47Å; G168-L172 PolarHBondContact O-N 3.38Å; R169-L172 PolarHBondContact O-N 2.96Å; L172-L177 HydrophobicContact CD2-CD1 4.37Å; L172-L177 VanDerWaalsContact O-CD1 3.28Å; L172-L177 WeakPolarHBondContact O-CD1 3.37Å; L172-L233 HydrophobicContact CD2-CD2 4.35Å; L172-I235 HydrophobicContact CD2-CD1 4.3Å
173T98.4Very high97.8Very high98 Ų9861.8 Ų61.860%0.60134%0.341SS*.THydrogen-bonded Turntrans-103.77.9173.970.80000113.5R169 V171 F175R169-T173 HydrophobicContact CG-CG2 4.27Å; R169-T173 WeakPolarHBondContact O-CG2 3.3Å; R169-T173 PolarHBondContact O-N 3.42Å; R169-T173 PolarHBondContact O-OG1 2.9Å; V171-T173 VanDerWaalsContact C-N 3.33Å; V171-T173 PolarHBondContact O-N 3.13Å; T173-F175 PolarHBondContact O-N 3.5Å
174A98.5Very high97.8Very high23 Ų2362 Ų6219%0.1934%0.342CS..SBendtrans-64.3-27.2176.900000112.3S170 V171 K285 A293S170-A174 PolarHBondContact O-N 3.33Å; V171-A174 WeakPolarHBondContact O-CB 3.27Å; V171-A174 PolarHBondContact O-N 2.86Å; A174-K285 HydrophobicContact CB-CB 3.99Å; A174-K285 HydrophobicContact CB-CG 4.23Å; A174-A293 HydrophobicContact CB-CB 3.6Å
175F98.7Very high97.8Very high21 Ų2163.8 Ų63.89%0.09236%0.358CS..SBendtrans-130.1156.5173-58-81.4000109.3T173 L177 L233 Q283 K285 A293 L295T173-F175 PolarHBondContact O-N 3.5Å; F175-L177 HydrophobicContact CB-CD2 3.98Å; F175-L177 PolarHBondContact O-N 3.22Å; F175-L177 VanDerWaalsContact O-N 3.1Å; F175-L233 HydrophobicContact CD2-CD1 4.15Å; F175-L233 HydrophobicContact CE2-CD1 4.49Å; F175-Q283 HydrophobicContact CE1-CB 3.76Å; F175-Q283 HydrophobicContact CZ-CB 4.02Å; F175-K285 HydrophobicContact CE1-CG 3.92Å; F175-K285 HydrophobicContact CE2-CG 4.06Å; F175-K285 HydrophobicContact CZ-CB 4.39Å; F175-K285 HydrophobicContact CZ-CG 3.61Å; F175-A293 HydrophobicContact CD2-CB 4.26Å; F175-A293 HydrophobicContact CE2-CB 3.86Å; F175-L295 HydrophobicContact CB-CD2 3.92Å; F175-L295 HydrophobicContact CD1-CB 4.12Å; F175-L295 HydrophobicContact CD1-CD2 3.88Å; F175-L295 HydrophobicContact CD2-CB 3.78Å; F175-L295 HydrophobicContact CD2-CD2 4.32Å; F175-L295 HydrophobicContact CE1-CB 4Å; F175-L295 HydrophobicContact CE1-CD2 4.48Å; F175-L295 HydrophobicContact CE2-CB 3.65Å; F175-L295 HydrophobicContact CG-CB 4.01Å; F175-L295 HydrophobicContact CG-CD2 3.78Å; F175-L295 HydrophobicContact CZ-CB 3.76Å
176D98.4Very high97.5Very high109 Ų10961.4 Ų61.458%0.58334%0.341SS*.  trans-74.998.8169.917911.3000109.4S178 V179D176-S178 VanDerWaalsContact C-N 3.31Å; D176-S178 VanDerWaalsContact OD1-CB 3.24Å; D176-S178 WeakPolarHBondContact OD1-CB 3.49Å; D176-S178 PolarHBondContact OD1-N 2.7Å; D176-S178 PolarHBondContact OD1-OG 2.81Å; D176-S178 PolarHBondContact OD2-OG 2.99Å; D176-V179 WeakPolarHBondContact O-CG2 3.28Å
177L98.6Very high96.4Very high17 Ų1762.6 Ų62.69%0.08936%0.364CS..G310 helixtrans-84.7-3.3179.9-52.6-176.1000112.9L172 F175 V179 F180 M183 L200 L233L172-L177 HydrophobicContact CD2-CD1 4.37Å; L172-L177 VanDerWaalsContact O-CD1 3.28Å; L172-L177 WeakPolarHBondContact O-CD1 3.37Å; F175-L177 HydrophobicContact CB-CD2 3.98Å; F175-L177 PolarHBondContact O-N 3.22Å; F175-L177 VanDerWaalsContact O-N 3.1Å; L177-V179 PolarHBondContact O-N 3.31Å; L177-V179 VanDerWaalsContact O-N 3.11Å; L177-F180 HydrophobicContact CD2-CD2 4.4Å; L177-F180 HydrophobicContact CD2-CE2 4.35Å; L177-F180 PolarHBondContact O-N 3.43Å; L177-M183 HydrophobicContact CB-CE 3.68Å; L177-M183 WeakPolarHBondContact O-CE 3.42Å; L177-L200 HydrophobicContact CD1-CD2 4.21Å; L177-L200 HydrophobicContact CD2-CD2 4Å; L177-L200 HydrophobicContact CG-CD2 4.48Å; L177-L233 HydrophobicContact CD1-CD2 3.75Å; L177-L233 HydrophobicContact CD2-CD2 4.39Å
178S98Very high95.1Very high92 Ų9264.3 Ų64.364%0.64339%0.385SS*.G310 helixtrans-63.6-17.6178.272.30000113.1D176 F180D176-S178 VanDerWaalsContact C-N 3.31Å; D176-S178 VanDerWaalsContact OD1-CB 3.24Å; D176-S178 WeakPolarHBondContact OD1-CB 3.49Å; D176-S178 PolarHBondContact OD1-N 2.7Å; D176-S178 PolarHBondContact OD1-OG 2.81Å; D176-S178 PolarHBondContact OD2-OG 2.99Å; S178-F180 PolarHBondContact O-N 2.84Å
179V98.1Very high94.1Very high79 Ų7967.4 Ų67.448%0.47940%0.399SS..G310 helixtrans-69-10.1173.6-54.20000113.7D176 L177 P181D176-V179 WeakPolarHBondContact O-CG2 3.28Å; L177-V179 PolarHBondContact O-N 3.31Å; L177-V179 VanDerWaalsContact O-N 3.11Å; V179-P181 WeakPolarHBondContact O-CD 3.25Å
180F98.4Very high93.4Very high6 Ų658.2 Ų58.23%0.02637%0.365CS..  trans-117.991.5179.3-52.2-74.2000110.6L177 S178 L182 M183 D199 L200 L295 R297L177-F180 HydrophobicContact CD2-CD2 4.4Å; L177-F180 HydrophobicContact CD2-CE2 4.35Å; L177-F180 PolarHBondContact O-N 3.43Å; S178-F180 PolarHBondContact O-N 2.84Å; F180-L182 VanDerWaalsContact C-N 3.34Å; F180-L182 PolarHBondContact O-N 2.72Å; F180-M183 HydrophobicContact CB-CE 4.2Å; F180-M183 VanDerWaalsContact O-CE 3.26Å; F180-M183 WeakPolarHBondContact O-CE 3.31Å; F180-D199 HydrophobicContact CB-CB 3.98Å; F180-D199 HydrophobicContact CD1-CB 4.12Å; F180-D199 VanDerWaalsContact CD1-O 3.31Å; F180-D199 WeakPolarHBondContact CD1-O 3.49Å; F180-L200 HydrophobicContact CB-CB 3.68Å; F180-L200 HydrophobicContact CD1-CB 4.14Å; F180-L200 HydrophobicContact CD2-CB 4.06Å; F180-L200 HydrophobicContact CD2-CD1 4.07Å; F180-L200 HydrophobicContact CD2-CD2 3.91Å; F180-L200 HydrophobicContact CD2-CG 4.24Å; F180-L200 HydrophobicContact CE2-CD1 3.96Å; F180-L200 HydrophobicContact CE2-CD2 4.43Å; F180-L200 HydrophobicContact CG-CB 3.72Å; F180-L200 HydrophobicContact CG-CD1 4.4Å; F180-L200 HydrophobicContact CG-CD2 4.4Å; F180-L200 HydrophobicContact CG-CG 4.41Å; F180-L200 HydrophobicContact CZ-CD1 4.19Å; F180-L295 HydrophobicContact CE2-CD1 4.29Å; F180-L295 HydrophobicContact CZ-CD1 4.3Å; F180-R297 VanDerWaalsContact CE1-NH2 3.33Å
181P97.8Very high92.8Very high117 Ų11757.7 Ų57.776%0.7636%0.357SS*.SBendtrans-61.7-35.8-176.4-2634.8000114.6V179 D199V179-P181 WeakPolarHBondContact O-CD 3.25Å; P181-D199 WeakPolarHBondContact CD-OD2 3.23Å
182L98.4Very high91.9Very high89 Ų8964.2 Ų64.247%0.46639%0.385SS..SBendtrans-112.9124.5179.6-174.560.3000110.6F180 E197 D199 L200F180-L182 VanDerWaalsContact C-N 3.34Å; F180-L182 PolarHBondContact O-N 2.72Å; L182-E197 WeakPolarHBondContact CD2-O 3.35Å; L182-D199 WeakPolarHBondContact CB-OD2 3.31Å; L182-D199 PolarHBondContact N-OD2 2.82Å; L182-D199 WeakPolarHBondContact O-CA 3.49Å; L182-D199 WeakPolarHBondContact O-CB 3.27Å; L182-D199 PolarHBondContact O-N 3.15Å; L182-L200 PolarHBondContact O-N 2.85Å; L182-L200 VanDerWaalsContact O-N 3.17Å
183M98.3Very high91.3Very high80 Ų8064.7 Ų64.739%0.39439%0.388SS..EExtended strand (participates in β ladder)trans-123149.2-178.4-53.1-173.4-17800111.3L177 F180 L200 I202L177-M183 HydrophobicContact CB-CE 3.68Å; L177-M183 WeakPolarHBondContact O-CE 3.42Å; F180-M183 HydrophobicContact CB-CE 4.2Å; F180-M183 VanDerWaalsContact O-CE 3.26Å; F180-M183 WeakPolarHBondContact O-CE 3.31Å; M183-L200 CarbonylContact C-O 3.54Å; M183-L200 WeakPolarHBondContact CA-O 3.26Å; M183-L200 HydrophobicContact CE-CD2 4.21Å; M183-L200 HydrophobicContact CG-CB 4.11Å; M183-L200 HydrophobicContact CG-CD2 4.34Å; M183-L200 HydrophobicContact SD-CD2 3.98Å; M183-I202 HydrophobicContact SD-CD1 4.44Å
184C97.8Very high90.9Very high18 Ų1865.8 Ų65.812%0.12240%0.397CS..EExtended strand (participates in β ladder)trans-129.7119.7172.3-179.70000109.8A198 L200 Y201 I202C184-A198 HydrophobicContact CB-CB 3.67Å; C184-L200 PolarHBondContact N-O 2.83Å; C184-Y201 HydrophobicContact CB-CD1 3.91Å; C184-Y201 HydrophobicContact CB-CE1 4.1Å; C184-Y201 CarbonylContact O-C 3.51Å; C184-Y201 WeakPolarHBondContact O-CA 3.31Å; C184-I202 PolarHBondContact O-N 2.89Å
185D97.1Very high90.7Very high115 Ų11565.6 Ų65.662%0.61539%0.393SS*.EExtended strand (participates in β ladder)trans-89.2115.5169.8-171.16.5000109.3G187D185-G187 PolarHBondContact O-N 3.48Å
186L90.8Very high90.5Very high8 Ų868.4 Ų68.44%0.04241%0.413CS..  trans-90.599.7-169.4-72174.3000111.1F190 L195 Y201 I202 L203 I222L186-F190 HydrophobicContact CB-CD1 4.22Å; L186-L195 HydrophobicContact CD2-CD2 3.92Å; L186-Y201 HydrophobicContact CD1-CD1 3.78Å; L186-Y201 HydrophobicContact CD1-CG 4.29Å; L186-Y201 HydrophobicContact CD2-CD1 4.23Å; L186-Y201 HydrophobicContact CG-CD1 4.07Å; L186-I202 PolarHBondContact N-O 3.26Å; L186-L203 HydrophobicContact CB-CD2 3.69Å; L186-L203 HydrophobicContact CD1-CD2 3.89Å; L186-L203 HydrophobicContact CD1-CG 4.47Å; L186-L203 HydrophobicContact CG-CD2 4.43Å; L186-I222 HydrophobicContact CD1-CD1 3.52Å; L186-I222 HydrophobicContact CD1-CG1 3.85Å
187G72.8Confident90.3Very high77 Ų7769.5 Ų69.579%0.79442%0.415SS*.  trans-138.444-179.300000115.1D185D185-G187 PolarHBondContact O-N 3.48Å
188G69.3Low90.3Very high52 Ų5268.8 Ų68.854%0.53641%0.411SS..SBendtrans-141.8-156.8-178.800000113.1F190G188-F190 WeakPolarHBondContact O-CD1 3.39Å; G188-F190 WeakPolarHBondContact O-CE1 3.39Å; G188-F190 WeakPolarHBondContact O-CG 3.44Å; G188-F190 PolarHBondContact O-N 2.87Å
189D75.4Confident90.3Very high73 Ų7366.6 Ų66.639%0.3939%0.392SS..  trans-78.763.3174.6-166.7-6.7000111.9F191 K192 D193D189-F191 PolarHBondContact O-N 3.48Å; D189-K192 PolarHBondContact O-N 3.16Å; D189-K192 IonicContact OD2-NZ 2.8Å; D189-D193 PolarHBondContact O-N 3Å; D189-D193 VanDerWaalsContact O-N 3.17Å
190F83.9Confident90.3Very high17 Ų1762.9 Ų62.98%0.07537%0.37CS..THydrogen-bonded Turntrans-68.6-9-176.837.5-114.3000114.4L186 G188 L195 V206 L218 R221L186-F190 HydrophobicContact CB-CD1 4.22Å; G188-F190 WeakPolarHBondContact O-CD1 3.39Å; G188-F190 WeakPolarHBondContact O-CE1 3.39Å; G188-F190 WeakPolarHBondContact O-CG 3.44Å; G188-F190 PolarHBondContact O-N 2.87Å; F190-L195 HydrophobicContact CB-CD2 3.91Å; F190-V206 HydrophobicContact CE1-CG1 4.04Å; F190-V206 HydrophobicContact CE2-CG1 4.11Å; F190-V206 HydrophobicContact CZ-CG1 3.53Å; F190-L218 HydrophobicContact CB-CD1 3.95Å; F190-L218 HydrophobicContact CD2-CD1 3.71Å; F190-L218 HydrophobicContact CD2-CD2 3.84Å; F190-L218 HydrophobicContact CD2-CG 4.39Å; F190-L218 HydrophobicContact CE2-CD2 3.89Å; F190-L218 HydrophobicContact CG-CD1 4.03Å; F190-L218 HydrophobicContact CG-CD2 4.49Å; F190-R221 PolarHBondContact O-NE 3.49Å; F190-R221 VanDerWaalsContact O-NE 3.12Å
191F84.3Confident90.3Very high36 Ų3662.6 Ų62.616%0.15837%0.368CS..THydrogen-bonded Turntrans-78.8-28.4176.4-70.8-63000112.8D189 W210 K214 H217 L218 R221D189-F191 PolarHBondContact O-N 3.48Å; F191-W210 HydrophobicContact CE2-CD2 4.42Å; F191-W210 AromaticContact CE2-CE2 3.8Å; F191-W210 HydrophobicContact CE2-CH2 4.33Å; F191-W210 AromaticContact CE2-CZ2 3.72Å; F191-W210 HydrophobicContact CE2-CZ2 3.72Å; F191-W210 HydrophobicContact CZ-CD2 4.31Å; F191-W210 HydrophobicContact CZ-CG 4.44Å; F191-W210 HydrophobicContact CZ-CZ2 4.38Å; F191-K214 HydrophobicContact CE1-CB 4.41Å; F191-K214 HydrophobicContact CZ-CB 4.25Å; F191-K214 HydrophobicContact CZ-CD 4.38Å; F191-K214 HydrophobicContact CZ-CG 4.48Å; F191-H217 AromaticContact CD1-CD2 3.79Å; F191-L218 HydrophobicContact CD1-CB 4.38Å; F191-L218 HydrophobicContact CE1-CB 3.81Å; F191-R221 VanDerWaalsContact O-CZ 3.23Å; F191-R221 PolarHBondContact O-NE 3.41Å; F191-R221 PolarHBondContact O-NH1 2.98Å
192K78.9Confident90.4Very high139 Ų13957.8 Ų57.860%0.60434%0.336SS*.THydrogen-bonded Turntrans-112.4-46.8-174.1-62.1175.9-168.6154.70111.7D189 R221D189-K192 PolarHBondContact O-N 3.16Å; D189-K192 IonicContact OD2-NZ 2.8Å; K192-R221 PolarHBondContact O-NH2 3.26Å
193D85.9Confident90.4Very high93 Ų9353.5 Ų53.550%0.49731%0.314SS..SBendtrans-76.5151.2-170-70.1-19.1000113.2D189 L195 R221D189-D193 PolarHBondContact O-N 3Å; D189-D193 VanDerWaalsContact O-N 3.17Å; D193-L195 PolarHBondContact O-N 2.79Å; D193-R221 PolarHBondContact O-NH2 3.13Å
194P88.6Confident90.4Very high120 Ų12050.7 Ų50.778%0.77930%0.303SS*.PPolyproline II helixtrans-59.8131.9172.326.7-33.9000109.8
195L94.3Very high90.4Very high20 Ų2051.3 Ų51.311%0.10530%0.303CS..PPolyproline II helixtrans-75.1136.6177.5-54.4-178.3000109.5L186 F190 D193 Y201 I222 T225L186-L195 HydrophobicContact CD2-CD2 3.92Å; F190-L195 HydrophobicContact CB-CD2 3.91Å; D193-L195 PolarHBondContact O-N 2.79Å; L195-Y201 HydrophobicContact CB-CE1 4.1Å; L195-Y201 HydrophobicContact CD1-CE1 4.47Å; L195-I222 HydrophobicContact CD1-CB 4.4Å; L195-I222 HydrophobicContact CD1-CG1 3.69Å; L195-T225 HydrophobicContact CB-CG2 4.27Å
196P94.5Very high90.4Very high80 Ų8046.4 Ų46.452%0.51928%0.277SS..PPolyproline II helixtrans-57.3143.8172.9-23.333.7000111.2A198 Y201P196-A198 PolarHBondContact O-N 2.77Å; P196-Y201 WeakPolarHBondContact O-CE1 3.22Å; P196-Y201 PolarHBondContact O-OH 3.3Å
197E95.1Very high90.7Very high132 Ų13246 Ų4662%0.61728%0.275SS*.PPolyproline II helixtrans-60.1133.4174-68.7-165.5-17000111.1L182 K227L182-E197 WeakPolarHBondContact CD2-O 3.35Å; E197-K227 IonicContact OE2-NZ 3.49Å; E197-K227 PolarHBondContact OE2-NZ 2.65Å
198A97.9Very high92Very high2 Ų242.8 Ų42.82%0.01724%0.239CC..  trans-152.8155.817500000112C184 P196 Y201C184-A198 HydrophobicContact CB-CB 3.67Å; P196-A198 PolarHBondContact O-N 2.77Å; A198-Y201 HydrophobicContact CB-CD1 4.4Å; A198-Y201 HydrophobicContact CB-CE1 4.07Å; A198-Y201 HydrophobicContact CB-CE2 4.21Å
199D98.4Very high93.3Very high46 Ų4641.1 Ų41.125%0.24622%0.218CC..SBendtrans-84.3-27.6168.5-54.8-50000111.1F180 P181 L182 G230 G231F180-D199 HydrophobicContact CB-CB 3.98Å; F180-D199 HydrophobicContact CD1-CB 4.12Å; F180-D199 VanDerWaalsContact CD1-O 3.31Å; F180-D199 WeakPolarHBondContact CD1-O 3.49Å; P181-D199 WeakPolarHBondContact CD-OD2 3.23Å; L182-D199 WeakPolarHBondContact CB-OD2 3.31Å; L182-D199 PolarHBondContact N-OD2 2.82Å; L182-D199 WeakPolarHBondContact O-CA 3.49Å; L182-D199 WeakPolarHBondContact O-CB 3.27Å; L182-D199 PolarHBondContact O-N 3.15Å; D199-G230 CarbonylContact O-C 3.5Å; D199-G230 VanDerWaalsContact O-CA 3.3Å; D199-G230 WeakPolarHBondContact O-CA 3.09Å; D199-G231 PolarHBondContact O-N 3.13Å
200L98.8Very high94.4Very high0 Ų038.1 Ų38.10%020%0.202CC..EExtended strand (participates in β ladder)trans-133.1126.3174.5-175.867.1000111.2L177 F180 L182 M183 C184 I202 G231 L233 L295L177-L200 HydrophobicContact CD1-CD2 4.21Å; L177-L200 HydrophobicContact CD2-CD2 4Å; L177-L200 HydrophobicContact CG-CD2 4.48Å; F180-L200 HydrophobicContact CB-CB 3.68Å; F180-L200 HydrophobicContact CD1-CB 4.14Å; F180-L200 HydrophobicContact CD2-CB 4.06Å; F180-L200 HydrophobicContact CD2-CD1 4.07Å; F180-L200 HydrophobicContact CD2-CD2 3.91Å; F180-L200 HydrophobicContact CD2-CG 4.24Å; F180-L200 HydrophobicContact CE2-CD1 3.96Å; F180-L200 HydrophobicContact CE2-CD2 4.43Å; F180-L200 HydrophobicContact CG-CB 3.72Å; F180-L200 HydrophobicContact CG-CD1 4.4Å; F180-L200 HydrophobicContact CG-CD2 4.4Å; F180-L200 HydrophobicContact CG-CG 4.41Å; F180-L200 HydrophobicContact CZ-CD1 4.19Å; L182-L200 PolarHBondContact O-N 2.85Å; L182-L200 VanDerWaalsContact O-N 3.17Å; M183-L200 CarbonylContact C-O 3.54Å; M183-L200 WeakPolarHBondContact CA-O 3.26Å; M183-L200 HydrophobicContact CE-CD2 4.21Å; M183-L200 HydrophobicContact CG-CB 4.11Å; M183-L200 HydrophobicContact CG-CD2 4.34Å; M183-L200 HydrophobicContact SD-CD2 3.98Å; C184-L200 PolarHBondContact N-O 2.83Å; L200-I202 HydrophobicContact CD2-CD1 4.49Å; L200-I202 HydrophobicContact CD2-CG1 4.21Å; L200-I202 HydrophobicContact CG-CG1 4.27Å; L200-G231 WeakPolarHBondContact CA-O 3.35Å; L200-L233 HydrophobicContact CD1-CB 3.97Å; L200-L233 HydrophobicContact CD2-CB 4.25Å; L200-L233 HydrophobicContact CD2-CD2 4.43Å; L200-L233 HydrophobicContact CG-CB 4.3Å; L200-L295 HydrophobicContact CD1-CD1 4.04Å
201Y98.6Very high95.1Very high0 Ų039.6 Ų39.60%022%0.217CC..EExtended strand (participates in β ladder)trans-99131.6166.9-65-88.1000110.1C184 L186 L195 P196 A198 I222 T225 C226 G231 I232 L233C184-Y201 HydrophobicContact CB-CD1 3.91Å; C184-Y201 HydrophobicContact CB-CE1 4.1Å; C184-Y201 CarbonylContact O-C 3.51Å; C184-Y201 WeakPolarHBondContact O-CA 3.31Å; L186-Y201 HydrophobicContact CD1-CD1 3.78Å; L186-Y201 HydrophobicContact CD1-CG 4.29Å; L186-Y201 HydrophobicContact CD2-CD1 4.23Å; L186-Y201 HydrophobicContact CG-CD1 4.07Å; L195-Y201 HydrophobicContact CB-CE1 4.1Å; L195-Y201 HydrophobicContact CD1-CE1 4.47Å; P196-Y201 WeakPolarHBondContact O-CE1 3.22Å; P196-Y201 PolarHBondContact O-OH 3.3Å; A198-Y201 HydrophobicContact CB-CD1 4.4Å; A198-Y201 HydrophobicContact CB-CE1 4.07Å; A198-Y201 HydrophobicContact CB-CE2 4.21Å; Y201-I222 HydrophobicContact CD1-CG2 4.47Å; Y201-I222 HydrophobicContact CD2-CG2 3.58Å; Y201-I222 HydrophobicContact CE2-CG2 4.26Å; Y201-I222 HydrophobicContact CG-CG2 3.7Å; Y201-T225 WeakPolarHBondContact OH-CG2 3.19Å; Y201-C226 VanDerWaalsContact CD2-SG 3.56Å; Y201-C226 VanDerWaalsContact CE2-SG 3.6Å; Y201-G231 PolarHBondContact N-O 3.49Å; Y201-I232 CarbonylContact O-C 3.5Å; Y201-I232 WeakPolarHBondContact O-CA 3.19Å; Y201-L233 PolarHBondContact O-N 3.47Å
202I98.6Very high95.8Very high16 Ų1640.7 Ų40.78%0.08222%0.224CC..EExtended strand (participates in β ladder)trans-107.3129.1178.9-49.6176.1000108.3M183 C184 L186 L200 A204 L233 I235M183-I202 HydrophobicContact SD-CD1 4.44Å; C184-I202 PolarHBondContact O-N 2.89Å; L186-I202 PolarHBondContact N-O 3.26Å; L200-I202 HydrophobicContact CD2-CD1 4.49Å; L200-I202 HydrophobicContact CD2-CG1 4.21Å; L200-I202 HydrophobicContact CG-CG1 4.27Å; I202-A204 HydrophobicContact CG2-CB 4.47Å; I202-L233 CarbonylContact C-O 3.52Å; I202-L233 WeakPolarHBondContact CA-O 3.11Å; I202-L233 HydrophobicContact CD1-CD2 4.44Å; I202-L233 HydrophobicContact CG1-CB 4.32Å; I202-L233 HydrophobicContact CG1-CD2 4.28Å; I202-L233 HydrophobicContact CG2-CD2 4.25Å; I202-L233 HydrophobicContact CG2-CG 4.5Å; I202-I235 HydrophobicContact CG2-CD1 3.92Å
203L98.5Very high96.7Very high0 Ų036.7 Ų36.70%022%0.222CC..EExtended strand (participates in β ladder)trans-121.391.2172-70.9177.3000108.3L186 V206 L207 L218 L219 I222 I232 L233 V234 I235L186-L203 HydrophobicContact CB-CD2 3.69Å; L186-L203 HydrophobicContact CD1-CD2 3.89Å; L186-L203 HydrophobicContact CD1-CG 4.47Å; L186-L203 HydrophobicContact CG-CD2 4.43Å; L203-V206 HydrophobicContact CB-CB 4.32Å; L203-V206 HydrophobicContact CD2-CB 3.99Å; L203-V206 HydrophobicContact CD2-CG1 3.9Å; L203-V206 HydrophobicContact CD2-CG2 4.12Å; L203-L207 HydrophobicContact CD1-CD1 4.29Å; L203-L207 HydrophobicContact CD1-CD2 3.83Å; L203-L207 HydrophobicContact CD1-CG 4.04Å; L203-L218 HydrophobicContact CD1-CD2 4.19Å; L203-L218 HydrophobicContact CD2-CD2 3.97Å; L203-L219 HydrophobicContact CD1-CD2 4.05Å; L203-I222 HydrophobicContact CD1-CD1 3.72Å; L203-I222 HydrophobicContact CD2-CD1 4.32Å; L203-I222 HydrophobicContact CG-CD1 4.19Å; L203-I232 HydrophobicContact CD1-CD1 3.96Å; L203-L233 PolarHBondContact N-O 3.32Å; L203-V234 HydrophobicContact CB-CG2 4.47Å; L203-V234 WeakPolarHBondContact O-CA 3.44Å; L203-I235 PolarHBondContact O-N 3.07Å
204A98.1Very high97.2Very high21 Ų2135.6 Ų35.617%0.17421%0.213CC..EExtended strand (participates in β ladder)trans-100.7113.7178.100000110.3W164 I202 V206 I235W164-A204 HydrophobicContact CH2-CB 3.97Å; W164-A204 HydrophobicContact CZ2-CB 3.89Å; I202-A204 HydrophobicContact CG2-CB 4.47Å; A204-V206 VanDerWaalsContact C-N 3.34Å; A204-V206 PolarHBondContact O-N 3.01Å; A204-I235 WeakPolarHBondContact CA-O 3.45Å; A204-I235 HydrophobicContact CB-CB 3.91Å; A204-I235 HydrophobicContact CB-CD1 4.25Å; A204-I235 HydrophobicContact CB-CG2 4.48Å
205R97.8Very high97.7Very high31 Ų3129.9 Ų29.912%0.11718%0.176CC..SBendtrans55.649.2-178-59.2167.362.2-178-0.3112.4W164 H208 I235 E236 Y291W164-R205 HydrophobicContact CH2-CG 4.08Å; W164-R205 HydrophobicContact CZ2-CG 4.2Å; R205-H208 WeakPolarHBondContact CB-NE2 3.44Å; R205-I235 PolarHBondContact N-O 2.67Å; R205-E236 WeakPolarHBondContact CA-OE1 3.5Å; R205-E236 WeakPolarHBondContact CA-OE2 3.45Å; R205-E236 PolarHBondContact N-OE1 3.2Å; R205-Y291 VanDerWaalsContact CD-CZ 3.47Å; R205-Y291 VanDerWaalsContact CD-OH 3.32Å; R205-Y291 WeakPolarHBondContact CD-OH 3.32Å; R205-Y291 HydrophobicContact CG-CD1 4.2Å; R205-Y291 HydrophobicContact CG-CE1 3.54Å; R205-Y291 PolarHBondContact NE-OH 3.28Å; R205-Y291 VanDerWaalsContact NE-OH 3.17Å
206V97.5Very high97.9Very high12 Ų1230.5 Ų30.57%0.07318%0.182CC..  trans-119.5-45.5178.9177.40000109.9F190 L203 A204 H208 D209 W210 L218 E236F190-V206 HydrophobicContact CE1-CG1 4.04Å; F190-V206 HydrophobicContact CE2-CG1 4.11Å; F190-V206 HydrophobicContact CZ-CG1 3.53Å; L203-V206 HydrophobicContact CB-CB 4.32Å; L203-V206 HydrophobicContact CD2-CB 3.99Å; L203-V206 HydrophobicContact CD2-CG1 3.9Å; L203-V206 HydrophobicContact CD2-CG2 4.12Å; A204-V206 VanDerWaalsContact C-N 3.34Å; A204-V206 PolarHBondContact O-N 3.01Å; V206-H208 VanDerWaalsContact C-N 3.27Å; V206-H208 PolarHBondContact O-N 2.72Å; V206-D209 PolarHBondContact O-N 3.28Å; V206-W210 PolarHBondContact O-NE1 3.34Å; V206-L218 HydrophobicContact CG1-CD2 4.03Å; V206-E236 PolarHBondContact N-OE1 2.94Å
207L98.4Very high98Very high0 Ų030.9 Ų30.90%018%0.177CC..G310 helixtrans-72-26.9-174.8-64.4-176.8000111.6L203 D209 W210 C215 L218 L219 V234 E236 R265 Y270L203-L207 HydrophobicContact CD1-CD1 4.29Å; L203-L207 HydrophobicContact CD1-CD2 3.83Å; L203-L207 HydrophobicContact CD1-CG 4.04Å; L207-D209 PolarHBondContact O-N 2.75Å; L207-W210 PolarHBondContact O-N 3.14Å; L207-C215 HydrophobicContact CD2-CB 4.23Å; L207-C215 PolarHBondContact O-SG 3.3Å; L207-L218 HydrophobicContact CD2-CD2 4.39Å; L207-L219 HydrophobicContact CD1-CD2 4.32Å; L207-L219 HydrophobicContact CD2-CD2 4.37Å; L207-L219 HydrophobicContact CD2-CG 4.45Å; L207-V234 HydrophobicContact CD1-CG1 3.85Å; L207-V234 HydrophobicContact CD1-CG2 3.83Å; L207-E236 PolarHBondContact N-OE1 3.03Å; L207-R265 PolarHBondContact O-NH1 2.93Å; L207-Y270 HydrophobicContact CB-CE1 4.07Å; L207-Y270 HydrophobicContact CD1-CD1 4.22Å; L207-Y270 HydrophobicContact CD1-CE1 4.01Å
208H98.5Very high98.2Very high8 Ų824.6 Ų24.64%0.03715%0.147CC..G310 helixtrans-70.5-16.1177.977.9163.7000114.5R205 V206 W210 E236 M256 G262 Q263 E264R205-H208 WeakPolarHBondContact CB-NE2 3.44Å; V206-H208 VanDerWaalsContact C-N 3.27Å; V206-H208 PolarHBondContact O-N 2.72Å; H208-W210 VanDerWaalsContact C-N 3.28Å; H208-W210 PolarHBondContact O-N 2.61Å; H208-E236 IonicContact CD2-OE2 2.65Å; H208-E236 IonicContact CG-OE2 2.67Å; H208-E236 PolarHBondContact N-OE1 3Å; H208-E236 IonicContact ND1-OE2 3.32Å; H208-M256 HydrophobicContact CB-CG 4.4Å; H208-M256 HydrophobicContact CB-SD 4.28Å; H208-G262 CarbonylContact O-C 3.51Å; H208-G262 VanDerWaalsContact O-CA 3.27Å; H208-G262 WeakPolarHBondContact O-CA 3.16Å; H208-Q263 PolarHBondContact O-N 3.4Å; H208-Q263 VanDerWaalsContact O-N 3.09Å; H208-E264 IonicContact CE1-OE1 3.61Å; H208-E264 IonicContact CG-OE1 3.64Å; H208-E264 IonicContact ND1-OE1 3.33Å; H208-E264 PolarHBondContact ND1-OE1 2.81Å; H208-E264 IonicContact ND1-OE2 3.89Å
209D98Very high98.2Very high17 Ų1724.5 Ų24.59%0.09115%0.147CC..G310 helixtrans-76.2-18.5178.2-69.2-35.8000112.8L142 V206 L207 T260 E261 G262L142-D209 HydrophobicContact CD2-CB 4.27Å; V206-D209 PolarHBondContact O-N 3.28Å; L207-D209 PolarHBondContact O-N 2.75Å; D209-T260 WeakPolarHBondContact O-CB 3.33Å; D209-T260 PolarHBondContact O-OG1 3.28Å; D209-E261 CarbonylContact O-C 3.57Å; D209-E261 WeakPolarHBondContact O-CA 3.39Å; D209-E261 PolarHBondContact O-N 2.73Å; D209-G262 PolarHBondContact O-N 3.23Å
210W98.3Very high98.2Very high11 Ų1126.6 Ų26.64%0.04216%0.155CC..SBendtrans-124.2151.3-164.4-52.5113.2000113.4L142 F143 F191 V206 L207 H208 K214 C215 E261 G262 R265L142-W210 HydrophobicContact CB-CH2 4.06Å; L142-W210 HydrophobicContact CB-CZ3 3.9Å; L142-W210 HydrophobicContact CD2-CE3 4.27Å; L142-W210 HydrophobicContact CD2-CH2 4.11Å; L142-W210 HydrophobicContact CD2-CZ3 3.82Å; F143-W210 AromaticContact CD2-CH2 3.86Å; F143-W210 HydrophobicContact CD2-CH2 3.86Å; F143-W210 AromaticContact CD2-CZ2 3.78Å; F143-W210 HydrophobicContact CD2-CZ2 3.78Å; F143-W210 AromaticContact CE2-CH2 3.93Å; F143-W210 HydrophobicContact CE2-CH2 3.93Å; F143-W210 AromaticContact CE2-CZ2 3.46Å; F143-W210 HydrophobicContact CE2-CZ2 3.46Å; F143-W210 VanDerWaalsContact CE2-CZ2 3.46Å; F191-W210 HydrophobicContact CE2-CD2 4.42Å; F191-W210 AromaticContact CE2-CE2 3.8Å; F191-W210 HydrophobicContact CE2-CH2 4.33Å; F191-W210 AromaticContact CE2-CZ2 3.72Å; F191-W210 HydrophobicContact CE2-CZ2 3.72Å; F191-W210 HydrophobicContact CZ-CD2 4.31Å; F191-W210 HydrophobicContact CZ-CG 4.44Å; F191-W210 HydrophobicContact CZ-CZ2 4.38Å; V206-W210 PolarHBondContact O-NE1 3.34Å; L207-W210 PolarHBondContact O-N 3.14Å; H208-W210 VanDerWaalsContact C-N 3.28Å; H208-W210 PolarHBondContact O-N 2.61Å; W210-K214 HydrophobicContact CB-CB 3.87Å; W210-K214 HydrophobicContact CD2-CD 4Å; W210-K214 HydrophobicContact CE3-CD 3.45Å; W210-K214 VanDerWaalsContact CE3-CD 3.45Å; W210-K214 HydrophobicContact CG-CB 4.31Å; W210-K214 HydrophobicContact CG-CD 4.5Å; W210-K214 HydrophobicContact CZ3-CD 3.93Å; W210-C215 PolarHBondContact O-SG 3.37Å; W210-E261 HydrophobicContact CE3-CB 4.47Å; W210-G262 WeakPolarHBondContact O-CA 3.4Å; W210-R265 PolarHBondContact O-NH2 3.11Å
211A98.3Very high98.1Very high48 Ų4829.8 Ų29.840%0.39717%0.167SC..  trans-68.2158.4167.300000111.9G213 K214 C215 E261A211-G213 PolarHBondContact O-N 3.02Å; A211-K214 PolarHBondContact O-N 2.93Å; A211-C215 PolarHBondContact O-N 3.44Å; A211-E261 PolarHBondContact N-O 2.96Å
212D98.6Very high98Very high58 Ų5829.8 Ų29.831%0.3117%0.167SC..Hα-helixtrans-53.9-33.1-173.6-75.48000114.4C215 S216 R265 H269 L273D212-C215 PolarHBondContact O-N 3.49Å; D212-S216 WeakPolarHBondContact O-CB 3.29Å; D212-S216 PolarHBondContact O-N 3.25Å; D212-S216 PolarHBondContact O-OG 3.07Å; D212-R265 IonicContact OD1-CZ 2.65Å; D212-R265 IonicContact OD1-NE 2.78Å; D212-R265 PolarHBondContact OD1-NE 2.91Å; D212-R265 IonicContact OD1-NH2 3.97Å; D212-R265 PolarHBondContact OD1-NH2 3.5Å; D212-H269 IonicContact OD1-CE1 2.82Å; D212-H269 IonicContact OD1-NE2 3.25Å; D212-H269 PolarHBondContact OD1-NE2 3.29Å; D212-H269 IonicContact OD2-CD2 3.03Å; D212-H269 IonicContact OD2-CE1 2.77Å; D212-H269 PolarHBondContact OD2-CE1 3.39Å; D212-H269 IonicContact OD2-NE2 3.68Å; D212-H269 PolarHBondContact OD2-NE2 3.39Å; D212-L273 HydrophobicContact CB-CD2 4.08Å
213G98.1Very high98Very high55 Ų5531.5 Ų31.557%0.56717%0.173SC*.Hα-helixtrans-64.8-46.7176.700000113.1A211 S216 H217A211-G213 PolarHBondContact O-N 3.02Å; G213-S216 PolarHBondContact O-N 3.13Å; G213-H217 PolarHBondContact O-N 3.45Å
214K97.3Very high97.9Very high70 Ų7038.3 Ų38.330%0.30421%0.205SC..Hα-helixtrans-67.8-39.5175.2-89.6-171.5-178.9168.40111.1F191 W210 A211 H217 L218 E261F191-K214 HydrophobicContact CE1-CB 4.41Å; F191-K214 HydrophobicContact CZ-CB 4.25Å; F191-K214 HydrophobicContact CZ-CD 4.38Å; F191-K214 HydrophobicContact CZ-CG 4.48Å; W210-K214 HydrophobicContact CB-CB 3.87Å; W210-K214 HydrophobicContact CD2-CD 4Å; W210-K214 HydrophobicContact CE3-CD 3.45Å; W210-K214 VanDerWaalsContact CE3-CD 3.45Å; W210-K214 HydrophobicContact CG-CB 4.31Å; W210-K214 HydrophobicContact CG-CD 4.5Å; W210-K214 HydrophobicContact CZ3-CD 3.93Å; A211-K214 PolarHBondContact O-N 2.93Å; K214-H217 PolarHBondContact O-N 2.79Å; K214-L218 PolarHBondContact O-N 3.03Å; K214-L218 VanDerWaalsContact O-N 3.1Å; K214-E261 IonicContact NZ-OE1 2.78Å; K214-E261 PolarHBondContact NZ-OE1 2.92Å; K214-E261 IonicContact NZ-OE2 3.92Å; K214-E261 PolarHBondContact NZ-OE2 3.11Å
215C98.4Very high97.9Very high0 Ų040 Ų400%021%0.213CC..Hα-helixtrans-57.1-50.5172.6-67.80000111.4L207 W210 A211 D212 H217 L218 L219 L273L207-C215 HydrophobicContact CD2-CB 4.23Å; L207-C215 PolarHBondContact O-SG 3.3Å; W210-C215 PolarHBondContact O-SG 3.37Å; A211-C215 PolarHBondContact O-N 3.44Å; D212-C215 PolarHBondContact O-N 3.49Å; C215-H217 VanDerWaalsContact C-N 3.32Å; C215-H217 PolarHBondContact O-N 3.23Å; C215-L218 PolarHBondContact O-N 2.85Å; C215-L219 WeakPolarHBondContact O-CB 3.4Å; C215-L219 VanDerWaalsContact O-CG 3.22Å; C215-L219 WeakPolarHBondContact O-CG 3.28Å; C215-L219 PolarHBondContact O-N 3.23Å; C215-L273 HydrophobicContact CB-CD1 4.32Å; C215-L273 HydrophobicContact CB-CD2 4.5Å
216S98.4Very high97.7Very high34 Ų3438.8 Ų38.824%0.23821%0.209CC..Hα-helixtrans-57.9-44.8179.5-58.50000111.4D212 G213 L218 L219 E220D212-S216 WeakPolarHBondContact O-CB 3.29Å; D212-S216 PolarHBondContact O-N 3.25Å; D212-S216 PolarHBondContact O-OG 3.07Å; G213-S216 PolarHBondContact O-N 3.13Å; S216-L218 PolarHBondContact O-N 2.96Å; S216-L219 PolarHBondContact O-N 3.25Å; S216-E220 WeakPolarHBondContact O-CB 3.44Å; S216-E220 WeakPolarHBondContact O-CG 3.3Å; S216-E220 PolarHBondContact O-N 3.11Å
217H97.3Very high97.6Very high87 Ų8742.8 Ų42.840%0.40323%0.225SC..Hα-helixtrans-59.5-45.5177.9-178.154.7000113F191 G213 K214 C215 R221F191-H217 AromaticContact CD1-CD2 3.79Å; G213-H217 PolarHBondContact O-N 3.45Å; K214-H217 PolarHBondContact O-N 2.79Å; C215-H217 VanDerWaalsContact C-N 3.32Å; C215-H217 PolarHBondContact O-N 3.23Å; H217-R221 WeakPolarHBondContact O-CG 3.48Å; H217-R221 PolarHBondContact O-N 2.9Å
218L97.6Very high97.5Very high0 Ų048.5 Ų48.50%026%0.263CS..Hα-helixtrans-64.2-45.9176.1176.257.7000111.6F190 F191 L203 V206 L207 K214 C215 S216 E220 R221 I222F190-L218 HydrophobicContact CB-CD1 3.95Å; F190-L218 HydrophobicContact CD2-CD1 3.71Å; F190-L218 HydrophobicContact CD2-CD2 3.84Å; F190-L218 HydrophobicContact CD2-CG 4.39Å; F190-L218 HydrophobicContact CE2-CD2 3.89Å; F190-L218 HydrophobicContact CG-CD1 4.03Å; F190-L218 HydrophobicContact CG-CD2 4.49Å; F191-L218 HydrophobicContact CD1-CB 4.38Å; F191-L218 HydrophobicContact CE1-CB 3.81Å; L203-L218 HydrophobicContact CD1-CD2 4.19Å; L203-L218 HydrophobicContact CD2-CD2 3.97Å; V206-L218 HydrophobicContact CG1-CD2 4.03Å; L207-L218 HydrophobicContact CD2-CD2 4.39Å; K214-L218 PolarHBondContact O-N 3.03Å; K214-L218 VanDerWaalsContact O-N 3.1Å; C215-L218 PolarHBondContact O-N 2.85Å; S216-L218 PolarHBondContact O-N 2.96Å; L218-E220 VanDerWaalsContact C-N 3.34Å; L218-E220 PolarHBondContact O-N 3.49Å; L218-R221 WeakPolarHBondContact O-CB 3.31Å; L218-R221 PolarHBondContact O-N 3.49Å; L218-I222 HydrophobicContact CD1-CD1 3.96Å; L218-I222 HydrophobicContact CD1-CG1 4.2Å; L218-I222 HydrophobicContact CG-CD1 3.91Å; L218-I222 WeakPolarHBondContact O-CG1 3.39Å; L218-I222 PolarHBondContact O-N 3.45Å
219L98.4Very high97.4Very high0 Ų050 Ų500%028%0.28CS..Hα-helixtrans-63.5-39-178.7-68175.3000112.1L203 L207 C215 S216 I222 Y223 I232 L273 L274 A277L203-L219 HydrophobicContact CD1-CD2 4.05Å; L207-L219 HydrophobicContact CD1-CD2 4.32Å; L207-L219 HydrophobicContact CD2-CD2 4.37Å; L207-L219 HydrophobicContact CD2-CG 4.45Å; C215-L219 WeakPolarHBondContact O-CB 3.4Å; C215-L219 VanDerWaalsContact O-CG 3.22Å; C215-L219 WeakPolarHBondContact O-CG 3.28Å; C215-L219 PolarHBondContact O-N 3.23Å; S216-L219 PolarHBondContact O-N 3.25Å; L219-I222 PolarHBondContact O-N 2.88Å; L219-Y223 WeakPolarHBondContact O-CB 3.13Å; L219-Y223 PolarHBondContact O-N 2.92Å; L219-I232 HydrophobicContact CD2-CD1 3.44Å; L219-I232 VanDerWaalsContact CD2-CD1 3.44Å; L219-L273 HydrophobicContact CD1-CB 3.83Å; L219-L274 HydrophobicContact CD1-CD2 4.33Å; L219-L274 HydrophobicContact CD2-CD2 3.89Å; L219-A277 HydrophobicContact CB-CB 3.6Å
220E97.8Very high97.4Very high90 Ų9049.4 Ų49.442%0.42128%0.278SS..Hα-helixtrans-61.6-45.5173.4-76.4175-177.100111.6S216 L218 I222 Y223 H224 A277S216-E220 WeakPolarHBondContact O-CB 3.44Å; S216-E220 WeakPolarHBondContact O-CG 3.3Å; S216-E220 PolarHBondContact O-N 3.11Å; L218-E220 VanDerWaalsContact C-N 3.34Å; L218-E220 PolarHBondContact O-N 3.49Å; E220-I222 VanDerWaalsContact C-N 3.35Å; E220-I222 PolarHBondContact O-N 3.41Å; E220-Y223 PolarHBondContact O-N 3.42Å; E220-H224 PolarHBondContact O-CD2 3.18Å; E220-H224 PolarHBondContact O-N 2.93Å; E220-A277 HydrophobicContact CG-CB 4.35Å
221R97.1Very high97.4Very high68 Ų6848.9 Ų48.926%0.25728%0.276SS..Hα-helixtrans-58.3-46.7175.9-72.517564.189.22.3111.6F190 F191 K192 D193 H217 L218 H224 T225F190-R221 PolarHBondContact O-NE 3.49Å; F190-R221 VanDerWaalsContact O-NE 3.12Å; F191-R221 VanDerWaalsContact O-CZ 3.23Å; F191-R221 PolarHBondContact O-NE 3.41Å; F191-R221 PolarHBondContact O-NH1 2.98Å; K192-R221 PolarHBondContact O-NH2 3.26Å; D193-R221 PolarHBondContact O-NH2 3.13Å; H217-R221 WeakPolarHBondContact O-CG 3.48Å; H217-R221 PolarHBondContact O-N 2.9Å; L218-R221 WeakPolarHBondContact O-CB 3.31Å; L218-R221 PolarHBondContact O-N 3.49Å; R221-H224 PolarHBondContact O-N 3.04Å; R221-T225 PolarHBondContact O-N 3.01Å; R221-T225 VanDerWaalsContact O-N 3.09Å; R221-T225 PolarHBondContact O-OG1 3.47Å
222I97.8Very high97.4Very high0 Ų046.6 Ų46.60%026%0.257CS..Hα-helixtrans-62.7-47.6177.7-63.2166.7000109.8L186 L195 Y201 L203 L218 L219 E220 H224 T225 C226 I232 F279L186-I222 HydrophobicContact CD1-CD1 3.52Å; L186-I222 HydrophobicContact CD1-CG1 3.85Å; L195-I222 HydrophobicContact CD1-CB 4.4Å; L195-I222 HydrophobicContact CD1-CG1 3.69Å; Y201-I222 HydrophobicContact CD1-CG2 4.47Å; Y201-I222 HydrophobicContact CD2-CG2 3.58Å; Y201-I222 HydrophobicContact CE2-CG2 4.26Å; Y201-I222 HydrophobicContact CG-CG2 3.7Å; L203-I222 HydrophobicContact CD1-CD1 3.72Å; L203-I222 HydrophobicContact CD2-CD1 4.32Å; L203-I222 HydrophobicContact CG-CD1 4.19Å; L218-I222 HydrophobicContact CD1-CD1 3.96Å; L218-I222 HydrophobicContact CD1-CG1 4.2Å; L218-I222 HydrophobicContact CG-CD1 3.91Å; L218-I222 WeakPolarHBondContact O-CG1 3.39Å; L218-I222 PolarHBondContact O-N 3.45Å; L219-I222 PolarHBondContact O-N 2.88Å; E220-I222 VanDerWaalsContact C-N 3.35Å; E220-I222 PolarHBondContact O-N 3.41Å; I222-H224 VanDerWaalsContact C-N 3.32Å; I222-H224 PolarHBondContact O-N 2.83Å; I222-T225 CarbonylContact O-C 3.55Å; I222-T225 PolarHBondContact O-N 3.27Å; I222-C226 PolarHBondContact O-N 3.04Å; I222-C226 PolarHBondContact O-SG 3.39Å; I222-C226 VanDerWaalsContact O-SG 3.4Å; I222-I232 HydrophobicContact CD1-CD1 4.1Å; I222-I232 HydrophobicContact CG2-CD1 4.23Å; I222-F279 HydrophobicContact CB-CZ 4.47Å; I222-F279 HydrophobicContact CG2-CZ 4.03Å
223Y98.3Very high97.4Very high52 Ų5243.8 Ų43.820%0.20424%0.242CC..Hα-helixtrans-57.1-44.1179.2-178.5-98.6000112.2L219 E220 T225 C226 A277 G278 F279 K298L219-Y223 WeakPolarHBondContact O-CB 3.13Å; L219-Y223 PolarHBondContact O-N 2.92Å; E220-Y223 PolarHBondContact O-N 3.42Å; Y223-T225 VanDerWaalsContact C-N 3.3Å; Y223-T225 PolarHBondContact O-N 3.23Å; Y223-C226 PolarHBondContact O-N 3.23Å; Y223-A277 WeakPolarHBondContact CB-O 3.49Å; Y223-A277 VanDerWaalsContact CD1-O 3.25Å; Y223-A277 WeakPolarHBondContact CD1-O 3.42Å; Y223-G278 WeakPolarHBondContact CE2-O 3.34Å; Y223-G278 PolarHBondContact OH-O 3.39Å; Y223-F279 AromaticContact CD2-CD1 3.95Å; Y223-F279 HydrophobicContact CD2-CD1 3.95Å; Y223-F279 HydrophobicContact CD2-CD2 4.12Å; Y223-F279 AromaticContact CD2-CE1 3.98Å; Y223-F279 HydrophobicContact CD2-CE1 3.98Å; Y223-F279 HydrophobicContact CD2-CE2 4.16Å; Y223-F279 HydrophobicContact CD2-CG 4.02Å; Y223-F279 HydrophobicContact CD2-CZ 4.09Å; Y223-F279 HydrophobicContact CG-CE2 4.47Å; Y223-F279 HydrophobicContact CG-CZ 4.5Å; Y223-K298 HydrophobicContact CD2-CB 4.37Å; Y223-K298 HydrophobicContact CD2-CD 4.11Å; Y223-K298 HydrophobicContact CD2-CG 4.22Å; Y223-K298 HydrophobicContact CE2-CB 3.99Å; Y223-K298 HydrophobicContact CE2-CD 3.83Å; Y223-K298 HydrophobicContact CE2-CG 3.58Å; Y223-K298 WeakPolarHBondContact O-CD 3.45Å; Y223-K298 WeakPolarHBondContact O-CE 3.29Å; Y223-K298 PolarHBondContact O-NZ 2.77Å
224H97Very high97.5Very high143 Ų14341.2 Ų41.266%0.66222%0.215SC*.Hα-helixtrans-67-30.6177.2-74.6-60.2000113.2E220 R221 I222E220-H224 PolarHBondContact O-CD2 3.18Å; E220-H224 PolarHBondContact O-N 2.93Å; R221-H224 PolarHBondContact O-N 3.04Å; I222-H224 VanDerWaalsContact C-N 3.32Å; I222-H224 PolarHBondContact O-N 2.83Å
225T96.7Very high97.5Very high57 Ų5738 Ų3835%0.3520%0.201SC..Hα-helixtrans-79.3-28.5177.2-45.70000112.3L195 Y201 R221 I222 Y223L195-T225 HydrophobicContact CB-CG2 4.27Å; Y201-T225 WeakPolarHBondContact OH-CG2 3.19Å; R221-T225 PolarHBondContact O-N 3.01Å; R221-T225 VanDerWaalsContact O-N 3.09Å; R221-T225 PolarHBondContact O-OG1 3.47Å; I222-T225 CarbonylContact O-C 3.55Å; I222-T225 PolarHBondContact O-N 3.27Å; Y223-T225 VanDerWaalsContact C-N 3.3Å; Y223-T225 PolarHBondContact O-N 3.23Å
226C94.6Very high97.6Very high5 Ų538.1 Ų38.13%0.03420%0.202CC..PPolyproline II helixtrans-61.1141.2176.6-78.50000112.6Y201 I222 Y223 K298Y201-C226 VanDerWaalsContact CD2-SG 3.56Å; Y201-C226 VanDerWaalsContact CE2-SG 3.6Å; I222-C226 PolarHBondContact O-N 3.04Å; I222-C226 PolarHBondContact O-SG 3.39Å; I222-C226 VanDerWaalsContact O-SG 3.4Å; Y223-C226 PolarHBondContact O-N 3.23Å; C226-K298 HydrophobicContact CB-CB 4.18Å; C226-K298 HydrophobicContact CB-CD 3.62Å; C226-K298 WeakPolarHBondContact O-CD 3.48Å; C226-K298 WeakPolarHBondContact O-CE 3.34Å; C226-K298 PolarHBondContact O-NZ 3.07Å
227K94.6Very high97.6Very high95 Ų9536.5 Ų36.541%0.41319%0.191SC..PPolyproline II helixtrans-83.6158.2168.3-58.1170.7-172.31720109.3E197 G229 G230E197-K227 IonicContact OE2-NZ 3.49Å; E197-K227 PolarHBondContact OE2-NZ 2.65Å; K227-G229 PolarHBondContact O-N 3.48Å; K227-G230 WeakPolarHBondContact O-CA 3.47Å; K227-G230 PolarHBondContact O-N 3.26Å
228P97.1Very high97.7Very high121 Ų12132.4 Ų32.479%0.78617%0.172SC*.THydrogen-bonded Turntrans-53.5133171.2-25.635000111.4G230P228-G230 VanDerWaalsContact C-N 3.26Å
229G95.3Very high97.7Very high40 Ų4032.8 Ų32.841%0.41217%0.174SC..THydrogen-bonded Turntrans83.3-6.3-17200000114.4K227 R297 K298K227-G229 PolarHBondContact O-N 3.48Å; G229-R297 PolarHBondContact O-NE 3.01Å; G229-R297 PolarHBondContact O-NH2 2.65Å; G229-K298 WeakPolarHBondContact CA-O 3.41Å; G229-K298 PolarHBondContact N-O 3.21Å
230G98.3Very high97.7Very high3 Ų335.7 Ų35.73%0.03119%0.189CC..  trans-63.6161172.900000112.5D199 K227 P228 R297 K298D199-G230 CarbonylContact O-C 3.5Å; D199-G230 VanDerWaalsContact O-CA 3.3Å; D199-G230 WeakPolarHBondContact O-CA 3.09Å; K227-G230 WeakPolarHBondContact O-CA 3.47Å; K227-G230 PolarHBondContact O-N 3.26Å; P228-G230 VanDerWaalsContact C-N 3.26Å; G230-R297 WeakPolarHBondContact O-CA 3.19Å; G230-R297 PolarHBondContact O-NE 3.15Å; G230-K298 PolarHBondContact O-N 3.11Å
231G98.6Very high97.8Very high0 Ų035.8 Ų35.80%019%0.189CC..EExtended strand (participates in β ladder)trans-127.2158.7-177.100000113.6D199 L200 Y201 A296D199-G231 PolarHBondContact O-N 3.13Å; L200-G231 WeakPolarHBondContact CA-O 3.35Å; Y201-G231 PolarHBondContact N-O 3.49Å; G231-A296 WeakPolarHBondContact CA-O 3.37Å
232I98.8Very high97.8Very high0 Ų036.2 Ų36.20%020%0.197CC..EExtended strand (participates in β ladder)trans-125.3124.2163.4-172.1173.8000109.1Y201 L203 L219 I222 V234 L274 F279 L295 A296Y201-I232 CarbonylContact O-C 3.5Å; Y201-I232 WeakPolarHBondContact O-CA 3.19Å; L203-I232 HydrophobicContact CD1-CD1 3.96Å; L219-I232 HydrophobicContact CD2-CD1 3.44Å; L219-I232 VanDerWaalsContact CD2-CD1 3.44Å; I222-I232 HydrophobicContact CD1-CD1 4.1Å; I222-I232 HydrophobicContact CG2-CD1 4.23Å; I232-V234 HydrophobicContact CD1-CG2 4.34Å; I232-V234 HydrophobicContact CG1-CG2 4.24Å; I232-L274 HydrophobicContact CD1-CD2 4.06Å; I232-L274 HydrophobicContact CG2-CD2 3.73Å; I232-F279 HydrophobicContact CB-CD1 4.48Å; I232-F279 HydrophobicContact CB-CE1 3.91Å; I232-F279 HydrophobicContact CB-CZ 3.97Å; I232-F279 HydrophobicContact CD1-CE2 4.15Å; I232-F279 HydrophobicContact CD1-CZ 4.11Å; I232-F279 HydrophobicContact CG2-CD1 3.64Å; I232-F279 HydrophobicContact CG2-CD2 4.13Å; I232-F279 HydrophobicContact CG2-CE1 3.56Å; I232-F279 HydrophobicContact CG2-CE2 4.05Å; I232-F279 HydrophobicContact CG2-CG 3.94Å; I232-F279 HydrophobicContact CG2-CZ 3.77Å; I232-L295 WeakPolarHBondContact O-CA 3.44Å; I232-A296 HydrophobicContact CG2-CB 3.99Å; I232-A296 PolarHBondContact N-O 2.8Å; I232-A296 PolarHBondContact O-N 2.91Å; I232-A296 VanDerWaalsContact O-N 3.12Å
233L98.9Very high97.9Very high0 Ų044.5 Ų44.50%023%0.228CC..EExtended strand (participates in β ladder)trans-104.8109.3174.7-179.368.3000108.7L172 F175 L177 L200 Y201 I202 L203 I235 A293 I294L172-L233 HydrophobicContact CD2-CD2 4.35Å; F175-L233 HydrophobicContact CD2-CD1 4.15Å; F175-L233 HydrophobicContact CE2-CD1 4.49Å; L177-L233 HydrophobicContact CD1-CD2 3.75Å; L177-L233 HydrophobicContact CD2-CD2 4.39Å; L200-L233 HydrophobicContact CD1-CB 3.97Å; L200-L233 HydrophobicContact CD2-CB 4.25Å; L200-L233 HydrophobicContact CD2-CD2 4.43Å; L200-L233 HydrophobicContact CG-CB 4.3Å; Y201-L233 PolarHBondContact O-N 3.47Å; I202-L233 CarbonylContact C-O 3.52Å; I202-L233 WeakPolarHBondContact CA-O 3.11Å; I202-L233 HydrophobicContact CD1-CD2 4.44Å; I202-L233 HydrophobicContact CG1-CB 4.32Å; I202-L233 HydrophobicContact CG1-CD2 4.28Å; I202-L233 HydrophobicContact CG2-CD2 4.25Å; I202-L233 HydrophobicContact CG2-CG 4.5Å; L203-L233 PolarHBondContact N-O 3.32Å; L233-I235 HydrophobicContact CD2-CD1 4.01Å; L233-I235 HydrophobicContact CD2-CG1 4.33Å; L233-I235 HydrophobicContact CG-CD1 4.26Å; L233-I235 HydrophobicContact CG-CG1 4.04Å; L233-A293 HydrophobicContact CD1-CB 4.22Å; L233-I294 CarbonylContact C-O 3.35Å; L233-I294 WeakPolarHBondContact CA-O 3.48Å
234V98.9Very high97.9Very high0 Ų050.8 Ų50.80%025%0.251CS..EExtended strand (participates in β ladder)trans-97128.3174.3173.60000108.4L203 L207 I232 E236 Y270 L274 I294L203-V234 HydrophobicContact CB-CG2 4.47Å; L203-V234 WeakPolarHBondContact O-CA 3.44Å; L207-V234 HydrophobicContact CD1-CG1 3.85Å; L207-V234 HydrophobicContact CD1-CG2 3.83Å; I232-V234 HydrophobicContact CD1-CG2 4.34Å; I232-V234 HydrophobicContact CG1-CG2 4.24Å; V234-E236 HydrophobicContact CG1-CB 4.43Å; V234-E236 HydrophobicContact CG1-CG 3.61Å; V234-Y270 HydrophobicContact CG1-CD1 4.45Å; V234-Y270 HydrophobicContact CG1-CE1 4.33Å; V234-L274 HydrophobicContact CG2-CD2 4.48Å; V234-I294 HydrophobicContact CB-CB 4.09Å; V234-I294 HydrophobicContact CB-CG2 4.44Å; V234-I294 HydrophobicContact CG1-CD1 4.41Å; V234-I294 PolarHBondContact N-O 2.96Å; V234-I294 PolarHBondContact O-N 3.28Å
235I98.8Very high97.8Very high4 Ų444.2 Ų44.22%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-121.1104179.7-56.4173000108.4W164 V171 L172 I202 L203 A204 R205 L233 D292W164-I235 HydrophobicContact CH2-CG2 4.06Å; W164-I235 HydrophobicContact CZ3-CG2 4.02Å; V171-I235 HydrophobicContact CB-CD1 4.16Å; V171-I235 HydrophobicContact CB-CG1 4.38Å; V171-I235 HydrophobicContact CB-CG2 3.93Å; V171-I235 HydrophobicContact CG1-CG2 3.81Å; V171-I235 HydrophobicContact CG2-CD1 3.87Å; V171-I235 HydrophobicContact CG2-CG2 4.01Å; L172-I235 HydrophobicContact CD2-CD1 4.3Å; I202-I235 HydrophobicContact CG2-CD1 3.92Å; L203-I235 PolarHBondContact O-N 3.07Å; A204-I235 WeakPolarHBondContact CA-O 3.45Å; A204-I235 HydrophobicContact CB-CB 3.91Å; A204-I235 HydrophobicContact CB-CD1 4.25Å; A204-I235 HydrophobicContact CB-CG2 4.48Å; R205-I235 PolarHBondContact N-O 2.67Å; L233-I235 HydrophobicContact CD2-CD1 4.01Å; L233-I235 HydrophobicContact CD2-CG1 4.33Å; L233-I235 HydrophobicContact CG-CD1 4.26Å; L233-I235 HydrophobicContact CG-CG1 4.04Å; I235-D292 WeakPolarHBondContact CA-O 3.16Å
236E98.8Very high97.9Very high1 Ų144.2 Ų44.21%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-145.3166.8-173.5-63.5-69.1-171.500109.8R205 V206 L207 H208 V234 Y270 D292R205-E236 WeakPolarHBondContact CA-OE1 3.5Å; R205-E236 WeakPolarHBondContact CA-OE2 3.45Å; R205-E236 PolarHBondContact N-OE1 3.2Å; V206-E236 PolarHBondContact N-OE1 2.94Å; L207-E236 PolarHBondContact N-OE1 3.03Å; H208-E236 IonicContact CD2-OE2 2.65Å; H208-E236 IonicContact CG-OE2 2.67Å; H208-E236 PolarHBondContact N-OE1 3Å; H208-E236 IonicContact ND1-OE2 3.32Å; V234-E236 HydrophobicContact CG1-CB 4.43Å; V234-E236 HydrophobicContact CG1-CG 3.61Å; E236-Y270 HydrophobicContact CB-CE2 4.13Å; E236-Y270 WeakPolarHBondContact CB-OH 3.12Å; E236-Y270 HydrophobicContact CG-CE1 4.28Å; E236-Y270 WeakPolarHBondContact CG-OH 3.44Å; E236-D292 PolarHBondContact N-O 3.48Å; E236-D292 PolarHBondContact O-N 3.23Å
237S98.7Very high98.1Very high1 Ų149.8 Ų49.81%0.00725%0.252CS..  trans-87.4115.4175-165.60000109.9L239 T249 I290S237-L239 PolarHBondContact O-N 3.07Å; S237-T249 WeakPolarHBondContact O-CG2 3.35Å; S237-T249 WeakPolarHBondContact OG-CG2 3.43Å; S237-T249 PolarHBondContact OG-OG1 3.43Å; S237-I290 VanDerWaalsContact CB-O 3.26Å; S237-I290 WeakPolarHBondContact CB-O 3.47Å; S237-I290 PolarHBondContact OG-O 3.37Å
238L98.9Very high98.3Very high1 Ų148.8 Ų48.81%0.00525%0.251CS..PPolyproline II helixtrans-84.2121.7-172.6-63.2170.1000112.3P267 Y270 F284 D292 I294L238-P267 HydrophobicContact CB-CG 4.48Å; L238-P267 HydrophobicContact CD1-CG 4.29Å; L238-P267 HydrophobicContact CD2-CG 4.41Å; L238-Y270 HydrophobicContact CD2-CD2 3.64Å; L238-Y270 HydrophobicContact CD2-CE2 3.78Å; L238-F284 HydrophobicContact CD1-CB 4.27Å; L238-F284 HydrophobicContact CD1-CD2 3.7Å; L238-F284 HydrophobicContact CD1-CG 4.34Å; L238-D292 HydrophobicContact CB-CB 4.41Å; L238-D292 VanDerWaalsContact CB-OD2 3.31Å; L238-D292 WeakPolarHBondContact CB-OD2 3.46Å; L238-D292 HydrophobicContact CD1-CB 3.45Å; L238-D292 VanDerWaalsContact CD1-CB 3.45Å; L238-D292 HydrophobicContact CG-CB 3.71Å; L238-D292 PolarHBondContact N-OD2 3.19Å; L238-D292 VanDerWaalsContact N-OD2 3.15Å; L238-I294 HydrophobicContact CD2-CD1 3.67Å; L238-I294 HydrophobicContact CD2-CG1 4.39Å
239L98.8Very high98.3Very high8 Ų843.3 Ų43.34%0.04222%0.216CC..PPolyproline II helixtrans-65.2145.9165.4-77.6172.9000110.6S237 R243 T249 Q250 E264 R265 T266 P267S237-L239 PolarHBondContact O-N 3.07Å; L239-R243 HydrophobicContact CD1-CB 4.5Å; L239-R243 HydrophobicContact CD1-CG 4.43Å; L239-T249 HydrophobicContact CD2-CG2 3.71Å; L239-T249 HydrophobicContact CG-CG2 3.82Å; L239-Q250 HydrophobicContact CD2-CG 3.88Å; L239-E264 HydrophobicContact CD1-CB 4.13Å; L239-E264 WeakPolarHBondContact CD1-O 3.27Å; L239-E264 HydrophobicContact CG-CB 4.16Å; L239-R265 PolarHBondContact N-O 3.3Å; L239-R265 VanDerWaalsContact N-O 3.16Å; L239-T266 HydrophobicContact CB-CG2 4.01Å; L239-P267 VanDerWaalsContact O-CD 3.23Å; L239-P267 WeakPolarHBondContact O-CD 3.41Å
240D98.8Very high98.5Very high60 Ų6044.4 Ų44.432%0.32121%0.21SC..PPolyproline II helixtrans-59.7151.9162.8-65.7-29.5000109.8D242 R243 G245 T266 K286D240-D242 PolarHBondContact O-N 2.92Å; D240-D242 VanDerWaalsContact O-N 3.13Å; D240-R243 VanDerWaalsContact O-CA 3.31Å; D240-R243 WeakPolarHBondContact O-CA 3.37Å; D240-R243 PolarHBondContact O-N 2.87Å; D240-G245 WeakPolarHBondContact CB-O 3.45Å; D240-G245 PolarHBondContact N-O 3.3Å; D240-G245 VanDerWaalsContact OD2-C 3.23Å; D240-G245 WeakPolarHBondContact OD2-CA 3.43Å; D240-T266 WeakPolarHBondContact O-CG2 3.45Å; D240-K286 IonicContact OD1-NZ 3.63Å; D240-K286 PolarHBondContact OD1-NZ 3.01Å
241E98.7Very high98.5Very high92 Ų9247.9 Ų47.943%0.4323%0.227SC..THydrogen-bonded Turntrans-61.8-27.2-172.7-72.9-66.3-178.500113.7R243 T266 T268E241-R243 VanDerWaalsContact C-N 3.25Å; E241-R243 PolarHBondContact O-N 3.03Å; E241-T266 WeakPolarHBondContact OE2-CB 3.43Å; E241-T266 PolarHBondContact OE2-OG1 3.29Å; E241-T268 WeakPolarHBondContact OE1-CB 3.41Å; E241-T268 PolarHBondContact OE1-N 2.84Å; E241-T268 PolarHBondContact OE1-OG1 3.29Å; E241-T268 WeakPolarHBondContact OE2-CB 3.37Å; E241-T268 PolarHBondContact OE2-OG1 2.87Å
242D98.4Very high98.5Very high77 Ų7750 Ų5041%0.41224%0.236SC..THydrogen-bonded Turntrans-83.5-1.6174.371.61000113.7D240 R244D240-D242 PolarHBondContact O-N 2.92Å; D240-D242 VanDerWaalsContact O-N 3.13Å; D242-R244 PolarHBondContact O-N 3.36Å; D242-R244 WeakPolarHBondContact OD1-CB 3.49Å; D242-R244 PolarHBondContact OD1-N 3.04Å; D242-R244 IonicContact OD2-CZ 3Å; D242-R244 IonicContact OD2-NE 2.82Å; D242-R244 PolarHBondContact OD2-NE 2.99Å; D242-R244 IonicContact OD2-NH2 3.86Å; D242-R244 PolarHBondContact OD2-NH2 3.4Å
243R98.3Very high98.5Very high174 Ų17451.2 Ų51.266%0.65724%0.244SC*.SBendtrans62.717.4-179.4-56.1172.2-73.2-126-0.5114.5L239 D240 E241 Q250 T266L239-R243 HydrophobicContact CD1-CB 4.5Å; L239-R243 HydrophobicContact CD1-CG 4.43Å; D240-R243 VanDerWaalsContact O-CA 3.31Å; D240-R243 WeakPolarHBondContact O-CA 3.37Å; D240-R243 PolarHBondContact O-N 2.87Å; E241-R243 VanDerWaalsContact C-N 3.25Å; E241-R243 PolarHBondContact O-N 3.03Å; R243-Q250 PolarHBondContact O-NE2 3.33Å; R243-T266 HydrophobicContact CG-CG2 3.62Å
244R98.3Very high98.5Very high184 Ų18453.8 Ų53.869%0.69426%0.258SS*.  trans-10210.8-177.4-68.9-179.2-64.8162.3-2114.3D242 Q250D242-R244 PolarHBondContact O-N 3.36Å; D242-R244 WeakPolarHBondContact OD1-CB 3.49Å; D242-R244 PolarHBondContact OD1-N 3.04Å; D242-R244 IonicContact OD2-CZ 3Å; D242-R244 IonicContact OD2-NE 2.82Å; D242-R244 PolarHBondContact OD2-NE 2.99Å; D242-R244 IonicContact OD2-NH2 3.86Å; D242-R244 PolarHBondContact OD2-NH2 3.4Å; R244-Q250 VanDerWaalsContact C-CD 3.41Å; R244-Q250 PolarHBondContact O-OE1 3.12Å; R244-Q250 VanDerWaalsContact O-OE1 3.13Å
245G96.1Very high98.5Very high6 Ų655.2 Ų55.26%0.06227%0.265CS..  trans-173.6173.2175.300000111.9D240D240-G245 WeakPolarHBondContact CB-O 3.45Å; D240-G245 PolarHBondContact N-O 3.3Å; D240-G245 VanDerWaalsContact OD2-C 3.23Å; D240-G245 WeakPolarHBondContact OD2-CA 3.43Å
246P98.5Very high98.5Very high57 Ų5755.7 Ų55.737%0.3727%0.267SS..  cis-64.5153.6-13.9-20.433.6000112.5L248 T249 Q250P246-L248 VanDerWaalsContact C-N 3.28Å; P246-L248 PolarHBondContact O-N 3.12Å; P246-T249 WeakPolarHBondContact O-CB 3.16Å; P246-T249 PolarHBondContact O-N 3Å; P246-Q250 PolarHBondContact O-N 2.91Å
247L98.5Very high98.5Very high121 Ų12158 Ų5863%0.63428%0.279SS*.Hα-helixtrans-54.4-42-176.8176.561.2000112.9T249 Q250 L251L247-T249 PolarHBondContact O-N 3.3Å; L247-Q250 WeakPolarHBondContact O-CB 3.24Å; L247-Q250 PolarHBondContact O-N 3.41Å; L247-L251 HydrophobicContact CD1-CG 4.45Å; L247-L251 HydrophobicContact CG-CD1 4.36Å; L247-L251 WeakPolarHBondContact O-CG 3.44Å; L247-L251 PolarHBondContact O-N 3Å
248L98.3Very high98.5Very high75 Ų7557.9 Ų57.939%0.39328%0.279SS..Hα-helixtrans-61.9-43.1178.5-176.263.4000111.7P246 Q250 L251 Y252 I290P246-L248 VanDerWaalsContact C-N 3.28Å; P246-L248 PolarHBondContact O-N 3.12Å; L248-Q250 VanDerWaalsContact C-N 3.33Å; L248-Q250 PolarHBondContact O-N 3.48Å; L248-L251 WeakPolarHBondContact O-CB 3.41Å; L248-L251 PolarHBondContact O-N 2.7Å; L248-Y252 HydrophobicContact CD1-CD1 4.19Å; L248-Y252 HydrophobicContact CD1-CE1 3.61Å; L248-Y252 HydrophobicContact CG-CD1 4.41Å; L248-Y252 HydrophobicContact CG-CE1 3.98Å; L248-Y252 WeakPolarHBondContact O-CD1 3.47Å; L248-Y252 PolarHBondContact O-N 3.18Å; L248-I290 HydrophobicContact CD2-CD1 3.95Å; L248-I290 HydrophobicContact CD2-CG1 3.88Å; L248-I290 HydrophobicContact CD2-CG2 4.4Å
249T98.8Very high98.5Very high6 Ų658.2 Ų58.24%0.03728%0.28CS..Hα-helixtrans-66.7-34.9177.4-49.30000111.7S237 L239 P246 L247 Y252 S253 E264S237-T249 WeakPolarHBondContact O-CG2 3.35Å; S237-T249 WeakPolarHBondContact OG-CG2 3.43Å; S237-T249 PolarHBondContact OG-OG1 3.43Å; L239-T249 HydrophobicContact CD2-CG2 3.71Å; L239-T249 HydrophobicContact CG-CG2 3.82Å; P246-T249 WeakPolarHBondContact O-CB 3.16Å; P246-T249 PolarHBondContact O-N 3Å; L247-T249 PolarHBondContact O-N 3.3Å; T249-Y252 PolarHBondContact O-N 3.48Å; T249-S253 PolarHBondContact O-N 3.45Å; T249-E264 HydrophobicContact CG2-CB 4.04Å; T249-E264 HydrophobicContact CG2-CG 4.11Å
250Q98.8Very high98.4Very high63 Ų6358.2 Ų58.229%0.29428%0.281SS..Hα-helixtrans-64.3-42.5172.5-65.2173.5-79.400111.7L239 R243 R244 P246 L247 L248 Y252 S253 L254L239-Q250 HydrophobicContact CD2-CG 3.88Å; R243-Q250 PolarHBondContact O-NE2 3.33Å; R244-Q250 VanDerWaalsContact C-CD 3.41Å; R244-Q250 PolarHBondContact O-OE1 3.12Å; R244-Q250 VanDerWaalsContact O-OE1 3.13Å; P246-Q250 PolarHBondContact O-N 2.91Å; L247-Q250 WeakPolarHBondContact O-CB 3.24Å; L247-Q250 PolarHBondContact O-N 3.41Å; L248-Q250 VanDerWaalsContact C-N 3.33Å; L248-Q250 PolarHBondContact O-N 3.48Å; Q250-Y252 VanDerWaalsContact C-N 3.3Å; Q250-Y252 PolarHBondContact O-N 2.99Å; Q250-S253 PolarHBondContact O-N 3Å; Q250-L254 PolarHBondContact O-N 3.2Å
251L98.8Very high98.4Very high75 Ų7558.5 Ų58.539%0.39328%0.28SS..Hα-helixtrans-63.8-35.9173.8-68.8170.8000111.6W117 L247 L248 L254 N255W117-L251 HydrophobicContact CH2-CD2 4.07Å; L247-L251 HydrophobicContact CD1-CG 4.45Å; L247-L251 HydrophobicContact CG-CD1 4.36Å; L247-L251 WeakPolarHBondContact O-CG 3.44Å; L247-L251 PolarHBondContact O-N 3Å; L248-L251 WeakPolarHBondContact O-CB 3.41Å; L248-L251 PolarHBondContact O-N 2.7Å; L251-L254 PolarHBondContact O-N 3.13Å; L251-N255 WeakPolarHBondContact O-CB 3.28Å; L251-N255 PolarHBondContact O-N 2.93Å
252Y98.7Very high98.4Very high46 Ų4654.6 Ų54.618%0.1827%0.265CS..Hα-helixtrans-66.3-40.8173.4-75.910.9000111.8L248 T249 Q250 L254 N255 M256 I290L248-Y252 HydrophobicContact CD1-CD1 4.19Å; L248-Y252 HydrophobicContact CD1-CE1 3.61Å; L248-Y252 HydrophobicContact CG-CD1 4.41Å; L248-Y252 HydrophobicContact CG-CE1 3.98Å; L248-Y252 WeakPolarHBondContact O-CD1 3.47Å; L248-Y252 PolarHBondContact O-N 3.18Å; T249-Y252 PolarHBondContact O-N 3.48Å; Q250-Y252 VanDerWaalsContact C-N 3.3Å; Q250-Y252 PolarHBondContact O-N 2.99Å; Y252-L254 VanDerWaalsContact C-N 3.31Å; Y252-L254 PolarHBondContact O-N 3.18Å; Y252-N255 CarbonylContact O-C 3.55Å; Y252-N255 WeakPolarHBondContact O-CA 3.32Å; Y252-N255 VanDerWaalsContact O-CB 3.25Å; Y252-N255 WeakPolarHBondContact O-CB 3.31Å; Y252-N255 PolarHBondContact O-N 3.37Å; Y252-N255 VanDerWaalsContact O-N 3.07Å; Y252-M256 WeakPolarHBondContact O-CG 3.34Å; Y252-M256 PolarHBondContact O-N 3.31Å; Y252-I290 HydrophobicContact CD2-CG2 4.5Å; Y252-I290 HydrophobicContact CE2-CG2 3.63Å
253S98.8Very high98.4Very high24 Ų2454.9 Ų54.917%0.16826%0.264CS..Hα-helixtrans-62-40.9174.7-155.40000111.8T249 Q250 N255 M256 L257 E264T249-S253 PolarHBondContact O-N 3.45Å; Q250-S253 PolarHBondContact O-N 3Å; S253-N255 VanDerWaalsContact C-N 3.32Å; S253-M256 WeakPolarHBondContact O-CB 3.47Å; S253-M256 PolarHBondContact O-N 2.91Å; S253-L257 PolarHBondContact O-N 3.08Å; S253-L257 VanDerWaalsContact O-N 3.11Å; S253-E264 PolarHBondContact OG-N 3.42Å
254L98.8Very high98.4Very high55 Ų5546.6 Ų46.629%0.28823%0.232SC..Hα-helixtrans-68.1-33.7173.5-168.258.8000112.1W117 L120 V124 Q250 L251 Y252 M256 L257 V258W117-L254 HydrophobicContact CH2-CB 4.22Å; W117-L254 HydrophobicContact CH2-CD2 3.91Å; W117-L254 HydrophobicContact CH2-CG 4.11Å; W117-L254 HydrophobicContact CZ3-CD2 4.09Å; L120-L254 HydrophobicContact CD1-CD1 3.9Å; L120-L254 HydrophobicContact CD1-CD2 3.86Å; L120-L254 HydrophobicContact CD1-CG 3.78Å; L120-L254 HydrophobicContact CD2-CD2 4.27Å; V124-L254 HydrophobicContact CG2-CD1 4.23Å; Q250-L254 PolarHBondContact O-N 3.2Å; L251-L254 PolarHBondContact O-N 3.13Å; Y252-L254 VanDerWaalsContact C-N 3.31Å; Y252-L254 PolarHBondContact O-N 3.18Å; L254-M256 VanDerWaalsContact C-N 3.32Å; L254-L257 HydrophobicContact CD1-CD2 3.93Å; L254-L257 WeakPolarHBondContact O-CB 3.38Å; L254-L257 PolarHBondContact O-N 3.18Å; L254-V258 VanDerWaalsContact O-CG2 3.32Å; L254-V258 WeakPolarHBondContact O-CG2 3.44Å; L254-V258 PolarHBondContact O-N 3.2Å
255N98.8Very high98.5Very high30 Ų3037.9 Ų37.916%0.1620%0.199CC..Hα-helixtrans-63.7-37.6172.2-173.272.4000112W117 L251 Y252 S253 V258 Q259W117-N255 HydrophobicContact CZ2-CB 3.97Å; W117-N255 PolarHBondContact NE1-OD1 3.28Å; L251-N255 WeakPolarHBondContact O-CB 3.28Å; L251-N255 PolarHBondContact O-N 2.93Å; Y252-N255 CarbonylContact O-C 3.55Å; Y252-N255 WeakPolarHBondContact O-CA 3.32Å; Y252-N255 VanDerWaalsContact O-CB 3.25Å; Y252-N255 WeakPolarHBondContact O-CB 3.31Å; Y252-N255 PolarHBondContact O-N 3.37Å; Y252-N255 VanDerWaalsContact O-N 3.07Å; S253-N255 VanDerWaalsContact C-N 3.32Å; N255-V258 PolarHBondContact O-N 3.32Å; N255-Q259 PolarHBondContact ND2-NE2 2.85Å; N255-Q259 WeakPolarHBondContact O-CB 3.5Å; N255-Q259 PolarHBondContact O-N 3.24Å; N255-Q259 PolarHBondContact OD1-NE2 2.65Å
256M98.6Very high98.6Very high13 Ų1338.1 Ų38.16%0.06420%0.2CC..Hα-helixtrans-63.7-43.4173.6-65.4-56.993.300110.9H208 Y252 S253 L254 V258 Q259 T260 G262H208-M256 HydrophobicContact CB-CG 4.4Å; H208-M256 HydrophobicContact CB-SD 4.28Å; Y252-M256 WeakPolarHBondContact O-CG 3.34Å; Y252-M256 PolarHBondContact O-N 3.31Å; S253-M256 WeakPolarHBondContact O-CB 3.47Å; S253-M256 PolarHBondContact O-N 2.91Å; L254-M256 VanDerWaalsContact C-N 3.32Å; M256-V258 VanDerWaalsContact C-N 3.3Å; M256-V258 PolarHBondContact O-N 3.04Å; M256-Q259 PolarHBondContact O-N 2.8Å; M256-T260 WeakPolarHBondContact CA-OG1 3.36Å; M256-T260 WeakPolarHBondContact CB-OG1 3.45Å; M256-T260 HydrophobicContact CE-CG2 3.96Å; M256-T260 CarbonylContact O-C 3.36Å; M256-T260 WeakPolarHBondContact O-CA 3.43Å; M256-T260 PolarHBondContact O-N 3.07Å; M256-T260 PolarHBondContact O-OG1 2.88Å; M256-T260 HydrophobicContact SD-CG2 3.62Å; M256-G262 WeakPolarHBondContact CB-O 3.21Å
257L98.7Very high98.6Very high49 Ų4935.7 Ų35.726%0.25718%0.184SC..Hα-helixtrans-56.5-44.8172.7175.164.6000112.3V124 R128 N129 S253 L254 Q259V124-L257 HydrophobicContact CG2-CD2 4.37Å; R128-L257 CarbonylContact C-O 3.58Å; N129-L257 WeakPolarHBondContact CA-O 3.32Å; N129-L257 PolarHBondContact N-O 2.95Å; S253-L257 PolarHBondContact O-N 3.08Å; S253-L257 VanDerWaalsContact O-N 3.11Å; L254-L257 HydrophobicContact CD1-CD2 3.93Å; L254-L257 WeakPolarHBondContact O-CB 3.38Å; L254-L257 PolarHBondContact O-N 3.18Å; L257-Q259 VanDerWaalsContact C-N 3.34Å; L257-Q259 PolarHBondContact O-N 2.95Å
258V98.6Very high98.6Very high0 Ų033.3 Ų33.30%017%0.174CC..Hα-helixtrans-71.6-28-175.1170.30000112.7C116 L120 A123 N129 Q130 L254 N255 M256C116-V258 HydrophobicContact CB-CG1 3.58Å; L120-V258 HydrophobicContact CD1-CG2 3.55Å; A123-V258 HydrophobicContact CB-CG2 3.89Å; N129-V258 WeakPolarHBondContact CA-O 3.31Å; N129-V258 WeakPolarHBondContact CB-O 3.37Å; Q130-V258 PolarHBondContact N-O 3.32Å; Q130-V258 VanDerWaalsContact N-O 3.15Å; L254-V258 VanDerWaalsContact O-CG2 3.32Å; L254-V258 WeakPolarHBondContact O-CG2 3.44Å; L254-V258 PolarHBondContact O-N 3.2Å; N255-V258 PolarHBondContact O-N 3.32Å; M256-V258 VanDerWaalsContact C-N 3.3Å; M256-V258 PolarHBondContact O-N 3.04Å
259Q98.1Very high98.7Very high7 Ų731.3 Ų31.33%0.03316%0.163CC..Hα-helixtrans-122.7-35.4-169.7-61.9-163.879.100114.5S113 C116 Y131 L142 N255 M256 L257S113-Q259 PolarHBondContact OG-NE2 2.71Å; C116-Q259 HydrophobicContact CB-CG 4.11Å; Y131-Q259 WeakPolarHBondContact CD2-O 3.34Å; Y131-Q259 HydrophobicContact CE2-CB 3.97Å; Y131-Q259 WeakPolarHBondContact CE2-O 3.41Å; L142-Q259 WeakPolarHBondContact CD1-O 3.25Å; N255-Q259 PolarHBondContact ND2-NE2 2.85Å; N255-Q259 WeakPolarHBondContact O-CB 3.5Å; N255-Q259 PolarHBondContact O-N 3.24Å; N255-Q259 PolarHBondContact OD1-NE2 2.65Å; M256-Q259 PolarHBondContact O-N 2.8Å; L257-Q259 VanDerWaalsContact C-N 3.34Å; L257-Q259 PolarHBondContact O-N 2.95Å
260T98.1Very high98.7Very high8 Ų831 Ų315%0.04916%0.161CC..SBendtrans-108.5-161.4-172.575.80000111.4N129 L142 D209 M256 G262N129-T260 WeakPolarHBondContact CB-O 2.97Å; N129-T260 PolarHBondContact ND2-O 2.97Å; L142-T260 HydrophobicContact CD2-CG2 4.45Å; D209-T260 WeakPolarHBondContact O-CB 3.33Å; D209-T260 PolarHBondContact O-OG1 3.28Å; M256-T260 WeakPolarHBondContact CA-OG1 3.36Å; M256-T260 WeakPolarHBondContact CB-OG1 3.45Å; M256-T260 HydrophobicContact CE-CG2 3.96Å; M256-T260 CarbonylContact O-C 3.36Å; M256-T260 WeakPolarHBondContact O-CA 3.43Å; M256-T260 PolarHBondContact O-N 3.07Å; M256-T260 PolarHBondContact O-OG1 2.88Å; M256-T260 HydrophobicContact SD-CG2 3.62Å; T260-G262 PolarHBondContact OG1-N 2.81Å; T260-G262 VanDerWaalsContact OG1-N 3.12Å
261E98.1Very high98.7Very high66 Ų6632 Ų3231%0.30817%0.165SC..SBendtrans-106.84.8170.2-63.5173-16800111.5D209 W210 A211 K214D209-E261 CarbonylContact O-C 3.57Å; D209-E261 WeakPolarHBondContact O-CA 3.39Å; D209-E261 PolarHBondContact O-N 2.73Å; W210-E261 HydrophobicContact CE3-CB 4.47Å; A211-E261 PolarHBondContact N-O 2.96Å; K214-E261 IonicContact NZ-OE1 2.78Å; K214-E261 PolarHBondContact NZ-OE1 2.92Å; K214-E261 IonicContact NZ-OE2 3.92Å; K214-E261 PolarHBondContact NZ-OE2 3.11Å
262G98.2Very high98.7Very high10 Ų1033.5 Ų33.510%0.10317%0.172CC..  trans-121.7-157.9-164.900000114.7H208 D209 W210 M256 T260H208-G262 CarbonylContact O-C 3.51Å; H208-G262 VanDerWaalsContact O-CA 3.27Å; H208-G262 WeakPolarHBondContact O-CA 3.16Å; D209-G262 PolarHBondContact O-N 3.23Å; W210-G262 WeakPolarHBondContact O-CA 3.4Å; M256-G262 WeakPolarHBondContact CB-O 3.21Å; T260-G262 PolarHBondContact OG1-N 2.81Å; T260-G262 VanDerWaalsContact OG1-N 3.12Å
263Q98.8Very high98.7Very high84 Ų8431.8 Ų31.839%0.39317%0.166SC..  trans-163.9155.5-174.353.4175.8100.700110.5H208 R265H208-Q263 PolarHBondContact O-N 3.4Å; H208-Q263 VanDerWaalsContact O-N 3.09Å; Q263-R265 HydrophobicContact CG-CG 4.2Å; Q263-R265 PolarHBondContact O-NH1 3.19Å
264E98.8Very high98.7Very high0 Ų030.7 Ų30.70%016%0.158CC..  trans-72.1152.9162.3-57.1-62.4163.600109.7H208 L239 T249 S253H208-E264 IonicContact CE1-OE1 3.61Å; H208-E264 IonicContact CG-OE1 3.64Å; H208-E264 IonicContact ND1-OE1 3.33Å; H208-E264 PolarHBondContact ND1-OE1 2.81Å; H208-E264 IonicContact ND1-OE2 3.89Å; L239-E264 HydrophobicContact CD1-CB 4.13Å; L239-E264 WeakPolarHBondContact CD1-O 3.27Å; L239-E264 HydrophobicContact CG-CB 4.16Å; T249-E264 HydrophobicContact CG2-CB 4.04Å; T249-E264 HydrophobicContact CG2-CG 4.11Å; S253-E264 PolarHBondContact OG-N 3.42Å
265R98.9Very high98.7Very high1 Ų130.3 Ų30.30%0.00416%0.16CC..  trans-135.6157.3-170-63.4-179.4176.585-9.3111.8L207 W210 D212 L239 Q263 H269 Y270L207-R265 PolarHBondContact O-NH1 2.93Å; W210-R265 PolarHBondContact O-NH2 3.11Å; D212-R265 IonicContact OD1-CZ 2.65Å; D212-R265 IonicContact OD1-NE 2.78Å; D212-R265 PolarHBondContact OD1-NE 2.91Å; D212-R265 IonicContact OD1-NH2 3.97Å; D212-R265 PolarHBondContact OD1-NH2 3.5Å; L239-R265 PolarHBondContact N-O 3.3Å; L239-R265 VanDerWaalsContact N-O 3.16Å; Q263-R265 HydrophobicContact CG-CG 4.2Å; Q263-R265 PolarHBondContact O-NH1 3.19Å; R265-H269 HydrophobicContact CB-CB 4.06Å; R265-H269 WeakPolarHBondContact CG-ND1 3.42Å; R265-Y270 HydrophobicContact CB-CD2 3.94Å; R265-Y270 HydrophobicContact CB-CE1 4.3Å; R265-Y270 HydrophobicContact CB-CE2 3.59Å; R265-Y270 HydrophobicContact CB-CG 4.45Å
266T98.9Very high98.7Very high11 Ų1133.4 Ų33.47%0.06718%0.184CC..  trans-80.7162.5175.679.30000110.7L239 D240 E241 R243 T268 H269 Y270L239-T266 HydrophobicContact CB-CG2 4.01Å; D240-T266 WeakPolarHBondContact O-CG2 3.45Å; E241-T266 WeakPolarHBondContact OE2-CB 3.43Å; E241-T266 PolarHBondContact OE2-OG1 3.29Å; R243-T266 HydrophobicContact CG-CG2 3.62Å; T266-T268 VanDerWaalsContact C-N 3.27Å; T266-T268 PolarHBondContact O-N 3.31Å; T266-T268 PolarHBondContact OG1-N 3.29Å; T266-H269 PolarHBondContact O-N 2.89Å; T266-H269 VanDerWaalsContact O-N 3.1Å; T266-H269 PolarHBondContact OG1-N 2.95Å; T266-Y270 WeakPolarHBondContact O-CD2 3.41Å; T266-Y270 PolarHBondContact O-N 3.13Å
267P98.9Very high98.7Very high6 Ų633.1 Ų33.14%0.03918%0.184CC..Hα-helixtrans-52.8-44.2172.8-25.732.6000112.7L238 L239 H269 Y270 H271 F282 F284L238-P267 HydrophobicContact CB-CG 4.48Å; L238-P267 HydrophobicContact CD1-CG 4.29Å; L238-P267 HydrophobicContact CD2-CG 4.41Å; L239-P267 VanDerWaalsContact O-CD 3.23Å; L239-P267 WeakPolarHBondContact O-CD 3.41Å; P267-H269 VanDerWaalsContact C-N 3.33Å; P267-H269 PolarHBondContact O-N 3.16Å; P267-Y270 PolarHBondContact O-N 3.36Å; P267-H271 WeakPolarHBondContact O-CB 3.44Å; P267-H271 PolarHBondContact O-N 2.92Å; P267-F282 WeakPolarHBondContact O-CZ 3.18Å; P267-F284 HydrophobicContact CB-CD1 3.88Å; P267-F284 HydrophobicContact CB-CD2 4.26Å; P267-F284 HydrophobicContact CB-CE1 3.83Å; P267-F284 HydrophobicContact CB-CE2 4.22Å; P267-F284 HydrophobicContact CB-CG 4.09Å; P267-F284 HydrophobicContact CB-CZ 4Å; P267-F284 HydrophobicContact CG-CD2 4.06Å; P267-F284 HydrophobicContact CG-CE1 4.28Å; P267-F284 HydrophobicContact CG-CE2 3.81Å; P267-F284 HydrophobicContact CG-CG 4.39Å; P267-F284 HydrophobicContact CG-CZ 3.93Å
268T98.9Very high98.7Very high70 Ų7031.3 Ų31.343%0.42918%0.177SC..Hα-helixtrans-61.3-39.1177.3-64.80000112.5E241 T266 H271 M272E241-T268 WeakPolarHBondContact OE1-CB 3.41Å; E241-T268 PolarHBondContact OE1-N 2.84Å; E241-T268 PolarHBondContact OE1-OG1 3.29Å; E241-T268 WeakPolarHBondContact OE2-CB 3.37Å; E241-T268 PolarHBondContact OE2-OG1 2.87Å; T266-T268 VanDerWaalsContact C-N 3.27Å; T266-T268 PolarHBondContact O-N 3.31Å; T266-T268 PolarHBondContact OG1-N 3.29Å; T268-H271 WeakPolarHBondContact O-CB 3.22Å; T268-H271 PolarHBondContact O-N 3.45Å; T268-M272 WeakPolarHBondContact O-CG 3.42Å; T268-M272 PolarHBondContact O-N 2.85Å
269H98.9Very high98.7Very high33 Ų3331.4 Ų31.415%0.15318%0.177CC..Hα-helixtrans-67-44.7177.7-169.9175.5000111.8D212 R265 T266 P267 H271 M272 L273D212-H269 IonicContact OD1-CE1 2.82Å; D212-H269 IonicContact OD1-NE2 3.25Å; D212-H269 PolarHBondContact OD1-NE2 3.29Å; D212-H269 IonicContact OD2-CD2 3.03Å; D212-H269 IonicContact OD2-CE1 2.77Å; D212-H269 PolarHBondContact OD2-CE1 3.39Å; D212-H269 IonicContact OD2-NE2 3.68Å; D212-H269 PolarHBondContact OD2-NE2 3.39Å; R265-H269 HydrophobicContact CB-CB 4.06Å; R265-H269 WeakPolarHBondContact CG-ND1 3.42Å; T266-H269 PolarHBondContact O-N 2.89Å; T266-H269 VanDerWaalsContact O-N 3.1Å; T266-H269 PolarHBondContact OG1-N 2.95Å; P267-H269 VanDerWaalsContact C-N 3.33Å; P267-H269 PolarHBondContact O-N 3.16Å; H269-H271 VanDerWaalsContact C-N 3.31Å; H269-H271 PolarHBondContact O-N 3.06Å; H269-M272 HydrophobicContact CB-CE 4.38Å; H269-M272 PolarHBondContact O-N 3.04Å; H269-L273 PolarHBondContact O-N 3.42Å; H269-L273 VanDerWaalsContact O-N 3.12Å
270Y98.9Very high98.7Very high1 Ų137.4 Ų37.40%0.00420%0.199CC..Hα-helixtrans-61-39.5172.4-77.8-62.2000112.5L207 V234 E236 L238 R265 T266 P267 M272 L273 L274 I294L207-Y270 HydrophobicContact CB-CE1 4.07Å; L207-Y270 HydrophobicContact CD1-CD1 4.22Å; L207-Y270 HydrophobicContact CD1-CE1 4.01Å; V234-Y270 HydrophobicContact CG1-CD1 4.45Å; V234-Y270 HydrophobicContact CG1-CE1 4.33Å; E236-Y270 HydrophobicContact CB-CE2 4.13Å; E236-Y270 WeakPolarHBondContact CB-OH 3.12Å; E236-Y270 HydrophobicContact CG-CE1 4.28Å; E236-Y270 WeakPolarHBondContact CG-OH 3.44Å; L238-Y270 HydrophobicContact CD2-CD2 3.64Å; L238-Y270 HydrophobicContact CD2-CE2 3.78Å; R265-Y270 HydrophobicContact CB-CD2 3.94Å; R265-Y270 HydrophobicContact CB-CE1 4.3Å; R265-Y270 HydrophobicContact CB-CE2 3.59Å; R265-Y270 HydrophobicContact CB-CG 4.45Å; T266-Y270 WeakPolarHBondContact O-CD2 3.41Å; T266-Y270 PolarHBondContact O-N 3.13Å; P267-Y270 PolarHBondContact O-N 3.36Å; Y270-M272 VanDerWaalsContact C-N 3.34Å; Y270-M272 PolarHBondContact O-N 2.98Å; Y270-L273 PolarHBondContact O-N 3.4Å; Y270-L274 WeakPolarHBondContact O-CB 3.45Å; Y270-L274 WeakPolarHBondContact O-CG 3.37Å; Y270-L274 PolarHBondContact O-N 3.45Å; Y270-I294 HydrophobicContact CD1-CD1 4.45Å; Y270-I294 HydrophobicContact CD2-CD1 3.57Å; Y270-I294 HydrophobicContact CE2-CD1 4.33Å; Y270-I294 HydrophobicContact CG-CD1 3.64Å
271H98.9Very high98.7Very high82 Ų8242.5 Ų42.538%0.3823%0.226SC..Hα-helixtrans-60.3-43.7175.2-177.3-166.4000111.6P267 T268 H269 L273 L274 S275 F282P267-H271 WeakPolarHBondContact O-CB 3.44Å; P267-H271 PolarHBondContact O-N 2.92Å; T268-H271 WeakPolarHBondContact O-CB 3.22Å; T268-H271 PolarHBondContact O-N 3.45Å; H269-H271 VanDerWaalsContact C-N 3.31Å; H269-H271 PolarHBondContact O-N 3.06Å; H271-L273 PolarHBondContact O-N 3.07Å; H271-L274 PolarHBondContact O-N 3.11Å; H271-S275 WeakPolarHBondContact O-CB 3.43Å; H271-S275 PolarHBondContact O-N 3.1Å; H271-F282 HydrophobicContact CB-CD1 3.9Å; H271-F282 HydrophobicContact CB-CD2 3.87Å; H271-F282 HydrophobicContact CB-CE1 3.85Å; H271-F282 HydrophobicContact CB-CE2 3.79Å; H271-F282 HydrophobicContact CB-CG 3.92Å; H271-F282 HydrophobicContact CB-CZ 3.8Å; H271-F282 AromaticContact CD2-CG 3.7Å; H271-F282 AromaticContact CG-CD1 3.81Å; H271-F282 AromaticContact CG-CG 3.75Å
272M98.8Very high98.7Very high108 Ų10841.4 Ų41.453%0.53222%0.221SC..Hα-helixtrans-60.3-46.1176.2-71.2-172.6-64.800111.9T268 H269 Y270 S276T268-M272 WeakPolarHBondContact O-CG 3.42Å; T268-M272 PolarHBondContact O-N 2.85Å; H269-M272 HydrophobicContact CB-CE 4.38Å; H269-M272 PolarHBondContact O-N 3.04Å; Y270-M272 VanDerWaalsContact C-N 3.34Å; Y270-M272 PolarHBondContact O-N 2.98Å; M272-S276 VanDerWaalsContact O-CB 3.28Å; M272-S276 WeakPolarHBondContact O-CB 3.4Å; M272-S276 PolarHBondContact O-N 3.42Å; M272-S276 PolarHBondContact O-OG 3.36Å
273L98.9Very high98.8Very high9 Ų945.5 Ų45.55%0.04724%0.237CC..Hα-helixtrans-60.4-50.1178.1-70.3172.8000111.7D212 C215 L219 H269 Y270 H271 S276 A277D212-L273 HydrophobicContact CB-CD2 4.08Å; C215-L273 HydrophobicContact CB-CD1 4.32Å; C215-L273 HydrophobicContact CB-CD2 4.5Å; L219-L273 HydrophobicContact CD1-CB 3.83Å; H269-L273 PolarHBondContact O-N 3.42Å; H269-L273 VanDerWaalsContact O-N 3.12Å; Y270-L273 PolarHBondContact O-N 3.4Å; H271-L273 PolarHBondContact O-N 3.07Å; L273-S276 PolarHBondContact O-N 2.91Å; L273-A277 PolarHBondContact O-N 3.28Å
274L98.9Very high98.8Very high2 Ų245.8 Ų45.81%0.0124%0.237CC..Hα-helixtrans-65.2-43.3-179.7-72.3165.9000112.5L219 I232 V234 Y270 H271 A277 G278 F279 F282 I294 A296L219-L274 HydrophobicContact CD1-CD2 4.33Å; L219-L274 HydrophobicContact CD2-CD2 3.89Å; I232-L274 HydrophobicContact CD1-CD2 4.06Å; I232-L274 HydrophobicContact CG2-CD2 3.73Å; V234-L274 HydrophobicContact CG2-CD2 4.48Å; Y270-L274 WeakPolarHBondContact O-CB 3.45Å; Y270-L274 WeakPolarHBondContact O-CG 3.37Å; Y270-L274 PolarHBondContact O-N 3.45Å; H271-L274 PolarHBondContact O-N 3.11Å; L274-A277 PolarHBondContact O-N 2.99Å; L274-G278 PolarHBondContact O-N 3.32Å; L274-F279 HydrophobicContact CB-CB 4.33Å; L274-F279 HydrophobicContact CD2-CD2 3.92Å; L274-F279 HydrophobicContact CD2-CE2 4.38Å; L274-F279 HydrophobicContact CD2-CG 4.45Å; L274-F279 WeakPolarHBondContact O-CB 3.4Å; L274-F279 PolarHBondContact O-N 2.89Å; L274-F282 HydrophobicContact CD1-CD2 3.81Å; L274-F282 HydrophobicContact CD1-CE2 3.9Å; L274-I294 HydrophobicContact CD1-CG2 3.65Å; L274-A296 HydrophobicContact CD1-CB 4.2Å
275S98.8Very high98.8Very high46 Ų4650.8 Ų50.832%0.32226%0.259SS..Hα-helixtrans-65.7-39.3-179.6-174.70000112H271 A277 G278 R280H271-S275 WeakPolarHBondContact O-CB 3.43Å; H271-S275 PolarHBondContact O-N 3.1Å; S275-A277 VanDerWaalsContact C-N 3.35Å; S275-G278 PolarHBondContact O-N 3Å; S275-G278 VanDerWaalsContact O-N 3.08Å; S275-R280 PolarHBondContact O-NH1 3.39Å
276S98.5Very high98.8Very high95 Ų9555.2 Ų55.266%0.66428%0.278SS*.Hα-helixtrans-65.4-37.3177.1-58.70000112M272 L273 G278M272-S276 VanDerWaalsContact O-CB 3.28Å; M272-S276 WeakPolarHBondContact O-CB 3.4Å; M272-S276 PolarHBondContact O-N 3.42Å; M272-S276 PolarHBondContact O-OG 3.36Å; L273-S276 PolarHBondContact O-N 2.91Å; S276-G278 PolarHBondContact O-N 2.9Å
277A98.6Very high98.7Very high8 Ų856.5 Ų56.57%0.06629%0.286CS..Hα-helixtrans-70.3-13.9173.300000113.8L219 E220 Y223 L273 L274 S275 F279L219-A277 HydrophobicContact CB-CB 3.6Å; E220-A277 HydrophobicContact CG-CB 4.35Å; Y223-A277 WeakPolarHBondContact CB-O 3.49Å; Y223-A277 VanDerWaalsContact CD1-O 3.25Å; Y223-A277 WeakPolarHBondContact CD1-O 3.42Å; L273-A277 PolarHBondContact O-N 3.28Å; L274-A277 PolarHBondContact O-N 2.99Å; S275-A277 VanDerWaalsContact C-N 3.35Å; A277-F279 HydrophobicContact CB-CD2 4.18Å; A277-F279 HydrophobicContact CB-CE2 4.36Å
278G98.7Very high98.5Very high10 Ų1060.2 Ų60.210%0.10333%0.325CS..THydrogen-bonded Turntrans114.7-7.9175.800000115.2Y223 L274 S275 S276 R280Y223-G278 WeakPolarHBondContact CE2-O 3.34Å; Y223-G278 PolarHBondContact OH-O 3.39Å; L274-G278 PolarHBondContact O-N 3.32Å; S275-G278 PolarHBondContact O-N 3Å; S275-G278 VanDerWaalsContact O-N 3.08Å; S276-G278 PolarHBondContact O-N 2.9Å; G278-R280 VanDerWaalsContact C-NH1 3.32Å; G278-R280 PolarHBondContact O-NH1 2.82Å
279F98.8Very high98.4Very high3 Ų358.6 Ų58.61%0.01332%0.319CS..  trans-68.1152.7178.5-64.4-81.1000112.1I222 Y223 I232 L274 A277 A296 R297I222-F279 HydrophobicContact CB-CZ 4.47Å; I222-F279 HydrophobicContact CG2-CZ 4.03Å; Y223-F279 AromaticContact CD2-CD1 3.95Å; Y223-F279 HydrophobicContact CD2-CD1 3.95Å; Y223-F279 HydrophobicContact CD2-CD2 4.12Å; Y223-F279 AromaticContact CD2-CE1 3.98Å; Y223-F279 HydrophobicContact CD2-CE1 3.98Å; Y223-F279 HydrophobicContact CD2-CE2 4.16Å; Y223-F279 HydrophobicContact CD2-CG 4.02Å; Y223-F279 HydrophobicContact CD2-CZ 4.09Å; Y223-F279 HydrophobicContact CG-CE2 4.47Å; Y223-F279 HydrophobicContact CG-CZ 4.5Å; I232-F279 HydrophobicContact CB-CD1 4.48Å; I232-F279 HydrophobicContact CB-CE1 3.91Å; I232-F279 HydrophobicContact CB-CZ 3.97Å; I232-F279 HydrophobicContact CD1-CE2 4.15Å; I232-F279 HydrophobicContact CD1-CZ 4.11Å; I232-F279 HydrophobicContact CG2-CD1 3.64Å; I232-F279 HydrophobicContact CG2-CD2 4.13Å; I232-F279 HydrophobicContact CG2-CE1 3.56Å; I232-F279 HydrophobicContact CG2-CE2 4.05Å; I232-F279 HydrophobicContact CG2-CG 3.94Å; I232-F279 HydrophobicContact CG2-CZ 3.77Å; L274-F279 HydrophobicContact CB-CB 4.33Å; L274-F279 HydrophobicContact CD2-CD2 3.92Å; L274-F279 HydrophobicContact CD2-CE2 4.38Å; L274-F279 HydrophobicContact CD2-CG 4.45Å; L274-F279 WeakPolarHBondContact O-CB 3.4Å; L274-F279 PolarHBondContact O-N 2.89Å; A277-F279 HydrophobicContact CB-CD2 4.18Å; A277-F279 HydrophobicContact CB-CE2 4.36Å; F279-A296 HydrophobicContact CB-CB 3.83Å; F279-A296 HydrophobicContact CG-CB 4.42Å; F279-R297 CarbonylContact C-O 3.58Å; F279-R297 WeakPolarHBondContact CA-O 3.36Å
280R98.6Very high98.3Very high132 Ų13259.4 Ų59.450%0.49832%0.324SS..EExtended strand (participates in β ladder)trans-131.7-178.9-179.6-59.1-63.4178.1-100.51.2110.3S275 G278 F282 R297S275-R280 PolarHBondContact O-NH1 3.39Å; G278-R280 VanDerWaalsContact C-NH1 3.32Å; G278-R280 PolarHBondContact O-NH1 2.82Å; R280-F282 PolarHBondContact O-N 2.62Å; R280-R297 PolarHBondContact N-O 3.02Å; R280-R297 PolarHBondContact O-N 2.92Å
281D98.4Very high98.3Very high116 Ų11659.7 Ų59.762%0.6233%0.325SS*.EExtended strand (participates in β ladder)trans53.537.2177.8-53.8-36.1000114.2Q283 R297D281-Q283 PolarHBondContact O-N 3.34Å; D281-Q283 PolarHBondContact O-NE2 2.98Å; D281-R297 HydrophobicContact CB-CB 4.42Å; D281-R297 HydrophobicContact CB-CG 4.25Å
282F98.8Very high98.3Very high42 Ų4256.2 Ų56.218%0.18431%0.309CS..EExtended strand (participates in β ladder)trans-56.2126.1-179.1174.2-89.4000111.4P267 H271 L274 R280 F284 I294P267-F282 WeakPolarHBondContact O-CZ 3.18Å; H271-F282 HydrophobicContact CB-CD1 3.9Å; H271-F282 HydrophobicContact CB-CD2 3.87Å; H271-F282 HydrophobicContact CB-CE1 3.85Å; H271-F282 HydrophobicContact CB-CE2 3.79Å; H271-F282 HydrophobicContact CB-CG 3.92Å; H271-F282 HydrophobicContact CB-CZ 3.8Å; H271-F282 AromaticContact CD2-CG 3.7Å; H271-F282 AromaticContact CG-CD1 3.81Å; H271-F282 AromaticContact CG-CG 3.75Å; L274-F282 HydrophobicContact CD1-CD2 3.81Å; L274-F282 HydrophobicContact CD1-CE2 3.9Å; R280-F282 PolarHBondContact O-N 2.62Å; F282-F284 HydrophobicContact CE1-CB 4.44Å; F282-F284 AromaticContact CE1-CD1 3.83Å; F282-F284 HydrophobicContact CE1-CD1 3.83Å; F282-F284 HydrophobicContact CZ-CB 4.28Å; F282-F284 HydrophobicContact CZ-CD1 4.32Å; F282-I294 HydrophobicContact CD2-CG2 3.89Å; F282-I294 HydrophobicContact CE2-CD1 4.45Å; F282-I294 HydrophobicContact CE2-CG1 4.3Å; F282-I294 HydrophobicContact CE2-CG2 3.41Å; F282-I294 VanDerWaalsContact CE2-CG2 3.41Å; F282-I294 HydrophobicContact CZ-CG1 4.34Å; F282-I294 HydrophobicContact CZ-CG2 4.18Å
283Q98.8Very high98.3Very high97 Ų9751 Ų5145%0.45328%0.284SS..EExtended strand (participates in β ladder)trans-136.5146.9174.3-68.3165.861.100109.1F175 D281 I294 L295F175-Q283 HydrophobicContact CE1-CB 3.76Å; F175-Q283 HydrophobicContact CZ-CB 4.02Å; D281-Q283 PolarHBondContact O-N 3.34Å; D281-Q283 PolarHBondContact O-NE2 2.98Å; Q283-I294 CarbonylContact O-C 3.59Å; Q283-I294 VanDerWaalsContact O-CA 3.31Å; Q283-I294 WeakPolarHBondContact O-CA 3.43Å; Q283-L295 PolarHBondContact N-O 3.49Å; Q283-L295 PolarHBondContact O-N 2.88Å
284F98.8Very high98.3Very high89 Ų8950.7 Ų50.739%0.3928%0.282SS..EExtended strand (participates in β ladder)trans-134.1154.3170.876.8-82.9000110.8L238 P267 F282 K286 A293 I294L238-F284 HydrophobicContact CD1-CB 4.27Å; L238-F284 HydrophobicContact CD1-CD2 3.7Å; L238-F284 HydrophobicContact CD1-CG 4.34Å; P267-F284 HydrophobicContact CB-CD1 3.88Å; P267-F284 HydrophobicContact CB-CD2 4.26Å; P267-F284 HydrophobicContact CB-CE1 3.83Å; P267-F284 HydrophobicContact CB-CE2 4.22Å; P267-F284 HydrophobicContact CB-CG 4.09Å; P267-F284 HydrophobicContact CB-CZ 4Å; P267-F284 HydrophobicContact CG-CD2 4.06Å; P267-F284 HydrophobicContact CG-CE1 4.28Å; P267-F284 HydrophobicContact CG-CE2 3.81Å; P267-F284 HydrophobicContact CG-CG 4.39Å; P267-F284 HydrophobicContact CG-CZ 3.93Å; F282-F284 HydrophobicContact CE1-CB 4.44Å; F282-F284 AromaticContact CE1-CD1 3.83Å; F282-F284 HydrophobicContact CE1-CD1 3.83Å; F282-F284 HydrophobicContact CZ-CB 4.28Å; F282-F284 HydrophobicContact CZ-CD1 4.32Å; F284-K286 HydrophobicContact CE2-CG 4.37Å; F284-A293 CarbonylContact C-O 3.56Å; F284-A293 VanDerWaalsContact CA-O 3.28Å; F284-A293 WeakPolarHBondContact CA-O 3.48Å; F284-I294 HydrophobicContact CB-CG1 3.66Å
285K98.8Very high98.3Very high105 Ų10551.1 Ų51.146%0.45728%0.284SS..EExtended strand (participates in β ladder)trans-133.1112.3178.8-68.5-72.9-173.1172.50108.7A174 F175 T287 D292 A293A174-K285 HydrophobicContact CB-CB 3.99Å; A174-K285 HydrophobicContact CB-CG 4.23Å; F175-K285 HydrophobicContact CE1-CG 3.92Å; F175-K285 HydrophobicContact CE2-CG 4.06Å; F175-K285 HydrophobicContact CZ-CB 4.39Å; F175-K285 HydrophobicContact CZ-CG 3.61Å; K285-T287 PolarHBondContact O-N 2.82Å; K285-D292 WeakPolarHBondContact O-CB 3.24Å; K285-A293 PolarHBondContact N-O 2.76Å; K285-A293 PolarHBondContact O-N 3.05Å
286K98.4Very high98.3Very high94 Ų9449 Ų4941%0.40927%0.269SS..  trans-69.4122.4164-75.8-157.1172.3-161.90109.1D240 F284 D292D240-K286 IonicContact OD1-NZ 3.63Å; D240-K286 PolarHBondContact OD1-NZ 3.01Å; F284-K286 HydrophobicContact CE2-CG 4.37Å; K286-D292 WeakPolarHBondContact CA-OD1 3.43Å
287T97.7Very high98.3Very high39 Ų3947.8 Ų47.824%0.23925%0.25CS..  trans-87-15.7-174.5630000112.7V171 K285 A289 Y291 D292V171-T287 HydrophobicContact CG1-CG2 4.13Å; K285-T287 PolarHBondContact O-N 2.82Å; T287-A289 PolarHBondContact O-N 3.07Å; T287-A289 WeakPolarHBondContact OG1-CB 3.31Å; T287-A289 PolarHBondContact OG1-N 3.2Å; T287-Y291 WeakPolarHBondContact CG2-O 3.49Å; T287-Y291 PolarHBondContact OG1-O 3.16Å; T287-D292 PolarHBondContact N-OD1 3.39Å
288G95.9Very high98.3Very high83 Ų8351.1 Ų51.186%0.85626%0.263SS*.SBendtrans78.21.2-16700000113.4
289A96.3Very high98.3Very high36 Ų3653.2 Ų53.230%0.29827%0.271SS..SBendtrans-100.5-166.5171.700000111.3N167 T287N167-A289 WeakPolarHBondContact ND2-CB 3.36Å; T287-A289 PolarHBondContact O-N 3.07Å; T287-A289 WeakPolarHBondContact OG1-CB 3.31Å; T287-A289 PolarHBondContact OG1-N 3.2Å
290I97.3Very high98.3Very high51 Ų5155.8 Ų55.826%0.26229%0.285SS..SBendtrans-70.9-43.8178.1-62.3176.8000111.1S237 L248 Y252S237-I290 VanDerWaalsContact CB-O 3.26Å; S237-I290 WeakPolarHBondContact CB-O 3.47Å; S237-I290 PolarHBondContact OG-O 3.37Å; L248-I290 HydrophobicContact CD2-CD1 3.95Å; L248-I290 HydrophobicContact CD2-CG1 3.88Å; L248-I290 HydrophobicContact CD2-CG2 4.4Å; Y252-I290 HydrophobicContact CD2-CG2 4.5Å; Y252-I290 HydrophobicContact CE2-CG2 3.63Å
291Y98.6Very high98.2Very high7 Ų751.6 Ų51.63%0.02727%0.273CS..  trans-103.6140.6-178.4-62.8-71.8000111.5V163 W164 N167 V171 R205 T287V163-Y291 HydrophobicContact CB-CE2 4.21Å; V163-Y291 HydrophobicContact CG1-CD2 4.37Å; V163-Y291 HydrophobicContact CG1-CE2 3.71Å; V163-Y291 HydrophobicContact CG2-CD2 4.03Å; V163-Y291 HydrophobicContact CG2-CE2 3.57Å; W164-Y291 HydrophobicContact CH2-CD2 4.24Å; W164-Y291 HydrophobicContact CH2-CE2 4.45Å; W164-Y291 HydrophobicContact CH2-CG 4.35Å; W164-Y291 AromaticContact CZ3-CD2 3.89Å; W164-Y291 HydrophobicContact CZ3-CD2 3.89Å; W164-Y291 HydrophobicContact CZ3-CE2 4.41Å; W164-Y291 HydrophobicContact CZ3-CG 4.16Å; N167-Y291 HydrophobicContact CB-CD2 4.48Å; V171-Y291 WeakPolarHBondContact CG1-O 3.43Å; R205-Y291 VanDerWaalsContact CD-CZ 3.47Å; R205-Y291 VanDerWaalsContact CD-OH 3.32Å; R205-Y291 WeakPolarHBondContact CD-OH 3.32Å; R205-Y291 HydrophobicContact CG-CD1 4.2Å; R205-Y291 HydrophobicContact CG-CE1 3.54Å; R205-Y291 PolarHBondContact NE-OH 3.28Å; R205-Y291 VanDerWaalsContact NE-OH 3.17Å; T287-Y291 WeakPolarHBondContact CG2-O 3.49Å; T287-Y291 PolarHBondContact OG1-O 3.16Å
292D98.8Very high98.2Very high8 Ų847.8 Ų47.84%0.04325%0.253CS..EExtended strand (participates in β ladder)trans-115.2169.8178.9-59.5-54.4000110I235 E236 L238 K285 K286 T287I235-D292 WeakPolarHBondContact CA-O 3.16Å; E236-D292 PolarHBondContact N-O 3.48Å; E236-D292 PolarHBondContact O-N 3.23Å; L238-D292 HydrophobicContact CB-CB 4.41Å; L238-D292 VanDerWaalsContact CB-OD2 3.31Å; L238-D292 WeakPolarHBondContact CB-OD2 3.46Å; L238-D292 HydrophobicContact CD1-CB 3.45Å; L238-D292 VanDerWaalsContact CD1-CB 3.45Å; L238-D292 HydrophobicContact CG-CB 3.71Å; L238-D292 PolarHBondContact N-OD2 3.19Å; L238-D292 VanDerWaalsContact N-OD2 3.15Å; K285-D292 WeakPolarHBondContact O-CB 3.24Å; K286-D292 WeakPolarHBondContact CA-OD1 3.43Å; T287-D292 PolarHBondContact N-OD1 3.39Å
293A98.9Very high98.2Very high0 Ų048.2 Ų48.20%026%0.257CS..EExtended strand (participates in β ladder)trans-120.7135.3-178.600000111.3A174 F175 L233 F284 K285A174-A293 HydrophobicContact CB-CB 3.6Å; F175-A293 HydrophobicContact CD2-CB 4.26Å; F175-A293 HydrophobicContact CE2-CB 3.86Å; L233-A293 HydrophobicContact CD1-CB 4.22Å; F284-A293 CarbonylContact C-O 3.56Å; F284-A293 VanDerWaalsContact CA-O 3.28Å; F284-A293 WeakPolarHBondContact CA-O 3.48Å; K285-A293 PolarHBondContact N-O 2.76Å; K285-A293 PolarHBondContact O-N 3.05Å
294I98.9Very high98.2Very high2 Ų244.9 Ų44.91%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-119.1132.4170.9-70.9158.2000108.3L233 V234 L238 Y270 L274 F282 Q283 F284L233-I294 CarbonylContact C-O 3.35Å; L233-I294 WeakPolarHBondContact CA-O 3.48Å; V234-I294 HydrophobicContact CB-CB 4.09Å; V234-I294 HydrophobicContact CB-CG2 4.44Å; V234-I294 HydrophobicContact CG1-CD1 4.41Å; V234-I294 PolarHBondContact N-O 2.96Å; V234-I294 PolarHBondContact O-N 3.28Å; L238-I294 HydrophobicContact CD2-CD1 3.67Å; L238-I294 HydrophobicContact CD2-CG1 4.39Å; Y270-I294 HydrophobicContact CD1-CD1 4.45Å; Y270-I294 HydrophobicContact CD2-CD1 3.57Å; Y270-I294 HydrophobicContact CE2-CD1 4.33Å; Y270-I294 HydrophobicContact CG-CD1 3.64Å; L274-I294 HydrophobicContact CD1-CG2 3.65Å; F282-I294 HydrophobicContact CD2-CG2 3.89Å; F282-I294 HydrophobicContact CE2-CD1 4.45Å; F282-I294 HydrophobicContact CE2-CG1 4.3Å; F282-I294 HydrophobicContact CE2-CG2 3.41Å; F282-I294 VanDerWaalsContact CE2-CG2 3.41Å; F282-I294 HydrophobicContact CZ-CG1 4.34Å; F282-I294 HydrophobicContact CZ-CG2 4.18Å; Q283-I294 CarbonylContact O-C 3.59Å; Q283-I294 VanDerWaalsContact O-CA 3.31Å; Q283-I294 WeakPolarHBondContact O-CA 3.43Å; F284-I294 HydrophobicContact CB-CG1 3.66Å
295L98.9Very high98.1Very high11 Ų1141.8 Ų41.86%0.05823%0.234CC..EExtended strand (participates in β ladder)trans-122.3131.5173-178.164.4000109.7F175 F180 L200 I232 Q283F175-L295 HydrophobicContact CB-CD2 3.92Å; F175-L295 HydrophobicContact CD1-CB 4.12Å; F175-L295 HydrophobicContact CD1-CD2 3.88Å; F175-L295 HydrophobicContact CD2-CB 3.78Å; F175-L295 HydrophobicContact CD2-CD2 4.32Å; F175-L295 HydrophobicContact CE1-CB 4Å; F175-L295 HydrophobicContact CE1-CD2 4.48Å; F175-L295 HydrophobicContact CE2-CB 3.65Å; F175-L295 HydrophobicContact CG-CB 4.01Å; F175-L295 HydrophobicContact CG-CD2 3.78Å; F175-L295 HydrophobicContact CZ-CB 3.76Å; F180-L295 HydrophobicContact CE2-CD1 4.29Å; F180-L295 HydrophobicContact CZ-CD1 4.3Å; L200-L295 HydrophobicContact CD1-CD1 4.04Å; I232-L295 WeakPolarHBondContact O-CA 3.44Å; Q283-L295 PolarHBondContact N-O 3.49Å; Q283-L295 PolarHBondContact O-N 2.88Å
296A98.8Very high98.1Very high1 Ų136.9 Ų36.91%0.00822%0.216CC..EExtended strand (participates in β ladder)trans-136.1158.8169.900000110.4G231 I232 L274 F279G231-A296 WeakPolarHBondContact CA-O 3.37Å; I232-A296 HydrophobicContact CG2-CB 3.99Å; I232-A296 PolarHBondContact N-O 2.8Å; I232-A296 PolarHBondContact O-N 2.91Å; I232-A296 VanDerWaalsContact O-N 3.12Å; L274-A296 HydrophobicContact CD1-CB 4.2Å; F279-A296 HydrophobicContact CB-CB 3.83Å; F279-A296 HydrophobicContact CG-CB 4.42Å
297R98.6Very high98Very high69 Ų6932.2 Ų32.226%0.2620%0.2SC..EExtended strand (participates in β ladder)trans-124.7157.6-169.1-54.1-59.9-71.9-93.33.6112.2F180 G229 G230 F279 R280 D281F180-R297 VanDerWaalsContact CE1-NH2 3.33Å; G229-R297 PolarHBondContact O-NE 3.01Å; G229-R297 PolarHBondContact O-NH2 2.65Å; G230-R297 WeakPolarHBondContact O-CA 3.19Å; G230-R297 PolarHBondContact O-NE 3.15Å; F279-R297 CarbonylContact C-O 3.58Å; F279-R297 WeakPolarHBondContact CA-O 3.36Å; R280-R297 PolarHBondContact N-O 3.02Å; R280-R297 PolarHBondContact O-N 2.92Å; D281-R297 HydrophobicContact CB-CB 4.42Å; D281-R297 HydrophobicContact CB-CG 4.25Å
298K97.7Very high98.1Very high79 Ų7931.5 Ų31.534%0.34320%0.197SC..  trans-100.70167.8179.4169.8-176.8179.40111.4Y223 C226 G229 G230Y223-K298 HydrophobicContact CD2-CB 4.37Å; Y223-K298 HydrophobicContact CD2-CD 4.11Å; Y223-K298 HydrophobicContact CD2-CG 4.22Å; Y223-K298 HydrophobicContact CE2-CB 3.99Å; Y223-K298 HydrophobicContact CE2-CD 3.83Å; Y223-K298 HydrophobicContact CE2-CG 3.58Å; Y223-K298 WeakPolarHBondContact O-CD 3.45Å; Y223-K298 WeakPolarHBondContact O-CE 3.29Å; Y223-K298 PolarHBondContact O-NZ 2.77Å; C226-K298 HydrophobicContact CB-CB 4.18Å; C226-K298 HydrophobicContact CB-CD 3.62Å; C226-K298 WeakPolarHBondContact O-CD 3.48Å; C226-K298 WeakPolarHBondContact O-CE 3.34Å; C226-K298 PolarHBondContact O-NZ 3.07Å; G229-K298 WeakPolarHBondContact CA-O 3.41Å; G229-K298 PolarHBondContact N-O 3.21Å; G230-K298 PolarHBondContact O-N 3.11Å

Retrieved 298 of 298 residues in 67.1 ms (Link to these results)

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